data_15506 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15506 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the intrinsically disordered translocation domain of colicin N ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-04 _Entry.Accession_date 2007-10-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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.Entry_ID 1 Oliver Hecht . . . 15506 2 Geoff Moore . . . 15506 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Moore group, UEA' . 15506 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15506 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 15506 '15N chemical shifts' 84 15506 '1H chemical shifts' 84 15506 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 . . 2008-07-28 2007-10-04 update BMRB 'complete entry citation' 15506 1 . . 2008-06-26 2007-10-04 original author 'original release' 15506 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15506 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18573254 _Citation.Full_citation . _Citation.Title 'Self-recognition by an intrinsically disordered protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 582 _Citation.Journal_issue 17 _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 2673 _Citation.Page_last 2677 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 O. Hecht . . . 15506 1 2 H. Ridley . . . 15506 1 3 R. Boetzel . . . 15506 1 4 A. Lewin . . . 15506 1 5 N. Cull . . . 15506 1 6 D. Chalton . A. . 15506 1 7 J. Lakey . H. . 15506 1 8 G. Moore . R. . 15506 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Colicin 15506 1 'intrinsically disordered Protein' 15506 1 'naturally unfolded Protein' 15506 1 NMR 15506 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15506 _Assembly.ID 1 _Assembly.Name Colicin_N_T_domain _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Colicin_N_T_domain 1 $Colicin_N_T_domain A . yes native no no . . . 15506 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Colicin_N_T_domain _Entity.Sf_category entity _Entity.Sf_framecode Colicin_N_T_domain _Entity.Entry_ID 15506 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Colicin_N_T_domain _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 ; GSNGADNAHNNAFGGGKNPG IGNTSGAGSNGSASSNRGNS NGWSWSNKPHKNDGFHSDGS YHITFHGDNNSKPKPGGNSG NRGNNGDGAS ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Translocation domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8924 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16130 . Tdom40-76 . . . . . 98.89 90 100.00 100.00 4.22e-49 . . . . 15506 1 2 no BMRB 16131 . Tdom40-47 . . . . . 98.89 90 100.00 100.00 4.22e-49 . . . . 15506 1 3 no EMBL CAA68592 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 8.98e-51 . . . . 15506 1 4 no EMBL CTB58308 . "colicin E1 protein [Shigella sonnei]" . . . . . 100.00 387 98.89 100.00 4.01e-50 . . . . 15506 1 5 no GB EMX27764 . "colicin-N [Escherichia coli MP021561.2]" . . . . . 100.00 387 100.00 100.00 8.98e-51 . . . . 15506 1 6 no GB EMZ96444 . "colicin-N [Escherichia coli P0299917.1]" . . . . . 100.00 387 100.00 100.00 9.17e-51 . . . . 15506 1 7 no GB KHH25654 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 98.89 100.00 3.93e-50 . . . . 15506 1 8 no GB KHH41883 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 8.98e-51 . . . . 15506 1 9 no GB KHH74941 . "colicin-N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 8.98e-51 . . . . 15506 1 10 no REF WP_001749638 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 9.17e-51 . . . . 15506 1 11 no REF WP_004026235 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 8.98e-51 . . . . 15506 1 12 no REF WP_024139131 . "colicin N [Salmonella enterica]" . . . . . 100.00 387 98.89 100.00 4.76e-50 . . . . 15506 1 13 no REF WP_032488335 . "colicin N [Escherichia coli]" . . . . . 100.00 387 100.00 100.00 8.98e-51 . . . . 15506 1 14 no REF WP_040089861 . "MULTISPECIES: colicin N [Enterobacteriaceae]" . . . . . 100.00 387 98.89 100.00 4.01e-50 . . . . 15506 1 15 no SP P08083 . "RecName: Full=Colicin-N" . . . . . 100.00 387 100.00 100.00 8.98e-51 . . . . 15506 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'translocation of a pore-forming domain' 15506 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15506 1 2 . SER . 15506 1 3 . ASN . 15506 1 4 . GLY . 15506 1 5 . ALA . 15506 1 6 . ASP . 15506 1 7 . ASN . 15506 1 8 . ALA . 15506 1 9 . HIS . 15506 1 10 . ASN . 15506 1 11 . ASN . 15506 1 12 . ALA . 15506 1 13 . PHE . 15506 1 14 . GLY . 15506 1 15 . GLY . 15506 1 16 . GLY . 15506 1 17 . LYS . 15506 1 18 . ASN . 15506 1 19 . PRO . 15506 1 20 . GLY . 15506 1 21 . ILE . 15506 1 22 . GLY . 15506 1 23 . ASN . 15506 1 24 . THR . 15506 1 25 . SER . 