data_19466 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19466 _Entry.Title ; PICK1 PDZ with 10 C-terminal ASIC1a residues ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-29 _Entry.Accession_date 2013-08-29 _Entry.Last_release_date 2013-08-29 _Entry.Original_release_date 2013-08-29 _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 _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 'Dual chemical shifts observed when conjugating the 10 C-terminal residues of ASIC1a with PICK1 PDZ' _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 Simon Erlendsson . . . . 19466 2 Kaare Teilum . . . . 19466 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19466 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 19466 '15N chemical shifts' 126 19466 '1H chemical shifts' 137 19466 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 . . 2019-12-06 . original BMRB . 19466 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19467 'PKCalpha C-term' 19466 stop_ save_ ############### # Citations # ############### save_PICK1_PDZ_ASIC1a_C-terminal _Citation.Sf_category citations _Citation.Sf_framecode PICK1_PDZ_ASIC1a_C-terminal _Citation.Entry_ID 19466 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25023278 _Citation.Full_citation . _Citation.Title ; Protein interacting with C-kinase 1 (PICK1) binding promiscuity relies on unconventional PSD-95/discs-large/ZO-1 homology (PDZ) binding modes for nonclass II PDZ ligand ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 36 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 25327 _Citation.Page_last 25340 _Citation.Year 2014 _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 Simon Erlendsson . . . . 19466 1 2 Mette Rathje . . . . 19466 1 3 Petur Heidarsson . O. . . 19466 1 4 Flemming Poulsen . M. . . 19466 1 5 Kenneth Madsen . L. . . 19466 1 6 Kaare Teilum . . . . 19466 1 7 Ulrik Gether . . . . 19466 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19466 _Assembly.ID 1 _Assembly.Name 'PICK1 PDZ ASIC1a C-term' _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 'PICK1 PDZ ASIC1a C-terminal' 1 $PICK1_PDZ A . yes native no no . . . 19466 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PICK1_PDZ _Entity.Sf_category entity _Entity.Sf_framecode PICK1_PDZ _Entity.Entry_ID 19466 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PICK1_PDZ _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 ; GSPGIPVPGKVTLQKDAQNL IGISIGGGAQYCPCLYIVQV FDNTPAALDGTVAAGDEITG VNGRSIKGKTKVEVAKMIQE VKGEVTIHYNKLQADPKQLE VLFQGPARGTFEDFTC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 116 _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 . 19466 1 2 . SER . 19466 1 3 . PRO . 19466 1 4 . GLY . 19466 1 5 . ILE . 19466 1 6 . PRO . 19466 1 7 . VAL . 19466 1 8 . PRO . 19466 1 9 . GLY . 19466 1 10 . LYS . 19466 1 11 . VAL . 19466 1 12 . THR . 19466 1 13 . LEU . 19466 1 14 . GLN . 19466 1 15 . LYS . 19466 1 16 . ASP . 19466 1 17 . ALA . 19466 1 18 . GLN . 19466 1 19 . ASN . 19466 1 20 . LEU . 19466 1 21 . ILE . 19466 1 22 . GLY . 19466 1 23 . ILE . 19466 1 24 . SER . 19466 1 25 . ILE . 19466 1 26 . GLY . 19466 1 27 . GLY . 19466 1 28 . GLY . 19466 1 29 . ALA . 19466 1 30 . GLN . 19466 1 31 . TYR . 19466 1 32 . CYS . 19466 1 33 . PRO . 19466 1 34 . CYS . 19466 1 35 . LEU . 19466 1 36 . TYR . 19466 1 37 . ILE . 19466 1 38 . VAL . 19466 1 39 . GLN . 19466 1 40 . VAL . 19466 1 41 . PHE . 19466 1 42 . ASP . 19466 1 43 . ASN . 19466 1 44 . THR . 19466 1 45 . PRO . 19466 1 46 . ALA . 19466 1 47 . ALA . 19466 1 48 . LEU . 19466 1 49 . ASP . 19466 1 50 . GLY . 19466 1 51 . THR . 19466 1 52 . VAL . 19466 1 53 . ALA . 