data_15358 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15358 _Entry.Title ; structure of caenopore-5 (99 Pro trans) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-02 _Entry.Accession_date 2007-07-02 _Entry.Last_release_date 2007-07-02 _Entry.Original_release_date 2007-07-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Justyna Mysliwy . . . . 15358 2 Joachim Grotzinger . . . . 15358 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID caenopore-5 . 15358 'saposin-like fold' . 15358 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15358 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 15358 '15N chemical shifts' 84 15358 '1H chemical shifts' 529 15358 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 . . 2010-02-16 2007-07-02 update BMRB 'complete entry citation' 15358 1 . . 2009-10-12 2007-07-02 original author 'original release' 15358 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15330 'caenopore5 cis monomer' 15358 PDB 2JSA 'BMRB Entry Tracking System' 15358 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15358 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19917307 _Citation.Full_citation . _Citation.Title ; Caenopore-5: the three-dimensional structure of an antimicrobial protein from Caenorhabditis elegans. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Dev. Comp. Immunol.' _Citation.Journal_name_full 'Developmental and comparative immunology' _Citation.Journal_volume 34 _Citation.Journal_issue 3 _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 323 _Citation.Page_last 330 _Citation.Year 2010 _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 Justyna Mysliwy . . . . 15358 1 2 Andrew Dingley . J. . . 15358 1 3 Mareike Stanisak . . . . 15358 1 4 Sascha Jung . . . . 15358 1 5 Inken Lorenzen . . . . 15358 1 6 Thomas Roeder . . . . 15358 1 7 Matthias Leippe . . . . 15358 1 8 Joachim Grotzinger . . . . 15358 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID caenopore-5 15358 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15358 _Assembly.ID 1 _Assembly.Name 'caenopore5 monomer' _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 . _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 'caenopore-5 Pro trans conformer' 1 $caenopore-5 A . yes native yes no . . 'Proline 99 in trans conformation' 15358 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide 1 . 1 'caenopore-5 Pro trans conformer' 1 CYS 24 24 SG . 1 'caenopore-5 Pro trans conformer' 1 CYS 98 98 SG . 'caenopore-5 Pro trans conformer' . 24 cys SG . 'caenopore-5 Pro trans conformer' . 98 cys SG 15358 1 2 disulphide 1 . 1 'caenopore-5 Pro trans conformer' 1 CYS 27 27 SG . 1 'caenopore-5 Pro trans conformer' 1 CYS 92 92 SG . 'caenopore-5 Pro trans conformer' . 27 cys SG . 'caenopore-5 Pro trans conformer' . 92 cys SG 15358 1 3 disulphide 1 . 1 'caenopore-5 Pro trans conformer' 1 CYS 53 53 SG . 1 'caenopore-5 Pro trans conformer' 1 CYS 67 67 SG . 'caenopore-5 Pro trans conformer' . 53 cys SG . 'caenopore-5 Pro trans conformer' . 67 cys SG 15358 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_caenopore-5 _Entity.Sf_category entity _Entity.Sf_framecode caenopore-5 _Entity.Entry_ID 15358 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name caenopore-5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSGSHHHHHHSSGIEGRGRS ALSCQMCELVVKKYEGSADK DANVIKKDFDAECKKLFHTI PFGTRECDHYVNSKVDPIIH ELEGGTAPKDVCTKLNECP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-18 a non-native affinity tag' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . MET . 15358 1 2 . SER . 15358 1 3 . GLY . 15358 1 4 . SER . 15358 1 5 . HIS . 15358 1 6 . HIS . 15358 1 7 . HIS . 15358 1 8 . HIS . 15358 1 9 . HIS . 15358 1 10 . HIS . 15358 1 11 . SER . 15358 1 12 . SER . 15358 1 13 . GLY . 15358 1 14 . ILE . 15358 1 15 . GLU . 15358 1 16 . GLY . 15358 1 17 . ARG . 15358 1 18 . GLY . 15358 1 19 . ARG . 15358 1 20 . SER . 15358 1 21 . ALA . 15358 1 22 . LEU . 15358 1 23 . SER . 15358 1 24 . CYS . 15358 1 25 . GLN . 15358 1 26 . MET . 15358 1 27 . CYS . 15358 1 28 . GLU . 15358 1 29 . LEU . 15358 1 30 . VAL . 15358 1 31 . VAL . 15358 1 32 . LYS . 15358 1 33 . LYS . 15358 1 34 . TYR . 15358 1 35 . GLU . 15358 1 36 . GLY . 15358 1 37 . SER . 15358 1 38 . ALA . 15358 1 39 . ASP . 15358 1 40 . LYS . 15358 1 41 . ASP . 15358 1 42 . ALA . 15358 1 43 . ASN . 15358 1 44 . VAL . 15358 1 45 . ILE . 15358 1 46 . LYS . 15358 1 47 . LYS . 15358 1 48 . ASP . 15358 1 49 . PHE . 15358 1 50 . ASP . 15358 1 51 . ALA . 15358 1 52 . GLU . 15358 1 53 . CYS . 15358 1 54 . LYS . 15358 1 55 . LYS . 15358 1 56 . LEU . 15358 1 57 . PHE . 15358 1 58 . HIS . 15358 1 59 . THR . 15358 1 60 . ILE . 15358 1 61 . PRO . 15358 1 62 . PHE . 15358 1 63 . GLY . 15358 1 64 . THR . 15358 1 65 . ARG . 15358 1 66 . GLU . 15358 1 67 . CYS . 15358 1 68 . ASP . 15358 1 69 . HIS . 15358 1 70 . TYR . 15358 1 71 . VAL . 15358 1 72 . ASN . 15358 1 73 . SER . 15358 1 74 . LYS . 15358 1 75 . VAL . 15358 1 76 . ASP . 15358 1 77 . PRO . 15358 1 78 . ILE . 15358 1 79 . ILE . 15358 1 80 . HIS . 15358 1 81 . GLU . 15358 1 82 . LEU . 15358 1 83 . GLU . 15358 1 84 . GLY . 15358 1 85 . GLY . 15358 1 86 . THR . 15358 1 87 . ALA . 15358 1 88 . PRO . 15358 1 89 . LYS . 15358 1 90 . ASP . 15358 1 91 . VAL . 15358 1 92 . CYS . 15358 1 93 . THR . 15358 1 94 . LYS . 15358 1 95 . LEU . 15358 1 96 . ASN . 15358 1 97 . GLU . 15358 1 98 . CYS . 15358 1 99 . PRO . 15358 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15358 1 . SER 2 2 15358 1 . GLY 3 3 15358 1 . SER 4 4 15358 1 . HIS 5 5 15358 1 . HIS 6 6 15358 1 . HIS 7 7 15358 1 . HIS 8 8 15358 1 . HIS 9 9 15358 1 . HIS 10 10 15358 1 . SER 11 11 15358 1 . SER 12 12 15358 1 . GLY 13 13 15358 1 . ILE 14 14 15358 1 . GLU 15 15 15358 1 . GLY 16 16 15358 1 . ARG 17 17 15358 1 . GLY 18 18 15358 1 . ARG 19 19 15358 1 . SER 20 20 15358 1 . ALA 21 21 15358 1 . LEU 22 22 15358 1 . SER 23 23 15358 1 . CYS 24 24 15358 1 . GLN 25 25 15358 1 . MET 26 26 15358 1 . CYS 27 27 15358 1 . GLU 28 28 15358 1 . LEU 29 29 15358 1 . VAL 30 30 15358 1 . VAL 31 31 15358 1 . LYS 32 32 15358 1 . LYS 33 33 15358 1 . TYR 34 34 15358 1 . GLU 35 35 15358 1 . GLY 36 36 15358 1 . SER 37 37 15358 1 . ALA 38 38 15358 1 . ASP 39 39 15358 1 . LYS 40 40 15358 1 . ASP 41 41 15358 1 . ALA 42 42 15358 1 . ASN 43 43 15358 1 . VAL 44 44 15358 1 . ILE 45 45 15358 1 . LYS 46 46 15358 1 . LYS 47 47 15358 1 . ASP 48 48 15358 1 . PHE 49 49 15358 1 . ASP 50 50 15358 1 . ALA 51 51 15358 1 . GLU 52 52 15358 1 . CYS 53 53 15358 1 . LYS 54 54 15358 1 . LYS 55 55 15358 1 . LEU 56 56 15358 1 . PHE 57 57 15358 1 . HIS 58 58 15358 1 . THR 59 59 15358 1 . ILE 60 60 15358 1 . PRO 61 61 15358 1 . PHE 62 62 15358 1 . GLY 63 63 15358 1 . THR 64 64 15358 1 . ARG 65 65 15358 1 . GLU 66 66 15358 1 . CYS 67 67 15358 1 . ASP 68 68 15358 1 . HIS 69 69 15358 1 . TYR 70 70 15358 1 . VAL 71 71 15358 1 . ASN 72 72 15358 1 . SER 73 73 15358 1 . LYS 74 74 15358 1 . VAL 75 75 15358 1 . ASP 76 76 15358 1 . PRO 77 77 15358 1 . ILE 78 78 15358 1 . ILE 79 79 15358 1 . HIS 80 80 15358 1 . GLU 81 81 15358 1 . LEU 82 82 15358 1 . GLU 83 83 15358 1 . GLY 84 84 15358 1 . GLY 85 85 15358 1 . THR 86 86 15358 1 . ALA 87 87 15358 1 . PRO 88 88 15358 1 . LYS 89 89 15358 1 . ASP 90 90 15358 1 . VAL 91 91 15358 1 . CYS 92 92 15358 1 . THR 93 93 15358 1 . LYS 94 94 15358 1 . LEU 95 95 15358 1 . ASN 96 96 15358 1 . GLU 97 97 15358 1 . CYS 98 98 15358 1 . PRO 99 99 15358 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 15358 _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 $caenopore-5 . . organism . 'Caenorhabditis elegans' . . . . . Caenorhabditis elegans . . . . . . . . . . . . . 15358 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 15358 _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 $caenopore-5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pIVEX2.4a . . . 15358 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15358 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 caenopore-5 '[U-99% 13C; U-99% 15N]' . . 1 $caenopore-5 . . . 1 2 mM . . . . 15358 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15358 1 3 H2O . . . . . . . 93 . . % . . . . 15358 1 4 D2O . . . . . . . 7 . . % . . . . 15358 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample1_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample1_conditions _Sample_condition_list.Entry_ID 15358 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 15358 1 pH 5.2 . pH 15358 1 pressure 1 . atm 15358 1 temperature 297 . K 15358 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15358 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15358 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15358 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15358 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15358 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15358 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15358 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15358 1 2 spectrometer_2 Varian INOVA . 