data_11498 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11498 _Entry.Title ; Backbone resonance assignment for the unique and SH3 domains of mouse lymphocyte specific kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-04 _Entry.Accession_date 2012-05-09 _Entry.Last_release_date 2012-05-09 _Entry.Original_release_date 2012-05-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.1.21 _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 Hua Li . . . . 11498 2 Chenqi Xu . . . . 11498 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 na 'SIBCB, Institute for Biological Sciences, Chinese Academy of Sciences' . 11498 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11498 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 11498 '15N chemical shifts' 102 11498 '1H chemical shifts' 102 11498 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 1 . . 2019-09-05 . original BMRB . 11498 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11498 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28659468 _Citation.Full_citation . _Citation.Title ; Ionic CD3-Lck interaction regulates the initiation of T-cell receptor signaling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 114 _Citation.Journal_issue 29 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 E5891 _Citation.Page_last E5899 _Citation.Year 2017 _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 Lunyi Li L. . . . 11498 1 2 Xingdong Guo X. . . . 11498 1 3 Xiaoshan Shi X. . . . 11498 1 4 Changting Li C. . . . 11498 1 5 Wei Wu W. . . . 11498 1 6 Chengsong Yan C. . . . 11498 1 7 Haopeng Wang H. . . . 11498 1 8 Hua Li H. . . . 11498 1 9 Chenqi Xu C. . . . 11498 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SH3 11498 1 'Src family' 11498 1 'Unique domain' 11498 1 'mouse Lck' 11498 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11498 _Assembly.ID 1 _Assembly.Name 'Unique and SH3 domains of mouse Lck' _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 'Unique and SH3 domains of mouse Lck' 1 $Unique_and_SH3_domains_of_mouse_Lck A . yes native no no . . . 11498 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Unique_and_SH3_domains_of_mouse_Lck _Entity.Sf_category entity _Entity.Sf_framecode Unique_and_SH3_domains_of_mouse_Lck _Entity.Entry_ID 11498 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Unique_and_SH3_domains_of_mouse_Lck _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 ; GSSNPEDDWMENIDVCENCH YPIVPLDSKISLPIRNGSEV RDPLVTYEGSLPPASPLQDN LVIALHSYEPSHDGDLGFEK GEQLRILEQSGEWWKAQSLT TGQEGFIPFNFVAKANS ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . GLY . 11498 1 2 . SER . 11498 1 3 . SER . 11498 1 4 . ASN . 11498 1 5 . PRO . 11498 1 6 . GLU . 11498 1 7 . ASP . 11498 1 8 . ASP . 11498 1 9 . TRP . 11498 1 10 . MET . 11498 1 11 . GLU . 11498 1 12 . ASN . 11498 1 13 . ILE . 11498 1 14 . ASP . 11498 1 15 . VAL . 11498 1 16 . CYS . 11498 1 17 . GLU . 11498 1 18 . ASN . 11498 1 19 . CYS . 11498 1 20 . HIS . 11498 1 21 . TYR . 11498 1 22 . PRO . 11498 1 23 . ILE . 11498 1 24 . VAL . 11498 1 25 . PRO . 11498 1 26 . LEU . 11498 1 27 . ASP . 11498 1 28 . SER . 11498 1 29 . LYS . 11498 1 30 . ILE . 11498 1 31 . SER . 11498 1 32 . LEU . 11498 1 33 . PRO . 11498 1 34 . ILE . 11498 1 35 . ARG . 11498 1 36 . ASN . 11498 1 37 . GLY . 11498 1 38 . SER . 11498 1 39 . GLU . 11498 1 40 . VAL . 11498 1 41 . ARG . 11498 1 42 . ASP . 11498 1 43 . PRO . 11498 1 44 . LEU . 11498 1 45 . VAL . 11498 1 46 . THR . 11498 1 47 . TYR . 11498 1 48 . GLU . 11498 1 49 . GLY . 11498 1 50 . SER . 11498 1 51 . LEU . 11498 1 52 . PRO . 11498 1 53 . PRO . 11498 1 54 . ALA . 11498 1 55 . SER . 11498 1 56 . PRO . 11498 1 57 . LEU . 11498 1 58 . GLN . 11498 1 59 . ASP . 11498 1 60 . ASN . 11498 1 61 . LEU . 11498 1 62 . VAL . 11498 1 63 . ILE . 11498 1 64 . ALA . 11498 1 65 . LEU . 11498 1 66 . HIS . 11498 1 67 . SER . 11498 1 68 . TYR . 11498 1 69 . GLU . 11498 1 70 . PRO . 11498 1 71 . SER . 11498 1 72 . HIS . 11498 1 73 . ASP . 11498 1 74 . GLY . 11498 1 75 . ASP . 11498 1 76 . LEU . 11498 1 77 . GLY . 11498 1 78 . PHE . 11498 1 79 . GLU . 11498 1 80 . LYS . 11498 1 81 . GLY . 11498 1 82 . GLU . 11498 1 83 . GLN . 11498 1 84 . LEU . 11498 1 85 . ARG . 11498 1 86 . ILE . 11498 1 87 . LEU . 11498 1 88 . GLU . 11498 1 89 . GLN . 11498 1 90 . SER . 11498 1 91 . GLY . 11498 1 92 . GLU . 11498 1 93 . TRP . 11498 1 94 . TRP . 11498 1 95 . LYS . 11498 1 96 . ALA . 11498 1 97 . GLN . 11498 1 98 . SER . 11498 1 99 . LEU . 11498 1 100 . THR . 11498 1 101 . THR . 11498 1 102 . GLY . 11498 1 103 . GLN . 11498 1 104 . GLU . 11498 1 105 . GLY . 11498 1 106 . PHE . 11498 1 107 . ILE . 11498 1 108 . PRO . 11498 1 109 . PHE . 11498 1 110 . ASN . 11498 1 111 . PHE . 11498 1 112 . VAL . 11498 1 113 . ALA . 11498 1 114 . LYS . 11498 1 115 . ALA . 11498 1 116 . ASN . 11498 1 117 . SER . 11498 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 11498 1 . SER 2 2 11498 1 . SER 3 3 11498 1 . ASN 4 4 11498 1 . PRO 5 5 11498 1 . GLU 6 6 11498 1 . ASP 7 7 11498 1 . ASP 8 8 11498 1 . TRP 9 9 11498 1 . MET 10 10 11498 1 . GLU 11 11 11498 1 . ASN 12 12 11498 1 . ILE 13 13 11498 1 . ASP 14 14 11498 1 . VAL 15 15 11498 1 . CYS 16 16 11498 1 . GLU 17 17 11498 1 . ASN 18 18 11498 1 . CYS 19 19 11498 1 . HIS 20 20 11498 1 . TYR 21 21 11498 1 . PRO 22 22 11498 1 . ILE 23 23 11498 1 . VAL 24 24 11498 1 . PRO 25 25 11498 1 . LEU 26 26 11498 1 . ASP 27 27 11498 1 . SER 28 28 11498 1 . LYS 29 29 11498 1 . ILE 30 30 11498 1 . SER 31 31 11498 1 . LEU 32 32 11498 1 . PRO 33 33 11498 1 . ILE 34 34 11498 1 . ARG 35 35 11498 1 . ASN 36 36 11498 1 . GLY 37 37 11498 1 . SER 38 38 11498 1 . GLU 39 39 11498 1 . VAL 40 40 11498 1 . ARG 41 41 11498 1 . ASP 42 42 11498 1 . PRO 43 43 11498 1 . LEU 44 44 11498 1 . VAL 45 45 11498 1 . THR 46 46 11498 1 . TYR 47 47 11498 1 . GLU 48 48 11498 1 . GLY 49 49 11498 1 . SER 50 50 11498 1 . LEU 51 51 11498 1 . PRO 52 52 11498 1 . PRO 53 53 11498 1 . ALA 54 54 11498 1 . SER 55 55 11498 1 . PRO 56 56 11498 1 . LEU 57 57 11498 1 . GLN 58 58 11498 1 . ASP 59 59 11498 1 . ASN 60 60 11498 1 . LEU 61 61 11498 1 . VAL 62 62 11498 1 . ILE 63 63 11498 1 . ALA 64 64 11498 1 . LEU 65 65 11498 1 . HIS 66 66 11498 1 . SER 67 67 11498 1 . TYR 68 68 11498 1 . GLU 69 69 11498 1 . PRO 70 70 11498 1 . SER 