19466 1 54 . ALA . 19466 1 55 . GLY . 19466 1 56 . ASP . 19466 1 57 . GLU . 19466 1 58 . ILE . 19466 1 59 . THR . 19466 1 60 . GLY . 19466 1 61 . VAL . 19466 1 62 . ASN . 19466 1 63 . GLY . 19466 1 64 . ARG . 19466 1 65 . SER . 19466 1 66 . ILE . 19466 1 67 . LYS . 19466 1 68 . GLY . 19466 1 69 . LYS . 19466 1 70 . THR . 19466 1 71 . LYS . 19466 1 72 . VAL . 19466 1 73 . GLU . 19466 1 74 . VAL . 19466 1 75 . ALA . 19466 1 76 . LYS . 19466 1 77 . MET . 19466 1 78 . ILE . 19466 1 79 . GLN . 19466 1 80 . GLU . 19466 1 81 . VAL . 19466 1 82 . LYS . 19466 1 83 . GLY . 19466 1 84 . GLU . 19466 1 85 . VAL . 19466 1 86 . THR . 19466 1 87 . ILE . 19466 1 88 . HIS . 19466 1 89 . TYR . 19466 1 90 . ASN . 19466 1 91 . LYS . 19466 1 92 . LEU . 19466 1 93 . GLN . 19466 1 94 . ALA . 19466 1 95 . ASP . 19466 1 96 . PRO . 19466 1 97 . LYS . 19466 1 98 . GLN . 19466 1 99 . LEU . 19466 1 100 . GLU . 19466 1 101 . VAL . 19466 1 102 . LEU . 19466 1 103 . PHE . 19466 1 104 . GLN . 19466 1 105 . GLY . 19466 1 106 . PRO . 19466 1 107 . ALA . 19466 1 108 . ARG . 19466 1 109 . GLY . 19466 1 110 . THR . 19466 1 111 . PHE . 19466 1 112 . GLU . 19466 1 113 . ASP . 19466 1 114 . PHE . 19466 1 115 . THR . 19466 1 116 . CYS . 19466 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 19466 1 . SER 2 2 19466 1 . PRO 3 3 19466 1 . GLY 4 4 19466 1 . ILE 5 5 19466 1 . PRO 6 6 19466 1 . VAL 7 7 19466 1 . PRO 8 8 19466 1 . GLY 9 9 19466 1 . LYS 10 10 19466 1 . VAL 11 11 19466 1 . THR 12 12 19466 1 . LEU 13 13 19466 1 . GLN 14 14 19466 1 . LYS 15 15 19466 1 . ASP 16 16 19466 1 . ALA 17 17 19466 1 . GLN 18 18 19466 1 . ASN 19 19 19466 1 . LEU 20 20 19466 1 . ILE 21 21 19466 1 . GLY 22 22 19466 1 . ILE 23 23 19466 1 . SER 24 24 19466 1 . ILE 25 25 19466 1 . GLY 26 26 19466 1 . GLY 27 27 19466 1 . GLY 28 28 19466 1 . ALA 29 29 19466 1 . GLN 30 30 19466 1 . TYR 31 31 19466 1 . CYS 32 32 19466 1 . PRO 33 33 19466 1 . CYS 34 34 19466 1 . LEU 35 35 19466 1 . TYR 36 36 19466 1 . ILE 37 37 19466 1 . VAL 38 38 19466 1 . GLN 39 39 19466 1 . VAL 40 40 19466 1 . PHE 41 41 19466 1 . ASP 42 42 19466 1 . ASN 43 43 19466 1 . THR 44 44 19466 1 . PRO 45 45 19466 1 . ALA 46 46 19466 1 . ALA 47 47 19466 1 . LEU 48 48 19466 1 . ASP 49 49 19466 1 . GLY 50 50 19466 1 . THR 51 51 19466 1 . VAL 52 52 19466 1 . ALA 53 53 19466 1 . ALA 54 54 19466 1 . GLY 55 55 19466 1 . ASP 56 56 19466 1 . GLU 57 57 19466 1 . ILE 58 58 19466 1 . THR 59 59 19466 1 . GLY 60 60 19466 1 . VAL 61 61 19466 1 . ASN 62 62 19466 1 . GLY 63 63 19466 1 . ARG 64 64 19466 1 . SER 65 65 19466 1 . ILE 66 66 19466 1 . LYS 67 67 19466 1 . GLY 68 68 19466 1 . LYS 69 69 19466 1 . THR 70 70 19466 1 . LYS 71 71 19466 1 . VAL 72 72 19466 1 . GLU 73 73 19466 1 . VAL 74 74 19466 1 . ALA 75 75 19466 1 . LYS 76 76 19466 1 . MET 77 77 19466 1 . ILE 78 78 19466 1 . GLN 79 79 19466 1 . GLU 80 80 19466 1 . VAL 81 81 19466 1 . LYS 82 82 19466 1 . GLY 83 83 19466 1 . GLU 84 84 19466 1 . VAL 85 85 19466 1 . THR 86 86 19466 1 . ILE 87 87 19466 1 . HIS 88 88 19466 1 . TYR 89 89 19466 1 . ASN 90 90 19466 1 . LYS 91 91 19466 1 . LEU 92 92 19466 1 . GLN 93 93 19466 1 . ALA 94 94 19466 1 . ASP 95 95 19466 1 . PRO 96 96 19466 1 . LYS 97 97 19466 1 . GLN 98 98 19466 1 . LEU 99 99 19466 1 . GLU 100 100 19466 1 . VAL 101 101 19466 1 . LEU 102 102 19466 1 . PHE 103 103 19466 1 . GLN 104 104 19466 1 . GLY 105 105 19466 1 . PRO 106 106 19466 1 . ALA 107 107 19466 1 . ARG 108 108 19466 1 . GLY 109 109 19466 1 . THR 110 110 19466 1 . PHE 111 111 19466 1 . GLU 112 112 19466 1 . ASP 113 113 19466 1 . PHE 114 114 19466 1 . THR 115 115 19466 1 . CYS 116 116 19466 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 19466 _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 $PICK1_PDZ . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 19466 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 19466 _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 $PICK1_PDZ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pGEX 4T2' . . . 19466 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PICK1-ASIC _Sample.Sf_category sample _Sample.Sf_framecode PICK1-ASIC _Sample.Entry_ID 19466 _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 'PICK1 PDZ ASIC1a C-terminal' '[U-99% 13C; U-99% 15N]' . . 1 $PICK1_PDZ . . 900 . . uM . . . . 19466 1 2 'Triton X 100' 'natural abundance' . . . . . . 0.01 . . % . . . . 19466 1 3 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 19466 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19466 1 5 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 19466 1 6 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 19466 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19466 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19466 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 19466 _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 pH 7.4 . pH 19466 1 pressure ambient . atm 19466 1 temperature 273 . K 19466 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19466 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19466 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 19466 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19466 _Software.ID 2 _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' . . 19466 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 19466 2 stop_ save_ save_CCPN_analysis _Software.Sf_category software _Software.Sf_framecode CCPN_analysis _Software.Entry_ID 19466 _Software.ID 3 _Software.Type . _Software.Name CCPN_analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19466 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 19466 3 . 'data analysis' 19466 3 . 'peak picking' 19466 3 stop_ save_ save_qMDD _Software.Sf_category software _Software.Sf_framecode qMDD _Software.Entry_ID 19466 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Maxim Mayzel, Vladislav Orekhov' 'University of Gothenburg, Sweden' . 19466 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 19466 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 19466 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19466 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 19466 _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 Varian INOVA . 800 . . . 19466 1 2 spectrometer_2 Varian INOVA . 750 . . . 19466 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 19466 _Experiment_list.ID 1 _Experiment_list.Details 'ALL 3D spectra are recorded with non-linear sampling using the pulse sequences provided by the VNMRJ software pack.' 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 $PICK1-ASIC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19466 1 2 '3D HNCO_NLS' no . . . . . . . . . . 1 $PICK1-ASIC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19466 1 3 '3D HNCA_NLS' no . . . . . . . . . . 1 $PICK1-ASIC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19466 1 4 '3D CBCA(CO)NH_NLS' no . . . . . . . . . . 1 $PICK1-ASIC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19466 1 5 '3D HN(CO)CA_NLS' no . . . . . . . . . . 1 $PICK1-ASIC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19466 1 6 '3D HNCACB_NLS' no . . . . . . . . . . 1 $PICK1-ASIC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19466 1 7 '3D HCCH-TOCSY_NLS' no . . . . . . . . . . 