600 . . . 15358 1 3 spectrometer_3 Varian INOVA . 500 . . . 15358 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 15358 _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 $sample1_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15358 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15358 1 3 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15358 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15358 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15358 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15358 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15358 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15358 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 15358 _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 carbons' . . . . ppm 0 external indirect 0.251449530 . . . . . 15358 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 15358 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . 15358 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 15358 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample1_conditions _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 '3D 1H-15N NOESY' . . . 15358 1 2 '3D 1H-13C NOESY' . . . 15358 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.Ambiguity_set_ID _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 12 12 SER H H 1 8.509 . . 1 . . . . . 12 SER HN . 15358 1 2 . 1 1 12 12 SER HA H 1 4.430 . . 1 . . . . . 12 SER HA . 15358 1 3 . 1 1 12 12 SER HB2 H 1 3.825 . . 2 . . . . . 12 SER HB1 . 15358 1 4 . 1 1 12 12 SER N N 15 118.485 . . 1 . . . . . 12 SER N . 15358 1 5 . 1 1 13 13 GLY H H 1 8.404 . . 1 . . . . . 13 GLY HN . 15358 1 6 . 1 1 13 13 GLY HA2 H 1 3.934 . . 2 . . . . . 13 GLY HA1 . 15358 1 7 . 1 1 13 13 GLY N N 15 111.084 . . 1 . . . . . 13 GLY N . 15358 1 8 . 1 1 14 14 ILE H H 1 8.006 . . 1 . . . . . 14 ILE HN . 15358 1 9 . 1 1 14 14 ILE HA H 1 4.086 . . 1 . . . . . 14 ILE HA . 15358 1 10 . 1 1 14 14 ILE HB H 1 1.783 . . 1 . . . . . 14 ILE HB . 15358 1 11 . 1 1 14 14 ILE HG21 H 1 0.810 . . 1 . . . . . 14 ILE HG2 . 15358 1 12 . 1 1 14 14 ILE HG22 H 1 0.810 . . 1 . . . . . 14 ILE HG2 . 15358 1 13 . 1 1 14 14 ILE HG23 H 1 0.810 . . 1 . . . . . 14 ILE HG2 . 15358 1 14 . 1 1 14 14 ILE N N 15 119.966 . . 1 . . . . . 14 ILE N . 15358 1 15 . 1 1 15 15 GLU H H 1 8.528 . . 1 . . . . . 15 GLU HN . 15358 1 16 . 1 1 15 15 GLU HA H 1 4.197 . . 1 . . . . . 15 GLU HA . 15358 1 17 . 1 1 15 15 GLU HB2 H 1 1.906 . . 2 . . . . . 15 GLU HB1 . 15358 1 18 . 1 1 15 15 GLU HG2 H 1 2.226 . . 2 . . . . . 15 GLU HG1 . 15358 1 19 . 1 1 15 15 GLU N N 15 124.654 . . 1 . . . . . 15 GLU N . 15358 1 20 . 1 1 16 16 GLY H H 1 8.343 . . 1 . . . . . 16 GLY HN . 15358 1 21 . 1 1 16 16 GLY HA2 H 1 3.876 . . 2 . . . . . 16 GLY HA1 . 15358 1 22 . 1 1 16 16 GLY N N 15 110.097 . . 1 . . . . . 16 GLY N . 15358 1 23 . 1 1 17 17 ARG H H 1 8.143 . . 1 . . . . . 17 ARG HN . 15358 1 24 . 1 1 17 17 ARG HA H 1 4.319 . . 1 . . . . . 17 ARG HA . 15358 1 25 . 1 1 17 17 ARG HB2 H 1 1.701 . . 2 . . . . . 17 ARG HB1 . 15358 1 26 . 1 1 17 17 ARG HB3 H 1 1.830 . . 2 . . . . . 17 ARG HB2 . 15358 1 27 . 1 1 17 17 ARG HG2 H 1 1.575 . . 2 . . . . . 17 ARG HG1 . 15358 1 28 . 1 1 17 17 ARG N N 15 120.459 . . 1 . . . . . 17 ARG N . 15358 1 29 . 1 1 18 18 GLY H H 1 8.477 . . 1 . . . . . 18 GLY HN . 15358 1 30 . 1 1 18 18 GLY HA2 H 1 3.894 . . 2 . . . . . 18 GLY HA1 . 15358 1 31 . 1 1 18 18 GLY N N 15 110.097 . . 1 . . . . . 18 GLY N . 15358 1 32 . 1 1 19 19 ARG H H 1 8.105 . . 1 . . . . . 19 ARG HN . 15358 1 33 . 1 1 19 19 ARG HA H 1 4.283 . . 1 . . . . . 19 ARG HA . 15358 1 34 . 1 1 19 19 ARG HB2 H 1 1.709 . . 2 . . . . . 19 ARG HB1 . 15358 1 35 . 1 1 19 19 ARG HB3 H 1 1.817 . . 2 . . . . . 19 ARG HB2 . 15358 1 36 . 1 1 19 19 ARG HD2 H 1 3.099 . . 2 . . . . . 19 ARG HD1 . 15358 1 37 . 1 1 19 19 ARG HG2 H 1 1.565 . . 2 . . . . . 19 ARG HG1 . 15358 1 38 . 1 1 19 19 ARG CA C 13 56.218 . . 1 . . . . . 19 ARG CA . 15358 1 39 . 1 1 19 19 ARG CB C 13 30.987 . . 1 . . . . . 19 ARG CB . 15358 1 40 . 1 1 19 19 ARG CD C 13 43.168 . . 1 . . . . . 19 ARG CD . 15358 1 41 . 1 1 19 19 ARG CG C 13 27.098 . . 1 . . . . . 19 ARG CG . 15358 1 42 . 1 1 19 19 ARG N N 15 120.706 . . 1 . . . . . 19 ARG N . 15358 1 43 . 1 1 20 20 SER H H 1 8.553 . . 1 . . . . . 20 SER HN . 15358 1 44 . 1 1 20 20 SER HA H 1 4.432 . . 1 . . . . . 20 SER HA . 15358 1 45 . 1 1 20 20 SER HB2 H 1 3.771 . . 2 . . . . . 20 SER HB1 . 15358 1 46 . 1 1 20 20 SER HB3 H 1 3.973 . . 2 . . . . . 20 SER HB2 . 15358 1 47 . 1 1 20 20 SER CA C 13 58.189 . . 1 . . . . . 20 SER CA . 15358 1 48 . 1 1 20 20 SER CB C 13 63.967 . . 1 . . . . . 20 SER CB . 15358 1 49 . 1 1 20 20 SER N N 15 117.992 . . 1 . . . . . 20 SER N . 15358 1 50 . 1 1 21 21 ALA H H 1 8.233 . . 1 . . . . . 21 ALA HN . 15358 1 51 . 1 1 21 21 ALA HA H 1 4.167 . . 1 . . . . . 21 ALA HA . 15358 1 52 . 1 1 21 21 ALA HB1 H 1 1.435 . . 1 . . . . . 21 ALA HB1 . 15358 1 53 . 1 1 21 21 ALA HB2 H 1 1.425 . . 1 . . . . . 21 ALA HB2 . 15358 1 54 . 1 1 21 21 ALA HB3 H 1 1.425 . . 1 . . . . . 21 ALA HB2 . 15358 1 55 . 1 1 21 21 ALA CA C 13 53.662 . . 1 . . . . . 21 ALA CA . 15358 1 56 . 1 1 21 21 ALA CB C 13 18.745 . . 1 . . . . . 21 ALA CB . 15358 1 57 . 1 1 21 21 ALA N N 15 126.792 . . 1 . . . . . 21 ALA N . 15358 1 58 . 1 1 22 22 LEU H H 1 8.402 . . 1 . . . . . 22 LEU HN . 15358 1 59 . 1 1 22 22 LEU HA H 1 4.036 . . 1 . . . . . 22 LEU HA . 15358 1 60 . 1 1 22 22 LEU HB2 H 1 1.433 . . 2 . . . . . 22 LEU HB1 . 15358 1 61 . 1 1 22 22 LEU HB3 H 1 1.416 . . 2 . . . . . 22 LEU HB2 . 15358 1 62 . 1 1 22 22 LEU HD11 H 1 0.491 . . 2 . . . . . 22 LEU HD1 . 15358 1 63 . 1 1 22 22 LEU HD12 H 1 0.491 . . 2 . . . . . 22 LEU HD1 . 15358 1 64 . 1 1 22 22 LEU HD13 H 1 0.491 . . 2 . . . . . 22 LEU HD1 . 15358 1 65 . 1 1 22 22 LEU HG H 1 0.313 . . 1 . . . . . 22 LEU HG . 15358 1 66 . 1 1 22 22 LEU CA C 13 55.382 . . 1 . . . . . 22 LEU CA . 15358 1 67 . 1 1 22 22 LEU CB C 13 42.077 . . 1 . . . . . 22 LEU CB . 15358 1 68 . 1 1 22 22 LEU CD1 C 13 22.389 . . 2 . . . . . 22 LEU CD1 . 15358 1 69 . 1 1 22 22 LEU CG C 13 24.622 . . 1 . . . . . 22 LEU CG . 15358 1 70 . 1 1 22 22 LEU N N 15 121.062 . . 1 . . . . . 22 LEU N . 15358 1 71 . 1 1 23 23 SER H H 1 8.155 . . 1 . . . . . 23 SER HN . 15358 1 72 . 1 1 23 23 SER HA H 1 3.913 . . 1 . . . . . 23 SER HA . 15358 1 73 . 1 1 23 23 SER HB2 H 1 4.079 . . 2 . . . . . 23 SER HB1 . 15358 1 74 . 1 1 23 23 SER HB3 H 1 4.250 . . 2 . . . . . 23 SER HB2 . 15358 1 75 . 1 1 23 23 SER CA C 13 63.166 . . 1 . . . . . 23 SER CA . 15358 1 76 . 1 1 23 23 SER CB C 13 62.894 . . 1 . . . . . 23 SER CB . 15358 1 77 . 1 1 23 23 SER N N 15 114.448 . . 1 . . . . . 23 SER N . 15358 1 78 . 1 1 24 24 CYS H H 1 7.630 . . 1 . . . . . 24 CYS HN . 15358 1 79 . 1 1 24 24 CYS HA H 1 4.389 . . 1 . . . . . 24 CYS HA . 15358 1 80 . 1 1 24 24 CYS HB2 H 1 3.456 . . 2 . . . . . 24 CYS HB1 . 15358 1 81 . 1 1 24 24 CYS HB3 H 1 3.238 . . 2 . . . . . 24 CYS HB2 . 15358 1 82 . 1 1 24 24 CYS CB C 13 37.631 . . 1 . . . . . 24 CYS CB . 15358 1 83 . 1 1 24 24 CYS N N 15 120.980 . . 1 . . . . . 24 CYS N . 15358 1 84 . 1 1 25 25 GLN H H 1 8.056 . . 1 . . . . . 25 GLN HN . 15358 1 85 . 1 1 25 25 GLN HA H 1 4.031 . . 1 . . . . . 25 GLN HA . 15358 1 86 . 1 1 25 25 GLN HB2 H 1 2.082 . . 2 . . . . . 25 GLN HB1 . 15358 1 87 . 1 1 25 25 GLN HB3 H 1 2.035 . . 2 . . . . . 25 GLN HB2 . 15358 1 88 . 1 1 25 25 GLN HE22 H 1 6.828 . . 2 . . . . . 25 GLN HE22 . 15358 1 89 . 1 1 25 25 GLN HG2 H 1 2.469 . . 2 . . . . . 25 GLN HG1 . 15358 1 90 . 1 1 25 25 GLN HG3 H 1 2.331 . . 2 . . . . . 25 GLN HG2 . 15358 1 91 . 1 1 25 25 GLN CA C 13 59.555 . . 1 . . . . . 25 GLN CA . 15358 1 92 . 1 1 25 25 GLN CB C 13 30.148 . . 1 . . . . . 25 GLN CB . 15358 1 93 . 1 1 25 25 GLN CG C 13 35.134 . . 1 . . . . . 25 GLN CG . 15358 1 94 . 1 1 25 25 GLN N N 15 118.033 . . 1 . . . . . 25 GLN N . 15358 1 95 . 1 1 25 25 GLN NE2 N 15 111.084 . . 1 . . . . . 25 GLN NE2 . 15358 1 96 . 1 1 26 26 MET H H 1 8.246 . . 1 . . . . . 26 MET HN . 15358 1 97 . 1 1 26 26 MET HA H 1 3.889 . . 1 . . . . . 26 MET HA . 15358 1 98 . 1 1 26 26 MET HB2 H 1 2.080 . . 2 . . . . . 26 MET HB1 . 15358 1 99 . 1 1 26 26 MET HB3 H 1 2.555 . . 2 . . . . . 26 MET HB2 . 15358 1 100 . 1 1 26 26 MET HE1 H 1 1.608 . . 1 . . . . . 26 MET HE1 . 15358 1 101 . 1 1 26 26 MET HE2 H 1 1.608 . . 1 . . . . . 26 MET HE1 . 15358 1 102 . 1 1 26 26 MET HE3 H 1 1.608 . . 1 . . . . . 26 MET HE1 . 15358 1 103 . 1 1 26 26 MET HG2 H 1 0.738 . . 2 . . . . . 26 MET HG1 . 15358 1 104 . 1 1 26 26 MET HG3 H 1 1.248 . . 2 . . . . . 26 MET HG2 . 15358 1 105 . 1 1 26 26 MET CA C 13 61.790 . . 1 . . . . . 26 MET CA . 15358 1 106 . 1 1 26 26 MET CB C 13 35.426 . . 1 . . . . . 26 MET CB . 15358 1 107 . 