71 71 11498 1 . HIS 72 72 11498 1 . ASP 73 73 11498 1 . GLY 74 74 11498 1 . ASP 75 75 11498 1 . LEU 76 76 11498 1 . GLY 77 77 11498 1 . PHE 78 78 11498 1 . GLU 79 79 11498 1 . LYS 80 80 11498 1 . GLY 81 81 11498 1 . GLU 82 82 11498 1 . GLN 83 83 11498 1 . LEU 84 84 11498 1 . ARG 85 85 11498 1 . ILE 86 86 11498 1 . LEU 87 87 11498 1 . GLU 88 88 11498 1 . GLN 89 89 11498 1 . SER 90 90 11498 1 . GLY 91 91 11498 1 . GLU 92 92 11498 1 . TRP 93 93 11498 1 . TRP 94 94 11498 1 . LYS 95 95 11498 1 . ALA 96 96 11498 1 . GLN 97 97 11498 1 . SER 98 98 11498 1 . LEU 99 99 11498 1 . THR 100 100 11498 1 . THR 101 101 11498 1 . GLY 102 102 11498 1 . GLN 103 103 11498 1 . GLU 104 104 11498 1 . GLY 105 105 11498 1 . PHE 106 106 11498 1 . ILE 107 107 11498 1 . PRO 108 108 11498 1 . PHE 109 109 11498 1 . ASN 110 110 11498 1 . PHE 111 111 11498 1 . VAL 112 112 11498 1 . ALA 113 113 11498 1 . LYS 114 114 11498 1 . ALA 115 115 11498 1 . ASN 116 116 11498 1 . SER 117 117 11498 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 11498 _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 $Unique_and_SH3_domains_of_mouse_Lck . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 11498 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 11498 _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 $Unique_and_SH3_domains_of_mouse_Lck . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . N/A . . . 11498 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11498 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Unique and SH3 domains of mouse Lck' '[U-100% 13C; U-100% 15N]' . . 1 $Unique_and_SH3_domains_of_mouse_Lck . protein 1 . . mM . . . . 11498 1 2 H2O . . . . . . solvent 90 . . % . . . . 11498 1 3 D2O . . . . . . solvent 10 . . % . . . . 11498 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 18 . . mM . . . . 11498 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 11498 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 18 . mM 11498 1 pH 7.0 . pH 11498 1 pressure 1 . atm 11498 1 temperature 300 . K 11498 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11498 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11498 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 11498 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11498 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11498 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 11498 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 11498 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11498 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 11498 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11498 _Software.ID 4 _Software.Type . _Software.Name Kujira _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohiro Kobayashi' . . 11498 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 11498 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11498 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11498 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 11498 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 11498 _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 . . . . . . . . . . . . . . . . 11498 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11498 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11498 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11498 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11498 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11498 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 11498 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11498 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11498 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11498 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 11498 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 11498 1 2 '3D HNCO' . . . 11498 1 3 '3D HNCA' . . . 11498 1 4 '3D HNCACB' . . . 11498 1 5 '3D CBCA(CO)NH' . . . 11498 1 6 '3D HN(CA)CO' . . . 11498 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 2 2 SER C C 13 173.649 0.300 . 1 . . . . . 2 SER C . 11498 1 2 . 1 1 3 3 SER H H 1 8.497 0.030 . 1 . . . . . 3 SER H . 11498 1 3 . 1 1 3 3 SER C C 13 172.708 0.300 . 1 . . . . . 3 SER C . 11498 1 4 . 1 1 3 3 SER CA C 13 58.551 0.300 . 1 . . . . . 3 SER CA . 11498 1 5 . 1 1 3 3 SER CB C 13 63.708 0.300 . 1 . . . . . 3 SER CB . 11498 1 6 . 1 1 3 3 SER N N 15 117.621 0.300 . 1 . . . . . 3 SER N . 11498 1 7 . 1 1 4 4 ASN H H 1 8.416 0.030 . 1 . . . . . 4 ASN H . 11498 1 8 . 1 1 4 4 ASN C C 13 172.643 0.300 . 1 . . . . . 4 ASN C . 11498 1 9 . 1 1 4 4 ASN CA C 13 51.151 0.300 . 1 . . . . . 4 ASN CA . 11498 1 10 . 1 1 4 4 ASN CB C 13 38.675 0.300 . 1 . . . . . 4 ASN CB . 11498 1 11 . 1 1 4 4 ASN N N 15 121.142 0.300 . 1 . . . . . 4 ASN N . 11498 1 12 . 1 1 5 5 PRO C C 13 176.544 0.300 . 1 . . . . . 5 PRO C . 11498 1 13 . 1 1 5 5 PRO CA C 13 64.249 0.300 . 1 . . . . . 5 PRO CA . 11498 1 14 . 1 1 5 5 PRO CB C 13 31.863 0.300 . 1 . . . . . 5 PRO CB . 11498 1 15 . 1 1 6 6 GLU H H 1 8.521 0.030 . 1 . . . . . 6 GLU H . 11498 1 16 . 1 1 6 6 GLU C C 13 175.751 0.300 . 1 . . . . . 6 GLU C . 11498 1 17 . 1 1 6 6 GLU CA C 13 57.307 0.300 . 1 . . . . . 6 GLU CA . 11498 1 18 . 1 1 6 6 GLU CB C 13 29.211 0.300 . 1 . . . . . 6 GLU CB . 11498 1 19 . 1 1 6 6 GLU N N 15 118.354 0.300 . 1 . . . . . 6 GLU N . 11498 1 20 . 1 1 7 7 ASP H H 1 7.919 0.030 . 1 . . . . . 7 ASP H . 11498 1 21 . 1 1 7 7 ASP C C 13 175.428 0.300 . 1 . . . . . 7 ASP C . 11498 1 22 . 1 1 7 7 ASP CA C 13 54.851 0.300 . 1 . . . . . 7 ASP CA . 11498 1 23 . 1 1 7 7 ASP CB C 13 40.959 0.300 . 1 . . . . . 7 ASP CB . 11498 1 24 . 1 1 7 7 ASP N N 15 119.648 0.300 . 1 . . . . . 7 ASP N . 11498 1 25 . 1 1 8 8 ASP H H 1 7.984 0.030 . 1 . . . . . 8 ASP H . 11498 1 26 . 1 1 8 8 ASP C C 13 175.320 0.300 . 1 . . . . . 8 ASP C . 11498 1 27 . 1 1 8 8 ASP CA C 13 54.949 0.300 . 1 . . . . . 8 ASP CA . 11498 1 28 . 1 1 8 8 ASP CB C 13 40.877 0.300 . 1 . . . . . 8 ASP CB . 11498 1 29 . 1 1 8 8 ASP N N 15 120.472 0.300 . 1 . . . . . 8 ASP N . 11498 1 30 . 1 1 9 9 TRP H H 1 7.889 0.030 . 1 . . . . . 9 TRP H . 11498 1 31 . 1 1 9 9 TRP C C 13 175.346 0.300 . 1 . . . . . 9 TRP C . 11498 1 32 . 1 1 9 9 TRP CA C 13 57.733 0.300 . 1 . . . . . 9 TRP CA . 11498 1 33 . 1 1 9 9 TRP CB C 13 28.884 0.300 . 