1 $PICK1-ASIC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19466 1 8 '3D H(CCO)NH_NLS' no . . . . . . . . . . 1 $PICK1-ASIC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19466 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 19466 _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 . . . . . 19466 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19466 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19466 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_PICK1_PDZ_ASIC1a_C-terminal_major_state _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PICK1_PDZ_ASIC1a_C-terminal_major_state _Assigned_chem_shift_list.Entry_ID 19466 _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 $DSS _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' . . . 19466 1 2 '3D HNCO_NLS' . . . 19466 1 3 '3D HNCA_NLS' . . . 19466 1 4 '3D CBCA(CO)NH_NLS' . . . 19466 1 5 '3D HN(CO)CA_NLS' . . . 19466 1 6 '3D HNCACB_NLS' . . . 19466 1 7 '3D HCCH-TOCSY_NLS' . . . 19466 1 8 '3D H(CCO)NH_NLS' . . . 19466 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 3 3 PRO C C 13 177.340 0.000 . 1 . . . . . 3 Pro C . 19466 1 2 . 1 1 3 3 PRO CA C 13 63.568 0.007 . 1 . . . . . 3 Pro CA . 19466 1 3 . 1 1 3 3 PRO CB C 13 32.144 0.000 . 1 . . . . . 3 Pro CB . 19466 1 4 . 1 1 4 4 GLY H H 1 8.515 0.002 . 1 . . . . . 4 Gly H . 19466 1 5 . 1 1 4 4 GLY C C 13 173.458 0.000 . 1 . . . . . 4 Gly C . 19466 1 6 . 1 1 4 4 GLY CA C 13 45.078 0.029 . 1 . . . . . 4 Gly CA . 19466 1 7 . 1 1 4 4 GLY N N 15 109.045 0.034 . 1 . . . . . 4 Gly N . 19466 1 8 . 1 1 5 5 ILE H H 1 8.006 0.003 . 1 . . . . . 5 Ile H . 19466 1 9 . 1 1 5 5 ILE HA H 1 4.480 0.005 . 1 . . . . . 5 Ile HA . 19466 1 10 . 1 1 5 5 ILE HB H 1 1.865 0.008 . 1 . . . . . 5 Ile HB . 19466 1 11 . 1 1 5 5 ILE HG12 H 1 1.471 0.004 . 2 . . . . . 5 Ile HG12 . 19466 1 12 . 1 1 5 5 ILE HG13 H 1 1.178 0.015 . 2 . . . . . 5 Ile HG13 . 19466 1 13 . 1 1 5 5 ILE HG21 H 1 0.945 0.003 . 1 . . . . . 5 Ile HG21 . 19466 1 14 . 1 1 5 5 ILE HG22 H 1 0.945 0.003 . 1 . . . . . 5 Ile HG22 . 19466 1 15 . 1 1 5 5 ILE HG23 H 1 0.945 0.003 . 1 . . . . . 5 Ile HG23 . 19466 1 16 . 1 1 5 5 ILE HD11 H 1 0.850 0.003 . 1 . . . . . 5 Ile HD11 . 19466 1 17 . 1 1 5 5 ILE HD12 H 1 0.850 0.003 . 1 . . . . . 5 Ile HD12 . 19466 1 18 . 1 1 5 5 ILE HD13 H 1 0.850 0.003 . 1 . . . . . 5 Ile HD13 . 19466 1 19 . 1 1 5 5 ILE CA C 13 58.496 0.082 . 1 . . . . . 5 Ile CA . 19466 1 20 . 1 1 5 5 ILE CB C 13 38.651 0.044 . 1 . . . . . 5 Ile CB . 19466 1 21 . 1 1 5 5 ILE CG1 C 13 27.331 0.062 . 1 . . . . . 5 Ile CG1 . 19466 1 22 . 1 1 5 5 ILE CG2 C 13 17.031 0.032 . 1 . . . . . 5 Ile CG2 . 19466 1 23 . 1 1 5 5 ILE CD1 C 13 12.729 0.078 . 1 . . . . . 5 Ile CD1 . 19466 1 24 . 1 1 5 5 ILE N N 15 121.740 0.035 . 1 . . . . . 5 Ile N . 19466 1 25 . 1 1 6 6 PRO C C 13 176.476 0.000 . 1 . . . . . 6 Pro C . 19466 1 26 . 1 1 6 6 PRO CA C 13 62.769 0.022 . 1 . . . . . 6 Pro CA . 19466 1 27 . 1 1 6 6 PRO CB C 13 32.561 0.055 . 1 . . . . . 6 Pro CB . 19466 1 28 . 1 1 7 7 VAL H H 1 8.681 0.004 . 1 . . . . . 7 Val H . 19466 1 29 . 1 1 7 7 VAL CA C 13 59.787 0.028 . 1 . . . . . 7 Val CA . 19466 1 30 . 1 1 7 7 VAL CB C 13 33.619 0.011 . 1 . . . . . 7 Val CB . 19466 1 31 . 1 1 7 7 VAL N N 15 123.622 0.044 . 1 . . . . . 7 Val N . 19466 1 32 . 1 1 8 8 PRO C C 13 177.674 0.000 . 1 . . . . . 8 Pro C . 19466 1 33 . 1 1 8 8 PRO CA C 13 62.346 0.000 . 1 . . . . . 8 Pro CA . 19466 1 34 . 1 1 8 8 PRO CB C 13 33.100 0.000 . 1 . . . . . 8 Pro CB . 19466 1 35 . 1 1 9 9 GLY H H 1 8.180 0.003 . 1 . . . . . 9 Gly H . 19466 1 36 . 1 1 9 9 GLY C C 13 171.394 0.000 . 1 . . . . . 9 Gly C . 19466 1 37 . 1 1 9 9 GLY CA C 13 44.532 0.063 . 1 . . . . . 