1 1 26 26 MET CE C 13 18.497 . . 1 . . . . . 26 MET CE . 15358 1 108 . 1 1 26 26 MET CG C 13 29.853 . . 1 . . . . . 26 MET CG . 15358 1 109 . 1 1 26 26 MET N N 15 118.732 . . 1 . . . . . 26 MET N . 15358 1 110 . 1 1 27 27 CYS H H 1 8.415 . . 1 . . . . . 27 CYS HN . 15358 1 111 . 1 1 27 27 CYS HA H 1 4.100 . . 1 . . . . . 27 CYS HA . 15358 1 112 . 1 1 27 27 CYS HB2 H 1 3.198 . . 2 . . . . . 27 CYS HB1 . 15358 1 113 . 1 1 27 27 CYS HB3 H 1 3.893 . . 2 . . . . . 27 CYS HB2 . 15358 1 114 . 1 1 27 27 CYS CA C 13 61.807 . . 1 . . . . . 27 CYS CA . 15358 1 115 . 1 1 27 27 CYS CB C 13 42.874 . . 1 . . . . . 27 CYS CB . 15358 1 116 . 1 1 27 27 CYS N N 15 121.237 . . 1 . . . . . 27 CYS N . 15358 1 117 . 1 1 28 28 GLU H H 1 8.581 . . 1 . . . . . 28 GLU HN . 15358 1 118 . 1 1 28 28 GLU HA H 1 3.974 . . 1 . . . . . 28 GLU HA . 15358 1 119 . 1 1 28 28 GLU HB2 H 1 2.012 . . 2 . . . . . 28 GLU HB1 . 15358 1 120 . 1 1 28 28 GLU HB3 H 1 2.007 . . 2 . . . . . 28 GLU HB2 . 15358 1 121 . 1 1 28 28 GLU HG2 H 1 2.601 . . 2 . . . . . 28 GLU HG1 . 15358 1 122 . 1 1 28 28 GLU HG3 H 1 2.281 . . 2 . . . . . 28 GLU HG2 . 15358 1 123 . 1 1 28 28 GLU CA C 13 59.558 . . 1 . . . . . 28 GLU CA . 15358 1 124 . 1 1 28 28 GLU CG C 13 36.507 . . 1 . . . . . 28 GLU CG . 15358 1 125 . 1 1 28 28 GLU N N 15 118.019 . . 1 . . . . . 28 GLU N . 15358 1 126 . 1 1 29 29 LEU H H 1 7.881 . . 1 . . . . . 29 LEU HN . 15358 1 127 . 1 1 29 29 LEU HA H 1 4.346 . . 1 . . . . . 29 LEU HA . 15358 1 128 . 1 1 29 29 LEU HB2 H 1 1.833 . . 2 . . . . . 29 LEU HB1 . 15358 1 129 . 1 1 29 29 LEU HB3 H 1 2.270 . . 2 . . . . . 29 LEU HB2 . 15358 1 130 . 1 1 29 29 LEU HD11 H 1 0.917 . . 2 . . . . . 29 LEU HD1 . 15358 1 131 . 1 1 29 29 LEU HD12 H 1 0.917 . . 2 . . . . . 29 LEU HD1 . 15358 1 132 . 1 1 29 29 LEU HD13 H 1 0.917 . . 2 . . . . . 29 LEU HD1 . 15358 1 133 . 1 1 29 29 LEU HD21 H 1 0.673 . . 2 . . . . . 29 LEU HD2 . 15358 1 134 . 1 1 29 29 LEU HD22 H 1 0.673 . . 2 . . . . . 29 LEU HD2 . 15358 1 135 . 1 1 29 29 LEU HD23 H 1 0.673 . . 2 . . . . . 29 LEU HD2 . 15358 1 136 . 1 1 29 29 LEU HG H 1 1.752 . . 1 . . . . . 29 LEU HG . 15358 1 137 . 1 1 29 29 LEU CA C 13 57.877 . . 1 . . . . . 29 LEU CA . 15358 1 138 . 1 1 29 29 LEU CB C 13 42.067 . . 1 . . . . . 29 LEU CB . 15358 1 139 . 1 1 29 29 LEU CD1 C 13 23.778 . . 2 . . . . . 29 LEU CD1 . 15358 1 140 . 1 1 29 29 LEU CD2 C 13 24.877 . . 2 . . . . . 29 LEU CD2 . 15358 1 141 . 1 1 29 29 LEU CG C 13 27.364 . . 1 . . . . . 29 LEU CG . 15358 1 142 . 1 1 29 29 LEU N N 15 122.680 . . 1 . . . . . 29 LEU N . 15358 1 143 . 1 1 30 30 VAL H H 1 8.251 . . 1 . . . . . 30 VAL HN . 15358 1 144 . 1 1 30 30 VAL HA H 1 3.315 . . 1 . . . . . 30 VAL HA . 15358 1 145 . 1 1 30 30 VAL HB H 1 2.505 . . 1 . . . . . 30 VAL HB . 15358 1 146 . 1 1 30 30 VAL HG11 H 1 0.767 . . 2 . . . . . 30 VAL HG1 . 15358 1 147 . 1 1 30 30 VAL HG12 H 1 0.767 . . 2 . . . . . 30 VAL HG1 . 15358 1 148 . 1 1 30 30 VAL HG13 H 1 0.767 . . 2 . . . . . 30 VAL HG1 . 15358 1 149 . 1 1 30 30 VAL HG21 H 1 0.718 . . 2 . . . . . 30 VAL HG2 . 15358 1 150 . 1 1 30 30 VAL HG22 H 1 0.718 . . 2 . . . . . 30 VAL HG2 . 15358 1 151 . 1 1 30 30 VAL HG23 H 1 0.718 . . 2 . . . . . 30 VAL HG2 . 15358 1 152 . 1 1 30 30 VAL CA C 13 64.085 . . 1 . . . . . 30 VAL CA . 15358 1 153 . 1 1 30 30 VAL CB C 13 32.374 . . 1 . . . . . 30 VAL CB . 15358 1 154 . 1 1 30 30 VAL CG1 C 13 22.694 . . 2 . . . . . 30 VAL CG1 . 15358 1 155 . 1 1 30 30 VAL CG2 C 13 25.710 . . 2 . . . . . 30 VAL CG2 . 15358 1 156 . 1 1 30 30 VAL N N 15 120.953 . . 1 . . . . . 30 VAL N . 15358 1 157 . 1 1 31 31 VAL H H 1 8.071 . . 1 . . . . . 31 VAL HN . 15358 1 158 . 1 1 31 31 VAL HA H 1 3.340 . . 1 . . . . . 31 VAL HA . 15358 1 159 . 1 1 31 31 VAL HB H 1 2.208 . . 1 . . . . . 31 VAL HB . 15358 1 160 . 1 1 31 31 VAL HG11 H 1 1.072 . . 2 . . . . . 31 VAL HG1 . 15358 1 161 . 1 1 31 31 VAL HG12 H 1 1.072 . . 2 . . . . . 31 VAL HG1 . 15358 1 162 . 1 1 31 31 VAL HG13 H 1 1.072 . . 2 . . . . . 31 VAL HG1 . 15358 1 163 . 1 1 31 31 VAL HG21 H 1 0.957 . . 2 . . . . . 31 VAL HG2 . 15358 1 164 . 1 1 31 31 VAL HG22 H 1 0.957 . . 2 . . . . . 31 VAL HG2 . 15358 1 165 . 1 1 31 31 VAL HG23 H 1 0.957 . . 2 . . . . . 31 VAL HG2 . 15358 1 166 . 1 1 31 31 VAL CA C 13 67.602 . . 1 . . . . . 31 VAL CA . 15358 1 167 . 1 1 31 31 VAL CB C 13 31.803 . . 1 . . . . . 31 VAL CB . 15358 1 168 . 1 1 31 31 VAL CG1 C 13 23.739 . . 2 . . . . . 31 VAL CG1 . 15358 1 169 . 1 1 31 31 VAL CG2 C 13 22.368 . . 2 . . . . . 31 VAL CG2 . 15358 1 170 . 1 1 31 31 VAL N N 15 118.979 . . 1 . . . . . 31 VAL N . 15358 1 171 . 1 1 32 32 LYS H H 1 8.088 . . 1 . . . . . 32 LYS HN . 15358 1 172 . 1 1 32 32 LYS HA H 1 4.096 . . 1 . . . . . 32 LYS HA . 15358 1 173 . 1 1 32 32 LYS HB2 H 1 1.994 . . 2 . . . . . 32 LYS HB1 . 15358 1 174 . 1 1 32 32 LYS HD2 H 1 1.651 . . 2 . . . . . 32 LYS HD1 . 15358 1 175 . 1 1 32 32 LYS HE2 H 1 2.895 . . 2 . . . . . 32 LYS HE1 . 15358 1 176 . 1 1 32 32 LYS HG2 H 1 1.414 . . 2 . . . . . 32 LYS HG1 . 15358 1 177 . 1 1 32 32 LYS HG3 H 1 1.579 . . 2 . . . . . 32 LYS HG2 . 15358 1 178 . 1 1 32 32 LYS CA C 13 59.838 . . 1 . . . . . 32 LYS CA . 15358 1 179 . 1 1 32 32 LYS CB C 13 32.651 . . 1 . . . . . 32 LYS CB . 15358 1 180 . 1 1 32 32 LYS CD C 13 29.319 . . 1 . . . . . 32 LYS CD . 15358 1 181 . 1 1 32 32 LYS CE C 13 41.776 . . 1 . . . . . 32 LYS CE . 15358 1 182 . 1 1 32 32 LYS CG C 13 25.147 . . 1 . . . . . 32 LYS CG . 15358 1 183 . 1 1 32 32 LYS N N 15 119.226 . . 1 . . . . . 32 LYS N . 15358 1 184 . 1 1 33 33 LYS H H 1 8.460 . . 1 . . . . . 33 LYS HN . 15358 1 185 . 1 1 33 33 LYS HA H 1 4.176 . . 1 . . . . . 33 LYS HA . 15358 1 186 . 1 1 33 33 LYS HB2 H 1 1.916 . . 2 . . . . . 33 LYS HB1 . 15358 1 187 . 1 1 33 33 LYS HB3 H 1 2.251 . . 2 . . . . . 33 LYS HB2 . 15358 1 188 . 1 1 33 33 LYS HD2 H 1 1.608 . . 2 . . . . . 33 LYS HD1 . 15358 1 189 . 1 1 33 33 LYS HD3 H 1 1.658 . . 2 . . . . . 33 LYS HD2 . 15358 1 190 . 1 1 33 33 LYS HE2 H 1 2.664 . . 2 . . . . . 33 LYS HE1 . 15358 1 191 . 1 1 33 33 LYS HE3 H 1 2.734 . . 2 . . . . . 33 LYS HE2 . 15358 1 192 . 1 1 33 33 LYS HG2 H 1 1.312 . . 2 . . . . . 33 LYS HG1 . 15358 1 193 . 1 1 33 33 LYS HG3 H 1 1.957 . . 2 . . . . . 33 LYS HG2 . 15358 1 194 . 1 1 33 33 LYS CA C 13 57.066 . . 1 . . . . . 33 LYS CA . 15358 1 195 . 1 1 33 33 LYS CB C 13 31.540 . . 1 . . . . . 33 LYS CB . 15358 1 196 . 1 1 33 33 LYS CD C 13 27.670 . . 1 . . . . . 33 LYS CD . 15358 1 197 . 1 1 33 33 LYS CE C 13 41.799 . . 1 . . . . . 33 LYS CE . 15358 1 198 . 1 1 33 33 LYS CG C 13 24.059 . . 1 . . . . . 33 LYS CG . 15358 1 199 . 1 1 33 33 LYS N N 15 118.868 . . 1 . . . . . 33 LYS N . 15358 1 200 . 1 1 34 34 TYR H H 1 8.966 . . 1 . . . . . 34 TYR HN . 15358 1 201 . 1 1 34 34 TYR HA H 1 3.935 . . 1 . . . . . 34 TYR HA . 15358 1 202 . 1 1 34 34 TYR HB2 H 1 2.724 . . 2 . . . . . 34 TYR HB1 . 15358 1 203 . 1 1 34 34 TYR HB3 H 1 3.307 . . 2 . . . . . 34 TYR HB2 . 15358 1 204 . 1 1 34 34 TYR HD1 H 1 6.878 . . 1 . . . . . 34 TYR HD1 . 15358 1 205 . 1 1 34 34 TYR CA C 13 62.301 . . 1 . . . . . 34 TYR CA . 15358 1 206 . 1 1 34 34 TYR CB C 13 39.007 . . 1 . . . . . 34 TYR CB . 15358 1 207 . 1 1 34 34 TYR N N 15 121.940 . . 1 . . . . . 34 TYR N . 15358 1 208 . 1 1 35 35 GLU H H 1 8.980 . . 1 . . . . . 35 GLU HN . 15358 1 209 . 1 1 35 35 GLU HA H 1 3.898 . . 1 . . . . . 35 GLU HA . 15358 1 210 . 1 1 35 35 GLU HB2 H 1 2.087 . . 2 . . . . . 35 GLU HB1 . 15358 1 211 . 1 1 35 35 GLU HB3 H 1 2.164 . . 2 . . . . . 35 GLU HB2 . 15358 1 212 . 1 1 35 35 GLU HG2 H 1 2.586 . . 2 . . . . . 35 GLU HG1 . 15358 1 213 . 1 1 35 35 GLU HG3 H 1 2.500 . . 2 . . . . . 35 GLU HG2 . 15358 1 214 . 1 1 35 35 GLU CA C 13 58.979 . . 1 . . . . . 35 GLU CA . 15358 1 215 . 1 1 35 35 GLU CB C 13 29.876 . . 1 . . . . . 35 GLU CB . 15358 1 216 . 1 1 35 35 GLU CG C 13 35.967 . . 1 . . . . . 35 GLU CG . 15358 1 217 . 1 1 35 35 GLU N N 15 118.239 . . 1 . . . . . 35 GLU N . 15358 1 218 . 1 1 36 36 GLY H H 1 7.696 . . 1 . . . . . 36 GLY HN . 15358 1 219 . 1 1 36 36 GLY HA2 H 1 4.069 . . 2 . . . . . 36 GLY HA1 . 15358 1 220 . 1 1 36 36 GLY HA3 H 1 3.653 . . 2 . . . . . 36 GLY HA2 . 15358 1 221 . 1 1 36 36 GLY CA C 13 45.055 . . 1 . . . . . 36 GLY CA . 15358 1 222 . 1 1 36 36 GLY N N 15 103.730 . . 1 . . . . . 36 GLY N . 15358 1 223 . 1 1 37 37 SER H H 1 6.977 . . 1 . . . . . 37 SER HN . 15358 1 224 . 1 1 37 37 SER HA H 1 4.364 . . 1 . . . . . 37 SER HA . 15358 1 225 . 1 1 37 37 SER HB2 H 1 3.843 . . 2 . . . . . 37 SER HB1 . 15358 1 226 . 1 1 37 37 SER HB3 H 1 3.661 . . 2 . . . . . 37 SER HB2 . 15358 1 227 . 1 1 37 37 SER CA C 13 57.087 . . 1 . . . . . 37 SER CA . 15358 1 228 . 1 1 37 37 SER CB C 13 63.450 . . 1 . . . . . 37 SER CB . 15358 1 229 . 1 1 37 37 SER N N 15 115.525 . . 1 . . . . . 37 SER N . 15358 1 230 . 1 1 38 38 ALA H H 1 8.918 . . 1 . . . . . 38 ALA HN . 15358 1 231 . 1 1 38 38 ALA HA H 1 4.153 . . 1 . . . . . 38 ALA HA . 15358 1 232 . 