15506 1 26 . GLY . 15506 1 27 . ALA . 15506 1 28 . GLY . 15506 1 29 . SER . 15506 1 30 . ASN . 15506 1 31 . GLY . 15506 1 32 . SER . 15506 1 33 . ALA . 15506 1 34 . SER . 15506 1 35 . SER . 15506 1 36 . ASN . 15506 1 37 . ARG . 15506 1 38 . GLY . 15506 1 39 . ASN . 15506 1 40 . SER . 15506 1 41 . ASN . 15506 1 42 . GLY . 15506 1 43 . TRP . 15506 1 44 . SER . 15506 1 45 . TRP . 15506 1 46 . SER . 15506 1 47 . ASN . 15506 1 48 . LYS . 15506 1 49 . PRO . 15506 1 50 . HIS . 15506 1 51 . LYS . 15506 1 52 . ASN . 15506 1 53 . ASP . 15506 1 54 . GLY . 15506 1 55 . PHE . 15506 1 56 . HIS . 15506 1 57 . SER . 15506 1 58 . ASP . 15506 1 59 . GLY . 15506 1 60 . SER . 15506 1 61 . TYR . 15506 1 62 . HIS . 15506 1 63 . ILE . 15506 1 64 . THR . 15506 1 65 . PHE . 15506 1 66 . HIS . 15506 1 67 . GLY . 15506 1 68 . ASP . 15506 1 69 . ASN . 15506 1 70 . ASN . 15506 1 71 . SER . 15506 1 72 . LYS . 15506 1 73 . PRO . 15506 1 74 . LYS . 15506 1 75 . PRO . 15506 1 76 . GLY . 15506 1 77 . GLY . 15506 1 78 . ASN . 15506 1 79 . SER . 15506 1 80 . GLY . 15506 1 81 . ASN . 15506 1 82 . ARG . 15506 1 83 . GLY . 15506 1 84 . ASN . 15506 1 85 . ASN . 15506 1 86 . GLY . 15506 1 87 . ASP . 15506 1 88 . GLY . 15506 1 89 . ALA . 15506 1 90 . SER . 15506 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 15506 1 . SER 2 2 15506 1 . ASN 3 3 15506 1 . GLY 4 4 15506 1 . ALA 5 5 15506 1 . ASP 6 6 15506 1 . ASN 7 7 15506 1 . ALA 8 8 15506 1 . HIS 9 9 15506 1 . ASN 10 10 15506 1 . ASN 11 11 15506 1 . ALA 12 12 15506 1 . PHE 13 13 15506 1 . GLY 14 14 15506 1 . GLY 15 15 15506 1 . GLY 16 16 15506 1 . LYS 17 17 15506 1 . ASN 18 18 15506 1 . PRO 19 19 15506 1 . GLY 20 20 15506 1 . ILE 21 21 15506 1 . GLY 22 22 15506 1 . ASN 23 23 15506 1 . THR 24 24 15506 1 . SER 25 25 15506 1 . GLY 26 26 15506 1 . ALA 27 27 15506 1 . GLY 28 28 15506 1 . SER 29 29 15506 1 . ASN 30 30 15506 1 . GLY 31 31 15506 1 . SER 32 32 15506 1 . ALA 33 33 15506 1 . SER 34 34 15506 1 . SER 35 35 15506 1 . ASN 36 36 15506 1 . ARG 37 37 15506 1 . GLY 38 38 15506 1 . ASN 39 39 15506 1 . SER 40 40 15506 1 . ASN 41 41 15506 1 . GLY 42 42 15506 1 . TRP 43 43 15506 1 . SER 44 44 15506 1 . TRP 45 45 15506 1 . SER 46 46 15506 1 . ASN 47 47 15506 1 . LYS 48 48 15506 1 . PRO 49 49 15506 1 . HIS 50 50 15506 1 . LYS 51 51 15506 1 . ASN 52 52 15506 1 . ASP 53 53 15506 1 . GLY 54 54 15506 1 . PHE 55 55 15506 1 . HIS 56 56 15506 1 . SER 57 57 15506 1 . ASP 58 58 15506 1 . GLY 59 59 15506 1 . SER 60 60 15506 1 . TYR 61 61 15506 1 . HIS 62 62 15506 1 . ILE 63 63 15506 1 . THR 64 64 15506 1 . PHE 65 65 15506 1 . HIS 66 66 15506 1 . GLY 67 67 15506 1 . ASP 68 68 15506 1 . ASN 69 69 15506 1 . ASN 70 70 15506 1 . SER 71 71 15506 1 . LYS 72 72 15506 1 . PRO 73 73 15506 1 . LYS 74 74 15506 1 . PRO 75 75 15506 1 . GLY 76 76 15506 1 . GLY 77 77 15506 1 . ASN 78 78 15506 1 . SER 79 79 15506 1 . GLY 80 80 15506 1 . ASN 81 81 15506 1 . ARG 82 82 15506 1 . GLY 83 83 15506 1 . ASN 84 84 15506 1 . ASN 85 85 15506 1 . GLY 86 86 15506 1 . ASP 87 87 15506 1 . GLY 88 88 15506 1 . ALA 89 89 15506 1 . SER 90 90 15506 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 15506 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Colicin_N_T_domain . 562 plasmid . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15506 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 15506 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Colicin_N_T_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 D3 . . . . . . . . . . . . . . pOHN1 . . . . . . 15506 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15506 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Colicin N T domain' '[U-100% 13C; U-100% 15N]' . . 1 $Colicin_N_T_domain . . 1.1 . . mM . . . . 15506 1 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15506 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15506 1 4 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15506 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15506 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15506 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15506 _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' 0.35 . M 15506 1 pH 6.8 . pH 15506 1 pressure 1 . atm 15506 1 temperature 288 . K 15506 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15506 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15506 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15506 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 15506 _NMR_spectrometer.ID 1 _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 15506 _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 Varian INOVA . 500 . . . 