9 Gly CA . 19466 1 38 . 1 1 9 9 GLY N N 15 108.143 0.058 . 1 . . . . . 9 Gly N . 19466 1 39 . 1 1 10 10 LYS H H 1 8.177 0.004 . 1 . . . . . 10 Lys H . 19466 1 40 . 1 1 10 10 LYS C C 13 174.440 0.000 . 1 . . . . . 10 Lys C . 19466 1 41 . 1 1 10 10 LYS CA C 13 55.205 0.008 . 1 . . . . . 10 Lys CA . 19466 1 42 . 1 1 10 10 LYS CB C 13 35.164 0.041 . 1 . . . . . 10 Lys CB . 19466 1 43 . 1 1 10 10 LYS N N 15 117.156 0.120 . 1 . . . . . 10 Lys N . 19466 1 44 . 1 1 11 11 VAL H H 1 8.892 0.007 . 1 . . . . . 11 Val H . 19466 1 45 . 1 1 11 11 VAL C C 13 171.794 0.000 . 1 . . . . . 11 Val C . 19466 1 46 . 1 1 11 11 VAL CA C 13 59.879 0.023 . 1 . . . . . 11 Val CA . 19466 1 47 . 1 1 11 11 VAL CB C 13 35.321 0.068 . 1 . . . . . 11 Val CB . 19466 1 48 . 1 1 11 11 VAL N N 15 120.455 0.070 . 1 . . . . . 11 Val N . 19466 1 49 . 1 1 12 12 THR H H 1 8.927 0.002 . 1 . . . . . 12 Thr H . 19466 1 50 . 1 1 12 12 THR C C 13 173.475 0.000 . 1 . . . . . 12 Thr C . 19466 1 51 . 1 1 12 12 THR CA C 13 62.081 0.013 . 1 . . . . . 12 Thr CA . 19466 1 52 . 1 1 12 12 THR CB C 13 69.490 0.038 . 1 . . . . . 12 Thr CB . 19466 1 53 . 1 1 12 12 THR N N 15 126.187 0.128 . 1 . . . . . 12 Thr N . 19466 1 54 . 1 1 13 13 LEU H H 1 9.252 0.005 . 1 . . . . . 13 Leu H . 19466 1 55 . 1 1 13 13 LEU C C 13 175.070 0.000 . 1 . . . . . 13 Leu C . 19466 1 56 . 1 1 13 13 LEU CA C 13 52.544 0.011 . 1 . . . . . 13 Leu CA . 19466 1 57 . 1 1 13 13 LEU CB C 13 46.170 0.030 . 1 . . . . . 13 Leu CB . 19466 1 58 . 1 1 13 13 LEU N N 15 128.377 0.045 . 1 . . . . . 13 Leu N . 19466 1 59 . 1 1 14 14 GLN H H 1 8.655 0.002 . 1 . . . . . 14 Gln H . 19466 1 60 . 1 1 14 14 GLN C C 13 175.527 0.000 . 1 . . . . . 14 Gln C . 19466 1 61 . 1 1 14 14 GLN CA C 13 54.669 0.018 . 1 . . . . . 14 Gln CA . 19466 1 62 . 1 1 14 14 GLN CB C 13 29.258 0.006 . 1 . . . . . 14 Gln CB . 19466 1 63 . 1 1 14 14 GLN N N 15 121.022 0.059 . 1 . . . . . 14 Gln N . 19466 1 64 . 1 1 15 15 LYS H H 1 8.041 0.004 . 1 . . . . . 15 Lys H . 19466 1 65 . 1 1 15 15 LYS C C 13 177.650 0.000 . 1 . . . . . 15 Lys C . 19466 1 66 . 1 1 15 15 LYS CA C 13 55.689 0.007 . 1 . . . . . 15 Lys CA . 19466 1 67 . 1 1 15 15 LYS CB C 13 34.520 0.000 . 1 . . . . . 15 Lys CB . 19466 1 68 . 1 1 15 15 LYS N N 15 119.458 0.102 . 1 . . . . . 15 Lys N . 19466 1 69 . 1 1 16 16 ASP H H 1 8.804 0.002 . 1 . . . . . 16 Asp H . 19466 1 70 . 1 1 16 16 ASP C C 13 178.454 0.000 . 1 . . . . . 16 Asp C . 19466 1 71 . 1 1 16 16 ASP CA C 13 52.521 0.063 . 1 . . . . . 16 Asp CA . 19466 1 72 . 1 1 16 16 ASP CB C 13 41.207 0.018 . 1 . . . . . 16 Asp CB . 19466 1 73 . 1 1 16 16 ASP N N 15 121.360 0.063 . 1 . . . . . 16 Asp N . 19466 1 74 . 1 1 17 17 ALA H H 1 8.433 0.006 . 1 . . . . . 17 Ala H . 19466 1 75 . 1 1 17 17 ALA C C 13 178.680 0.000 . 1 . . . . . 17 Ala C . 19466 1 76 . 1 1 17 17 ALA CA C 13 54.406 0.045 . 1 . . . . . 17 Ala CA . 19466 1 77 . 1 1 17 17 ALA CB C 13 18.395 0.000 . 1 . . . . . 17 Ala CB . 19466 1 78 . 1 1 17 17 ALA N N 15 119.822 0.100 . 1 . . . . . 17 Ala N . 19466 1 79 . 1 1 18 18 GLN H H 1 8.366 0.004 . 1 . . . . . 18 Gln H . 19466 1 80 . 1 1 18 18 GLN C C 13 175.181 0.000 . 1 . . . . . 18 Gln C . 19466 1 81 . 1 1 18 18 GLN CA C 13 55.285 0.026 . 1 . . . . . 18 Gln CA . 19466 1 82 . 1 1 18 18 GLN CB C 13 28.693 0.016 . 1 . . . . . 18 Gln CB . 19466 1 83 . 1 1 18 18 GLN N N 15 117.537 0.044 . 1 . . . . . 18 Gln N . 19466 1 84 . 1 1 19 19 ASN H H 1 8.482 0.003 . 1 . . . . . 19 Asn H . 19466 1 85 . 1 1 19 19 ASN C C 13 174.293 0.000 . 1 . . . . . 19 Asn C . 19466 1 86 . 1 1 19 19 ASN CA C 13 54.718 0.037 . 1 . . . . . 19 Asn CA . 19466 1 87 . 1 1 19 19 ASN CB C 13 37.523 0.025 . 1 . . . . . 