1 1 38 38 ALA HB1 H 1 1.375 . . 1 . . . . . 38 ALA HB1 . 15358 1 233 . 1 1 38 38 ALA HB2 H 1 1.375 . . 1 . . . . . 38 ALA HB1 . 15358 1 234 . 1 1 38 38 ALA HB3 H 1 1.375 . . 1 . . . . . 38 ALA HB1 . 15358 1 235 . 1 1 38 38 ALA CA C 13 54.285 . . 1 . . . . . 38 ALA CA . 15358 1 236 . 1 1 38 38 ALA CB C 13 18.784 . . 1 . . . . . 38 ALA CB . 15358 1 237 . 1 1 38 38 ALA N N 15 131.315 . . 1 . . . . . 38 ALA N . 15358 1 238 . 1 1 39 39 ASP H H 1 7.712 . . 1 . . . . . 39 ASP HN . 15358 1 239 . 1 1 39 39 ASP HA H 1 4.578 . . 1 . . . . . 39 ASP HA . 15358 1 240 . 1 1 39 39 ASP HB2 H 1 2.604 . . 2 . . . . . 39 ASP HB1 . 15358 1 241 . 1 1 39 39 ASP HB3 H 1 2.617 . . 2 . . . . . 39 ASP HB2 . 15358 1 242 . 1 1 39 39 ASP CA C 13 52.907 . . 1 . . . . . 39 ASP CA . 15358 1 243 . 1 1 39 39 ASP CB C 13 41.519 . . 1 . . . . . 39 ASP CB . 15358 1 244 . 1 1 39 39 ASP N N 15 114.785 . . 1 . . . . . 39 ASP N . 15358 1 245 . 1 1 40 40 LYS H H 1 8.386 . . 1 . . . . . 40 LYS HN . 15358 1 246 . 1 1 40 40 LYS HA H 1 3.604 . . 1 . . . . . 40 LYS HA . 15358 1 247 . 1 1 40 40 LYS HB2 H 1 1.747 . . 2 . . . . . 40 LYS HB1 . 15358 1 248 . 1 1 40 40 LYS HB3 H 1 1.839 . . 2 . . . . . 40 LYS HB2 . 15358 1 249 . 1 1 40 40 LYS HD2 H 1 0.502 . . 2 . . . . . 40 LYS HD1 . 15358 1 250 . 1 1 40 40 LYS HD3 H 1 0.995 . . 2 . . . . . 40 LYS HD2 . 15358 1 251 . 1 1 40 40 LYS HE2 H 1 2.596 . . 2 . . . . . 40 LYS HE1 . 15358 1 252 . 1 1 40 40 LYS HE3 H 1 2.665 . . 2 . . . . . 40 LYS HE2 . 15358 1 253 . 1 1 40 40 LYS HG2 H 1 0.911 . . 2 . . . . . 40 LYS HG1 . 15358 1 254 . 1 1 40 40 LYS HG3 H 1 1.159 . . 2 . . . . . 40 LYS HG2 . 15358 1 255 . 1 1 40 40 LYS CA C 13 54.835 . . 1 . . . . . 40 LYS CA . 15358 1 256 . 1 1 40 40 LYS CB C 13 29.039 . . 1 . . . . . 40 LYS CB . 15358 1 257 . 1 1 40 40 LYS CD C 13 27.379 . . 1 . . . . . 40 LYS CD . 15358 1 258 . 1 1 40 40 LYS CE C 13 42.930 . . 1 . . . . . 40 LYS CE . 15358 1 259 . 1 1 40 40 LYS CG C 13 24.324 . . 1 . . . . . 40 LYS CG . 15358 1 260 . 1 1 40 40 LYS N N 15 119.226 . . 1 . . . . . 40 LYS N . 15358 1 261 . 1 1 41 41 ASP H H 1 7.523 . . 1 . . . . . 41 ASP HN . 15358 1 262 . 1 1 41 41 ASP HA H 1 4.376 . . 1 . . . . . 41 ASP HA . 15358 1 263 . 1 1 41 41 ASP HB2 H 1 2.559 . . 2 . . . . . 41 ASP HB1 . 15358 1 264 . 1 1 41 41 ASP HB3 H 1 2.721 . . 2 . . . . . 41 ASP HB2 . 15358 1 265 . 1 1 41 41 ASP CA C 13 54.330 . . 1 . . . . . 41 ASP CA . 15358 1 266 . 1 1 41 41 ASP CB C 13 42.108 . . 1 . . . . . 41 ASP CB . 15358 1 267 . 1 1 41 41 ASP N N 15 119.226 . . 1 . . . . . 41 ASP N . 15358 1 268 . 1 1 42 42 ALA H H 1 9.017 . . 1 . . . . . 42 ALA HN . 15358 1 269 . 1 1 42 42 ALA HA H 1 3.860 . . 1 . . . . . 42 ALA HA . 15358 1 270 . 1 1 42 42 ALA HB1 H 1 1.462 . . 1 . . . . . 42 ALA HB1 . 15358 1 271 . 1 1 42 42 ALA HB2 H 1 1.462 . . 1 . . . . . 42 ALA HB1 . 15358 1 272 . 1 1 42 42 ALA HB3 H 1 1.462 . . 1 . . . . . 42 ALA HB1 . 15358 1 273 . 1 1 42 42 ALA CA C 13 55.680 . . 1 . . . . . 42 ALA CA . 15358 1 274 . 1 1 42 42 ALA CB C 13 19.315 . . 1 . . . . . 42 ALA CB . 15358 1 275 . 1 1 42 42 ALA N N 15 130.822 . . 1 . . . . . 42 ALA N . 15358 1 276 . 1 1 43 43 ASN H H 1 8.433 . . 1 . . . . . 43 ASN HN . 15358 1 277 . 1 1 43 43 ASN HA H 1 4.386 . . 1 . . . . . 43 ASN HA . 15358 1 278 . 1 1 43 43 ASN HB2 H 1 2.683 . . 2 . . . . . 43 ASN HB1 . 15358 1 279 . 1 1 43 43 ASN HB3 H 1 2.956 . . 2 . . . . . 43 ASN HB2 . 15358 1 280 . 1 1 43 43 ASN CA C 13 56.511 . . 1 . . . . . 43 ASN CA . 15358 1 281 . 1 1 43 43 ASN CB C 13 38.255 . . 1 . . . . . 43 ASN CB . 15358 1 282 . 1 1 43 43 ASN N N 15 114.785 . . 1 . . . . . 43 ASN N . 15358 1 283 . 1 1 44 44 VAL H H 1 7.510 . . 1 . . . . . 44 VAL HN . 15358 1 284 . 1 1 44 44 VAL HA H 1 3.601 . . 1 . . . . . 44 VAL HA . 15358 1 285 . 1 1 44 44 VAL HB H 1 2.164 . . 1 . . . . . 44 VAL HB . 15358 1 286 . 1 1 44 44 VAL HG11 H 1 0.962 . . 2 . . . . . 44 VAL HG1 . 15358 1 287 . 1 1 44 44 VAL HG12 H 1 0.962 . . 2 . . . . . 44 VAL HG1 . 15358 1 288 . 1 1 44 44 VAL HG13 H 1 0.962 . . 2 . . . . . 44 VAL HG1 . 15358 1 289 . 1 1 44 44 VAL HG21 H 1 0.970 . . 2 . . . . . 44 VAL HG2 . 15358 1 290 . 1 1 44 44 VAL HG22 H 1 0.970 . . 2 . . . . . 44 VAL HG2 . 15358 1 291 . 1 1 44 44 VAL HG23 H 1 0.970 . . 2 . . . . . 44 VAL HG2 . 15358 1 292 . 1 1 44 44 VAL CA C 13 66.228 . . 1 . . . . . 44 VAL CA . 15358 1 293 . 1 1 44 44 VAL CB C 13 33.117 . . 1 . . . . . 44 VAL CB . 15358 1 294 . 1 1 44 44 VAL CG1 C 13 21.807 . . 2 . . . . . 44 VAL CG1 . 15358 1 295 . 1 1 44 44 VAL CG2 C 13 22.324 . . 2 . . . . . 44 VAL CG2 . 15358 1 296 . 1 1 44 44 VAL N N 15 123.173 . . 1 . . . . . 44 VAL N . 15358 1 297 . 1 1 45 45 ILE H H 1 8.084 . . 1 . . . . . 45 ILE HN . 15358 1 298 . 1 1 45 45 ILE HA H 1 3.743 . . 1 . . . . . 45 ILE HA . 15358 1 299 . 1 1 45 45 ILE HB H 1 1.788 . . 1 . . . . . 45 ILE HB . 15358 1 300 . 1 1 45 45 ILE HD11 H 1 0.769 . . 1 . . . . . 45 ILE HD1 . 15358 1 301 . 1 1 45 45 ILE HD12 H 1 0.769 . . 1 . . . . . 45 ILE HD1 . 15358 1 302 . 1 1 45 45 ILE HD13 H 1 0.769 . . 1 . . . . . 45 ILE HD1 . 15358 1 303 . 1 1 45 45 ILE HG12 H 1 1.085 . . 2 . . . . . 45 ILE HG11 . 15358 1 304 . 1 1 45 45 ILE HG13 H 1 1.699 . . 2 . . . . . 45 ILE HG12 . 15358 1 305 . 1 1 45 45 ILE HG21 H 1 0.846 . . 1 . . . . . 45 ILE HG2 . 15358 1 306 . 1 1 45 45 ILE HG22 H 1 0.846 . . 1 . . . . . 45 ILE HG2 . 15358 1 307 . 1 1 45 45 ILE HG23 H 1 0.846 . . 1 . . . . . 45 ILE HG2 . 15358 1 308 . 1 1 45 45 ILE CA C 13 65.113 . . 1 . . . . . 45 ILE CA . 15358 1 309 . 1 1 45 45 ILE CB C 13 37.376 . . 1 . . . . . 45 ILE CB . 15358 1 310 . 1 1 45 45 ILE CD1 C 13 13.778 . . 1 . . . . . 45 ILE CD1 . 15358 1 311 . 1 1 45 45 ILE CG1 C 13 29.065 . . 1 . . . . . 45 ILE CG1 . 15358 1 312 . 1 1 45 45 ILE CG2 C 13 17.110 . . 1 . . . . . 45 ILE CG2 . 15358 1 313 . 1 1 45 45 ILE N N 15 120.213 . . 1 . . . . . 45 ILE N . 15358 1 314 . 1 1 46 46 LYS H H 1 8.393 . . 1 . . . . . 46 LYS HN . 15358 1 315 . 1 1 46 46 LYS HA H 1 3.809 . . 1 . . . . . 46 LYS HA . 15358 1 316 . 1 1 46 46 LYS HB2 H 1 1.972 . . 2 . . . . . 46 LYS HB1 . 15358 1 317 . 1 1 46 46 LYS HE2 H 1 2.734 . . 2 . . . . . 46 LYS HE1 . 15358 1 318 . 1 1 46 46 LYS HG2 H 1 1.228 . . 2 . . . . . 46 LYS HG1 . 15358 1 319 . 1 1 46 46 LYS HG3 H 1 1.721 . . 2 . . . . . 46 LYS HG2 . 15358 1 320 . 1 1 46 46 LYS CA C 13 62.030 . . 1 . . . . . 46 LYS CA . 15358 1 321 . 1 1 46 46 LYS CB C 13 32.915 . . 1 . . . . . 46 LYS CB . 15358 1 322 . 1 1 46 46 LYS CE C 13 42.072 . . 1 . . . . . 46 LYS CE . 15358 1 323 . 1 1 46 46 LYS CG C 13 29.293 . . 1 . . . . . 46 LYS CG . 15358 1 324 . 1 1 46 46 LYS N N 15 118.239 . . 1 . . . . . 46 LYS N . 15358 1 325 . 1 1 47 47 LYS H H 1 7.469 . . 1 . . . . . 47 LYS HN . 15358 1 326 . 1 1 47 47 LYS HA H 1 4.128 . . 1 . . . . . 47 LYS HA . 15358 1 327 . 1 1 47 47 LYS HB2 H 1 1.977 . . 2 . . . . . 47 LYS HB1 . 15358 1 328 . 1 1 47 47 LYS HD2 H 1 1.684 . . 2 . . . . . 47 LYS HD1 . 15358 1 329 . 1 1 47 47 LYS HE2 H 1 2.938 . . 2 . . . . . 47 LYS HE1 . 15358 1 330 . 1 1 47 47 LYS HG2 H 1 1.484 . . 2 . . . . . 47 LYS HG1 . 15358 1 331 . 1 1 47 47 LYS HG3 H 1 1.622 . . 2 . . . . . 47 LYS HG2 . 15358 1 332 . 1 1 47 47 LYS CA C 13 59.824 . . 1 . . . . . 47 LYS CA . 15358 1 333 . 1 1 47 47 LYS CB C 13 32.656 . . 1 . . . . . 47 LYS CB . 15358 1 334 . 1 1 47 47 LYS CD C 13 29.334 . . 1 . . . . . 47 LYS CD . 15358 1 335 . 1 1 47 47 LYS CE C 13 41.800 . . 1 . . . . . 47 LYS CE . 15358 1 336 . 1 1 47 47 LYS CG C 13 24.889 . . 1 . . . . . 47 LYS CG . 15358 1 337 . 1 1 47 47 LYS N N 15 119.719 . . 1 . . . . . 47 LYS N . 15358 1 338 . 1 1 48 48 ASP H H 1 8.697 . . 1 . . . . . 48 ASP HN . 15358 1 339 . 1 1 48 48 ASP HA H 1 4.483 . . 1 . . . . . 48 ASP HA . 15358 1 340 . 1 1 48 48 ASP HB2 H 1 2.575 . . 2 . . . . . 48 ASP HB1 . 15358 1 341 . 1 1 48 48 ASP HB3 H 1 2.796 . . 2 . . . . . 48 ASP HB2 . 15358 1 342 . 1 1 48 48 ASP CA C 13 57.054 . . 1 . . . . . 48 ASP CA . 15358 1 343 . 1 1 48 48 ASP CB C 13 40.422 . . 1 . . . . . 48 ASP CB . 15358 1 344 . 1 1 48 48 ASP N N 15 122.433 . . 1 . . . . . 48 ASP N . 15358 1 345 . 1 1 49 49 PHE H H 1 9.328 . . 1 . . . . . 49 PHE HN . 15358 1 346 . 1 1 49 49 PHE HA H 1 3.820 . . 1 . . . . . 49 PHE HA . 15358 1 347 . 1 1 49 49 PHE HB2 H 1 2.925 . . 2 . . . . . 49 PHE HB1 . 15358 1 348 . 1 1 49 49 PHE HB3 H 1 3.408 . . 2 . . . . . 49 PHE HB2 . 15358 1 349 . 1 1 49 49 PHE HD1 H 1 6.972 . . 1 . . . . . 49 PHE HD1 . 15358 1 350 . 1 1 49 49 PHE HD2 H 1 6.980 . . 1 . . . . . 49 PHE HD2 . 15358 1 351 . 1 1 49 49 PHE CA C 13 62.071 . . 1 . . . . . 49 PHE CA . 15358 1 352 . 1 1 49 49 PHE CB C 13 39.041 . . 1 . . . . . 49 PHE CB . 15358 1 353 . 1 1 49 49 PHE N N 15 120.502 . . 1 . . . . . 49 PHE N . 15358 1 354 . 1 1 50 50 ASP H H 1 8.603 . . 1 . . . . . 50 ASP HN . 15358 1 355 . 1 1 50 50 ASP HA H 1 3.855 . . 1 . . . . . 50 ASP HA . 15358 1 356 . 1 1 50 50 ASP HB2 H 1 2.906 . . 2 . . . . . 50 ASP HB1 . 15358 1 357 . 1 1 50 50 ASP HB3 H 1 3.026 . . 