15506 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 15506 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15506 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15506 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15506 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15506 1 5 HNN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15506 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 15506 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15506 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15506 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15506 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 15506 _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' . . . 15506 1 2 '3D CBCA(CO)NH' . . . 15506 1 3 '3D HNCO' . . . 15506 1 4 '3D HNCACB' . . . 15506 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 15506 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 CA C 13 43.428 . . 1 . . . . 2 GLY CA . 15506 1 2 . 1 1 2 2 SER H H 1 8.748 . . 1 . . . . 3 SER HN . 15506 1 3 . 1 1 2 2 SER C C 13 170.436 . . 1 . . . . 3 SER C . 15506 1 4 . 1 1 2 2 SER CA C 13 58.367 . . 1 . . . . 3 SER CA . 15506 1 5 . 1 1 2 2 SER CB C 13 63.883 . . 1 . . . . 3 SER CB . 15506 1 6 . 1 1 2 2 SER N N 15 115.824 . . 1 . . . . 3 SER N . 15506 1 7 . 1 1 3 3 ASN H H 1 8.701 . . 1 . . . . 4 ASN HN . 15506 1 8 . 1 1 3 3 ASN C C 13 174.502 . . 1 . . . . 4 ASN C . 15506 1 9 . 1 1 3 3 ASN CA C 13 53.537 . . 1 . . . . 4 ASN CA . 15506 1 10 . 1 1 3 3 ASN CB C 13 38.808 . . 1 . . . . 4 ASN CB . 15506 1 11 . 1 1 3 3 ASN N N 15 121.069 . . 1 . . . . 4 ASN N . 15506 1 12 . 1 1 4 4 GLY H H 1 8.414 . . 1 . . . . 5 GLY HN . 15506 1 13 . 1 1 4 4 GLY C C 13 176.906 . . 1 . . . . 5 GLY C . 15506 1 14 . 1 1 4 4 GLY CA C 13 45.497 . . 1 . . . . 5 GLY CA . 15506 1 15 . 1 1 4 4 GLY N N 15 109.523 . . 1 . . . . 5 GLY N . 15506 1 16 . 1 1 5 5 ALA H H 1 8.191 . . 1 . . . . 6 ALA HN . 15506 1 17 . 1 1 5 5 ALA C C 13 174.093 . . 1 . . . . 6 ALA C . 15506 1 18 . 1 1 5 5 ALA CA C 13 52.652 . . 1 . . . . 6 ALA CA . 15506 1 19 . 1 1 5 5 ALA CB C 13 19.229 . . 1 . . . . 6 ALA CB . 15506 1 20 . 1 1 5 5 ALA N N 15 123.922 . . 1 . . . . 6 ALA N . 15506 1 21 . 1 1 6 6 ASP H H 1 8.330 . . 1 . . . . 7 ASP HN . 15506 1 22 . 1 1 6 6 ASP C C 13 173.902 . . 1 . . . . 7 ASP C . 15506 1 23 . 1 1 6 6 ASP CA C 13 54.231 . . 1 . . . . 7 ASP CA . 15506 1 24 . 1 1 6 6 ASP CB C 13 40.788 . . 1 . . . . 7 ASP CB . 15506 1 25 . 1 1 6 6 ASP N N 15 119.224 . . 1 . . . . 7 ASP N . 15506 1 26 . 1 1 7 7 ASN H H 1 8.274 . . 1 . . . . 8 ASN HN . 15506 1 27 . 1 1 7 7 ASN C C 13 176.196 . . 1 . . . . 8 ASN C . 15506 1 28 . 1 1 7 7 ASN CA C 13 53.423 . . 1 . . . . 8 ASN CA . 15506 1 29 . 1 1 7 7 ASN CB C 13 38.809 . . 1 . . . . 8 ASN CB . 15506 1 30 . 1 1 7 7 ASN N N 15 119.282 . . 1 . . . . 8 ASN N . 15506 1 31 . 1 1 8 8 ALA H H 1 8.171 . . 1 . . . . 9 ALA HN . 15506 1 32 . 1 1 8 8 ALA C C 13 175.305 . . 1 . . . . 9 ALA C . 15506 1 33 . 1 1 8 8 ALA CA C 13 53.163 . . 1 . . . . 9 ALA CA . 15506 1 34 . 1 1 8 8 ALA CB C 13 18.991 . . 1 . . . . 9 ALA CB . 15506 1 35 . 1 1 8 8 ALA N N 15 123.300 . . 1 . . . . 9 ALA N . 15506 1 36 . 1 1 9 9 HIS H H 1 8.347 . . 1 . . . . 10 HIS HN . 15506 1 37 . 1 1 9 9 HIS C C 13 177.824 . . 1 . . . . 10 HIS C . 15506 1 38 . 1 1 9 9 HIS CA C 13 55.470 . . 1 . . . . 10 HIS CA . 15506 1 39 . 1 1 9 9 HIS CB C 13 28.627 . . 1 . . . . 10 HIS CB . 15506 1 40 . 1 1 9 9 HIS N N 15 116.591 . . 1 . . . . 10 HIS N . 15506 1 41 . 1 1 10 10 ASN H H 1 8.312 . . 1 . . . . 11 ASN HN . 15506 1 42 . 1 1 10 10 ASN C C 13 174.306 . . 1 . . . . 11 ASN C . 15506 1 43 . 1 1 10 10 ASN CA C 13 53.355 . . 1 . . . . 11 ASN CA . 15506 1 44 . 1 1 10 10 ASN CB C 13 38.786 . . 1 . . . . 11 ASN CB . 15506 1 45 . 1 1 10 10 ASN N N 15 119.420 . . 1 . . . . 11 ASN N . 15506 1 46 . 1 1 11 11 ASN H H 1 8.442 . . 1 . . . . 12 ASN HN . 15506 1 47 . 1 1 11 11 ASN C C 13 175.080 . . 1 . . . . 12 ASN C . 15506 1 48 . 1 1 11 11 ASN CA C 13 53.307 . . 1 . . . . 12 ASN CA . 15506 1 49 . 1 1 11 11 ASN CB C 13 38.789 . . 1 . . . . 12 ASN CB . 15506 1 50 . 1 1 11 11 ASN N N 15 119.615 . . 1 . . . . 12 ASN N . 15506 1 51 . 1 1 12 12 ALA H H 1 8.191 . . 1 . . . . 13 ALA HN . 15506 1 52 . 1 1 12 12 ALA C C 13 175.107 . . 1 . . . . 13 ALA C . 15506 1 53 . 1 1 12 12 ALA CA C 13 52.820 . . 1 . . . . 13 ALA CA . 15506 1 54 . 1 1 12 12 ALA CB C 13 19.015 . . 1 . . . . 13 ALA CB . 15506 1 55 . 1 1 12 12 ALA N N 15 123.916 . . 1 . . . . 13 ALA N . 15506 1 56 . 1 1 13 13 PHE H H 1 8.191 . . 1 . . . . 14 PHE HN . 15506 1 57 . 1 1 13 13 PHE C C 13 177.600 . . 1 . . . . 14 PHE C . 15506 1 58 . 1 1 13 13 PHE CA C 13 57.799 . . 1 . . . . 14 PHE CA . 15506 1 59 . 1 1 13 13 PHE CB C 13 39.241 . . 1 . . . . 14 PHE CB . 15506 1 60 . 1 1 13 13 PHE N N 15 119.061 . . 