19 Asn CB . 19466 1 88 . 1 1 19 19 ASN N N 15 114.257 0.052 . 1 . . . . . 19 Asn N . 19466 1 89 . 1 1 20 20 LEU H H 1 8.390 0.008 . 1 . . . . . 20 Leu H . 19466 1 90 . 1 1 20 20 LEU C C 13 178.033 0.000 . 1 . . . . . 20 Leu C . 19466 1 91 . 1 1 20 20 LEU CA C 13 54.289 0.002 . 1 . . . . . 20 Leu CA . 19466 1 92 . 1 1 20 20 LEU CB C 13 44.933 0.003 . 1 . . . . . 20 Leu CB . 19466 1 93 . 1 1 20 20 LEU N N 15 119.512 0.059 . 1 . . . . . 20 Leu N . 19466 1 94 . 1 1 21 21 ILE H H 1 11.223 0.006 . 1 . . . . . 21 Ile H . 19466 1 95 . 1 1 21 21 ILE C C 13 175.904 0.000 . 1 . . . . . 21 Ile C . 19466 1 96 . 1 1 21 21 ILE CA C 13 62.626 0.087 . 1 . . . . . 21 Ile CA . 19466 1 97 . 1 1 21 21 ILE CB C 13 40.566 0.000 . 1 . . . . . 21 Ile CB . 19466 1 98 . 1 1 21 21 ILE N N 15 115.045 0.065 . 1 . . . . . 21 Ile N . 19466 1 99 . 1 1 22 22 GLY H H 1 10.056 0.011 . 1 . . . . . 22 Gly H . 19466 1 100 . 1 1 22 22 GLY C C 13 173.956 0.000 . 1 . . . . . 22 Gly C . 19466 1 101 . 1 1 22 22 GLY CA C 13 46.217 0.038 . 1 . . . . . 22 Gly CA . 19466 1 102 . 1 1 22 22 GLY N N 15 112.637 0.097 . 1 . . . . . 22 Gly N . 19466 1 103 . 1 1 23 23 ILE H H 1 8.073 0.010 . 1 . . . . . 23 Ile H . 19466 1 104 . 1 1 23 23 ILE C C 13 174.192 0.000 . 1 . . . . . 23 Ile C . 19466 1 105 . 1 1 23 23 ILE CA C 13 58.626 0.026 . 1 . . . . . 23 Ile CA . 19466 1 106 . 1 1 23 23 ILE CB C 13 42.221 0.012 . 1 . . . . . 23 Ile CB . 19466 1 107 . 1 1 23 23 ILE N N 15 110.975 0.063 . 1 . . . . . 23 Ile N . 19466 1 108 . 1 1 24 24 SER H H 1 8.232 0.005 . 1 . . . . . 24 Ser H . 19466 1 109 . 1 1 24 24 SER C C 13 174.539 0.000 . 1 . . . . . 24 Ser C . 19466 1 110 . 1 1 24 24 SER CA C 13 55.877 0.014 . 1 . . . . . 24 Ser CA . 19466 1 111 . 1 1 24 24 SER CB C 13 65.700 0.021 . 1 . . . . . 24 Ser CB . 19466 1 112 . 1 1 24 24 SER N N 15 114.422 0.062 . 1 . . . . . 24 Ser N . 19466 1 113 . 1 1 25 25 ILE H H 1 8.850 0.011 . 1 . . . . . 25 Ile H . 19466 1 114 . 1 1 25 25 ILE C C 13 174.704 0.000 . 1 . . . . . 25 Ile C . 19466 1 115 . 1 1 25 25 ILE CA C 13 59.959 0.000 . 1 . . . . . 25 Ile CA . 19466 1 116 . 1 1 25 25 ILE CB C 13 40.056 0.061 . 1 . . . . . 25 Ile CB . 19466 1 117 . 1 1 25 25 ILE N N 15 124.469 0.055 . 1 . . . . . 25 Ile N . 19466 1 118 . 1 1 26 26 GLY H H 1 9.153 0.006 . 1 . . . . . 26 Gly H . 19466 1 119 . 1 1 26 26 GLY C C 13 172.004 0.000 . 1 . . . . . 26 Gly C . 19466 1 120 . 1 1 26 26 GLY CA C 13 44.152 0.020 . 1 . . . . . 26 Gly CA . 19466 1 121 . 1 1 26 26 GLY N N 15 112.264 0.036 . 1 . . . . . 26 Gly N . 19466 1 122 . 1 1 27 27 GLY H H 1 8.498 0.004 . 1 . . . . . 27 Gly H . 19466 1 123 . 1 1 27 27 GLY C C 13 174.532 0.000 . 1 . . . . . 27 Gly C . 19466 1 124 . 1 1 27 27 GLY CA C 13 44.439 0.061 . 1 . . . . . 27 Gly CA . 19466 1 125 . 1 1 27 27 GLY N N 15 106.101 0.039 . 1 . . . . . 27 Gly N . 19466 1 126 . 1 1 28 28 GLY H H 1 8.459 0.014 . 1 . . . . . 28 Gly H . 19466 1 127 . 1 1 28 28 GLY C C 13 173.898 0.000 . 1 . . . . . 28 Gly C . 19466 1 128 . 1 1 28 28 GLY CA C 13 46.216 0.040 . 1 . . . . . 28 Gly CA . 19466 1 129 . 1 1 28 28 GLY N N 15 110.274 0.111 . 1 . . . . . 28 Gly N . 19466 1 130 . 1 1 29 29 ALA H H 1 8.088 0.007 . 1 . . . . . 29 Ala H . 19466 1 131 . 1 1 29 29 ALA CA C 13 51.538 0.024 . 1 . . . . . 29 Ala CA . 19466 1 132 . 1 1 29 29 ALA CB C 13 20.838 0.004 . 1 . . . . . 29 Ala CB . 19466 1 133 . 1 1 29 29 ALA N N 15 123.626 0.063 . 1 . . . . . 29 Ala N . 19466 1 134 . 1 1 31 31 TYR C C 13 175.340 0.000 . 1 . . . . . 31 Tyr C . 19466 1 135 . 1 1 31 31 TYR CA C 13 58.065 0.000 . 1 . . . . . 31 Tyr CA . 19466 1 136 . 1 1 31 31 TYR CB C 13 37.216 0.000 . 1 . . . . . 31 Tyr CB . 19466 1 137 . 