2 . . . . . 50 ASP HB2 . 15358 1 358 . 1 1 50 50 ASP CA C 13 57.655 . . 1 . . . . . 50 ASP CA . 15358 1 359 . 1 1 50 50 ASP CB C 13 41.246 . . 1 . . . . . 50 ASP CB . 15358 1 360 . 1 1 50 50 ASP N N 15 120.706 . . 1 . . . . . 50 ASP N . 15358 1 361 . 1 1 51 51 ALA H H 1 7.510 . . 1 . . . . . 51 ALA HN . 15358 1 362 . 1 1 51 51 ALA HA H 1 3.982 . . 1 . . . . . 51 ALA HA . 15358 1 363 . 1 1 51 51 ALA HB1 H 1 1.475 . . 1 . . . . . 51 ALA HB1 . 15358 1 364 . 1 1 51 51 ALA HB2 H 1 1.475 . . 1 . . . . . 51 ALA HB1 . 15358 1 365 . 1 1 51 51 ALA HB3 H 1 1.475 . . 1 . . . . . 51 ALA HB1 . 15358 1 366 . 1 1 51 51 ALA CA C 13 56.311 . . 1 . . . . . 51 ALA CA . 15358 1 367 . 1 1 51 51 ALA CB C 13 18.201 . . 1 . . . . . 51 ALA CB . 15358 1 368 . 1 1 51 51 ALA N N 15 117.499 . . 1 . . . . . 51 ALA N . 15358 1 369 . 1 1 52 52 GLU H H 1 7.604 . . 1 . . . . . 52 GLU HN . 15358 1 370 . 1 1 52 52 GLU HA H 1 3.941 . . 1 . . . . . 52 GLU HA . 15358 1 371 . 1 1 52 52 GLU HB2 H 1 1.751 . . 2 . . . . . 52 GLU HB1 . 15358 1 372 . 1 1 52 52 GLU HB3 H 1 1.998 . . 2 . . . . . 52 GLU HB2 . 15358 1 373 . 1 1 52 52 GLU HG2 H 1 2.180 . . 2 . . . . . 52 GLU HG1 . 15358 1 374 . 1 1 52 52 GLU CA C 13 59.294 . . 1 . . . . . 52 GLU CA . 15358 1 375 . 1 1 52 52 GLU CB C 13 29.581 . . 1 . . . . . 52 GLU CB . 15358 1 376 . 1 1 52 52 GLU CG C 13 36.277 . . 1 . . . . . 52 GLU CG . 15358 1 377 . 1 1 52 52 GLU N N 15 118.979 . . 1 . . . . . 52 GLU N . 15358 1 378 . 1 1 53 53 CYS H H 1 9.106 . . 1 . . . . . 53 CYS HN . 15358 1 379 . 1 1 53 53 CYS HA H 1 3.502 . . 1 . . . . . 53 CYS HA . 15358 1 380 . 1 1 53 53 CYS HB2 H 1 1.538 . . 2 . . . . . 53 CYS HB1 . 15358 1 381 . 1 1 53 53 CYS HB3 H 1 2.788 . . 2 . . . . . 53 CYS HB2 . 15358 1 382 . 1 1 53 53 CYS CA C 13 60.943 . . 1 . . . . . 53 CYS CA . 15358 1 383 . 1 1 53 53 CYS CB C 13 37.388 . . 1 . . . . . 53 CYS CB . 15358 1 384 . 1 1 53 53 CYS N N 15 120.292 . . 1 . . . . . 53 CYS N . 15358 1 385 . 1 1 54 54 LYS H H 1 7.888 . . 1 . . . . . 54 LYS HN . 15358 1 386 . 1 1 54 54 LYS HA H 1 3.634 . . 1 . . . . . 54 LYS HA . 15358 1 387 . 1 1 54 54 LYS HB2 H 1 1.713 . . 2 . . . . . 54 LYS HB1 . 15358 1 388 . 1 1 54 54 LYS HB3 H 1 1.810 . . 2 . . . . . 54 LYS HB2 . 15358 1 389 . 1 1 54 54 LYS HD2 H 1 1.536 . . 2 . . . . . 54 LYS HD1 . 15358 1 390 . 1 1 54 54 LYS HD3 H 1 1.604 . . 2 . . . . . 54 LYS HD2 . 15358 1 391 . 1 1 54 54 LYS HE2 H 1 2.815 . . 2 . . . . . 54 LYS HE1 . 15358 1 392 . 1 1 54 54 LYS HG2 H 1 1.125 . . 2 . . . . . 54 LYS HG1 . 15358 1 393 . 1 1 54 54 LYS HG3 H 1 1.703 . . 2 . . . . . 54 LYS HG2 . 15358 1 394 . 1 1 54 54 LYS CA C 13 60.379 . . 1 . . . . . 54 LYS CA . 15358 1 395 . 1 1 54 54 LYS CB C 13 32.093 . . 1 . . . . . 54 LYS CB . 15358 1 396 . 1 1 54 54 LYS CD C 13 29.040 . . 1 . . . . . 54 LYS CD . 15358 1 397 . 1 1 54 54 LYS CE C 13 42.355 . . 1 . . . . . 54 LYS CE . 15358 1 398 . 1 1 54 54 LYS CG C 13 29.050 . . 1 . . . . . 54 LYS CG . 15358 1 399 . 1 1 54 54 LYS N N 15 117.499 . . 1 . . . . . 54 LYS N . 15358 1 400 . 1 1 55 55 LYS H H 1 7.300 . . 1 . . . . . 55 LYS HN . 15358 1 401 . 1 1 55 55 LYS HA H 1 4.028 . . 1 . . . . . 55 LYS HA . 15358 1 402 . 1 1 55 55 LYS HB2 H 1 1.791 . . 2 . . . . . 55 LYS HB1 . 15358 1 403 . 1 1 55 55 LYS HB3 H 1 1.831 . . 2 . . . . . 55 LYS HB2 . 15358 1 404 . 1 1 55 55 LYS HD2 H 1 1.572 . . 2 . . . . . 55 LYS HD1 . 15358 1 405 . 1 1 55 55 LYS HE2 H 1 2.809 . . 2 . . . . . 55 LYS HE1 . 15358 1 406 . 1 1 55 55 LYS HG2 H 1 1.246 . . 2 . . . . . 55 LYS HG1 . 15358 1 407 . 1 1 55 55 LYS HG3 H 1 1.472 . . 2 . . . . . 55 LYS HG2 . 15358 1 408 . 1 1 55 55 LYS CA C 13 59.571 . . 1 . . . . . 55 LYS CA . 15358 1 409 . 1 1 55 55 LYS CB C 13 32.647 . . 1 . . . . . 55 LYS CB . 15358 1 410 . 1 1 55 55 LYS CD C 13 29.277 . . 1 . . . . . 55 LYS CD . 15358 1 411 . 1 1 55 55 LYS CG C 13 24.853 . . 1 . . . . . 55 LYS CG . 15358 1 412 . 1 1 55 55 LYS N N 15 120.213 . . 1 . . . . . 55 LYS N . 15358 1 413 . 1 1 56 56 LEU H H 1 8.074 . . 1 . . . . . 56 LEU HN . 15358 1 414 . 1 1 56 56 LEU HA H 1 3.848 . . 1 . . . . . 56 LEU HA . 15358 1 415 . 1 1 56 56 LEU HB2 H 1 0.492 . . 2 . . . . . 56 LEU HB1 . 15358 1 416 . 1 1 56 56 LEU HB3 H 1 1.037 . . 2 . . . . . 56 LEU HB2 . 15358 1 417 . 1 1 56 56 LEU HD11 H 1 0.591 . . 2 . . . . . 56 LEU HD1 . 15358 1 418 . 1 1 56 56 LEU HD12 H 1 0.591 . . 2 . . . . . 56 LEU HD1 . 15358 1 419 . 1 1 56 56 LEU HD13 H 1 0.591 . . 2 . . . . . 56 LEU HD1 . 15358 1 420 . 1 1 56 56 LEU HD21 H 1 0.549 . . 2 . . . . . 56 LEU HD2 . 15358 1 421 . 1 1 56 56 LEU HD22 H 1 0.549 . . 2 . . . . . 56 LEU HD2 . 15358 1 422 . 1 1 56 56 LEU HD23 H 1 0.549 . . 2 . . . . . 56 LEU HD2 . 15358 1 423 . 1 1 56 56 LEU HG H 1 1.253 . . 1 . . . . . 56 LEU HG . 15358 1 424 . 1 1 56 56 LEU CA C 13 57.354 . . 1 . . . . . 56 LEU CA . 15358 1 425 . 1 1 56 56 LEU CB C 13 41.816 . . 1 . . . . . 56 LEU CB . 15358 1 426 . 1 1 56 56 LEU CD1 C 13 25.175 . . 2 . . . . . 56 LEU CD1 . 15358 1 427 . 1 1 56 56 LEU CD2 C 13 23.226 . . 2 . . . . . 56 LEU CD2 . 15358 1 428 . 1 1 56 56 LEU CG C 13 26.517 . . 1 . . . . . 56 LEU CG . 15358 1 429 . 1 1 56 56 LEU N N 15 119.719 . . 1 . . . . . 56 LEU N . 15358 1 430 . 1 1 57 57 PHE H H 1 8.054 . . 1 . . . . . 57 PHE HN . 15358 1 431 . 1 1 57 57 PHE HA H 1 4.983 . . 1 . . . . . 57 PHE HA . 15358 1 432 . 1 1 57 57 PHE HB2 H 1 2.959 . . 2 . . . . . 57 PHE HB1 . 15358 1 433 . 1 1 57 57 PHE HB3 H 1 3.084 . . 2 . . . . . 57 PHE HB2 . 15358 1 434 . 1 1 57 57 PHE HD1 H 1 7.274 . . 1 . . . . . 57 PHE HD1 . 15358 1 435 . 1 1 57 57 PHE HE1 H 1 7.023 . . 1 . . . . . 57 PHE HE1 . 15358 1 436 . 1 1 57 57 PHE CA C 13 56.470 . . 1 . . . . . 57 PHE CA . 15358 1 437 . 1 1 57 57 PHE CB C 13 37.916 . . 1 . . . . . 57 PHE CB . 15358 1 438 . 1 1 57 57 PHE N N 15 113.798 . . 1 . . . . . 57 PHE N . 15358 1 439 . 1 1 58 58 HIS H H 1 7.523 . . 1 . . . . . 58 HIS HN . 15358 1 440 . 1 1 58 58 HIS HA H 1 4.448 . . 1 . . . . . 58 HIS HA . 15358 1 441 . 1 1 58 58 HIS HB2 H 1 3.459 . . 2 . . . . . 58 HIS HB1 . 15358 1 442 . 1 1 58 58 HIS HD2 H 1 7.321 . . 1 . . . . . 58 HIS HD2 . 15358 1 443 . 1 1 58 58 HIS CA C 13 59.037 . . 1 . . . . . 58 HIS CA . 15358 1 444 . 1 1 58 58 HIS CB C 13 27.942 . . 1 . . . . . 58 HIS CB . 15358 1 445 . 1 1 58 58 HIS N N 15 116.758 . . 1 . . . . . 58 HIS N . 15358 1 446 . 1 1 59 59 THR H H 1 7.674 . . 1 . . . . . 59 THR HN . 15358 1 447 . 1 1 59 59 THR HA H 1 4.085 . . 1 . . . . . 59 THR HA . 15358 1 448 . 1 1 59 59 THR HB H 1 4.323 . . 1 . . . . . 59 THR HB . 15358 1 449 . 1 1 59 59 THR HG21 H 1 0.831 . . 1 . . . . . 59 THR HG21 . 15358 1 450 . 1 1 59 59 THR HG22 H 1 0.831 . . 1 . . . . . 59 THR HG21 . 15358 1 451 . 1 1 59 59 THR HG23 H 1 0.831 . . 1 . . . . . 59 THR HG21 . 15358 1 452 . 1 1 59 59 THR CA C 13 62.033 . . 1 . . . . . 59 THR CA . 15358 1 453 . 1 1 59 59 THR CB C 13 68.425 . . 1 . . . . . 59 THR CB . 15358 1 454 . 1 1 59 59 THR CG2 C 13 21.520 . . 1 . . . . . 59 THR CG2 . 15358 1 455 . 1 1 59 59 THR N N 15 108.123 . . 1 . . . . . 59 THR N . 15358 1 456 . 1 1 60 60 ILE H H 1 7.540 . . 1 . . . . . 60 ILE HN . 15358 1 457 . 1 1 60 60 ILE HA H 1 4.444 . . 1 . . . . . 60 ILE HA . 15358 1 458 . 1 1 60 60 ILE HB H 1 1.969 . . 1 . . . . . 60 ILE HB . 15358 1 459 . 1 1 60 60 ILE HD11 H 1 0.816 . . 1 . . . . . 60 ILE HD1 . 15358 1 460 . 1 1 60 60 ILE HD12 H 1 0.816 . . 1 . . . . . 60 ILE HD1 . 15358 1 461 . 1 1 60 60 ILE HD13 H 1 0.816 . . 1 . . . . . 60 ILE HD1 . 15358 1 462 . 1 1 60 60 ILE HG12 H 1 1.310 . . 2 . . . . . 60 ILE HG11 . 15358 1 463 . 1 1 60 60 ILE HG13 H 1 1.477 . . 2 . . . . . 60 ILE HG12 . 15358 1 464 . 1 1 60 60 ILE HG21 H 1 0.770 . . 1 . . . . . 60 ILE HG2 . 15358 1 465 . 1 1 60 60 ILE HG22 H 1 0.770 . . 1 . . . . . 60 ILE HG2 . 15358 1 466 . 1 1 60 60 ILE HG23 H 1 0.770 . . 1 . . . . . 60 ILE HG2 . 15358 1 467 . 1 1 60 60 ILE CA C 13 58.167 . . 1 . . . . . 60 ILE CA . 15358 1 468 . 1 1 60 60 ILE CB C 13 38.745 . . 1 . . . . . 60 ILE CB . 15358 1 469 . 1 1 60 60 ILE CD1 C 13 12.948 . . 1 . . . . . 60 ILE CD1 . 15358 1 470 . 1 1 60 60 ILE CG1 C 13 27.355 . . 1 . . . . . 60 ILE CG1 . 15358 1 471 . 1 1 60 60 ILE CG2 C 13 16.555 . . 1 . . . . . 60 ILE CG2 . 15358 1 472 . 1 1 60 60 ILE N N 15 124.900 . . 1 . . . . . 60 ILE N . 15358 1 473 . 1 1 61 61 PRO HA H 1 4.105 . . 1 . . . . . 61 PRO HA . 15358 1 474 . 1 1 61 61 PRO HB2 H 1 1.756 . . 2 . . . . . 61 PRO HB1 . 15358 1 475 . 1 1 61 61 PRO HB3 H 1 2.072 . . 2 . . . . . 61 PRO HB2 . 15358 1 476 . 1 1 61 61 PRO HD2 H 1 3.597 . . 2 . . . . . 61 PRO HD1 . 15358 1 477 . 1 1 61 61 PRO HD3 H 1 3.870 . . 2 . . . . . 61 PRO HD2 . 15358 1 478 . 1 1 61 61 PRO HG2 H 1 1.915 . . 2 . . . . . 61 PRO HG1 . 15358 1 479 . 1 1 61 61 PRO HG3 H 1 2.066 . . 2 . . . . . 61 PRO HG2 . 15358 1 480 . 1 1 61 61 PRO CA C 13 64.800 . . 1 . . . . . 61 PRO CA . 15358 1 481 . 1 1 61 61 PRO CB C 13 31.271 . . 1 . . . . . 61 PRO CB . 15358 1 482 . 1 1 61 61 PRO CD C 13 51.236 . . 1 . . . . . 