1 . . . . . 9 TRP CB . 11498 1 34 . 1 1 9 9 TRP N N 15 120.762 0.300 . 1 . . . . . 9 TRP N . 11498 1 35 . 1 1 10 10 MET H H 1 7.698 0.030 . 1 . . . . . 10 MET H . 11498 1 36 . 1 1 10 10 MET C C 13 174.641 0.300 . 1 . . . . . 10 MET C . 11498 1 37 . 1 1 10 10 MET CA C 13 55.834 0.300 . 1 . . . . . 10 MET CA . 11498 1 38 . 1 1 10 10 MET CB C 13 32.813 0.300 . 1 . . . . . 10 MET CB . 11498 1 39 . 1 1 10 10 MET N N 15 121.689 0.300 . 1 . . . . . 10 MET N . 11498 1 40 . 1 1 11 11 GLU H H 1 7.988 0.030 . 1 . . . . . 11 GLU H . 11498 1 41 . 1 1 11 11 GLU C C 13 173.059 0.300 . 1 . . . . . 11 GLU C . 11498 1 42 . 1 1 11 11 GLU CA C 13 55.538 0.300 . 1 . . . . . 11 GLU CA . 11498 1 43 . 1 1 11 11 GLU CB C 13 29.907 0.300 . 1 . . . . . 11 GLU CB . 11498 1 44 . 1 1 11 11 GLU N N 15 120.838 0.300 . 1 . . . . . 11 GLU N . 11498 1 45 . 1 1 12 12 ASN H H 1 8.047 0.030 . 1 . . . . . 12 ASN H . 11498 1 46 . 1 1 12 12 ASN C C 13 173.945 0.300 . 1 . . . . . 12 ASN C . 11498 1 47 . 1 1 12 12 ASN CA C 13 55.703 0.300 . 1 . . . . . 12 ASN CA . 11498 1 48 . 1 1 12 12 ASN CB C 13 38.544 0.300 . 1 . . . . . 12 ASN CB . 11498 1 49 . 1 1 12 12 ASN N N 15 122.534 0.300 . 1 . . . . . 12 ASN N . 11498 1 50 . 1 1 13 13 ILE H H 1 7.987 0.030 . 1 . . . . . 13 ILE H . 11498 1 51 . 1 1 13 13 ILE C C 13 174.697 0.300 . 1 . . . . . 13 ILE C . 11498 1 52 . 1 1 13 13 ILE CA C 13 61.204 0.300 . 1 . . . . . 13 ILE CA . 11498 1 53 . 1 1 13 13 ILE CB C 13 38.790 0.300 . 1 . . . . . 13 ILE CB . 11498 1 54 . 1 1 13 13 ILE N N 15 120.887 0.300 . 1 . . . . . 13 ILE N . 11498 1 55 . 1 1 14 14 ASP H H 1 8.383 0.030 . 1 . . . . . 14 ASP H . 11498 1 56 . 1 1 14 14 ASP C C 13 175.256 0.300 . 1 . . . . . 14 ASP C . 11498 1 57 . 1 1 14 14 ASP CA C 13 54.426 0.300 . 1 . . . . . 14 ASP CA . 11498 1 58 . 1 1 14 14 ASP CB C 13 41.204 0.300 . 1 . . . . . 14 ASP CB . 11498 1 59 . 1 1 14 14 ASP N N 15 124.109 0.300 . 1 . . . . . 14 ASP N . 11498 1 60 . 1 1 15 15 VAL H H 1 8.043 0.030 . 1 . . . . . 15 VAL H . 11498 1 61 . 1 1 15 15 VAL C C 13 175.202 0.300 . 1 . . . . . 15 VAL C . 11498 1 62 . 1 1 15 15 VAL CA C 13 62.547 0.300 . 1 . . . . . 15 VAL CA . 11498 1 63 . 1 1 15 15 VAL CB C 13 32.445 0.300 . 1 . . . . . 15 VAL CB . 11498 1 64 . 1 1 15 15 VAL N N 15 120.153 0.300 . 1 . . . . . 15 VAL N . 11498 1 65 . 1 1 16 16 CYS H H 1 8.386 0.030 . 1 . . . . . 16 CYS H . 11498 1 66 . 1 1 16 16 CYS C C 13 173.670 0.300 . 1 . . . . . 16 CYS C . 11498 1 67 . 1 1 16 16 CYS CA C 13 58.748 0.300 . 1 . . . . . 16 CYS CA . 11498 1 68 . 1 1 16 16 CYS CB C 13 27.901 0.300 . 1 . . . . . 16 CYS CB . 11498 1 69 . 1 1 16 16 CYS N N 15 122.561 0.300 . 1 . . . . . 16 CYS N . 11498 1 70 . 1 1 17 17 GLU H H 1 8.484 0.030 . 1 . . . . . 17 GLU H . 11498 1 71 . 1 1 17 17 GLU C C 13 175.167 0.300 . 1 . . . . . 17 GLU C . 11498 1 72 . 1 1 17 17 GLU CA C 13 57.144 0.300 . 1 . . . . . 17 GLU CA . 11498 1 73 . 1 1 17 17 GLU CB C 13 30.071 0.300 . 1 . . . . . 17 GLU CB . 11498 1 74 . 1 1 17 17 GLU N N 15 123.265 0.300 . 1 . . . . . 17 GLU N . 11498 1 75 . 1 1 18 18 ASN H H 1 8.417 0.030 . 1 . . . . . 18 ASN H . 11498 1 76 . 1 1 18 18 ASN C C 13 173.931 0.300 . 1 . . . . . 18 ASN C . 11498 1 77 . 1 1 18 18 ASN CA C 13 53.410 0.300 . 1 . . . . . 18 ASN CA . 11498 1 78 . 1 1 18 18 ASN CB C 13 38.707 0.300 . 1 . . . . . 18 ASN CB . 11498 1 79 . 1 1 18 18 ASN N N 15 119.283 0.300 . 1 . . . . . 18 ASN N . 11498 1 80 . 1 1 19 19 CYS H H 1 8.140 0.030 . 1 . . . . . 19 CYS H . 11498 1 81 . 1 1 19 19 CYS C C 13 172.907 0.300 . 1 . . . . . 19 CYS C . 11498 1 82 . 1 1 19 19 CYS CA C 13 58.617 0.300 . 1 . . . . . 19 CYS CA . 11498 1 83 . 1 1 19 19 CYS CB C 13 27.624 0.300 . 1 . . . . . 19 CYS CB . 11498 1 84 . 1 1 19 19 CYS N N 15 119.009 0.300 . 1 . . . . . 19 CYS N . 11498 1 85 . 1 1 20 20 HIS C C 13 174.992 0.300 . 1 . . . . . 20 HIS C . 11498 1 86 . 1 1 20 20 HIS CA C 13 56.652 0.300 . 1 . . . . . 20 HIS CA . 11498 1 87 . 1 1 20 20 HIS CB C 13 30.062 0.300 . 1 . . . . . 20 HIS CB . 11498 1 88 . 1 1 21 21 TYR H H 1 8.304 0.030 . 1 . . . . . 21 TYR H . 11498 1 89 . 1 1 21 21 TYR C C 13 173.916 0.300 . 1 . . . . . 21 TYR C . 11498 1 90 . 1 1 21 21 TYR CA C 13 53.312 0.300 . 1 . . . . . 21 TYR CA . 11498 1 91 . 1 1 21 21 TYR CB C 13 38.839 0.300 . 1 . . . . . 21 TYR CB . 11498 1 92 . 1 1 21 21 TYR N N 15 119.479 0.300 . 1 . . . . . 21 TYR N . 11498 1 93 . 1 1 22 22 PRO C C 13 175.406 0.300 . 1 . . . . . 22 PRO C . 11498 1 94 . 1 1 22 22 PRO CA C 13 63.005 0.300 . 1 . . . . . 22 PRO CA . 11498 1 95 . 1 1 22 22 PRO CB C 13 31.945 0.300 . 1 . . . . . 22 PRO CB . 11498 1 96 . 1 1 23 23 ILE H H 1 8.220 0.030 . 1 . . . . . 23 ILE H . 11498 1 97 . 1 1 23 23 ILE C C 13 175.277 0.300 . 1 . . . . . 23 ILE C . 11498 1 98 . 1 1 23 23 ILE CA C 13 61.040 0.300 . 1 . . . . . 23 ILE CA . 11498 1 99 . 1 1 23 23 ILE CB C 13 38.544 0.300 . 1 . . . . . 23 ILE CB . 11498 1 100 . 1 1 23 23 ILE N N 15 121.569 0.300 . 1 . . . . . 23 ILE N . 11498 1 101 . 1 1 24 24 VAL H H 1 8.233 0.030 . 1 . . . . . 24 VAL H . 11498 1 102 . 1 1 24 24 VAL C C 13 175.357 0.300 . 1 . . . . . 24 VAL C . 11498 1 103 . 1 1 24 24 VAL CA C 13 59.861 0.300 . 1 . . . . . 24 VAL CA . 11498 1 104 . 1 1 24 24 VAL CB C 13 32.617 0.300 . 1 . . . . . 24 VAL CB . 11498 1 105 . 1 1 24 24 VAL N N 15 126.572 0.300 . 1 . . . . . 24 VAL N . 11498 1 106 . 1 1 25 25 PRO C C 13 175.878 0.300 . 1 . . . . . 25 PRO C . 11498 1 107 . 1 1 25 25 PRO CA C 13 62.939 0.300 . 1 . . . . . 25 PRO CA . 11498 1 108 . 1 1 25 25 PRO CB C 13 32.190 0.300 . 1 . . . . . 25 PRO CB . 11498 1 109 . 1 1 26 26 LEU H H 1 8.355 0.030 . 1 . . . . . 26 LEU H . 11498 1 110 . 1 1 26 26 LEU C C 13 176.278 0.300 . 1 . . . . . 26 LEU C . 11498 1 111 . 1 1 26 26 LEU CA C 13 55.473 0.300 . 1 . . . . . 26 LEU CA . 11498 1 112 . 1 1 26 26 LEU CB C 13 42.391 0.300 . 1 . . . . . 26 LEU CB . 11498 1 113 . 1 1 26 26 LEU N N 15 122.827 0.300 . 1 . . . . . 26 LEU N . 11498 1 114 . 1 1 27 27 ASP H H 1 8.327 0.030 . 1 . . . . . 27 ASP H . 11498 1 115 . 1 1 27 27 ASP C C 13 175.273 0.300 . 1 . . . . . 27 ASP C . 11498 1 116 . 1 1 27 27 ASP CA C 13 54.163 0.300 . 1 . . . . . 27 ASP CA . 11498 1 117 . 1 1 27 27 ASP CB C 13 41.204 0.300 . 1 . . . . . 27 ASP CB . 11498 1 118 . 1 1 27 27 ASP N N 15 120.865 0.300 . 1 . . . . . 27 ASP N . 11498 1 119 . 