1 1 32 32 CYS H H 1 7.632 0.004 . 1 . . . . . 32 Cys H . 19466 1 138 . 1 1 32 32 CYS CA C 13 56.802 0.000 . 1 . . . . . 32 Cys CA . 19466 1 139 . 1 1 32 32 CYS CB C 13 28.078 0.000 . 1 . . . . . 32 Cys CB . 19466 1 140 . 1 1 32 32 CYS N N 15 120.142 0.148 . 1 . . . . . 32 Cys N . 19466 1 141 . 1 1 35 35 LEU C C 13 175.538 0.000 . 1 . . . . . 35 Leu C . 19466 1 142 . 1 1 35 35 LEU CA C 13 53.255 0.000 . 1 . . . . . 35 Leu CA . 19466 1 143 . 1 1 35 35 LEU CB C 13 44.249 0.000 . 1 . . . . . 35 Leu CB . 19466 1 144 . 1 1 36 36 TYR H H 1 8.554 0.005 . 1 . . . . . 36 Tyr H . 19466 1 145 . 1 1 36 36 TYR C C 13 175.301 0.000 . 1 . . . . . 36 Tyr C . 19466 1 146 . 1 1 36 36 TYR CA C 13 59.232 0.000 . 1 . . . . . 36 Tyr CA . 19466 1 147 . 1 1 36 36 TYR CB C 13 42.536 0.000 . 1 . . . . . 36 Tyr CB . 19466 1 148 . 1 1 36 36 TYR N N 15 117.189 0.110 . 1 . . . . . 36 Tyr N . 19466 1 149 . 1 1 37 37 ILE H H 1 8.938 0.004 . 1 . . . . . 37 Ile H . 19466 1 150 . 1 1 37 37 ILE C C 13 176.108 0.000 . 1 . . . . . 37 Ile C . 19466 1 151 . 1 1 37 37 ILE CA C 13 61.814 0.007 . 1 . . . . . 37 Ile CA . 19466 1 152 . 1 1 37 37 ILE CB C 13 37.639 0.000 . 1 . . . . . 37 Ile CB . 19466 1 153 . 1 1 37 37 ILE N N 15 120.510 0.093 . 1 . . . . . 37 Ile N . 19466 1 154 . 1 1 38 38 VAL H H 1 8.990 0.002 . 1 . . . . . 38 Val H . 19466 1 155 . 1 1 38 38 VAL C C 13 175.035 0.000 . 1 . . . . . 38 Val C . 19466 1 156 . 1 1 38 38 VAL CA C 13 63.020 0.019 . 1 . . . . . 38 Val CA . 19466 1 157 . 1 1 38 38 VAL CB C 13 32.336 0.000 . 1 . . . . . 38 Val CB . 19466 1 158 . 1 1 38 38 VAL N N 15 127.234 0.045 . 1 . . . . . 38 Val N . 19466 1 159 . 1 1 39 39 GLN H H 1 7.196 0.003 . 1 . . . . . 39 Gln H . 19466 1 160 . 1 1 39 39 GLN C C 13 172.438 0.000 . 1 . . . . . 39 Gln C . 19466 1 161 . 1 1 39 39 GLN CA C 13 55.314 0.028 . 1 . . . . . 39 Gln CA . 19466 1 162 . 1 1 39 39 GLN CB C 13 32.153 0.025 . 1 . . . . . 39 Gln CB . 19466 1 163 . 1 1 39 39 GLN N N 15 116.441 0.055 . 1 . . . . . 39 Gln N . 19466 1 164 . 1 1 40 40 VAL H H 1 8.417 0.002 . 1 . . . . . 40 Val H . 19466 1 165 . 1 1 40 40 VAL C C 13 176.602 0.000 . 1 . . . . . 40 Val C . 19466 1 166 . 1 1 40 40 VAL CA C 13 61.050 0.021 . 1 . . . . . 40 Val CA . 19466 1 167 . 1 1 40 40 VAL CB C 13 32.875 0.000 . 1 . . . . . 40 Val CB . 19466 1 168 . 1 1 40 40 VAL N N 15 123.293 0.038 . 1 . . . . . 40 Val N . 19466 1 169 . 1 1 41 41 PHE H H 1 8.703 0.003 . 1 . . . . . 41 Phe H . 19466 1 170 . 1 1 41 41 PHE C C 13 175.543 0.000 . 1 . . . . . 41 Phe C . 19466 1 171 . 1 1 41 41 PHE CA C 13 58.572 0.058 . 1 . . . . . 41 Phe CA . 19466 1 172 . 1 1 41 41 PHE CB C 13 39.475 0.036 . 1 . . . . . 41 Phe CB . 19466 1 173 . 1 1 41 41 PHE N N 15 128.490 0.038 . 1 . . . . . 41 Phe N . 19466 1 174 . 1 1 42 42 ASP H H 1 8.989 0.003 . 1 . . . . . 42 Asp H . 19466 1 175 . 1 1 42 42 ASP C C 13 176.926 0.000 . 1 . . . . . 42 Asp C . 19466 1 176 . 1 1 42 42 ASP CA C 13 55.387 0.016 . 1 . . . . . 42 Asp CA . 19466 1 177 . 1 1 42 42 ASP CB C 13 41.120 0.013 . 1 . . . . . 42 Asp CB . 19466 1 178 . 1 1 42 42 ASP N N 15 122.660 0.033 . 1 . . . . . 42 Asp N . 19466 1 179 . 1 1 43 43 ASN H H 1 9.326 0.003 . 1 . . . . . 43 Asn H . 19466 1 180 . 1 1 43 43 ASN C C 13 173.768 0.000 . 1 . . . . . 43 Asn C . 19466 1 181 . 1 1 43 43 ASN CA C 13 54.898 0.016 . 1 . . . . . 43 Asn CA . 19466 1 182 . 1 1 43 43 ASN CB C 13 37.181 0.017 . 1 . . . . . 43 Asn CB . 19466 1 183 . 1 1 43 43 ASN N N 15 113.876 0.056 . 1 . . . . . 43 Asn N . 19466 1 184 . 1 1 44 44 THR H H 1 7.165 0.003 . 1 . . . . . 44 Thr H . 19466 1 185 . 1 1 44 44 THR CA C 13 59.824 0.001 . 1 . . . . . 44 Thr CA . 19466 1 186 . 