61 PRO CD . 15358 1 483 . 1 1 61 61 PRO CG C 13 27.952 . . 1 . . . . . 61 PRO CG . 15358 1 484 . 1 1 62 62 PHE HA H 1 4.560 . . 1 . . . . . 62 PHE HA . 15358 1 485 . 1 1 62 62 PHE HB2 H 1 3.274 . . 2 . . . . . 62 PHE HB1 . 15358 1 486 . 1 1 62 62 PHE HB3 H 1 3.316 . . 2 . . . . . 62 PHE HB2 . 15358 1 487 . 1 1 62 62 PHE CA C 13 58.476 . . 1 . . . . . 62 PHE CA . 15358 1 488 . 1 1 62 62 PHE CB C 13 37.121 . . 1 . . . . . 62 PHE CB . 15358 1 489 . 1 1 63 63 GLY H H 1 8.543 . . 1 . . . . . 63 GLY HN . 15358 1 490 . 1 1 63 63 GLY HA2 H 1 4.121 . . 2 . . . . . 63 GLY HA1 . 15358 1 491 . 1 1 63 63 GLY HA3 H 1 3.355 . . 2 . . . . . 63 GLY HA2 . 15358 1 492 . 1 1 63 63 GLY CA C 13 47.897 . . 1 . . . . . 63 GLY CA . 15358 1 493 . 1 1 63 63 GLY N N 15 110.590 . . 1 . . . . . 63 GLY N . 15358 1 494 . 1 1 64 64 THR H H 1 8.513 . . 1 . . . . . 64 THR HN . 15358 1 495 . 1 1 64 64 THR HA H 1 4.206 . . 1 . . . . . 64 THR HA . 15358 1 496 . 1 1 64 64 THR HB H 1 3.618 . . 1 . . . . . 64 THR HB . 15358 1 497 . 1 1 64 64 THR HG21 H 1 1.247 . . 1 . . . . . 64 THR HG21 . 15358 1 498 . 1 1 64 64 THR HG22 H 1 1.247 . . 1 . . . . . 64 THR HG21 . 15358 1 499 . 1 1 64 64 THR HG23 H 1 1.247 . . 1 . . . . . 64 THR HG21 . 15358 1 500 . 1 1 64 64 THR CA C 13 67.646 . . 1 . . . . . 64 THR CA . 15358 1 501 . 1 1 64 64 THR CB C 13 67.349 . . 1 . . . . . 64 THR CB . 15358 1 502 . 1 1 64 64 THR CG2 C 13 22.105 . . 1 . . . . . 64 THR CG2 . 15358 1 503 . 1 1 64 64 THR N N 15 114.538 . . 1 . . . . . 64 THR N . 15358 1 504 . 1 1 65 65 ARG H H 1 7.519 . . 1 . . . . . 65 ARG HN . 15358 1 505 . 1 1 65 65 ARG HA H 1 4.177 . . 1 . . . . . 65 ARG HA . 15358 1 506 . 1 1 65 65 ARG HB2 H 1 1.933 . . 2 . . . . . 65 ARG HB1 . 15358 1 507 . 1 1 65 65 ARG HB3 H 1 1.967 . . 2 . . . . . 65 ARG HB2 . 15358 1 508 . 1 1 65 65 ARG HD2 H 1 3.143 . . 2 . . . . . 65 ARG HD1 . 15358 1 509 . 1 1 65 65 ARG HD3 H 1 3.133 . . 2 . . . . . 65 ARG HD2 . 15358 1 510 . 1 1 65 65 ARG HG2 H 1 1.720 . . 2 . . . . . 65 ARG HG1 . 15358 1 511 . 1 1 65 65 ARG HG3 H 1 1.462 . . 2 . . . . . 65 ARG HG2 . 15358 1 512 . 1 1 65 65 ARG CA C 13 55.799 . . 1 . . . . . 65 ARG CA . 15358 1 513 . 1 1 65 65 ARG CB C 13 30.146 . . 1 . . . . . 65 ARG CB . 15358 1 514 . 1 1 65 65 ARG CD C 13 43.734 . . 1 . . . . . 65 ARG CD . 15358 1 515 . 1 1 65 65 ARG CG C 13 26.789 . . 1 . . . . . 65 ARG CG . 15358 1 516 . 1 1 65 65 ARG N N 15 121.940 . . 1 . . . . . 65 ARG N . 15358 1 517 . 1 1 66 66 GLU H H 1 8.453 . . 1 . . . . . 66 GLU HN . 15358 1 518 . 1 1 66 66 GLU HA H 1 4.268 . . 1 . . . . . 66 GLU HA . 15358 1 519 . 1 1 66 66 GLU HB2 H 1 2.076 . . 2 . . . . . 66 GLU HB1 . 15358 1 520 . 1 1 66 66 GLU HB3 H 1 2.107 . . 2 . . . . . 66 GLU HB2 . 15358 1 521 . 1 1 66 66 GLU HG2 H 1 2.313 . . 2 . . . . . 66 GLU HG1 . 15358 1 522 . 1 1 66 66 GLU HG3 H 1 2.466 . . 2 . . . . . 66 GLU HG2 . 15358 1 523 . 1 1 66 66 GLU CA C 13 58.981 . . 1 . . . . . 66 GLU CA . 15358 1 524 . 1 1 66 66 GLU CB C 13 28.477 . . 1 . . . . . 66 GLU CB . 15358 1 525 . 1 1 66 66 GLU CG C 13 36.257 . . 1 . . . . . 66 GLU CG . 15358 1 526 . 1 1 66 66 GLU N N 15 120.459 . . 1 . . . . . 66 GLU N . 15358 1 527 . 1 1 67 67 CYS H H 1 8.467 . . 1 . . . . . 67 CYS HN . 15358 1 528 . 1 1 67 67 CYS HA H 1 4.619 . . 1 . . . . . 67 CYS HA . 15358 1 529 . 1 1 67 67 CYS HB2 H 1 3.099 . . 2 . . . . . 67 CYS HB1 . 15358 1 530 . 1 1 67 67 CYS HB3 H 1 3.151 . . 2 . . . . . 67 CYS HB2 . 15358 1 531 . 1 1 67 67 CYS CA C 13 59.277 . . 1 . . . . . 67 CYS CA . 15358 1 532 . 1 1 67 67 CYS CB C 13 39.315 . . 1 . . . . . 67 CYS CB . 15358 1 533 . 1 1 67 67 CYS N N 15 121.446 . . 1 . . . . . 67 CYS N . 15358 1 534 . 1 1 68 68 ASP H H 1 8.002 . . 1 . . . . . 68 ASP HN . 15358 1 535 . 1 1 68 68 ASP HA H 1 4.514 . . 1 . . . . . 68 ASP HA . 15358 1 536 . 1 1 68 68 ASP HB2 H 1 2.684 . . 2 . . . . . 68 ASP HB1 . 15358 1 537 . 1 1 68 68 ASP HB3 H 1 2.810 . . 2 . . . . . 68 ASP HB2 . 15358 1 538 . 1 1 68 68 ASP CA C 13 57.902 . . 1 . . . . . 68 ASP CA . 15358 1 539 . 1 1 68 68 ASP CB C 13 40.393 . . 1 . . . . . 68 ASP CB . 15358 1 540 . 1 1 68 68 ASP N N 15 120.459 . . 1 . . . . . 68 ASP N . 15358 1 541 . 1 1 69 69 HIS H H 1 8.564 . . 1 . . . . . 69 HIS HN . 15358 1 542 . 1 1 69 69 HIS HA H 1 4.510 . . 1 . . . . . 69 HIS HA . 15358 1 543 . 1 1 69 69 HIS HB2 H 1 3.375 . . 2 . . . . . 69 HIS HB1 . 15358 1 544 . 1 1 69 69 HIS HB3 H 1 3.400 . . 2 . . . . . 69 HIS HB2 . 15358 1 545 . 1 1 69 69 HIS CA C 13 58.127 . . 1 . . . . . 69 HIS CA . 15358 1 546 . 1 1 69 69 HIS CB C 13 28.480 . . 1 . . . . . 69 HIS CB . 15358 1 547 . 1 1 69 69 HIS N N 15 119.246 . . 1 . . . . . 69 HIS N . 15358 1 548 . 1 1 70 70 TYR H H 1 8.765 . . 1 . . . . . 70 TYR HN . 15358 1 549 . 1 1 70 70 TYR HA H 1 3.706 . . 1 . . . . . 70 TYR HA . 15358 1 550 . 1 1 70 70 TYR HB2 H 1 3.460 . . 2 . . . . . 70 TYR HB1 . 15358 1 551 . 1 1 70 70 TYR HB3 H 1 3.205 . . 2 . . . . . 70 TYR HB2 . 15358 1 552 . 1 1 70 70 TYR HD1 H 1 7.589 . . 1 . . . . . 70 TYR HD1 . 15358 1 553 . 1 1 70 70 TYR CA C 13 63.989 . . 1 . . . . . 70 TYR CA . 15358 1 554 . 1 1 70 70 TYR CB C 13 40.145 . . 1 . . . . . 70 TYR CB . 15358 1 555 . 1 1 70 70 TYR N N 15 125.887 . . 1 . . . . . 70 TYR N . 15358 1 556 . 1 1 71 71 VAL H H 1 8.295 . . 1 . . . . . 71 VAL HN . 15358 1 557 . 1 1 71 71 VAL HA H 1 3.554 . . 1 . . . . . 71 VAL HA . 15358 1 558 . 1 1 71 71 VAL HB H 1 2.459 . . 1 . . . . . 71 VAL HB . 15358 1 559 . 1 1 71 71 VAL HG11 H 1 1.448 . . 2 . . . . . 71 VAL HG1 . 15358 1 560 . 1 1 71 71 VAL HG12 H 1 1.448 . . 2 . . . . . 71 VAL HG1 . 15358 1 561 . 1 1 71 71 VAL HG13 H 1 1.448 . . 2 . . . . . 71 VAL HG1 . 15358 1 562 . 1 1 71 71 VAL HG21 H 1 1.024 . . 2 . . . . . 71 VAL HG2 . 15358 1 563 . 1 1 71 71 VAL HG22 H 1 1.024 . . 2 . . . . . 71 VAL HG2 . 15358 1 564 . 1 1 71 71 VAL HG23 H 1 1.024 . . 2 . . . . . 71 VAL HG2 . 15358 1 565 . 1 1 71 71 VAL CA C 13 67.021 . . 1 . . . . . 71 VAL CA . 15358 1 566 . 1 1 71 71 VAL CB C 13 32.084 . . 1 . . . . . 71 VAL CB . 15358 1 567 . 1 1 71 71 VAL CG1 C 13 24.287 . . 2 . . . . . 71 VAL CG1 . 15358 1 568 . 1 1 71 71 VAL CG2 C 13 21.555 . . 2 . . . . . 71 VAL CG2 . 15358 1 569 . 1 1 71 71 VAL N N 15 118.239 . . 1 . . . . . 71 VAL N . 15358 1 570 . 1 1 72 72 ASN H H 1 7.511 . . 1 . . . . . 72 ASN HN . 15358 1 571 . 1 1 72 72 ASN HA H 1 4.558 . . 1 . . . . . 72 ASN HA . 15358 1 572 . 1 1 72 72 ASN HB2 H 1 2.776 . . 2 . . . . . 72 ASN HB1 . 15358 1 573 . 1 1 72 72 ASN HB3 H 1 2.801 . . 2 . . . . . 72 ASN HB2 . 15358 1 574 . 1 1 72 72 ASN CA C 13 55.116 . . 1 . . . . . 72 ASN CA . 15358 1 575 . 1 1 72 72 ASN CB C 13 39.569 . . 1 . . . . . 72 ASN CB . 15358 1 576 . 1 1 72 72 ASN N N 15 116.018 . . 1 . . . . . 72 ASN N . 15358 1 577 . 1 1 73 73 SER H H 1 7.709 . . 1 . . . . . 73 SER HN . 15358 1 578 . 1 1 73 73 SER HA H 1 4.633 . . 1 . . . . . 73 SER HA . 15358 1 579 . 1 1 73 73 SER HB2 H 1 3.548 . . 2 . . . . . 73 SER HB1 . 15358 1 580 . 1 1 73 73 SER HB3 H 1 3.450 . . 2 . . . . . 73 SER HB2 . 15358 1 581 . 1 1 73 73 SER CA C 13 59.832 . . 1 . . . . . 73 SER CA . 15358 1 582 . 1 1 73 73 SER CB C 13 65.899 . . 1 . . . . . 73 SER CB . 15358 1 583 . 1 1 73 73 SER N N 15 110.837 . . 1 . . . . . 73 SER N . 15358 1 584 . 1 1 74 74 LYS H H 1 7.942 . . 1 . . . . . 74 LYS HN . 15358 1 585 . 1 1 74 74 LYS HA H 1 4.280 . . 1 . . . . . 74 LYS HA . 15358 1 586 . 1 1 74 74 LYS HB2 H 1 0.134 . . 2 . . . . . 74 LYS HB1 . 15358 1 587 . 1 1 74 74 LYS HB3 H 1 0.860 . . 2 . . . . . 74 LYS HB2 . 15358 1 588 . 1 1 74 74 LYS HD2 H 1 1.221 . . 2 . . . . . 74 LYS HD1 . 15358 1 589 . 1 1 74 74 LYS HD3 H 1 1.398 . . 2 . . . . . 74 LYS HD2 . 15358 1 590 . 1 1 74 74 LYS HE2 H 1 2.799 . . 2 . . . . . 74 LYS HE1 . 15358 1 591 . 1 1 74 74 LYS HG2 H 1 0.743 . . 2 . . . . . 74 LYS HG1 . 15358 1 592 . 1 1 74 74 LYS HG3 H 1 0.990 . . 2 . . . . . 74 LYS HG2 . 15358 1 593 . 1 1 74 74 LYS CA C 13 55.124 . . 1 . . . . . 74 LYS CA . 15358 1 594 . 1 1 74 74 LYS CB C 13 33.198 . . 1 . . . . . 74 LYS CB . 15358 1 595 . 1 1 74 74 LYS CD C 13 27.660 . . 1 . . . . . 74 LYS CD . 15358 1 596 . 1 1 74 74 LYS CE C 13 42.080 . . 1 . . . . . 74 LYS CE . 15358 1 597 . 1 1 74 74 LYS CG C 13 24.338 . . 1 . . . . . 74 LYS CG . 15358 1 598 . 1 1 74 74 LYS N N 15 120.706 . . 1 . . . . . 74 LYS N . 15358 1 599 . 1 1 75 75 VAL H H 1 7.227 . . 1 . . . . . 75 VAL HN . 15358 1 600 . 1 1 75 75 VAL HA H 1 3.315 . . 1 . . . . . 75 VAL HA . 15358 1 601 . 1 1 75 75 VAL HB H 1 1.870 . . 1 . . . . . 75 VAL HB . 15358 1 602 . 1 1 75 75 VAL HG11 H 1 0.751 . . 2 . . . . . 75 VAL HG1 . 15358 1 603 . 1 1 75 75 VAL HG12 H 1 0.751 . . 2 . . . . . 75 VAL HG1 . 15358 1 604 . 1 1 75 75 VAL HG13 H 1 0.751 . . 2 . . . . . 75 VAL HG1 . 15358 1 605 . 1 1 75 75 VAL HG21 H 1 0.650 . . 2 . . . . . 75 VAL HG2 . 15358 1 606 . 1 1 75 75 VAL HG22 H 1 0.650 . . 2 . . . . . 75 VAL HG2 . 15358 1 607 . 1 1 75 75 VAL HG23 H 1 0.650 . . 2 . . . . . 75 VAL HG2 . 15358 1 608 . 