1 1 28 28 SER H H 1 8.170 0.030 . 1 . . . . . 28 SER H . 11498 1 120 . 1 1 28 28 SER C C 13 173.484 0.300 . 1 . . . . . 28 SER C . 11498 1 121 . 1 1 28 28 SER CA C 13 58.813 0.300 . 1 . . . . . 28 SER CA . 11498 1 122 . 1 1 28 28 SER CB C 13 63.807 0.300 . 1 . . . . . 28 SER CB . 11498 1 123 . 1 1 28 28 SER N N 15 116.629 0.300 . 1 . . . . . 28 SER N . 11498 1 124 . 1 1 29 29 LYS C C 13 175.376 0.300 . 1 . . . . . 29 LYS C . 11498 1 125 . 1 1 29 29 LYS CA C 13 56.325 0.300 . 1 . . . . . 29 LYS CA . 11498 1 126 . 1 1 29 29 LYS CB C 13 32.436 0.300 . 1 . . . . . 29 LYS CB . 11498 1 127 . 1 1 30 30 ILE H H 1 7.925 0.030 . 1 . . . . . 30 ILE H . 11498 1 128 . 1 1 30 30 ILE C C 13 174.694 0.300 . 1 . . . . . 30 ILE C . 11498 1 129 . 1 1 30 30 ILE CA C 13 60.909 0.300 . 1 . . . . . 30 ILE CA . 11498 1 130 . 1 1 30 30 ILE CB C 13 38.748 0.300 . 1 . . . . . 30 ILE CB . 11498 1 131 . 1 1 30 30 ILE N N 15 121.458 0.300 . 1 . . . . . 30 ILE N . 11498 1 132 . 1 1 31 31 SER H H 1 8.274 0.030 . 1 . . . . . 31 SER H . 11498 1 133 . 1 1 31 31 SER C C 13 172.698 0.300 . 1 . . . . . 31 SER C . 11498 1 134 . 1 1 31 31 SER CA C 13 57.930 0.300 . 1 . . . . . 31 SER CA . 11498 1 135 . 1 1 31 31 SER CB C 13 63.962 0.300 . 1 . . . . . 31 SER CB . 11498 1 136 . 1 1 31 31 SER N N 15 120.555 0.300 . 1 . . . . . 31 SER N . 11498 1 137 . 1 1 32 32 LEU H H 1 8.339 0.030 . 1 . . . . . 32 LEU H . 11498 1 138 . 1 1 32 32 LEU C C 13 174.132 0.300 . 1 . . . . . 32 LEU C . 11498 1 139 . 1 1 32 32 LEU CA C 13 53.050 0.300 . 1 . . . . . 32 LEU CA . 11498 1 140 . 1 1 32 32 LEU CB C 13 41.868 0.300 . 1 . . . . . 32 LEU CB . 11498 1 141 . 1 1 32 32 LEU N N 15 125.506 0.300 . 1 . . . . . 32 LEU N . 11498 1 142 . 1 1 33 33 PRO C C 13 175.828 0.300 . 1 . . . . . 33 PRO C . 11498 1 143 . 1 1 33 33 PRO CA C 13 62.546 0.300 . 1 . . . . . 33 PRO CA . 11498 1 144 . 1 1 33 33 PRO CB C 13 31.863 0.300 . 1 . . . . . 33 PRO CB . 11498 1 145 . 1 1 34 34 ILE H H 1 8.370 0.030 . 1 . . . . . 34 ILE H . 11498 1 146 . 1 1 34 34 ILE C C 13 175.541 0.300 . 1 . . . . . 34 ILE C . 11498 1 147 . 1 1 34 34 ILE CA C 13 61.466 0.300 . 1 . . . . . 34 ILE CA . 11498 1 148 . 1 1 34 34 ILE CB C 13 38.462 0.300 . 1 . . . . . 34 ILE CB . 11498 1 149 . 1 1 34 34 ILE N N 15 121.863 0.300 . 1 . . . . . 34 ILE N . 11498 1 150 . 1 1 35 35 ARG H H 1 8.465 0.030 . 1 . . . . . 35 ARG H . 11498 1 151 . 1 1 35 35 ARG C C 13 174.755 0.300 . 1 . . . . . 35 ARG C . 11498 1 152 . 1 1 35 35 ARG CA C 13 55.604 0.300 . 1 . . . . . 35 ARG CA . 11498 1 153 . 1 1 35 35 ARG CB C 13 30.767 0.300 . 1 . . . . . 35 ARG CB . 11498 1 154 . 1 1 35 35 ARG N N 15 126.032 0.300 . 1 . . . . . 35 ARG N . 11498 1 155 . 1 1 36 36 ASN H H 1 8.627 0.030 . 1 . . . . . 36 ASN H . 11498 1 156 . 1 1 36 36 ASN C C 13 174.757 0.300 . 1 . . . . . 36 ASN C . 11498 1 157 . 1 1 36 36 ASN CA C 13 53.214 0.300 . 1 . . . . . 36 ASN CA . 11498 1 158 . 1 1 36 36 ASN CB C 13 38.953 0.300 . 1 . . . . . 36 ASN CB . 11498 1 159 . 1 1 36 36 ASN N N 15 121.275 0.300 . 1 . . . . . 36 ASN N . 11498 1 160 . 1 1 37 37 GLY H H 1 8.571 0.030 . 1 . . . . . 37 GLY H . 11498 1 161 . 1 1 37 37 GLY C C 13 173.320 0.300 . 1 . . . . . 37 GLY C . 11498 1 162 . 1 1 37 37 GLY CA C 13 45.552 0.300 . 1 . . . . . 37 GLY CA . 11498 1 163 . 1 1 37 37 GLY N N 15 110.176 0.300 . 1 . . . . . 37 GLY N . 11498 1 164 . 1 1 38 38 SER H H 1 8.224 0.030 . 1 . . . . . 38 SER H . 11498 1 165 . 1 1 38 38 SER C C 13 173.371 0.300 . 1 . . . . . 38 SER C . 11498 1 166 . 1 1 38 38 SER CA C 13 58.650 0.300 . 1 . . . . . 38 SER CA . 11498 1 167 . 1 1 38 38 SER CB C 13 63.921 0.300 . 1 . . . . . 38 SER CB . 11498 1 168 . 1 1 38 38 SER N N 15 115.622 0.300 . 1 . . . . . 38 SER N . 11498 1 169 . 1 1 39 39 GLU H H 1 8.547 0.030 . 1 . . . . . 39 GLU H . 11498 1 170 . 1 1 39 39 GLU C C 13 175.200 0.300 . 1 . . . . . 39 GLU C . 11498 1 171 . 1 1 39 39 GLU CA C 13 56.685 0.300 . 1 . . . . . 39 GLU CA . 11498 1 172 . 1 1 39 39 GLU CB C 13 29.907 0.300 . 1 . . . . . 39 GLU CB . 11498 1 173 . 1 1 39 39 GLU N N 15 122.799 0.300 . 1 . . . . . 39 GLU N . 11498 1 174 . 1 1 40 40 VAL H H 1 8.129 0.030 . 1 . . . . . 40 VAL H . 11498 1 175 . 1 1 40 40 VAL C C 13 174.877 0.300 . 1 . . . . . 40 VAL C . 11498 1 176 . 1 1 40 40 VAL CA C 13 62.415 0.300 . 1 . . . . . 40 VAL CA . 11498 1 177 . 1 1 40 40 VAL CB C 13 32.445 0.300 . 1 . . . . . 40 VAL CB . 11498 1 178 . 1 1 40 40 VAL N N 15 121.944 0.300 . 1 . . . . . 40 VAL N . 11498 1 179 . 1 1 41 41 ARG H H 1 8.385 0.030 . 1 . . . . . 41 ARG H . 11498 1 180 . 1 1 41 41 ARG C C 13 174.504 0.300 . 1 . . . . . 41 ARG C . 11498 1 181 . 1 1 41 41 ARG CA C 13 55.572 0.300 . 1 . . . . . 41 ARG CA . 11498 1 182 . 1 1 41 41 ARG CB C 13 31.176 0.300 . 1 . . . . . 41 ARG CB . 11498 1 183 . 1 1 41 41 ARG N N 15 125.746 0.300 . 1 . . . . . 41 ARG N . 11498 1 184 . 1 1 42 42 ASP H H 1 8.396 0.030 . 1 . . . . . 42 ASP H . 11498 1 185 . 1 1 42 42 ASP C C 13 173.964 0.300 . 1 . . . . . 42 ASP C . 11498 1 186 . 1 1 42 42 ASP CA C 13 52.199 0.300 . 1 . . . . . 42 ASP CA . 11498 1 187 . 1 1 42 42 ASP CB C 13 41.213 0.300 . 1 . . . . . 42 ASP CB . 11498 1 188 . 1 1 42 42 ASP N N 15 123.955 0.300 . 1 . . . . . 42 ASP N . 11498 1 189 . 1 1 43 43 PRO C C 13 175.845 0.300 . 1 . . . . . 43 PRO C . 11498 1 190 . 1 1 43 43 PRO CA C 13 63.398 0.300 . 1 . . . . . 43 PRO CA . 11498 1 191 . 1 1 43 43 PRO CB C 13 31.863 0.300 . 1 . . . . . 43 PRO CB . 11498 1 192 . 1 1 44 44 LEU H H 1 8.250 0.030 . 1 . . . . . 44 LEU H . 11498 1 193 . 1 1 44 44 LEU C C 13 176.423 0.300 . 1 . . . . . 44 LEU C . 11498 1 194 . 1 1 44 44 LEU CA C 13 55.407 0.300 . 1 . . . . . 44 LEU CA . 11498 1 195 . 1 1 44 44 LEU CB C 13 42.160 0.300 . 1 . . . . . 44 LEU CB . 11498 1 196 . 1 1 44 44 LEU N N 15 121.749 0.300 . 1 . . . . . 44 LEU N . 11498 1 197 . 1 1 45 45 VAL H H 1 7.819 0.030 . 1 . . . . . 45 VAL H . 11498 1 198 . 1 1 45 45 VAL C C 13 174.762 0.300 . 1 . . . . . 45 VAL C . 11498 1 199 . 1 1 45 45 VAL CA C 13 62.317 0.300 . 1 . . . . . 45 VAL CA . 11498 1 200 . 1 1 45 45 VAL CB C 13 32.691 0.300 . 1 . . . . . 45 VAL CB . 11498 1 201 . 1 1 45 45 VAL N N 15 120.907 0.300 . 1 . . . . . 45 VAL N . 11498 1 202 . 1 1 46 46 THR H H 1 8.084 0.030 . 1 . . . . . 46 THR H . 11498 1 203 . 1 1 46 46 THR C C 13 172.889 0.300 . 1 . . . . . 46 THR C . 11498 1 204 . 