1 . . . . 14 PHE N . 15506 1 61 . 1 1 14 14 GLY H H 1 8.290 . . 1 . . . . 15 GLY HN . 15506 1 62 . 1 1 14 14 GLY C C 13 176.591 . . 1 . . . . 15 GLY C . 15506 1 63 . 1 1 14 14 GLY CA C 13 45.523 . . 1 . . . . 15 GLY CA . 15506 1 64 . 1 1 14 14 GLY N N 15 110.947 . . 1 . . . . 15 GLY N . 15506 1 65 . 1 1 15 15 GLY H H 1 8.032 . . 1 . . . . 16 GLY HN . 15506 1 66 . 1 1 15 15 GLY C C 13 174.810 . . 1 . . . . 16 GLY C . 15506 1 67 . 1 1 15 15 GLY CA C 13 45.301 . . 1 . . . . 16 GLY CA . 15506 1 68 . 1 1 15 15 GLY N N 15 108.594 . . 1 . . . . 16 GLY N . 15506 1 69 . 1 1 16 16 GLY H H 1 8.279 . . 1 . . . . 17 GLY HN . 15506 1 70 . 1 1 16 16 GLY C C 13 174.791 . . 1 . . . . 17 GLY C . 15506 1 71 . 1 1 16 16 GLY CA C 13 45.164 . . 1 . . . . 17 GLY CA . 15506 1 72 . 1 1 16 16 GLY N N 15 108.802 . . 1 . . . . 17 GLY N . 15506 1 73 . 1 1 17 17 LYS H H 1 8.165 . . 1 . . . . 18 LYS HN . 15506 1 74 . 1 1 17 17 LYS C C 13 174.012 . . 1 . . . . 18 LYS C . 15506 1 75 . 1 1 17 17 LYS CA C 13 56.081 . . 1 . . . . 18 LYS CA . 15506 1 76 . 1 1 17 17 LYS CB C 13 33.072 . . 1 . . . . 18 LYS CB . 15506 1 77 . 1 1 17 17 LYS N N 15 120.383 . . 1 . . . . 18 LYS N . 15506 1 78 . 1 1 18 18 ASN H H 1 8.503 . . 1 . . . . 19 ASN HN . 15506 1 79 . 1 1 18 18 ASN C C 13 176.164 . . 1 . . . . 19 ASN C . 15506 1 80 . 1 1 18 18 ASN CA C 13 51.347 . . 1 . . . . 19 ASN CA . 15506 1 81 . 1 1 18 18 ASN CB C 13 38.897 . . 1 . . . . 19 ASN CB . 15506 1 82 . 1 1 18 18 ASN N N 15 120.788 . . 1 . . . . 19 ASN N . 15506 1 83 . 1 1 19 19 PRO CA C 13 63.579 . . 1 . . . . 20 PRO CA . 15506 1 84 . 1 1 19 19 PRO CB C 13 32.065 . . 1 . . . . 20 PRO CB . 15506 1 85 . 1 1 20 20 GLY H H 1 8.384 . . 1 . . . . 21 GLY HN . 15506 1 86 . 1 1 20 20 GLY C C 13 177.381 . . 1 . . . . 21 GLY C . 15506 1 87 . 1 1 20 20 GLY CA C 13 45.255 . . 1 . . . . 21 GLY CA . 15506 1 88 . 1 1 20 20 GLY N N 15 108.744 . . 1 . . . . 21 GLY N . 15506 1 89 . 1 1 21 21 ILE H H 1 7.927 . . 1 . . . . 22 ILE HN . 15506 1 90 . 1 1 21 21 ILE C C 13 174.172 . . 1 . . . . 22 ILE C . 15506 1 91 . 1 1 21 21 ILE CA C 13 61.309 . . 1 . . . . 22 ILE CA . 15506 1 92 . 1 1 21 21 ILE CB C 13 38.706 . . 1 . . . . 22 ILE CB . 15506 1 93 . 1 1 21 21 ILE N N 15 119.660 . . 1 . . . . 22 ILE N . 15506 1 94 . 1 1 22 22 GLY H H 1 8.498 . . 1 . . . . 23 GLY HN . 15506 1 95 . 1 1 22 22 GLY C C 13 176.835 . . 1 . . . . 23 GLY C . 15506 1 96 . 1 1 22 22 GLY CA C 13 45.286 . . 1 . . . . 23 GLY CA . 15506 1 97 . 1 1 22 22 GLY N N 15 112.530 . . 1 . . . . 23 GLY N . 15506 1 98 . 1 1 23 23 ASN H H 1 8.338 . . 1 . . . . 24 ASN HN . 15506 1 99 . 1 1 23 23 ASN C C 13 177.701 . . 1 . . . . 24 ASN C . 15506 1 100 . 1 1 23 23 ASN CA C 13 53.120 . . 1 . . . . 24 ASN CA . 15506 1 101 . 1 1 23 23 ASN CB C 13 38.947 . . 1 . . . . 24 ASN CB . 15506 1 102 . 1 1 23 23 ASN N N 15 119.017 . . 1 . . . . 24 ASN N . 15506 1 103 . 1 1 24 24 THR H H 1 8.255 . . 1 . . . . 25 THR HN . 15506 1 104 . 1 1 24 24 THR C C 13 175.821 . . 1 . . . . 25 THR C . 15506 1 105 . 1 1 24 24 THR CA C 13 61.855 . . 1 . . . . 25 THR CA . 15506 1 106 . 1 1 24 24 THR CB C 13 69.719 . . 1 . . . . 25 THR CB . 15506 1 107 . 1 1 24 24 THR N N 15 114.220 . . 1 . . . . 25 THR N . 15506 1 108 . 1 1 25 25 SER H H 1 8.379 . . 1 . . . . 26 SER HN . 15506 1 109 . 1 1 25 25 SER C C 13 174.909 . . 1 . . . . 26 SER C . 15506 1 110 . 1 1 25 25 SER CA C 13 58.649 . . 1 . . . . 26 SER CA . 15506 1 111 . 1 1 25 25 SER CB C 13 63.881 . . 1 . . . . 26 SER CB . 15506 1 112 . 1 1 25 25 SER N N 15 117.990 . . 1 . . . . 26 SER N . 15506 1 113 . 1 1 26 26 GLY H H 1 8.414 . . 1 . . . . 27 GLY HN . 15506 1 114 . 1 1 26 26 GLY C C 13 175.090 . . 1 . . . . 27 GLY C . 15506 1 115 . 1 1 26 26 GLY CA C 13 45.323 . . 1 . . . . 27 GLY CA . 15506 1 116 . 1 1 26 26 GLY N N 15 111.059 . . 1 . . . . 27 GLY N . 15506 1 117 . 1 1 27 27 ALA H H 1 8.224 . . 1 . . . . 28 ALA HN . 15506 1 118 . 1 1 27 27 ALA C C 13 174.100 . . 1 . . . . 28 ALA C . 15506 1 119 . 1 1 27 27 ALA CA C 13 52.806 . . 1 . . . . 28 ALA CA . 15506 1 120 . 1 1 27 27 ALA N N 15 123.969 . . 1 . . . . 28 ALA N . 15506 1 121 . 1 1 28 28 GLY H H 1 8.437 . . 1 . . . . 29 GLY HN . 15506 1 122 . 1 1 28 28 GLY C C 13 178.410 . . 1 . . . . 29 GLY C . 15506 1 123 . 1 1 28 28 GLY CA C 13 45.326 . . 1 . . . . 29 GLY CA . 15506 1 124 . 1 1 28 28 GLY N N 15 108.421 . . 1 . . . . 29 GLY N . 15506 1 125 . 1 1 29 29 SER H H 1 8.229 . . 1 . . . . 30 SER HN . 15506 1 126 . 1 1 29 29 SER C C 13 174.455 . . 1 . . . . 30 SER C . 15506 1 127 . 1 1 29 29 SER CA C 13 58.421 . . 1 . . . . 30 SER CA . 15506 1 128 . 1 1 29 29 SER CB C 13 63.812 . . 1 . . . . 30 SER CB . 15506 1 129 . 1 1 29 29 SER N N 15 115.625 . . 1 . . . . 30 SER N . 15506 1 130 . 1 1 30 30 ASN H H 1 8.556 . . 