1 1 75 75 VAL CA C 13 67.599 . . 1 . . . . . 75 VAL CA . 15358 1 609 . 1 1 75 75 VAL CB C 13 31.540 . . 1 . . . . . 75 VAL CB . 15358 1 610 . 1 1 75 75 VAL CG1 C 13 22.387 . . 2 . . . . . 75 VAL CG1 . 15358 1 611 . 1 1 75 75 VAL CG2 C 13 25.141 . . 2 . . . . . 75 VAL CG2 . 15358 1 612 . 1 1 75 75 VAL N N 15 120.147 . . 1 . . . . . 75 VAL N . 15358 1 613 . 1 1 76 76 ASP H H 1 8.851 . . 1 . . . . . 76 ASP HN . 15358 1 614 . 1 1 76 76 ASP HA H 1 4.402 . . 1 . . . . . 76 ASP HA . 15358 1 615 . 1 1 76 76 ASP HB2 H 1 2.501 . . 2 . . . . . 76 ASP HB1 . 15358 1 616 . 1 1 76 76 ASP HB3 H 1 2.332 . . 2 . . . . . 76 ASP HB2 . 15358 1 617 . 1 1 76 76 ASP CA C 13 59.568 . . 1 . . . . . 76 ASP CA . 15358 1 618 . 1 1 76 76 ASP CB C 13 37.667 . . 1 . . . . . 76 ASP CB . 15358 1 619 . 1 1 76 76 ASP N N 15 117.992 . . 1 . . . . . 76 ASP N . 15358 1 620 . 1 1 77 77 PRO HA H 1 4.158 . . 1 . . . . . 77 PRO HA . 15358 1 621 . 1 1 77 77 PRO HB2 H 1 1.701 . . 2 . . . . . 77 PRO HB1 . 15358 1 622 . 1 1 77 77 PRO HB3 H 1 2.239 . . 2 . . . . . 77 PRO HB2 . 15358 1 623 . 1 1 77 77 PRO HD2 H 1 3.270 . . 2 . . . . . 77 PRO HD1 . 15358 1 624 . 1 1 77 77 PRO HG2 H 1 2.100 . . 2 . . . . . 77 PRO HG1 . 15358 1 625 . 1 1 77 77 PRO HG3 H 1 1.866 . . 2 . . . . . 77 PRO HG2 . 15358 1 626 . 1 1 77 77 PRO CA C 13 66.237 . . 1 . . . . . 77 PRO CA . 15358 1 627 . 1 1 77 77 PRO CB C 13 31.347 . . 1 . . . . . 77 PRO CB . 15358 1 628 . 1 1 77 77 PRO CD C 13 49.590 . . 1 . . . . . 77 PRO CD . 15358 1 629 . 1 1 77 77 PRO CG C 13 27.660 . . 1 . . . . . 77 PRO CG . 15358 1 630 . 1 1 78 78 ILE H H 1 7.243 . . 1 . . . . . 78 ILE HN . 15358 1 631 . 1 1 78 78 ILE HA H 1 3.315 . . 1 . . . . . 78 ILE HA . 15358 1 632 . 1 1 78 78 ILE HB H 1 1.811 . . 1 . . . . . 78 ILE HB . 15358 1 633 . 1 1 78 78 ILE HD11 H 1 0.956 . . 1 . . . . . 78 ILE HD1 . 15358 1 634 . 1 1 78 78 ILE HD12 H 1 0.956 . . 1 . . . . . 78 ILE HD1 . 15358 1 635 . 1 1 78 78 ILE HD13 H 1 0.956 . . 1 . . . . . 78 ILE HD1 . 15358 1 636 . 1 1 78 78 ILE HG12 H 1 0.666 . . 2 . . . . . 78 ILE HG11 . 15358 1 637 . 1 1 78 78 ILE HG13 H 1 1.703 . . 2 . . . . . 78 ILE HG12 . 15358 1 638 . 1 1 78 78 ILE HG21 H 1 0.616 . . 1 . . . . . 78 ILE HG2 . 15358 1 639 . 1 1 78 78 ILE HG22 H 1 0.616 . . 1 . . . . . 78 ILE HG2 . 15358 1 640 . 1 1 78 78 ILE HG23 H 1 0.616 . . 1 . . . . . 78 ILE HG2 . 15358 1 641 . 1 1 78 78 ILE CA C 13 65.957 . . 1 . . . . . 78 ILE CA . 15358 1 642 . 1 1 78 78 ILE CB C 13 38.787 . . 1 . . . . . 78 ILE CB . 15358 1 643 . 1 1 78 78 ILE CD1 C 13 16.909 . . 1 . . . . . 78 ILE CD1 . 15358 1 644 . 1 1 78 78 ILE CG1 C 13 29.817 . . 1 . . . . . 78 ILE CG1 . 15358 1 645 . 1 1 78 78 ILE CG2 C 13 17.681 . . 1 . . . . . 78 ILE CG2 . 15358 1 646 . 1 1 78 78 ILE N N 15 119.472 . . 1 . . . . . 78 ILE N . 15358 1 647 . 1 1 79 79 ILE H H 1 8.180 . . 1 . . . . . 79 ILE HN . 15358 1 648 . 1 1 79 79 ILE HA H 1 3.218 . . 1 . . . . . 79 ILE HA . 15358 1 649 . 1 1 79 79 ILE HB H 1 1.938 . . 1 . . . . . 79 ILE HB . 15358 1 650 . 1 1 79 79 ILE HD11 H 1 0.805 . . 1 . . . . . 79 ILE HD1 . 15358 1 651 . 1 1 79 79 ILE HD12 H 1 0.805 . . 1 . . . . . 79 ILE HD1 . 15358 1 652 . 1 1 79 79 ILE HD13 H 1 0.805 . . 1 . . . . . 79 ILE HD1 . 15358 1 653 . 1 1 79 79 ILE HG12 H 1 0.905 . . 2 . . . . . 79 ILE HG11 . 15358 1 654 . 1 1 79 79 ILE HG13 H 1 1.706 . . 2 . . . . . 79 ILE HG12 . 15358 1 655 . 1 1 79 79 ILE HG21 H 1 0.892 . . 1 . . . . . 79 ILE HG2 . 15358 1 656 . 1 1 79 79 ILE HG22 H 1 0.892 . . 1 . . . . . 79 ILE HG2 . 15358 1 657 . 1 1 79 79 ILE HG23 H 1 0.892 . . 1 . . . . . 79 ILE HG2 . 15358 1 658 . 1 1 79 79 ILE CA C 13 65.939 . . 1 . . . . . 79 ILE CA . 15358 1 659 . 1 1 79 79 ILE CB C 13 37.344 . . 1 . . . . . 79 ILE CB . 15358 1 660 . 1 1 79 79 ILE CD1 C 13 13.784 . . 1 . . . . . 79 ILE CD1 . 15358 1 661 . 1 1 79 79 ILE CG1 C 13 29.067 . . 1 . . . . . 79 ILE CG1 . 15358 1 662 . 1 1 79 79 ILE CG2 C 13 17.116 . . 1 . . . . . 79 ILE CG2 . 15358 1 663 . 1 1 79 79 ILE N N 15 119.472 . . 1 . . . . . 79 ILE N . 15358 1 664 . 1 1 80 80 HIS H H 1 8.671 . . 1 . . . . . 80 HIS HN . 15358 1 665 . 1 1 80 80 HIS HA H 1 4.351 . . 1 . . . . . 80 HIS HA . 15358 1 666 . 1 1 80 80 HIS HB2 H 1 3.197 . . 2 . . . . . 80 HIS HB1 . 15358 1 667 . 1 1 80 80 HIS HB3 H 1 3.216 . . 2 . . . . . 80 HIS HB2 . 15358 1 668 . 1 1 80 80 HIS HD2 H 1 7.731 . . 1 . . . . . 80 HIS HD2 . 15358 1 669 . 1 1 80 80 HIS HE1 H 1 7.205 . . 1 . . . . . 80 HIS HE1 . 15358 1 670 . 1 1 80 80 HIS CA C 13 58.731 . . 1 . . . . . 80 HIS CA . 15358 1 671 . 1 1 80 80 HIS CB C 13 27.913 . . 1 . . . . . 80 HIS CB . 15358 1 672 . 1 1 80 80 HIS N N 15 117.252 . . 1 . . . . . 80 HIS N . 15358 1 673 . 1 1 81 81 GLU H H 1 7.720 . . 1 . . . . . 81 GLU HN . 15358 1 674 . 1 1 81 81 GLU HA H 1 3.852 . . 1 . . . . . 81 GLU HA . 15358 1 675 . 1 1 81 81 GLU HB2 H 1 1.922 . . 2 . . . . . 81 GLU HB1 . 15358 1 676 . 1 1 81 81 GLU HB3 H 1 2.164 . . 2 . . . . . 81 GLU HB2 . 15358 1 677 . 1 1 81 81 GLU HG2 H 1 2.037 . . 2 . . . . . 81 GLU HG1 . 15358 1 678 . 1 1 81 81 GLU HG3 H 1 2.335 . . 2 . . . . . 81 GLU HG2 . 15358 1 679 . 1 1 81 81 GLU CA C 13 58.752 . . 1 . . . . . 81 GLU CA . 15358 1 680 . 1 1 81 81 GLU CB C 13 29.862 . . 1 . . . . . 81 GLU CB . 15358 1 681 . 1 1 81 81 GLU CG C 13 36.247 . . 1 . . . . . 81 GLU CG . 15358 1 682 . 1 1 81 81 GLU N N 15 120.459 . . 1 . . . . . 81 GLU N . 15358 1 683 . 1 1 82 82 LEU H H 1 7.760 . . 1 . . . . . 82 LEU HN . 15358 1 684 . 1 1 82 82 LEU HA H 1 3.957 . . 1 . . . . . 82 LEU HA . 15358 1 685 . 1 1 82 82 LEU HB2 H 1 0.798 . . 2 . . . . . 82 LEU HB1 . 15358 1 686 . 1 1 82 82 LEU HB3 H 1 1.347 . . 2 . . . . . 82 LEU HB2 . 15358 1 687 . 1 1 82 82 LEU HD11 H 1 0.354 . . 2 . . . . . 82 LEU HD1 . 15358 1 688 . 1 1 82 82 LEU HD12 H 1 0.354 . . 2 . . . . . 82 LEU HD1 . 15358 1 689 . 1 1 82 82 LEU HD13 H 1 0.354 . . 2 . . . . . 82 LEU HD1 . 15358 1 690 . 1 1 82 82 LEU HD21 H 1 0.609 . . 2 . . . . . 82 LEU HD2 . 15358 1 691 . 1 1 82 82 LEU HD22 H 1 0.609 . . 2 . . . . . 82 LEU HD2 . 15358 1 692 . 1 1 82 82 LEU HD23 H 1 0.609 . . 2 . . . . . 82 LEU HD2 . 15358 1 693 . 1 1 82 82 LEU HG H 1 1.481 . . 1 . . . . . 82 LEU HG . 15358 1 694 . 1 1 82 82 LEU CA C 13 57.607 . . 1 . . . . . 82 LEU CA . 15358 1 695 . 1 1 82 82 LEU CB C 13 41.225 . . 1 . . . . . 82 LEU CB . 15358 1 696 . 1 1 82 82 LEU CD1 C 13 26.558 . . 2 . . . . . 82 LEU CD1 . 15358 1 697 . 1 1 82 82 LEU CD2 C 13 23.772 . . 2 . . . . . 82 LEU CD2 . 15358 1 698 . 1 1 82 82 LEU CG C 13 27.102 . . 1 . . . . . 82 LEU CG . 15358 1 699 . 1 1 82 82 LEU N N 15 121.199 . . 1 . . . . . 82 LEU N . 15358 1 700 . 1 1 83 83 GLU H H 1 8.885 . . 1 . . . . . 83 GLU HN . 15358 1 701 . 1 1 83 83 GLU HA H 1 3.975 . . 1 . . . . . 83 GLU HA . 15358 1 702 . 1 1 83 83 GLU HB2 H 1 1.978 . . 2 . . . . . 83 GLU HB1 . 15358 1 703 . 1 1 83 83 GLU HB3 H 1 2.114 . . 2 . . . . . 83 GLU HB2 . 15358 1 704 . 1 1 83 83 GLU HG2 H 1 2.520 . . 2 . . . . . 83 GLU HG1 . 15358 1 705 . 1 1 83 83 GLU HG3 H 1 2.381 . . 2 . . . . . 83 GLU HG2 . 15358 1 706 . 1 1 83 83 GLU CA C 13 58.691 . . 1 . . . . . 83 GLU CA . 15358 1 707 . 1 1 83 83 GLU CB C 13 29.311 . . 1 . . . . . 83 GLU CB . 15358 1 708 . 1 1 83 83 GLU CG C 13 36.489 . . 1 . . . . . 83 GLU CG . 15358 1 709 . 1 1 83 83 GLU N N 15 121.199 . . 1 . . . . . 83 GLU N . 15358 1 710 . 1 1 84 84 GLY H H 1 7.496 . . 1 . . . . . 84 GLY HN . 15358 1 711 . 1 1 84 84 GLY HA2 H 1 4.085 . . 2 . . . . . 84 GLY HA1 . 15358 1 712 . 1 1 84 84 GLY HA3 H 1 3.768 . . 2 . . . . . 84 GLY HA2 . 15358 1 713 . 1 1 84 84 GLY CA C 13 45.046 . . 1 . . . . . 84 GLY CA . 15358 1 714 . 1 1 84 84 GLY N N 15 105.656 . . 1 . . . . . 84 GLY N . 15358 1 715 . 1 1 85 85 GLY H H 1 7.473 . . 1 . . . . . 85 GLY HN . 15358 1 716 . 1 1 85 85 GLY HA2 H 1 4.367 . . 2 . . . . . 85 GLY HA1 . 15358 1 717 . 1 1 85 85 GLY HA3 H 1 3.623 . . 2 . . . . . 85 GLY HA2 . 15358 1 718 . 1 1 85 85 GLY CA C 13 44.875 . . 1 . . . . . 85 GLY CA . 15358 1 719 . 1 1 85 85 GLY N N 15 106.396 . . 1 . . . . . 85 GLY N . 15358 1 720 . 1 1 86 86 THR H H 1 7.672 . . 1 . . . . . 86 THR HN . 15358 1 721 . 1 1 86 86 THR HA H 1 3.900 . . 1 . . . . . 86 THR HA . 15358 1 722 . 1 1 86 86 THR HB H 1 3.588 . . 1 . . . . . 86 THR HB . 15358 1 723 . 1 1 86 86 THR HG21 H 1 1.166 . . 1 . . . . . 86 THR HG21 . 15358 1 724 . 1 1 86 86 THR HG22 H 1 1.166 . . 1 . . . . . 86 THR HG21 . 15358 1 725 . 1 1 86 86 THR HG23 H 1 1.166 . . 1 . . . . . 86 THR HG21 . 15358 1 726 . 1 1 86 86 THR CA C 13 63.478 . . 1 . . . . . 86 THR CA . 15358 1 727 . 1 1 86 86 THR CB C 13 68.169 . . 1 . . . . . 86 THR CB . 15358 1 728 . 1 1 86 86 THR CG2 C 13 22.660 . . 1 . . . . . 86 THR CG2 . 15358 1 729 . 1 1 86 86 THR N N 15 120.706 . . 1 . . . . . 86 THR N . 15358 1 730 . 1 1 87 87 ALA H H 1 9.043 . . 1 . . . . . 87 ALA HN . 15358 1 731 . 1 1 87 87 ALA HA H 1 4.383 . . 1 . . . . . 87 ALA HA . 15358 1 732 . 1 1 87 87 ALA HB1 H 1 1.393 . . 1 . . . . . 87 ALA HB1 . 