1 1 46 46 THR CA C 13 61.695 0.300 . 1 . . . . . 46 THR CA . 11498 1 205 . 1 1 46 46 THR CB C 13 69.938 0.300 . 1 . . . . . 46 THR CB . 11498 1 206 . 1 1 46 46 THR N N 15 118.111 0.300 . 1 . . . . . 46 THR N . 11498 1 207 . 1 1 47 47 TYR H H 1 8.282 0.030 . 1 . . . . . 47 TYR H . 11498 1 208 . 1 1 47 47 TYR C C 13 174.659 0.300 . 1 . . . . . 47 TYR C . 11498 1 209 . 1 1 47 47 TYR CA C 13 57.831 0.300 . 1 . . . . . 47 TYR CA . 11498 1 210 . 1 1 47 47 TYR CB C 13 38.830 0.300 . 1 . . . . . 47 TYR CB . 11498 1 211 . 1 1 47 47 TYR N N 15 122.980 0.300 . 1 . . . . . 47 TYR N . 11498 1 212 . 1 1 48 48 GLU H H 1 8.469 0.030 . 1 . . . . . 48 GLU H . 11498 1 213 . 1 1 48 48 GLU C C 13 175.642 0.300 . 1 . . . . . 48 GLU C . 11498 1 214 . 1 1 48 48 GLU CA C 13 56.914 0.300 . 1 . . . . . 48 GLU CA . 11498 1 215 . 1 1 48 48 GLU CB C 13 30.112 0.300 . 1 . . . . . 48 GLU CB . 11498 1 216 . 1 1 48 48 GLU N N 15 123.488 0.300 . 1 . . . . . 48 GLU N . 11498 1 217 . 1 1 49 49 GLY H H 1 8.058 0.030 . 1 . . . . . 49 GLY H . 11498 1 218 . 1 1 49 49 GLY C C 13 172.870 0.300 . 1 . . . . . 49 GLY C . 11498 1 219 . 1 1 49 49 GLY CA C 13 45.191 0.300 . 1 . . . . . 49 GLY CA . 11498 1 220 . 1 1 49 49 GLY N N 15 109.948 0.300 . 1 . . . . . 49 GLY N . 11498 1 221 . 1 1 50 50 SER H H 1 8.119 0.030 . 1 . . . . . 50 SER H . 11498 1 222 . 1 1 50 50 SER C C 13 172.983 0.300 . 1 . . . . . 50 SER C . 11498 1 223 . 1 1 50 50 SER CA C 13 58.322 0.300 . 1 . . . . . 50 SER CA . 11498 1 224 . 1 1 50 50 SER CB C 13 64.167 0.300 . 1 . . . . . 50 SER CB . 11498 1 225 . 1 1 50 50 SER N N 15 115.318 0.300 . 1 . . . . . 50 SER N . 11498 1 226 . 1 1 51 51 LEU H H 1 8.239 0.030 . 1 . . . . . 51 LEU H . 11498 1 227 . 1 1 51 51 LEU C C 13 173.604 0.300 . 1 . . . . . 51 LEU C . 11498 1 228 . 1 1 51 51 LEU CA C 13 53.116 0.300 . 1 . . . . . 51 LEU CA . 11498 1 229 . 1 1 51 51 LEU CB C 13 41.868 0.300 . 1 . . . . . 51 LEU CB . 11498 1 230 . 1 1 51 51 LEU N N 15 125.060 0.300 . 1 . . . . . 51 LEU N . 11498 1 231 . 1 1 53 53 PRO C C 13 175.544 0.300 . 1 . . . . . 53 PRO C . 11498 1 232 . 1 1 53 53 PRO CA C 13 63.005 0.300 . 1 . . . . . 53 PRO CA . 11498 1 233 . 1 1 53 53 PRO CB C 13 31.781 0.300 . 1 . . . . . 53 PRO CB . 11498 1 234 . 1 1 54 54 ALA H H 1 8.379 0.030 . 1 . . . . . 54 ALA H . 11498 1 235 . 1 1 54 54 ALA C C 13 176.558 0.300 . 1 . . . . . 54 ALA C . 11498 1 236 . 1 1 54 54 ALA CA C 13 52.231 0.300 . 1 . . . . . 54 ALA CA . 11498 1 237 . 1 1 54 54 ALA CB C 13 19.183 0.300 . 1 . . . . . 54 ALA CB . 11498 1 238 . 1 1 54 54 ALA N N 15 124.347 0.300 . 1 . . . . . 54 ALA N . 11498 1 239 . 1 1 55 55 SER H H 1 8.265 0.030 . 1 . . . . . 55 SER H . 11498 1 240 . 1 1 55 55 SER C C 13 171.899 0.300 . 1 . . . . . 55 SER C . 11498 1 241 . 1 1 55 55 SER CA C 13 56.259 0.300 . 1 . . . . . 55 SER CA . 11498 1 242 . 1 1 55 55 SER CB C 13 63.644 0.300 . 1 . . . . . 55 SER CB . 11498 1 243 . 1 1 55 55 SER N N 15 116.407 0.300 . 1 . . . . . 55 SER N . 11498 1 244 . 1 1 56 56 PRO C C 13 175.993 0.300 . 1 . . . . . 56 PRO C . 11498 1 245 . 1 1 56 56 PRO CA C 13 63.660 0.300 . 1 . . . . . 56 PRO CA . 11498 1 246 . 1 1 56 56 PRO CB C 13 32.109 0.300 . 1 . . . . . 56 PRO CB . 11498 1 247 . 1 1 57 57 LEU H H 1 8.385 0.030 . 1 . . . . . 57 LEU H . 11498 1 248 . 1 1 57 57 LEU C C 13 176.389 0.300 . 1 . . . . . 57 LEU C . 11498 1 249 . 1 1 57 57 LEU CA C 13 55.474 0.300 . 1 . . . . . 57 LEU CA . 11498 1 250 . 1 1 57 57 LEU CB C 13 42.014 0.300 . 1 . . . . . 57 LEU CB . 11498 1 251 . 1 1 57 57 LEU N N 15 120.551 0.300 . 1 . . . . . 57 LEU N . 11498 1 252 . 1 1 58 58 GLN H H 1 8.213 0.030 . 1 . . . . . 58 GLN H . 11498 1 253 . 1 1 58 58 GLN C C 13 174.443 0.300 . 1 . . . . . 58 GLN C . 11498 1 254 . 1 1 58 58 GLN CA C 13 55.539 0.300 . 1 . . . . . 58 GLN CA . 11498 1 255 . 1 1 58 58 GLN CB C 13 29.662 0.300 . 1 . . . . . 58 GLN CB . 11498 1 256 . 1 1 58 58 GLN N N 15 120.524 0.300 . 1 . . . . . 58 GLN N . 11498 1 257 . 1 1 59 59 ASP H H 1 8.339 0.030 . 1 . . . . . 59 ASP H . 11498 1 258 . 1 1 59 59 ASP C C 13 174.522 0.300 . 1 . . . . . 59 ASP C . 11498 1 259 . 1 1 59 59 ASP CA C 13 54.426 0.300 . 1 . . . . . 59 ASP CA . 11498 1 260 . 1 1 59 59 ASP CB C 13 41.204 0.300 . 1 . . . . . 59 ASP CB . 11498 1 261 . 1 1 59 59 ASP N N 15 121.702 0.300 . 1 . . . . . 59 ASP N . 11498 1 262 . 1 1 60 60 ASN H H 1 8.488 0.030 . 1 . . . . . 60 ASN H . 11498 1 263 . 1 1 60 60 ASN C C 13 172.517 0.300 . 1 . . . . . 60 ASN C . 11498 1 264 . 1 1 60 60 ASN CA C 13 52.592 0.300 . 1 . . . . . 60 ASN CA . 11498 1 265 . 1 1 60 60 ASN CB C 13 37.971 0.300 . 1 . . . . . 60 ASN CB . 11498 1 266 . 1 1 60 60 ASN N N 15 119.899 0.300 . 1 . . . . . 60 ASN N . 11498 1 267 . 1 1 61 61 LEU H H 1 7.918 0.030 . 1 . . . . . 61 LEU H . 11498 1 268 . 1 1 61 61 LEU C C 13 176.688 0.300 . 1 . . . . . 61 LEU C . 11498 1 269 . 1 1 61 61 LEU CA C 13 54.197 0.300 . 1 . . . . . 61 LEU CA . 11498 1 270 . 1 1 61 61 LEU CB C 13 43.701 0.300 . 1 . . . . . 61 LEU CB . 11498 1 271 . 1 1 61 61 LEU N N 15 121.511 0.300 . 1 . . . . . 61 LEU N . 11498 1 272 . 1 1 62 62 VAL H H 1 9.056 0.030 . 1 . . . . . 62 VAL H . 11498 1 273 . 1 1 62 62 VAL C C 13 172.421 0.300 . 1 . . . . . 62 VAL C . 11498 1 274 . 1 1 62 62 VAL CA C 13 58.781 0.300 . 1 . . . . . 62 VAL CA . 11498 1 275 . 1 1 62 62 VAL CB C 13 36.333 0.300 . 1 . . . . . 62 VAL CB . 11498 1 276 . 1 1 62 62 VAL N N 15 116.236 0.300 . 1 . . . . . 62 VAL N . 11498 1 277 . 1 1 63 63 ILE H H 1 8.949 0.030 . 1 . . . . . 63 ILE H . 11498 1 278 . 1 1 63 63 ILE C C 13 174.503 0.300 . 1 . . . . . 63 ILE C . 11498 1 279 . 1 1 63 63 ILE CA C 13 58.355 0.300 . 1 . . . . . 63 ILE CA . 11498 1 280 . 1 1 63 63 ILE CB C 13 41.245 0.300 . 1 . . . . . 63 ILE CB . 11498 1 281 . 1 1 63 63 ILE N N 15 118.468 0.300 . 1 . . . . . 63 ILE N . 11498 1 282 . 1 1 64 64 ALA H H 1 8.554 0.030 . 1 . . . . . 64 ALA H . 11498 1 283 . 1 1 64 64 ALA C C 13 178.213 0.300 . 1 . . . . . 64 ALA C . 11498 1 284 . 1 1 64 64 ALA CA C 13 52.559 0.300 . 1 . . . . . 64 ALA CA . 11498 1 285 . 1 1 64 64 ALA CB C 13 20.943 0.300 . 1 . . . . . 64 ALA CB . 11498 1 286 . 1 1 64 64 ALA N N 15 126.361 0.300 . 1 . . . . . 64 ALA N . 11498 1 287 . 1 1 65 65 LEU H H 1 9.477 0.030 . 1 . . . . . 65 LEU H . 11498 1 288 . 1 1 65 65 LEU C C 13 174.286 0.300 . 1 . . . . . 65 LEU C . 11498 1 289 . 