1 . . . . 31 ASN HN . 15506 1 131 . 1 1 30 30 ASN C C 13 174.690 . . 1 . . . . 31 ASN C . 15506 1 132 . 1 1 30 30 ASN CA C 13 53.527 . . 1 . . . . 31 ASN CA . 15506 1 133 . 1 1 30 30 ASN CB C 13 38.818 . . 1 . . . . 31 ASN CB . 15506 1 134 . 1 1 30 30 ASN N N 15 120.711 . . 1 . . . . 31 ASN N . 15506 1 135 . 1 1 31 31 GLY H H 1 8.372 . . 1 . . . . 32 GLY HN . 15506 1 136 . 1 1 31 31 GLY C C 13 175.864 . . 1 . . . . 32 GLY C . 15506 1 137 . 1 1 31 31 GLY CA C 13 45.546 . . 1 . . . . 32 GLY CA . 15506 1 138 . 1 1 31 31 GLY N N 15 109.456 . . 1 . . . . 32 GLY N . 15506 1 139 . 1 1 32 32 SER H H 1 8.212 . . 1 . . . . 33 SER HN . 15506 1 140 . 1 1 32 32 SER C C 13 174.424 . . 1 . . . . 33 SER C . 15506 1 141 . 1 1 32 32 SER CA C 13 58.418 . . 1 . . . . 33 SER CA . 15506 1 142 . 1 1 32 32 SER CB C 13 63.924 . . 1 . . . . 33 SER CB . 15506 1 143 . 1 1 32 32 SER N N 15 115.890 . . 1 . . . . 33 SER N . 15506 1 144 . 1 1 33 33 ALA H H 1 8.411 . . 1 . . . . 34 ALA HN . 15506 1 145 . 1 1 33 33 ALA C C 13 174.658 . . 1 . . . . 34 ALA C . 15506 1 146 . 1 1 33 33 ALA CA C 13 52.962 . . 1 . . . . 34 ALA CA . 15506 1 147 . 1 1 33 33 ALA CB C 13 19.104 . . 1 . . . . 34 ALA CB . 15506 1 148 . 1 1 33 33 ALA N N 15 125.963 . . 1 . . . . 34 ALA N . 15506 1 149 . 1 1 34 34 SER H H 1 8.253 . . 1 . . . . 35 SER HN . 15506 1 150 . 1 1 34 34 SER C C 13 178.088 . . 1 . . . . 35 SER C . 15506 1 151 . 1 1 34 34 SER CA C 13 58.569 . . 1 . . . . 35 SER CA . 15506 1 152 . 1 1 34 34 SER CB C 13 63.735 . . 1 . . . . 35 SER CB . 15506 1 153 . 1 1 34 34 SER N N 15 114.593 . . 1 . . . . 35 SER N . 15506 1 154 . 1 1 35 35 SER H H 1 8.234 . . 1 . . . . 36 SER HN . 15506 1 155 . 1 1 35 35 SER C C 13 174.867 . . 1 . . . . 36 SER C . 15506 1 156 . 1 1 35 35 SER CA C 13 58.540 . . 1 . . . . 36 SER CA . 15506 1 157 . 1 1 35 35 SER CB C 13 63.728 . . 1 . . . . 36 SER CB . 15506 1 158 . 1 1 35 35 SER N N 15 117.486 . . 1 . . . . 36 SER N . 15506 1 159 . 1 1 36 36 ASN H H 1 8.375 . . 1 . . . . 37 ASN HN . 15506 1 160 . 1 1 36 36 ASN C C 13 174.331 . . 1 . . . . 37 ASN C . 15506 1 161 . 1 1 36 36 ASN CA C 13 53.344 . . 1 . . . . 37 ASN CA . 15506 1 162 . 1 1 36 36 ASN CB C 13 38.736 . . 1 . . . . 37 ASN CB . 15506 1 163 . 1 1 36 36 ASN N N 15 120.685 . . 1 . . . . 37 ASN N . 15506 1 164 . 1 1 37 37 ARG H H 1 8.270 . . 1 . . . . 38 ARG HN . 15506 1 165 . 1 1 37 37 ARG C C 13 175.239 . . 1 . . . . 38 ARG C . 15506 1 166 . 1 1 37 37 ARG CA C 13 56.445 . . 1 . . . . 38 ARG CA . 15506 1 167 . 1 1 37 37 ARG CB C 13 30.509 . . 1 . . . . 38 ARG CB . 15506 1 168 . 1 1 37 37 ARG N N 15 121.248 . . 1 . . . . 38 ARG N . 15506 1 169 . 1 1 38 38 GLY H H 1 8.364 . . 1 . . . . 39 GLY HN . 15506 1 170 . 1 1 38 38 GLY C C 13 176.891 . . 1 . . . . 39 GLY C . 15506 1 171 . 1 1 38 38 GLY CA C 13 45.355 . . 1 . . . . 39 GLY CA . 15506 1 172 . 1 1 38 38 GLY N N 15 109.458 . . 1 . . . . 39 GLY N . 15506 1 173 . 1 1 39 39 ASN H H 1 8.265 . . 1 . . . . 40 ASN HN . 15506 1 174 . 1 1 39 39 ASN C C 13 173.949 . . 1 . . . . 40 ASN C . 15506 1 175 . 1 1 39 39 ASN CA C 13 53.091 . . 1 . . . . 40 ASN CA . 15506 1 176 . 1 1 39 39 ASN CB C 13 39.001 . . 1 . . . . 40 ASN CB . 15506 1 177 . 1 1 39 39 ASN N N 15 118.714 . . 1 . . . . 40 ASN N . 15506 1 178 . 1 1 40 40 SER H H 1 8.357 . . 1 . . . . 41 SER HN . 15506 1 179 . 1 1 40 40 SER C C 13 175.629 . . 1 . . . . 41 SER C . 15506 1 180 . 1 1 40 40 SER CA C 13 58.665 . . 1 . . . . 41 SER CA . 15506 1 181 . 1 1 40 40 SER CB C 13 63.585 . . 1 . . . . 41 SER CB . 15506 1 182 . 1 1 40 40 SER N N 15 116.483 . . 1 . . . . 41 SER N . 15506 1 183 . 1 1 41 41 ASN H H 1 8.421 . . 1 . . . . 42 ASN HN . 15506 1 184 . 1 1 41 41 ASN C C 13 174.564 . . 1 . . . . 42 ASN C . 15506 1 185 . 1 1 41 41 ASN CA C 13 53.473 . . 1 . . . . 42 ASN CA . 15506 1 186 . 1 1 41 41 ASN CB C 13 38.723 . . 1 . . . . 42 ASN CB . 15506 1 187 . 1 1 41 41 ASN N N 15 120.239 . . 1 . . . . 42 ASN N . 15506 1 188 . 1 1 42 42 GLY H H 1 8.235 . . 1 . . . . 43 GLY HN . 15506 1 189 . 1 1 42 42 GLY C C 13 175.663 . . 1 . . . . 43 GLY C . 15506 1 190 . 1 1 42 42 GLY CA C 13 45.494 . . 1 . . . . 43 GLY CA . 15506 1 191 . 1 1 42 42 GLY N N 15 108.765 . . 1 . . . . 43 GLY N . 15506 1 192 . 1 1 43 43 TRP H H 1 7.953 . . 1 . . . . 44 TRP HN . 15506 1 193 . 1 1 43 43 TRP C C 13 173.981 . . 1 . . . . 44 TRP C . 15506 1 194 . 1 1 43 43 TRP CA C 13 57.374 . . 1 . . . . 44 TRP CA . 15506 1 195 . 1 1 43 43 TRP N N 15 120.978 . . 1 . . . . 44 TRP N . 15506 1 196 . 1 1 44 44 SER H H 1 8.034 . . 1 . . . . 45 SER HN . 15506 1 197 . 1 1 44 44 SER C C 13 176.414 . . 1 . . . . 45 SER C . 15506 1 198 . 1 1 44 44 SER CA C 13 58.302 . . 1 . . . . 45 SER CA . 15506 1 199 . 1 1 44 44 SER CB C 13 63.849 . . 