15358 1 733 . 1 1 87 87 ALA HB2 H 1 1.393 . . 1 . . . . . 87 ALA HB1 . 15358 1 734 . 1 1 87 87 ALA HB3 H 1 1.393 . . 1 . . . . . 87 ALA HB1 . 15358 1 735 . 1 1 87 87 ALA CA C 13 50.940 . . 1 . . . . . 87 ALA CA . 15358 1 736 . 1 1 87 87 ALA CB C 13 17.375 . . 1 . . . . . 87 ALA CB . 15358 1 737 . 1 1 87 87 ALA N N 15 132.796 . . 1 . . . . . 87 ALA N . 15358 1 738 . 1 1 88 88 PRO HA H 1 3.959 . . 1 . . . . . 88 PRO HA . 15358 1 739 . 1 1 88 88 PRO HB2 H 1 2.085 . . 2 . . . . . 88 PRO HB1 . 15358 1 740 . 1 1 88 88 PRO HB3 H 1 1.921 . . 2 . . . . . 88 PRO HB2 . 15358 1 741 . 1 1 88 88 PRO HD2 H 1 3.805 . . 2 . . . . . 88 PRO HD1 . 15358 1 742 . 1 1 88 88 PRO HG2 H 1 2.185 . . 2 . . . . . 88 PRO HG1 . 15358 1 743 . 1 1 88 88 PRO HG3 H 1 1.873 . . 2 . . . . . 88 PRO HG2 . 15358 1 744 . 1 1 88 88 PRO CA C 13 66.206 . . 1 . . . . . 88 PRO CA . 15358 1 745 . 1 1 88 88 PRO CB C 13 32.105 . . 1 . . . . . 88 PRO CB . 15358 1 746 . 1 1 88 88 PRO CD C 13 50.683 . . 1 . . . . . 88 PRO CD . 15358 1 747 . 1 1 88 88 PRO CG C 13 27.665 . . 1 . . . . . 88 PRO CG . 15358 1 748 . 1 1 89 89 LYS H H 1 8.127 . . 1 . . . . . 89 LYS HN . 15358 1 749 . 1 1 89 89 LYS HA H 1 4.158 . . 1 . . . . . 89 LYS HA . 15358 1 750 . 1 1 89 89 LYS HB2 H 1 1.731 . . 2 . . . . . 89 LYS HB1 . 15358 1 751 . 1 1 89 89 LYS HB3 H 1 1.781 . . 2 . . . . . 89 LYS HB2 . 15358 1 752 . 1 1 89 89 LYS HD2 H 1 1.602 . . 2 . . . . . 89 LYS HD1 . 15358 1 753 . 1 1 89 89 LYS HD3 H 1 1.531 . . 2 . . . . . 89 LYS HD2 . 15358 1 754 . 1 1 89 89 LYS HE2 H 1 2.902 . . 2 . . . . . 89 LYS HE1 . 15358 1 755 . 1 1 89 89 LYS HG2 H 1 1.251 . . 2 . . . . . 89 LYS HG1 . 15358 1 756 . 1 1 89 89 LYS HG3 H 1 1.301 . . 2 . . . . . 89 LYS HG2 . 15358 1 757 . 1 1 89 89 LYS CA C 13 57.865 . . 1 . . . . . 89 LYS CA . 15358 1 758 . 1 1 89 89 LYS CB C 13 31.817 . . 1 . . . . . 89 LYS CB . 15358 1 759 . 1 1 89 89 LYS CD C 13 29.314 . . 1 . . . . . 89 LYS CD . 15358 1 760 . 1 1 89 89 LYS CE C 13 41.808 . . 1 . . . . . 89 LYS CE . 15358 1 761 . 1 1 89 89 LYS CG C 13 24.072 . . 1 . . . . . 89 LYS CG . 15358 1 762 . 1 1 89 89 LYS N N 15 112.811 . . 1 . . . . . 89 LYS N . 15358 1 763 . 1 1 90 90 ASP H H 1 7.953 . . 1 . . . . . 90 ASP HN . 15358 1 764 . 1 1 90 90 ASP HA H 1 4.862 . . 1 . . . . . 90 ASP HA . 15358 1 765 . 1 1 90 90 ASP HB2 H 1 2.694 . . 2 . . . . . 90 ASP HB1 . 15358 1 766 . 1 1 90 90 ASP HB3 H 1 2.522 . . 2 . . . . . 90 ASP HB2 . 15358 1 767 . 1 1 90 90 ASP CA C 13 55.394 . . 1 . . . . . 90 ASP CA . 15358 1 768 . 1 1 90 90 ASP CB C 13 42.883 . . 1 . . . . . 90 ASP CB . 15358 1 769 . 1 1 90 90 ASP N N 15 117.971 . . 1 . . . . . 90 ASP N . 15358 1 770 . 1 1 91 91 VAL H H 1 7.144 . . 1 . . . . . 91 VAL HN . 15358 1 771 . 1 1 91 91 VAL HA H 1 3.310 . . 1 . . . . . 91 VAL HA . 15358 1 772 . 1 1 91 91 VAL HB H 1 1.846 . . 1 . . . . . 91 VAL HB . 15358 1 773 . 1 1 91 91 VAL HG11 H 1 0.855 . . 2 . . . . . 91 VAL HG1 . 15358 1 774 . 1 1 91 91 VAL HG12 H 1 0.855 . . 2 . . . . . 91 VAL HG1 . 15358 1 775 . 1 1 91 91 VAL HG13 H 1 0.855 . . 2 . . . . . 91 VAL HG1 . 15358 1 776 . 1 1 91 91 VAL HG21 H 1 0.832 . . 2 . . . . . 91 VAL HG2 . 15358 1 777 . 1 1 91 91 VAL HG22 H 1 0.832 . . 2 . . . . . 91 VAL HG2 . 15358 1 778 . 1 1 91 91 VAL HG23 H 1 0.832 . . 2 . . . . . 91 VAL HG2 . 15358 1 779 . 1 1 91 91 VAL CA C 13 67.622 . . 1 . . . . . 91 VAL CA . 15358 1 780 . 1 1 91 91 VAL CB C 13 31.798 . . 1 . . . . . 91 VAL CB . 15358 1 781 . 1 1 91 91 VAL CG1 C 13 23.904 . . 2 . . . . . 91 VAL CG1 . 15358 1 782 . 1 1 91 91 VAL CG2 C 13 22.250 . . 2 . . . . . 91 VAL CG2 . 15358 1 783 . 1 1 91 91 VAL N N 15 120.213 . . 1 . . . . . 91 VAL N . 15358 1 784 . 1 1 92 92 CYS H H 1 8.772 . . 1 . . . . . 92 CYS HN . 15358 1 785 . 1 1 92 92 CYS HA H 1 4.164 . . 1 . . . . . 92 CYS HA . 15358 1 786 . 1 1 92 92 CYS HB2 H 1 2.785 . . 2 . . . . . 92 CYS HB1 . 15358 1 787 . 1 1 92 92 CYS HB3 H 1 2.899 . . 2 . . . . . 92 CYS HB2 . 15358 1 788 . 1 1 92 92 CYS CA C 13 58.998 . . 1 . . . . . 92 CYS CA . 15358 1 789 . 1 1 92 92 CYS CB C 13 41.242 . . 1 . . . . . 92 CYS CB . 15358 1 790 . 1 1 92 92 CYS N N 15 117.947 . . 1 . . . . . 92 CYS N . 15358 1 791 . 1 1 93 93 THR H H 1 8.347 . . 1 . . . . . 93 THR HN . 15358 1 792 . 1 1 93 93 THR HA H 1 4.418 . . 1 . . . . . 93 THR HA . 15358 1 793 . 1 1 93 93 THR HB H 1 3.917 . . 1 . . . . . 93 THR HB . 15358 1 794 . 1 1 93 93 THR HG21 H 1 1.162 . . 1 . . . . . 93 THR HG21 . 15358 1 795 . 1 1 93 93 THR HG22 H 1 1.162 . . 1 . . . . . 93 THR HG21 . 15358 1 796 . 1 1 93 93 THR HG23 H 1 1.162 . . 1 . . . . . 93 THR HG21 . 15358 1 797 . 1 1 93 93 THR CA C 13 64.824 . . 1 . . . . . 93 THR CA . 15358 1 798 . 1 1 93 93 THR CB C 13 68.177 . . 1 . . . . . 93 THR CB . 15358 1 799 . 1 1 93 93 THR CG2 C 13 21.855 . . 1 . . . . . 93 THR CG2 . 15358 1 800 . 1 1 93 93 THR N N 15 120.232 . . 1 . . . . . 93 THR N . 15358 1 801 . 1 1 94 94 LYS H H 1 8.254 . . 1 . . . . . 94 LYS HN . 15358 1 802 . 1 1 94 94 LYS HA H 1 3.926 . . 1 . . . . . 94 LYS HA . 15358 1 803 . 1 1 94 94 LYS HB2 H 1 1.787 . . 2 . . . . . 94 LYS HB1 . 15358 1 804 . 1 1 94 94 LYS HB3 H 1 1.893 . . 2 . . . . . 94 LYS HB2 . 15358 1 805 . 1 1 94 94 LYS HD2 H 1 1.403 . . 2 . . . . . 94 LYS HD1 . 15358 1 806 . 1 1 94 94 LYS HD3 H 1 1.553 . . 2 . . . . . 94 LYS HD2 . 15358 1 807 . 1 1 94 94 LYS HG2 H 1 1.183 . . 2 . . . . . 94 LYS HG1 . 15358 1 808 . 1 1 94 94 LYS HG3 H 1 1.357 . . 2 . . . . . 94 LYS HG2 . 15358 1 809 . 1 1 94 94 LYS CA C 13 60.106 . . 1 . . . . . 94 LYS CA . 15358 1 810 . 1 1 94 94 LYS CB C 13 32.657 . . 1 . . . . . 94 LYS CB . 15358 1 811 . 1 1 94 94 LYS CD C 13 30.142 . . 1 . . . . . 94 LYS CD . 15358 1 812 . 1 1 94 94 LYS CG C 13 25.427 . . 1 . . . . . 94 LYS CG . 15358 1 813 . 1 1 94 94 LYS N N 15 126.669 . . 1 . . . . . 94 LYS N . 15358 1 814 . 1 1 95 95 LEU H H 1 7.621 . . 1 . . . . . 95 LEU HN . 15358 1 815 . 1 1 95 95 LEU HA H 1 4.205 . . 1 . . . . . 95 LEU HA . 15358 1 816 . 1 1 95 95 LEU HB2 H 1 1.769 . . 2 . . . . . 95 LEU HB1 . 15358 1 817 . 1 1 95 95 LEU HB3 H 1 1.536 . . 2 . . . . . 95 LEU HB2 . 15358 1 818 . 1 1 95 95 LEU HD11 H 1 0.735 . . 2 . . . . . 95 LEU HD1 . 15358 1 819 . 1 1 95 95 LEU HD12 H 1 0.735 . . 2 . . . . . 95 LEU HD1 . 15358 1 820 . 1 1 95 95 LEU HD13 H 1 0.735 . . 2 . . . . . 95 LEU HD1 . 15358 1 821 . 1 1 95 95 LEU HG H 1 0.673 . . 1 . . . . . 95 LEU HG . 15358 1 822 . 1 1 95 95 LEU CA C 13 54.854 . . 1 . . . . . 95 LEU CA . 15358 1 823 . 1 1 95 95 LEU CB C 13 42.372 . . 1 . . . . . 95 LEU CB . 15358 1 824 . 1 1 95 95 LEU CD1 C 13 22.043 . . 2 . . . . . 95 LEU CD1 . 15358 1 825 . 1 1 95 95 LEU CG C 13 26.533 . . 1 . . . . . 95 LEU CG . 15358 1 826 . 1 1 95 95 LEU N N 15 114.538 . . 1 . . . . . 95 LEU N . 15358 1 827 . 1 1 96 96 ASN H H 1 7.990 . . 1 . . . . . 96 ASN HN . 15358 1 828 . 1 1 96 96 ASN HA H 1 4.424 . . 1 . . . . . 96 ASN HA . 15358 1 829 . 1 1 96 96 ASN HB2 H 1 3.081 . . 2 . . . . . 96 ASN HB1 . 15358 1 830 . 1 1 96 96 ASN HB3 H 1 2.901 . . 2 . . . . . 96 ASN HB2 . 15358 1 831 . 1 1 96 96 ASN CA C 13 55.142 . . 1 . . . . . 96 ASN CA . 15358 1 832 . 1 1 96 96 ASN CB C 13 37.094 . . 1 . . . . . 96 ASN CB . 15358 1 833 . 1 1 96 96 ASN N N 15 113.775 . . 1 . . . . . 96 ASN N . 15358 1 834 . 1 1 97 97 GLU H H 1 8.105 . . 1 . . . . . 97 GLU HN . 15358 1 835 . 1 1 97 97 GLU HA H 1 4.207 . . 1 . . . . . 97 GLU HA . 15358 1 836 . 1 1 97 97 GLU HB2 H 1 2.267 . . 2 . . . . . 97 GLU HB1 . 15358 1 837 . 1 1 97 97 GLU HG2 H 1 2.203 . . 2 . . . . . 97 GLU HG1 . 15358 1 838 . 1 1 97 97 GLU CA C 13 57.313 . . 1 . . . . . 97 GLU CA . 15358 1 839 . 1 1 97 97 GLU CB C 13 31.232 . . 1 . . . . . 97 GLU CB . 15358 1 840 . 1 1 97 97 GLU CG C 13 36.257 . . 1 . . . . . 97 GLU CG . 15358 1 841 . 1 1 97 97 GLU N N 15 116.219 . . 1 . . . . . 97 GLU N . 15358 1 842 . 1 1 98 98 CYS H H 1 7.123 . . 1 . . . . . 98 CYS HN . 15358 1 843 . 1 1 98 98 CYS HA H 1 4.777 . . 1 . . . . . 98 CYS HA . 15358 1 844 . 1 1 98 98 CYS HB2 H 1 2.086 . . 2 . . . . . 98 CYS HB1 . 15358 1 845 . 1 1 98 98 CYS HB3 H 1 3.271 . . 2 . . . . . 98 CYS HB2 . 15358 1 846 . 1 1 98 98 CYS CB C 13 45.402 . . 1 . . . . . 98 CYS CB . 15358 1 847 . 1 1 98 98 CYS N N 15 113.942 . . 1 . . . . . 98 CYS N . 15358 1 848 . 1 1 99 99 PRO HA H 1 4.190 . . 1 . . . . . 99 PRO HA . 15358 1 849 . 1 1 99 99 PRO HB2 H 1 1.857 . . 2 . . . . . 99 PRO HB1 . 15358 1 850 . 1 1 99 99 PRO HB3 H 1 2.107 . . 2 . . . . . 99 PRO HB2 . 15358 1 851 . 1 1 99 99 PRO HD2 H 1 3.628 . . 2 . . . . . 99 PRO HD1 . 15358 1 852 . 1 1 99 99 PRO HD3 H 1 3.502 . . 2 . . . . . 99 PRO HD2 . 15358 1 853 . 1 1 99 99 PRO HG2 H 1 1.821 . . 2 . . . . . 99 PRO HG1 . 15358 1 854 . 1 1 99 99 PRO HG3 H 1 1.869 . . 2 . . . . . 99 PRO HG2 . 15358 1 855 . 1 1 99 99 PRO CA C 13 64.546 . . 1 . . . . . 99 PRO CA . 15358 1 856 . 1 1 99 99 PRO CB C 13 32.352 . . 1 . . . . . 99 PRO CB . 15358 1 857 . 1 1 99 99 PRO CD C 13 49.823 . . 1 . . . . . 99 PRO CD . 15358 1 stop_ save_