1 1 65 65 LEU CA C 13 55.539 0.300 . 1 . . . . . 65 LEU CA . 11498 1 290 . 1 1 65 65 LEU CB C 13 43.210 0.300 . 1 . . . . . 65 LEU CB . 11498 1 291 . 1 1 65 65 LEU N N 15 127.012 0.300 . 1 . . . . . 65 LEU N . 11498 1 292 . 1 1 66 66 HIS H H 1 7.450 0.030 . 1 . . . . . 66 HIS H . 11498 1 293 . 1 1 66 66 HIS C C 13 172.153 0.300 . 1 . . . . . 66 HIS C . 11498 1 294 . 1 1 66 66 HIS CA C 13 53.378 0.300 . 1 . . . . . 66 HIS CA . 11498 1 295 . 1 1 66 66 HIS CB C 13 34.205 0.300 . 1 . . . . . 66 HIS CB . 11498 1 296 . 1 1 66 66 HIS N N 15 112.776 0.300 . 1 . . . . . 66 HIS N . 11498 1 297 . 1 1 67 67 SER H H 1 8.787 0.030 . 1 . . . . . 67 SER H . 11498 1 298 . 1 1 67 67 SER C C 13 172.047 0.300 . 1 . . . . . 67 SER C . 11498 1 299 . 1 1 67 67 SER CA C 13 58.650 0.300 . 1 . . . . . 67 SER CA . 11498 1 300 . 1 1 67 67 SER CB C 13 64.004 0.300 . 1 . . . . . 67 SER CB . 11498 1 301 . 1 1 67 67 SER N N 15 116.005 0.300 . 1 . . . . . 67 SER N . 11498 1 302 . 1 1 68 68 TYR H H 1 8.466 0.030 . 1 . . . . . 68 TYR H . 11498 1 303 . 1 1 68 68 TYR C C 13 172.469 0.300 . 1 . . . . . 68 TYR C . 11498 1 304 . 1 1 68 68 TYR CA C 13 57.340 0.300 . 1 . . . . . 68 TYR CA . 11498 1 305 . 1 1 68 68 TYR CB C 13 42.145 0.300 . 1 . . . . . 68 TYR CB . 11498 1 306 . 1 1 68 68 TYR N N 15 123.059 0.300 . 1 . . . . . 68 TYR N . 11498 1 307 . 1 1 69 69 GLU H H 1 7.635 0.030 . 1 . . . . . 69 GLU H . 11498 1 308 . 1 1 69 69 GLU C C 13 171.538 0.300 . 1 . . . . . 69 GLU C . 11498 1 309 . 1 1 69 69 GLU CA C 13 51.937 0.300 . 1 . . . . . 69 GLU CA . 11498 1 310 . 1 1 69 69 GLU CB C 13 30.161 0.300 . 1 . . . . . 69 GLU CB . 11498 1 311 . 1 1 69 69 GLU N N 15 129.313 0.300 . 1 . . . . . 69 GLU N . 11498 1 312 . 1 1 70 70 PRO C C 13 175.764 0.300 . 1 . . . . . 70 PRO C . 11498 1 313 . 1 1 70 70 PRO CA C 13 63.332 0.300 . 1 . . . . . 70 PRO CA . 11498 1 314 . 1 1 70 70 PRO CB C 13 32.927 0.300 . 1 . . . . . 70 PRO CB . 11498 1 315 . 1 1 71 71 SER H H 1 8.574 0.030 . 1 . . . . . 71 SER H . 11498 1 316 . 1 1 71 71 SER C C 13 172.111 0.300 . 1 . . . . . 71 SER C . 11498 1 317 . 1 1 71 71 SER CA C 13 58.584 0.300 . 1 . . . . . 71 SER CA . 11498 1 318 . 1 1 71 71 SER CB C 13 64.658 0.300 . 1 . . . . . 71 SER CB . 11498 1 319 . 1 1 71 71 SER N N 15 116.261 0.300 . 1 . . . . . 71 SER N . 11498 1 320 . 1 1 72 72 HIS H H 1 7.739 0.030 . 1 . . . . . 72 HIS H . 11498 1 321 . 1 1 72 72 HIS C C 13 173.542 0.300 . 1 . . . . . 72 HIS C . 11498 1 322 . 1 1 72 72 HIS CA C 13 54.000 0.300 . 1 . . . . . 72 HIS CA . 11498 1 323 . 1 1 72 72 HIS CB C 13 30.603 0.300 . 1 . . . . . 72 HIS CB . 11498 1 324 . 1 1 72 72 HIS N N 15 119.166 0.300 . 1 . . . . . 72 HIS N . 11498 1 325 . 1 1 73 73 ASP H H 1 8.723 0.030 . 1 . . . . . 73 ASP H . 11498 1 326 . 1 1 73 73 ASP C C 13 176.198 0.300 . 1 . . . . . 73 ASP C . 11498 1 327 . 1 1 73 73 ASP CA C 13 56.325 0.300 . 1 . . . . . 73 ASP CA . 11498 1 328 . 1 1 73 73 ASP CB C 13 40.427 0.300 . 1 . . . . . 73 ASP CB . 11498 1 329 . 1 1 73 73 ASP N N 15 124.094 0.300 . 1 . . . . . 73 ASP N . 11498 1 330 . 1 1 74 74 GLY H H 1 8.983 0.030 . 1 . . . . . 74 GLY H . 11498 1 331 . 1 1 74 74 GLY C C 13 174.052 0.300 . 1 . . . . . 74 GLY C . 11498 1 332 . 1 1 74 74 GLY CA C 13 45.191 0.300 . 1 . . . . . 74 GLY CA . 11498 1 333 . 1 1 74 74 GLY N N 15 113.073 0.300 . 1 . . . . . 74 GLY N . 11498 1 334 . 1 1 75 75 ASP H H 1 7.867 0.030 . 1 . . . . . 75 ASP H . 11498 1 335 . 1 1 75 75 ASP C C 13 174.591 0.300 . 1 . . . . . 75 ASP C . 11498 1 336 . 1 1 75 75 ASP CA C 13 54.425 0.300 . 1 . . . . . 75 ASP CA . 11498 1 337 . 1 1 75 75 ASP CB C 13 42.801 0.300 . 1 . . . . . 75 ASP CB . 11498 1 338 . 1 1 75 75 ASP N N 15 121.735 0.300 . 1 . . . . . 75 ASP N . 11498 1 339 . 1 1 76 76 LEU H H 1 9.114 0.030 . 1 . . . . . 76 LEU H . 11498 1 340 . 1 1 76 76 LEU C C 13 173.409 0.300 . 1 . . . . . 76 LEU C . 11498 1 341 . 1 1 76 76 LEU CA C 13 54.000 0.300 . 1 . . . . . 76 LEU CA . 11498 1 342 . 1 1 76 76 LEU CB C 13 44.520 0.300 . 1 . . . . . 76 LEU CB . 11498 1 343 . 1 1 76 76 LEU N N 15 125.820 0.300 . 1 . . . . . 76 LEU N . 11498 1 344 . 1 1 77 77 GLY H H 1 8.207 0.030 . 1 . . . . . 77 GLY H . 11498 1 345 . 1 1 77 77 GLY C C 13 172.176 0.300 . 1 . . . . . 77 GLY C . 11498 1 346 . 1 1 77 77 GLY CA C 13 44.569 0.300 . 1 . . . . . 77 GLY CA . 11498 1 347 . 1 1 77 77 GLY N N 15 109.582 0.300 . 1 . . . . . 77 GLY N . 11498 1 348 . 1 1 78 78 PHE H H 1 7.879 0.030 . 1 . . . . . 78 PHE H . 11498 1 349 . 1 1 78 78 PHE C C 13 172.935 0.300 . 1 . . . . . 78 PHE C . 11498 1 350 . 1 1 78 78 PHE CA C 13 56.292 0.300 . 1 . . . . . 78 PHE CA . 11498 1 351 . 1 1 78 78 PHE CB C 13 40.099 0.300 . 1 . . . . . 78 PHE CB . 11498 1 352 . 1 1 78 78 PHE N N 15 113.535 0.300 . 1 . . . . . 78 PHE N . 11498 1 353 . 1 1 79 79 GLU H H 1 8.983 0.030 . 1 . . . . . 79 GLU H . 11498 1 354 . 1 1 79 79 GLU C C 13 174.708 0.300 . 1 . . . . . 79 GLU C . 11498 1 355 . 1 1 79 79 GLU CA C 13 53.771 0.300 . 1 . . . . . 79 GLU CA . 11498 1 356 . 1 1 79 79 GLU CB C 13 32.699 0.300 . 1 . . . . . 79 GLU CB . 11498 1 357 . 1 1 79 79 GLU N N 15 119.749 0.300 . 1 . . . . . 79 GLU N . 11498 1 358 . 1 1 80 80 LYS C C 13 176.159 0.300 . 1 . . . . . 80 LYS C . 11498 1 359 . 1 1 80 80 LYS CA C 13 59.075 0.300 . 1 . . . . . 80 LYS CA . 11498 1 360 . 1 1 80 80 LYS CB C 13 32.518 0.300 . 1 . . . . . 80 LYS CB . 11498 1 361 . 1 1 81 81 GLY H H 1 8.838 0.030 . 1 . . . . . 81 GLY H . 11498 1 362 . 1 1 81 81 GLY C C 13 172.183 0.300 . 1 . . . . . 81 GLY C . 11498 1 363 . 1 1 81 81 GLY CA C 13 45.060 0.300 . 1 . . . . . 81 GLY CA . 11498 1 364 . 1 1 81 81 GLY N N 15 115.424 0.300 . 1 . . . . . 81 GLY N . 11498 1 365 . 1 1 82 82 GLU H H 1 8.150 0.030 . 1 . . . . . 82 GLU H . 11498 1 366 . 1 1 82 82 GLU C C 13 174.049 0.300 . 1 . . . . . 82 GLU C . 11498 1 367 . 1 1 82 82 GLU CA C 13 57.864 0.300 . 1 . . . . . 82 GLU CA . 11498 1 368 . 1 1 82 82 GLU CB C 13 31.913 0.300 . 1 . . . . . 82 GLU CB . 11498 1 369 . 1 1 82 82 GLU N N 15 122.829 0.300 . 1 . . . . . 82 GLU N . 11498 1 370 . 1 1 83 83 GLN H H 1 8.453 0.030 . 1 . . . . . 83 GLN H . 11498 1 371 . 1 1 83 83 GLN C C 13 174.156 0.300 . 1 . . . . . 83 GLN C . 11498 1 372 . 1 1 83 83 GLN CA C 13 55.047 0.300 . 1 . . . . . 83 GLN CA . 11498 1 373 . 1 1 83 83 GLN CB C 13 30.603 0.300 . 1 . . . . . 83 GLN CB . 