1 . . . . 45 SER CB . 15506 1 200 . 1 1 44 44 SER N N 15 117.500 . . 1 . . . . 45 SER N . 15506 1 201 . 1 1 45 45 TRP H H 1 7.969 . . 1 . . . . 46 TRP HN . 15506 1 202 . 1 1 45 45 TRP C C 13 174.140 . . 1 . . . . 46 TRP C . 15506 1 203 . 1 1 45 45 TRP CA C 13 57.697 . . 1 . . . . 46 TRP CA . 15506 1 204 . 1 1 45 45 TRP CB C 13 29.409 . . 1 . . . . 46 TRP CB . 15506 1 205 . 1 1 45 45 TRP N N 15 122.619 . . 1 . . . . 46 TRP N . 15506 1 206 . 1 1 46 46 SER H H 1 7.919 . . 1 . . . . 47 SER HN . 15506 1 207 . 1 1 46 46 SER C C 13 176.382 . . 1 . . . . 47 SER C . 15506 1 208 . 1 1 46 46 SER CA C 13 58.439 . . 1 . . . . 47 SER CA . 15506 1 209 . 1 1 46 46 SER CB C 13 63.791 . . 1 . . . . 47 SER CB . 15506 1 210 . 1 1 46 46 SER N N 15 116.116 . . 1 . . . . 47 SER N . 15506 1 211 . 1 1 47 47 ASN H H 1 8.163 . . 1 . . . . 48 ASN HN . 15506 1 212 . 1 1 47 47 ASN C C 13 174.012 . . 1 . . . . 48 ASN C . 15506 1 213 . 1 1 47 47 ASN CA C 13 53.072 . . 1 . . . . 48 ASN CA . 15506 1 214 . 1 1 47 47 ASN CB C 13 38.733 . . 1 . . . . 48 ASN CB . 15506 1 215 . 1 1 47 47 ASN N N 15 120.378 . . 1 . . . . 48 ASN N . 15506 1 216 . 1 1 48 48 LYS H H 1 7.963 . . 1 . . . . 49 LYS HN . 15506 1 217 . 1 1 48 48 LYS C C 13 174.604 . . 1 . . . . 49 LYS C . 15506 1 218 . 1 1 48 48 LYS CA C 13 54.255 . . 1 . . . . 49 LYS CA . 15506 1 219 . 1 1 48 48 LYS CB C 13 32.537 . . 1 . . . . 49 LYS CB . 15506 1 220 . 1 1 48 48 LYS N N 15 122.139 . . 1 . . . . 49 LYS N . 15506 1 221 . 1 1 49 49 PRO CA C 13 63.155 . . 1 . . . . 50 PRO CA . 15506 1 222 . 1 1 49 49 PRO CB C 13 32.093 . . 1 . . . . 50 PRO CB . 15506 1 223 . 1 1 50 50 HIS H H 1 8.565 . . 1 . . . . 51 HIS HN . 15506 1 224 . 1 1 50 50 HIS C C 13 176.705 . . 1 . . . . 51 HIS C . 15506 1 225 . 1 1 50 50 HIS CA C 13 55.047 . . 1 . . . . 51 HIS CA . 15506 1 226 . 1 1 50 50 HIS CB C 13 29.130 . . 1 . . . . 51 HIS CB . 15506 1 227 . 1 1 50 50 HIS N N 15 119.039 . . 1 . . . . 51 HIS N . 15506 1 228 . 1 1 51 51 LYS H H 1 8.386 . . 1 . . . . 52 LYS HN . 15506 1 229 . 1 1 51 51 LYS C C 13 174.394 . . 1 . . . . 52 LYS C . 15506 1 230 . 1 1 51 51 LYS CA C 13 56.617 . . 1 . . . . 52 LYS CA . 15506 1 231 . 1 1 51 51 LYS CB C 13 33.132 . . 1 . . . . 52 LYS CB . 15506 1 232 . 1 1 51 51 LYS N N 15 123.077 . . 1 . . . . 52 LYS N . 15506 1 233 . 1 1 52 52 ASN H H 1 8.638 . . 1 . . . . 53 ASN HN . 15506 1 234 . 1 1 52 52 ASN C C 13 176.255 . . 1 . . . . 53 ASN C . 15506 1 235 . 1 1 52 52 ASN CA C 13 53.313 . . 1 . . . . 53 ASN CA . 15506 1 236 . 1 1 52 52 ASN CB C 13 38.744 . . 1 . . . . 53 ASN CB . 15506 1 237 . 1 1 52 52 ASN N N 15 120.238 . . 1 . . . . 53 ASN N . 15506 1 238 . 1 1 53 53 ASP H H 1 8.277 . . 1 . . . . 54 ASP HN . 15506 1 239 . 1 1 53 53 ASP C C 13 174.976 . . 1 . . . . 54 ASP C . 15506 1 240 . 1 1 53 53 ASP CA C 13 54.227 . . 1 . . . . 54 ASP CA . 15506 1 241 . 1 1 53 53 ASP CB C 13 41.020 . . 1 . . . . 54 ASP CB . 15506 1 242 . 1 1 53 53 ASP N N 15 121.012 . . 1 . . . . 54 ASP N . 15506 1 243 . 1 1 54 54 GLY H H 1 8.349 . . 1 . . . . 55 GLY HN . 15506 1 244 . 1 1 54 54 GLY C C 13 176.638 . . 1 . . . . 55 GLY C . 15506 1 245 . 1 1 54 54 GLY CA C 13 45.307 . . 1 . . . . 55 GLY CA . 15506 1 246 . 1 1 54 54 GLY N N 15 108.732 . . 1 . . . . 55 GLY N . 15506 1 247 . 1 1 55 55 PHE H H 1 8.118 . . 1 . . . . 56 PHE HN . 15506 1 248 . 1 1 55 55 PHE C C 13 173.924 . . 1 . . . . 56 PHE C . 15506 1 249 . 1 1 55 55 PHE CA C 13 58.175 . . 1 . . . . 56 PHE CA . 15506 1 250 . 1 1 55 55 PHE CB C 13 39.495 . . 1 . . . . 56 PHE CB . 15506 1 251 . 1 1 55 55 PHE N N 15 120.044 . . 1 . . . . 56 PHE N . 15506 1 252 . 1 1 56 56 HIS H H 1 8.397 . . 1 . . . . 57 HIS HN . 15506 1 253 . 1 1 56 56 HIS C C 13 175.676 . . 1 . . . . 57 HIS C . 15506 1 254 . 1 1 56 56 HIS CA C 13 55.037 . . 1 . . . . 57 HIS CA . 15506 1 255 . 1 1 56 56 HIS CB C 13 29.214 . . 1 . . . . 57 HIS CB . 15506 1 256 . 1 1 56 56 HIS N N 15 120.860 . . 1 . . . . 57 HIS N . 15506 1 257 . 1 1 57 57 SER H H 1 8.390 . . 1 . . . . 58 SER HN . 15506 1 258 . 1 1 57 57 SER C C 13 174.156 . . 1 . . . . 58 SER C . 15506 1 259 . 1 1 57 57 SER CA C 13 58.420 . . 1 . . . . 58 SER CA . 15506 1 260 . 1 1 57 57 SER CB C 13 63.778 . . 1 . . . . 58 SER CB . 15506 1 261 . 1 1 57 57 SER N N 15 117.481 . . 1 . . . . 58 SER N . 15506 1 262 . 1 1 58 58 ASP H H 1 8.465 . . 1 . . . . 59 ASP HN . 15506 1 263 . 1 1 58 58 ASP C C 13 174.375 . . 1 . . . . 59 ASP C . 15506 1 264 . 1 1 58 58 ASP CA C 13 53.455 . . 1 . . . . 59 ASP CA . 15506 1 265 . 1 1 58 58 ASP CB C 13 38.817 . . 1 . . . . 59 ASP CB . 15506 1 266 . 1 1 58 58 ASP N N 15 122.432 . . 1 . . . . 59 ASP N . 15506 1 267 . 1 1 59 59 GLY H H 1 8.370 . . 1 . . . . 60 GLY HN . 15506 1 268 . 1 1 59 59 GLY C C 13 175.799 . . 1 . . . . 