11498 1 374 . 1 1 83 83 GLN N N 15 121.945 0.300 . 1 . . . . . 83 GLN N . 11498 1 375 . 1 1 84 84 LEU H H 1 8.764 0.030 . 1 . . . . . 84 LEU H . 11498 1 376 . 1 1 84 84 LEU C C 13 173.384 0.300 . 1 . . . . . 84 LEU C . 11498 1 377 . 1 1 84 84 LEU CA C 13 53.410 0.300 . 1 . . . . . 84 LEU CA . 11498 1 378 . 1 1 84 84 LEU CB C 13 45.993 0.300 . 1 . . . . . 84 LEU CB . 11498 1 379 . 1 1 84 84 LEU N N 15 122.512 0.300 . 1 . . . . . 84 LEU N . 11498 1 380 . 1 1 85 85 ARG H H 1 8.722 0.030 . 1 . . . . . 85 ARG H . 11498 1 381 . 1 1 85 85 ARG C C 13 174.707 0.300 . 1 . . . . . 85 ARG C . 11498 1 382 . 1 1 85 85 ARG CA C 13 54.032 0.300 . 1 . . . . . 85 ARG CA . 11498 1 383 . 1 1 85 85 ARG CB C 13 32.608 0.300 . 1 . . . . . 85 ARG CB . 11498 1 384 . 1 1 85 85 ARG N N 15 120.183 0.300 . 1 . . . . . 85 ARG N . 11498 1 385 . 1 1 86 86 ILE H H 1 8.976 0.030 . 1 . . . . . 86 ILE H . 11498 1 386 . 1 1 86 86 ILE C C 13 174.613 0.300 . 1 . . . . . 86 ILE C . 11498 1 387 . 1 1 86 86 ILE CA C 13 58.846 0.300 . 1 . . . . . 86 ILE CA . 11498 1 388 . 1 1 86 86 ILE CB C 13 35.351 0.300 . 1 . . . . . 86 ILE CB . 11498 1 389 . 1 1 86 86 ILE N N 15 124.840 0.300 . 1 . . . . . 86 ILE N . 11498 1 390 . 1 1 87 87 LEU H H 1 9.239 0.030 . 1 . . . . . 87 LEU H . 11498 1 391 . 1 1 87 87 LEU C C 13 176.144 0.300 . 1 . . . . . 87 LEU C . 11498 1 392 . 1 1 87 87 LEU CA C 13 55.539 0.300 . 1 . . . . . 87 LEU CA . 11498 1 393 . 1 1 87 87 LEU CB C 13 42.923 0.300 . 1 . . . . . 87 LEU CB . 11498 1 394 . 1 1 87 87 LEU N N 15 128.585 0.300 . 1 . . . . . 87 LEU N . 11498 1 395 . 1 1 88 88 GLU H H 1 7.680 0.030 . 1 . . . . . 88 GLU H . 11498 1 396 . 1 1 88 88 GLU C C 13 173.012 0.300 . 1 . . . . . 88 GLU C . 11498 1 397 . 1 1 88 88 GLU CA C 13 56.325 0.300 . 1 . . . . . 88 GLU CA . 11498 1 398 . 1 1 88 88 GLU CB C 13 33.468 0.300 . 1 . . . . . 88 GLU CB . 11498 1 399 . 1 1 88 88 GLU N N 15 117.769 0.300 . 1 . . . . . 88 GLU N . 11498 1 400 . 1 1 89 89 GLN H H 1 8.603 0.030 . 1 . . . . . 89 GLN H . 11498 1 401 . 1 1 89 89 GLN C C 13 173.296 0.300 . 1 . . . . . 89 GLN C . 11498 1 402 . 1 1 89 89 GLN CA C 13 53.509 0.300 . 1 . . . . . 89 GLN CA . 11498 1 403 . 1 1 89 89 GLN CB C 13 28.720 0.300 . 1 . . . . . 89 GLN CB . 11498 1 404 . 1 1 89 89 GLN N N 15 125.021 0.300 . 1 . . . . . 89 GLN N . 11498 1 405 . 1 1 90 90 SER H H 1 8.203 0.030 . 1 . . . . . 90 SER H . 11498 1 406 . 1 1 90 90 SER C C 13 173.340 0.300 . 1 . . . . . 90 SER C . 11498 1 407 . 1 1 90 90 SER CA C 13 56.980 0.300 . 1 . . . . . 90 SER CA . 11498 1 408 . 1 1 90 90 SER CB C 13 63.921 0.300 . 1 . . . . . 90 SER CB . 11498 1 409 . 1 1 90 90 SER N N 15 118.117 0.300 . 1 . . . . . 90 SER N . 11498 1 410 . 1 1 91 91 GLY H H 1 8.515 0.030 . 1 . . . . . 91 GLY H . 11498 1 411 . 1 1 91 91 GLY C C 13 173.005 0.300 . 1 . . . . . 91 GLY C . 11498 1 412 . 1 1 91 91 GLY CA C 13 46.043 0.300 . 1 . . . . . 91 GLY CA . 11498 1 413 . 1 1 91 91 GLY N N 15 112.131 0.300 . 1 . . . . . 91 GLY N . 11498 1 414 . 1 1 92 92 GLU H H 1 8.686 0.030 . 1 . . . . . 92 GLU H . 11498 1 415 . 1 1 92 92 GLU C C 13 174.036 0.300 . 1 . . . . . 92 GLU C . 11498 1 416 . 1 1 92 92 GLU CA C 13 56.849 0.300 . 1 . . . . . 92 GLU CA . 11498 1 417 . 1 1 92 92 GLU CB C 13 30.358 0.300 . 1 . . . . . 92 GLU CB . 11498 1 418 . 1 1 92 92 GLU N N 15 120.585 0.300 . 1 . . . . . 92 GLU N . 11498 1 419 . 1 1 93 93 TRP H H 1 7.739 0.030 . 1 . . . . . 93 TRP H . 11498 1 420 . 1 1 93 93 TRP C C 13 174.625 0.300 . 1 . . . . . 93 TRP C . 11498 1 421 . 1 1 93 93 TRP CA C 13 55.539 0.300 . 1 . . . . . 93 TRP CA . 11498 1 422 . 1 1 93 93 TRP CB C 13 29.703 0.300 . 1 . . . . . 93 TRP CB . 11498 1 423 . 1 1 93 93 TRP N N 15 120.532 0.300 . 1 . . . . . 93 TRP N . 11498 1 424 . 1 1 94 94 TRP H H 1 8.962 0.030 . 1 . . . . . 94 TRP H . 11498 1 425 . 1 1 94 94 TRP C C 13 174.655 0.300 . 1 . . . . . 94 TRP C . 11498 1 426 . 1 1 94 94 TRP CA C 13 54.000 0.300 . 1 . . . . . 94 TRP CA . 11498 1 427 . 1 1 94 94 TRP CB C 13 30.767 0.300 . 1 . . . . . 94 TRP CB . 11498 1 428 . 1 1 94 94 TRP N N 15 126.032 0.300 . 1 . . . . . 94 TRP N . 11498 1 429 . 1 1 95 95 LYS H H 1 8.683 0.030 . 1 . . . . . 95 LYS H . 11498 1 430 . 1 1 95 95 LYS C C 13 173.892 0.300 . 1 . . . . . 95 LYS C . 11498 1 431 . 1 1 95 95 LYS CA C 13 56.260 0.300 . 1 . . . . . 95 LYS CA . 11498 1 432 . 1 1 95 95 LYS CB C 13 33.837 0.300 . 1 . . . . . 95 LYS CB . 11498 1 433 . 1 1 95 95 LYS N N 15 123.669 0.300 . 1 . . . . . 95 LYS N . 11498 1 434 . 1 1 96 96 ALA H H 1 9.420 0.030 . 1 . . . . . 96 ALA H . 11498 1 435 . 1 1 96 96 ALA C C 13 172.840 0.300 . 1 . . . . . 96 ALA C . 11498 1 436 . 1 1 96 96 ALA CA C 13 50.398 0.300 . 1 . . . . . 96 ALA CA . 11498 1 437 . 1 1 96 96 ALA CB C 13 25.650 0.300 . 1 . . . . . 96 ALA CB . 11498 1 438 . 1 1 96 96 ALA N N 15 131.383 0.300 . 1 . . . . . 96 ALA N . 11498 1 439 . 1 1 97 97 GLN H H 1 8.976 0.030 . 1 . . . . . 97 GLN H . 11498 1 440 . 1 1 97 97 GLN C C 13 174.510 0.300 . 1 . . . . . 97 GLN C . 11498 1 441 . 1 1 97 97 GLN CA C 13 53.279 0.300 . 1 . . . . . 97 GLN CA . 11498 1 442 . 1 1 97 97 GLN CB C 13 33.796 0.300 . 1 . . . . . 97 GLN CB . 11498 1 443 . 1 1 97 97 GLN N N 15 117.511 0.300 . 1 . . . . . 97 GLN N . 11498 1 444 . 1 1 98 98 SER H H 1 8.757 0.030 . 1 . . . . . 98 SER H . 11498 1 445 . 1 1 98 98 SER C C 13 176.710 0.300 . 1 . . . . . 98 SER C . 11498 1 446 . 1 1 98 98 SER CA C 13 57.799 0.300 . 1 . . . . . 98 SER CA . 11498 1 447 . 1 1 98 98 SER CB C 13 63.512 0.300 . 1 . . . . . 98 SER CB . 11498 1 448 . 1 1 98 98 SER N N 15 119.104 0.300 . 1 . . . . . 98 SER N . 11498 1 449 . 1 1 99 99 LEU H H 1 8.892 0.030 . 1 . . . . . 99 LEU H . 11498 1 450 . 1 1 99 99 LEU C C 13 177.067 0.300 . 1 . . . . . 99 LEU C . 11498 1 451 . 1 1 99 99 LEU CA C 13 57.307 0.300 . 1 . . . . . 99 LEU CA . 11498 1 452 . 1 1 99 99 LEU CB C 13 41.040 0.300 . 1 . . . . . 99 LEU CB . 11498 1 453 . 1 1 99 99 LEU N N 15 130.901 0.300 . 1 . . . . . 99 LEU N . 11498 1 454 . 1 1 100 100 THR H H 1 8.483 0.030 . 1 . . . . . 100 THR H . 11498 1 455 . 1 1 100 100 THR C C 13 175.472 0.300 . 1 . . . . . 100 THR C . 11498 1 456 . 1 1 100 100 THR CA C 13 64.740 0.300 . 1 . . . . . 100 THR CA . 11498 1 457 . 1 1 100 100 THR CB C 13 69.284 0.300 . 1 . . . . . 100 THR CB . 11498 1 458 . 1 1 100 100 THR N N 15 113.901 0.300 . 1 . . . . . 100 THR N . 11498 1 459 . 1 1 101 101 THR H H 1 8.147 0.030 . 1 . . . . . 101 THR H . 11498 1 460 . 1 1 101 101 THR C C 13 175.684 0.300 . 1 . . . . . 101 THR C . 11498 1 461 . 1 1 101 101 THR CA C 13 61.597 0.300 . 1 . . . . . 101 THR CA . 11498 1 462 . 1 1 101 101 THR CB C 13 71.166 0.300 . 1 . . . . . 101 THR CB . 11498 1 463 . 1 1 101 101 THR N N 15 108.517 0.300 . 1 . . . . . 101 THR N . 11498 1 464 . 1 1 102 102 GLY H H 1 7.640 0.030 . 1 . . . . . 102 GLY H . 11498 1 465 . 1 1 102 102 GLY C C 13 172.786 0.300 . 1 . . . . . 102 GLY C . 11498 1 466 . 1 1 102 102 GLY CA C 13 45.683 0.300 . 1 . . . . . 102 GLY CA . 11498 1 467 . 1 1 102 102 GLY N N 15 110.409 0.300 . 1 . . . . . 102 GLY N . 11498 1 468 . 1 1 103 103 GLN H H 1 7.936 0.030 . 1 . . . . . 103 GLN H . 11498 1 469 . 1 1 103 103 GLN C C 13 173.058 0.300 . 1 . . . . . 103 GLN C . 11498 1 470 . 1 1 103 103 GLN CA C 13 56.456 0.300 . 1 . . . . . 103 GLN CA . 11498 1 471 . 1 1 103 103 GLN CB C 13 29.334 0.300 . 1 . . . . . 103 GLN CB . 11498 1 472 . 1 1 103 103 GLN N N 15 120.925 0.300 . 1 . . . . . 103 GLN N . 11498 1 473 . 1 1 104 104 GLU H H 1 8.562 0.030 . 1 . . . . . 104 GLU H . 11498 1 474 . 1 1 104 104 GLU C C 13 175.674 0.300 . 1 . . . . . 104 GLU C . 11498 1 475 . 1 1 104 104 GLU CA C 13 53.771 0.300 . 1 . . . . . 104 GLU CA . 11498 1 476 . 1 1 104 104 GLU CB C 13 34.123 0.300 . 1 . . . . . 104 GLU CB . 11498 1 477 . 1 1 104 104 GLU N N 15 119.830 0.300 . 1 . . . . . 104 GLU N . 11498 1 478 . 1 1 105 105 GLY H H 1 8.729 0.030 . 1 . . . . . 105 GLY H . 11498 1 479 . 1 1 105 105 GLY C C 13 170.005 0.300 . 1 . . . . . 105 GLY C . 11498 1 480 . 1 1 105 105 GLY CA C 13 45.584 0.300 . 1 . . . . . 105 GLY CA . 11498 1 481 . 1 1 105 105 GLY N N 15 107.423 0.300 . 1 . . . . . 105 GLY N . 11498 1 482 . 1 1 106 106 PHE H H 1 8.740 0.030 . 1 . . . . . 106 PHE H . 11498 1 483 . 1 1 106 106 PHE C C 13 175.589 0.300 . 1 . . . . . 106 PHE C . 11498 1 484 . 1 1 106 106 PHE CA C 13 58.977 0.300 . 1 . . . . . 106 PHE CA . 11498 1 485 . 1 1 106 106 PHE CB C 13 41.532 0.300 . 1 . . . . . 106 PHE CB . 11498 1 486 . 1 1 106 106 PHE N N 15 119.244 0.300 . 1 . . . . . 106 PHE N . 11498 1 487 . 1 1 107 107 ILE H H 1 9.589 0.030 . 1 . . . . . 107 ILE H . 11498 1 488 . 1 1 107 107 ILE C C 13 171.250 0.300 . 1 . . . . . 107 ILE C . 11498 1 489 . 1 1 107 107 ILE CA C 13 57.373 0.300 . 1 . . . . . 107 ILE CA . 11498 1 490 . 1 1 107 107 ILE CB C 13 40.967 0.300 . 1 . . . . . 107 ILE CB . 11498 1 491 . 1 1 107 107 ILE N N 15 112.952 0.300 . 1 . . . . . 107 ILE N . 11498 1 492 . 1 1 108 108 PRO C C 13 178.522 0.300 . 1 . . . . . 108 PRO C . 11498 1 493 . 1 1 108 108 PRO CA C 13 61.237 0.300 . 1 . . . . . 108 PRO CA . 11498 1 494 . 1 1 108 108 PRO CB C 13 30.062 0.300 . 1 . . . . . 108 PRO CB . 11498 1 495 . 1 1 109 109 PHE H H 1 7.621 0.030 . 1 . . . . . 109 PHE H . 11498 1 496 . 1 1 109 109 PHE C C 13 172.647 0.300 . 1 . . . . . 109 PHE C . 11498 1 497 . 1 1 109 109 PHE CA C 13 59.534 0.300 . 1 . . . . . 109 PHE CA . 11498 1 498 . 1 1 109 109 PHE CB C 13 35.147 0.300 . 1 . . . . . 109 PHE CB . 11498 1 499 . 1 1 109 109 PHE N N 15 123.613 0.300 . 1 . . . . . 109 PHE N . 11498 1 500 . 1 1 110 110 ASN H H 1 7.347 0.030 . 1 . . . . . 110 ASN H . 11498 1 501 . 1 1 110 110 ASN C C 13 174.495 0.300 . 1 . . . . . 110 ASN C . 11498 1 502 . 1 1 110 110 ASN CA C 13 52.231 0.300 . 1 . . . . . 110 ASN CA . 11498 1 503 . 1 1 110 110 ASN CB C 13 35.228 0.300 . 1 . . . . . 110 ASN CB . 11498 1 504 . 1 1 110 110 ASN N N 15 113.688 0.300 . 1 . . . . . 110 ASN N . 11498 1 505 . 1 1 111 111 PHE H H 1 7.650 0.030 . 1 . . . . . 111 PHE H . 11498 1 506 . 1 1 111 111 PHE C C 13 173.493 0.300 . 1 . . . . . 111 PHE C . 11498 1 507 . 1 1 111 111 PHE CA C 13 58.191 0.300 . 1 . . . . . 111 PHE CA . 11498 1 508 . 1 1 111 111 PHE CB C 13 39.403 0.300 . 1 . . . . . 111 PHE CB . 11498 1 509 . 1 1 111 111 PHE N N 15 119.997 0.300 . 1 . . . . . 111 PHE N . 11498 1 510 . 1 1 112 112 VAL H H 1 7.007 0.030 . 1 . . . . . 112 VAL H . 11498 1 511 . 1 1 112 112 VAL C C 13 172.591 0.300 . 1 . . . . . 112 VAL C . 11498 1 512 . 1 1 112 112 VAL CA C 13 58.486 0.300 . 1 . . . . . 112 VAL CA . 11498 1 513 . 1 1 112 112 VAL CB C 13 35.719 0.300 . 1 . . . . . 112 VAL CB . 11498 1 514 . 1 1 112 112 VAL N N 15 108.813 0.300 . 1 . . . . . 112 VAL N . 11498 1 515 . 1 1 113 113 ALA H H 1 8.584 0.030 . 1 . . . . . 113 ALA H . 11498 1 516 . 1 1 113 113 ALA C C 13 175.151 0.300 . 1 . . . . . 113 ALA C . 11498 1 517 . 1 1 113 113 ALA CA C 13 50.824 0.300 . 1 . . . . . 113 ALA CA . 11498 1 518 . 1 1 113 113 ALA CB C 13 22.989 0.300 . 1 . . . . . 113 ALA CB . 11498 1 519 . 1 1 113 113 ALA N N 15 121.636 0.300 . 1 . . . . . 113 ALA N . 11498 1 520 . 1 1 114 114 LYS H H 1 8.658 0.030 . 1 . . . . . 114 LYS H . 11498 1 521 . 1 1 114 114 LYS C C 13 175.428 0.300 . 1 . . . . . 114 LYS C . 11498 1 522 . 1 1 114 114 LYS CA C 13 57.373 0.300 . 1 . . . . . 114 LYS CA . 11498 1 523 . 1 1 114 114 LYS CB C 13 32.772 0.300 . 1 . . . . . 114 LYS CB . 11498 1 524 . 1 1 114 114 LYS N N 15 120.616 0.300 . 1 . . . . . 114 LYS N . 11498 1 525 . 1 1 115 115 ALA H H 1 8.404 0.030 . 1 . . . . . 115 ALA H . 11498 1 526 . 1 1 115 115 ALA C C 13 176.046 0.300 . 1 . . . . . 115 ALA C . 11498 1 527 . 1 1 115 115 ALA CA C 13 52.591 0.300 . 1 . . . . . 115 ALA CA . 11498 1 528 . 1 1 115 115 ALA CB C 13 19.346 0.300 . 1 . . . . . 115 ALA CB . 11498 1 529 . 1 1 115 115 ALA N N 15 126.258 0.300 . 1 . . . . . 115 ALA N . 11498 1 530 . 1 1 116 116 ASN H H 1 8.498 0.030 . 1 . . . . . 116 ASN H . 11498 1 531 . 1 1 116 116 ASN C C 13 173.197 0.300 . 1 . . . . . 116 ASN C . 11498 1 532 . 1 1 116 116 ASN CA C 13 53.279 0.300 . 1 . . . . . 116 ASN CA . 11498 1 533 . 1 1 116 116 ASN CB C 13 38.994 0.300 . 1 . . . . . 116 ASN CB . 11498 1 534 . 1 1 116 116 ASN N N 15 118.119 0.300 . 1 . . . . . 116 ASN N . 11498 1 535 . 1 1 117 117 SER H H 1 7.892 0.030 . 1 . . . . . 117 SER H . 11498 1 536 . 1 1 117 117 SER C C 13 177.590 0.300 . 1 . . . . . 117 SER C . 11498 1 537 . 1 1 117 117 SER CA C 13 60.254 0.300 . 1 . . . . . 117 SER CA . 11498 1 538 . 1 1 117 117 SER CB C 13 64.708 0.300 . 1 . . . . . 117 SER CB . 11498 1 539 . 1 1 117 117 SER N N 15 121.161 0.300 . 1 . . . . . 117 SER N . 11498 1 stop_ save_