60 GLY C . 15506 1 269 . 1 1 59 59 GLY CA C 13 45.546 . . 1 . . . . 60 GLY CA . 15506 1 270 . 1 1 59 59 GLY N N 15 109.332 . . 1 . . . . 60 GLY N . 15506 1 271 . 1 1 60 60 SER H H 1 8.203 . . 1 . . . . 61 SER HN . 15506 1 272 . 1 1 60 60 SER C C 13 174.424 . . 1 . . . . 61 SER C . 15506 1 273 . 1 1 60 60 SER CA C 13 58.604 . . 1 . . . . 61 SER CA . 15506 1 274 . 1 1 60 60 SER CB C 13 63.892 . . 1 . . . . 61 SER CB . 15506 1 275 . 1 1 60 60 SER N N 15 115.890 . . 1 . . . . 61 SER N . 15506 1 276 . 1 1 61 61 TYR H H 1 8.126 . . 1 . . . . 62 TYR HN . 15506 1 277 . 1 1 61 61 TYR C C 13 174.044 . . 1 . . . . 62 TYR C . 15506 1 278 . 1 1 61 61 TYR CA C 13 58.090 . . 1 . . . . 62 TYR CA . 15506 1 279 . 1 1 61 61 TYR CB C 13 38.771 . . 1 . . . . 62 TYR CB . 15506 1 280 . 1 1 61 61 TYR N N 15 121.889 . . 1 . . . . 62 TYR N . 15506 1 281 . 1 1 62 62 HIS H H 1 8.232 . . 1 . . . . 63 HIS HN . 15506 1 282 . 1 1 62 62 HIS C C 13 175.294 . . 1 . . . . 63 HIS C . 15506 1 283 . 1 1 62 62 HIS CA C 13 54.874 . . 1 . . . . 63 HIS CA . 15506 1 284 . 1 1 62 62 HIS CB C 13 29.288 . . 1 . . . . 63 HIS CB . 15506 1 285 . 1 1 62 62 HIS N N 15 121.291 . . 1 . . . . 63 HIS N . 15506 1 286 . 1 1 63 63 ILE H H 1 8.167 . . 1 . . . . 64 ILE HN . 15506 1 287 . 1 1 63 63 ILE C C 13 173.619 . . 1 . . . . 64 ILE C . 15506 1 288 . 1 1 63 63 ILE CA C 13 61.184 . . 1 . . . . 64 ILE CA . 15506 1 289 . 1 1 63 63 ILE CB C 13 38.791 . . 1 . . . . 64 ILE CB . 15506 1 290 . 1 1 63 63 ILE N N 15 122.946 . . 1 . . . . 64 ILE N . 15506 1 291 . 1 1 64 64 THR H H 1 8.206 . . 1 . . . . 65 THR HN . 15506 1 292 . 1 1 64 64 THR C C 13 176.010 . . 1 . . . . 65 THR C . 15506 1 293 . 1 1 64 64 THR CA C 13 61.675 . . 1 . . . . 65 THR CA . 15506 1 294 . 1 1 64 64 THR CB C 13 70.007 . . 1 . . . . 65 THR CB . 15506 1 295 . 1 1 64 64 THR N N 15 119.239 . . 1 . . . . 65 THR N . 15506 1 296 . 1 1 65 65 PHE H H 1 8.374 . . 1 . . . . 66 PHE HN . 15506 1 297 . 1 1 65 65 PHE C C 13 173.717 . . 1 . . . . 66 PHE C . 15506 1 298 . 1 1 65 65 PHE CA C 13 57.849 . . 1 . . . . 66 PHE CA . 15506 1 299 . 1 1 65 65 PHE CB C 13 39.727 . . 1 . . . . 66 PHE CB . 15506 1 300 . 1 1 65 65 PHE N N 15 123.902 . . 1 . . . . 66 PHE N . 15506 1 301 . 1 1 66 66 HIS H H 1 8.478 . . 1 . . . . 67 HIS HN . 15506 1 302 . 1 1 66 66 HIS C C 13 175.265 . . 1 . . . . 67 HIS C . 15506 1 303 . 1 1 66 66 HIS CA C 13 55.064 . . 1 . . . . 67 HIS CA . 15506 1 304 . 1 1 66 66 HIS CB C 13 29.126 . . 1 . . . . 67 HIS CB . 15506 1 305 . 1 1 66 66 HIS N N 15 121.830 . . 1 . . . . 67 HIS N . 15506 1 306 . 1 1 67 67 GLY H H 1 7.765 . . 1 . . . . 68 GLY HN . 15506 1 307 . 1 1 67 67 GLY C C 13 174.332 . . 1 . . . . 68 GLY C . 15506 1 308 . 1 1 67 67 GLY CA C 13 45.244 . . 1 . . . . 68 GLY CA . 15506 1 309 . 1 1 67 67 GLY N N 15 109.771 . . 1 . . . . 68 GLY N . 15506 1 310 . 1 1 68 68 ASP H H 1 8.324 . . 1 . . . . 69 ASP HN . 15506 1 311 . 1 1 68 68 ASP C C 13 173.476 . . 1 . . . . 69 ASP C . 15506 1 312 . 1 1 68 68 ASP CA C 13 54.058 . . 1 . . . . 69 ASP CA . 15506 1 313 . 1 1 68 68 ASP CB C 13 41.271 . . 1 . . . . 69 ASP CB . 15506 1 314 . 1 1 68 68 ASP N N 15 120.304 . . 1 . . . . 69 ASP N . 15506 1 315 . 1 1 69 69 ASN H H 1 8.533 . . 1 . . . . 70 ASN HN . 15506 1 316 . 1 1 69 69 ASN C C 13 176.236 . . 1 . . . . 70 ASN C . 15506 1 317 . 1 1 69 69 ASN CA C 13 53.584 . . 1 . . . . 70 ASN CA . 15506 1 318 . 1 1 69 69 ASN CB C 13 38.670 . . 1 . . . . 70 ASN CB . 15506 1 319 . 1 1 69 69 ASN N N 15 119.507 . . 1 . . . . 70 ASN N . 15506 1 320 . 1 1 70 70 ASN H H 1 8.493 . . 1 . . . . 71 ASN HN . 15506 1 321 . 1 1 70 70 ASN C C 13 175.310 . . 1 . . . . 71 ASN C . 15506 1 322 . 1 1 70 70 ASN CA C 13 53.521 . . 1 . . . . 71 ASN CA . 15506 1 323 . 1 1 70 70 ASN CB C 13 38.871 . . 1 . . . . 71 ASN CB . 15506 1 324 . 1 1 70 70 ASN N N 15 118.982 . . 1 . . . . 71 ASN N . 15506 1 325 . 1 1 71 71 SER H H 1 8.172 . . 1 . . . . 72 SER HN . 15506 1 326 . 1 1 71 71 SER C C 13 175.264 . . 1 . . . . 72 SER C . 15506 1 327 . 1 1 71 71 SER CA C 13 58.536 . . 1 . . . . 72 SER CA . 15506 1 328 . 1 1 71 71 SER CB C 13 63.767 . . 1 . . . . 72 SER CB . 15506 1 329 . 1 1 71 71 SER N N 15 115.879 . . 1 . . . . 72 SER N . 15506 1 330 . 1 1 72 72 LYS H H 1 8.202 . . 1 . . . . 73 LYS HN . 15506 1 331 . 1 1 72 72 LYS C C 13 174.186 . . 1 . . . . 73 LYS C . 15506 1 332 . 1 1 72 72 LYS CA C 13 54.236 . . 1 . . . . 73 LYS CA . 15506 1 333 . 1 1 72 72 LYS CB C 13 32.488 . . 1 . . . . 73 LYS CB . 15506 1 334 . 1 1 72 72 LYS N N 15 124.181 . . 1 . . . . 73 LYS N . 15506 1 335 . 1 1 73 73 PRO CA C 13 62.896 . . 1 . . . . 74 PRO CA . 15506 1 336 . 1 1 74 74 LYS H H 1 8.497 . . 1 . . . . 75 LYS HN . 15506 1 337 . 1 1 74 74 LYS C C 13 176.670 . . 1 . . . . 75 LYS C . 15506 1 338 . 1 1 74 74 LYS CA C 13 54.169 . . 1 . . . . 75 LYS CA . 15506 1 339 . 1 1 74 74 LYS CB C 13 32.182 . . 1 . . . . 75 LYS CB . 15506 1 340 . 1 1 74 74 LYS N N 15 123.354 . . 1 . . . . 75 LYS N . 15506 1 341 . 1 1 75 75 PRO CA C 13 63.471 . . 1 . . . . 76 PRO CA . 15506 1 342 . 1 1 75 75 PRO CB C 13 32.057 . . 1 . . . . 76 PRO CB . 15506 1 343 . 1 1 76 76 GLY H H 1 8.552 . . 1 . . . . 77 GLY HN . 15506 1 344 . 1 1 76 76 GLY C C 13 177.592 . . 1 . . . . 77 GLY C . 15506 1 345 . 1 1 76 76 GLY CA C 13 45.301 . . 1 . . . . 77 GLY CA . 15506 1 346 . 1 1 76 76 GLY N N 15 109.959 . . 1 . . . . 77 GLY N . 15506 1 347 . 1 1 77 77 GLY H H 1 8.291 . . 1 . . . . 78 GLY HN . 15506 1 348 . 1 1 77 77 GLY C C 13 174.791 . . 1 . . . . 78 GLY C . 15506 1 349 . 1 1 77 77 GLY CA C 13 45.365 . . 1 . . . . 78 GLY CA . 15506 1 350 . 1 1 77 77 GLY N N 15 108.746 . . 1 . . . . 78 GLY N . 15506 1 351 . 1 1 78 78 ASN H H 1 8.501 . . 1 . . . . 79 ASN HN . 15506 1 352 . 1 1 78 78 ASN C C 13 174.103 . . 1 . . . . 79 ASN C . 15506 1 353 . 1 1 78 78 ASN CA C 13 53.187 . . 1 . . . . 79 ASN CA . 15506 1 354 . 1 1 78 78 ASN CB C 13 39.052 . . 1 . . . . 79 ASN CB . 15506 1 355 . 1 1 78 78 ASN N N 15 118.981 . . 1 . . . . 79 ASN N . 15506 1 356 . 1 1 79 79 SER H H 1 8.418 . . 1 . . . . 80 SER HN . 15506 1 357 . 1 1 79 79 SER C C 13 175.659 . . 1 . . . . 80 SER C . 15506 1 358 . 1 1 79 79 SER CA C 13 58.901 . . 1 . . . . 80 SER CA . 15506 1 359 . 1 1 79 79 SER CB C 13 63.702 . . 1 . . . . 80 SER CB . 15506 1 360 . 1 1 79 79 SER N N 15 116.500 . . 1 . . . . 80 SER N . 15506 1 361 . 1 1 80 80 GLY H H 1 8.452 . . 1 . . . . 81 GLY HN . 15506 1 362 . 1 1 80 80 GLY C C 13 175.152 . . 1 . . . . 81 GLY C . 15506 1 363 . 1 1 80 80 GLY CA C 13 45.428 . . 1 . . . . 81 GLY CA . 15506 1 364 . 1 1 80 80 GLY N N 15 110.615 . . 1 . . . . 81 GLY N . 15506 1 365 . 1 1 81 81 ASN H H 1 8.291 . . 1 . . . . 82 ASN HN . 15506 1 366 . 1 1 81 81 ASN C C 13 173.975 . . 1 . . . . 82 ASN C . 15506 1 367 . 1 1 81 81 ASN CA C 13 53.262 . . 1 . . . . 82 ASN CA . 15506 1 368 . 1 1 81 81 ASN CB C 13 38.811 . . 1 . . . . 82 ASN CB . 15506 1 369 . 1 1 81 81 ASN N N 15 118.834 . . 1 . . . . 82 ASN N . 15506 1 370 . 1 1 82 82 ARG H H 1 8.404 . . 1 . . . . 83 ARG HN . 15506 1 371 . 1 1 82 82 ARG C C 13 175.433 . . 1 . . . . 83 ARG C . 15506 1 372 . 1 1 82 82 ARG CA C 13 56.422 . . 1 . . . . 83 ARG CA . 15506 1 373 . 1 1 82 82 ARG CB C 13 30.520 . . 1 . . . . 83 ARG CB . 15506 1 374 . 1 1 82 82 ARG N N 15 121.439 . . 1 . . . . 83 ARG N . 15506 1 375 . 1 1 83 83 GLY H H 1 8.420 . . 1 . . . . 84 GLY HN . 15506 1 376 . 1 1 83 83 GLY C C 13 176.906 . . 1 . . . . 84 GLY C . 15506 1 377 . 1 1 83 83 GLY CA C 13 45.306 . . 1 . . . . 84 GLY CA . 15506 1 378 . 1 1 83 83 GLY N N 15 109.588 . . 1 . . . . 84 GLY N . 15506 1 379 . 1 1 84 84 ASN H H 1 8.353 . . 1 . . . . 85 ASN HN . 15506 1 380 . 1 1 84 84 ASN C C 13 173.931 . . 1 . . . . 85 ASN C . 15506 1 381 . 1 1 84 84 ASN CA C 13 53.199 . . 1 . . . . 85 ASN CA . 15506 1 382 . 1 1 84 84 ASN CB C 13 38.947 . . 1 . . . . 85 ASN CB . 15506 1 383 . 1 1 84 84 ASN N N 15 118.726 . . 1 . . . . 85 ASN N . 15506 1 384 . 1 1 85 85 ASN H H 1 8.532 . . 1 . . . . 86 ASN HN . 15506 1 385 . 1 1 85 85 ASN C C 13 175.218 . . 1 . . . . 86 ASN C . 15506 1 386 . 1 1 85 85 ASN CA C 13 53.458 . . 1 . . . . 86 ASN CA . 15506 1 387 . 1 1 85 85 ASN CB C 13 38.908 . . 1 . . . . 86 ASN CB . 15506 1 388 . 1 1 85 85 ASN N N 15 119.235 . . 1 . . . . 86 ASN N . 15506 1 389 . 1 1 86 86 GLY H H 1 8.392 . . 1 . . . . 87 GLY HN . 15506 1 390 . 1 1 86 86 GLY C C 13 175.799 . . 1 . . . . 87 GLY C . 15506 1 391 . 1 1 86 86 GLY CA C 13 45.542 . . 1 . . . . 87 GLY CA . 15506 1 392 . 1 1 86 86 GLY N N 15 109.270 . . 1 . . . . 87 GLY N . 15506 1 393 . 1 1 87 87 ASP H H 1 8.248 . . 1 . . . . 88 ASP HN . 15506 1 394 . 1 1 87 87 ASP C C 13 174.202 . . 1 . . . . 88 ASP C . 15506 1 395 . 1 1 87 87 ASP CA C 13 54.302 . . 1 . . . . 88 ASP CA . 15506 1 396 . 1 1 87 87 ASP CB C 13 41.034 . . 1 . . . . 88 ASP CB . 15506 1 397 . 1 1 87 87 ASP N N 15 120.390 . . 1 . . . . 88 ASP N . 15506 1 398 . 1 1 88 88 GLY H H 1 8.436 . . 1 . . . . 89 GLY HN . 15506 1 399 . 1 1 88 88 GLY C C 13 176.981 . . 1 . . . . 89 GLY C . 15506 1 400 . 1 1 88 88 GLY CA C 13 45.507 . . 1 . . . . 89 GLY CA . 15506 1 401 . 1 1 88 88 GLY N N 15 109.583 . . 1 . . . . 89 GLY N . 15506 1 402 . 1 1 89 89 ALA H H 1 8.196 . . 1 . . . . 90 ALA HN . 15506 1 403 . 1 1 89 89 ALA C C 13 174.186 . . 1 . . . . 90 ALA C . 15506 1 404 . 1 1 89 89 ALA CA C 13 52.713 . . 1 . . . . 90 ALA CA . 15506 1 405 . 1 1 89 89 ALA CB C 13 19.164 . . 1 . . . . 90 ALA CB . 15506 1 406 . 1 1 89 89 ALA N N 15 123.931 . . 1 . . . . 90 ALA N . 15506 1 stop_ save_