1 1 44 44 THR CB C 13 69.222 0.024 . 1 . . . . . 44 Thr CB . 19466 1 187 . 1 1 44 44 THR N N 15 107.965 0.037 . 1 . . . . . 44 Thr N . 19466 1 188 . 1 1 45 45 PRO C C 13 180.139 0.000 . 1 . . . . . 45 Pro C . 19466 1 189 . 1 1 45 45 PRO CA C 13 66.197 0.096 . 1 . . . . . 45 Pro CA . 19466 1 190 . 1 1 45 45 PRO CB C 13 33.256 0.000 . 1 . . . . . 45 Pro CB . 19466 1 191 . 1 1 46 46 ALA H H 1 9.337 0.004 . 1 . . . . . 46 Ala H . 19466 1 192 . 1 1 46 46 ALA C C 13 180.698 0.000 . 1 . . . . . 46 Ala C . 19466 1 193 . 1 1 46 46 ALA CA C 13 55.146 0.016 . 1 . . . . . 46 Ala CA . 19466 1 194 . 1 1 46 46 ALA CB C 13 18.660 0.079 . 1 . . . . . 46 Ala CB . 19466 1 195 . 1 1 46 46 ALA N N 15 117.131 0.075 . 1 . . . . . 46 Ala N . 19466 1 196 . 1 1 47 47 ALA H H 1 7.619 0.003 . 1 . . . . . 47 Ala H . 19466 1 197 . 1 1 47 47 ALA C C 13 179.864 0.000 . 1 . . . . . 47 Ala C . 19466 1 198 . 1 1 47 47 ALA CA C 13 54.986 0.035 . 1 . . . . . 47 Ala CA . 19466 1 199 . 1 1 47 47 ALA CB C 13 19.652 0.022 . 1 . . . . . 47 Ala CB . 19466 1 200 . 1 1 47 47 ALA N N 15 123.464 0.031 . 1 . . . . . 47 Ala N . 19466 1 201 . 1 1 48 48 LEU H H 1 8.670 0.002 . 1 . . . . . 48 Leu H . 19466 1 202 . 1 1 48 48 LEU C C 13 179.236 0.000 . 1 . . . . . 48 Leu C . 19466 1 203 . 1 1 48 48 LEU CA C 13 57.292 0.021 . 1 . . . . . 48 Leu CA . 19466 1 204 . 1 1 48 48 LEU CB C 13 41.480 0.043 . 1 . . . . . 48 Leu CB . 19466 1 205 . 1 1 48 48 LEU N N 15 118.500 0.049 . 1 . . . . . 48 Leu N . 19466 1 206 . 1 1 49 49 ASP H H 1 7.755 0.002 . 1 . . . . . 49 Asp H . 19466 1 207 . 1 1 49 49 ASP CA C 13 57.057 0.013 . 1 . . . . . 49 Asp CA . 19466 1 208 . 1 1 49 49 ASP CB C 13 44.580 0.015 . 1 . . . . . 49 Asp CB . 19466 1 209 . 1 1 49 49 ASP N N 15 117.449 0.029 . 1 . . . . . 49 Asp N . 19466 1 210 . 1 1 50 50 GLY H H 1 7.258 0.005 . 1 . . . . . 50 Gly H . 19466 1 211 . 1 1 50 50 GLY C C 13 174.618 0.000 . 1 . . . . . 50 Gly C . 19466 1 212 . 1 1 50 50 GLY CA C 13 46.422 0.016 . 1 . . . . . 50 Gly CA . 19466 1 213 . 1 1 50 50 GLY N N 15 103.132 0.038 . 1 . . . . . 50 Gly N . 19466 1 214 . 1 1 51 51 THR H H 1 8.347 0.006 . 1 . . . . . 51 Thr H . 19466 1 215 . 1 1 51 51 THR C C 13 175.824 0.000 . 1 . . . . . 51 Thr C . 19466 1 216 . 1 1 51 51 THR CA C 13 66.737 0.024 . 1 . . . . . 51 Thr CA . 19466 1 217 . 1 1 51 51 THR CB C 13 68.131 0.000 . 1 . . . . . 51 Thr CB . 19466 1 218 . 1 1 51 51 THR N N 15 117.803 0.029 . 1 . . . . . 51 Thr N . 19466 1 219 . 1 1 52 52 VAL H H 1 8.183 0.003 . 1 . . . . . 52 Val H . 19466 1 220 . 1 1 52 52 VAL C C 13 173.626 0.000 . 1 . . . . . 52 Val C . 19466 1 221 . 1 1 52 52 VAL CA C 13 60.591 0.050 . 1 . . . . . 52 Val CA . 19466 1 222 . 1 1 52 52 VAL CB C 13 33.226 0.025 . 1 . . . . . 52 Val CB . 19466 1 223 . 1 1 52 52 VAL N N 15 113.983 0.034 . 1 . . . . . 52 Val N . 19466 1 224 . 1 1 53 53 ALA H H 1 8.661 0.005 . 1 . . . . . 53 Ala H . 19466 1 225 . 1 1 53 53 ALA C C 13 175.300 0.000 . 1 . . . . . 53 Ala C . 19466 1 226 . 1 1 53 53 ALA CA C 13 50.202 0.010 . 1 . . . . . 53 Ala CA . 19466 1 227 . 1 1 53 53 ALA CB C 13 23.282 0.001 . 1 . . . . . 53 Ala CB . 19466 1 228 . 1 1 53 53 ALA N N 15 123.753 0.038 . 1 . . . . . 53 Ala N . 19466 1 229 . 1 1 54 54 ALA H H 1 8.453 0.004 . 1 . . . . . 54 Ala H . 19466 1 230 . 1 1 54 54 ALA C C 13 178.455 0.000 . 1 . . . . . 54 Ala C . 19466 1 231 . 1 1 54 54 ALA CA C 13 52.992 0.050 . 1 . . . . . 54 Ala CA . 19466 1 232 . 1 1 54 54 ALA CB C 13 17.992 0.059 . 1 . . . . . 54 Ala CB . 19466 1 233 . 1 1 54 54 ALA N N 15 120.739 0.028 . 1 . . . . . 54 Ala N . 19466 1 234 . 1 1 55 55 GLY H H 1 9.649 0.006 . 1 . . . . . 55 Gly H . 19466 1 235 . 1 1 55 55 GLY C C 13 173.709 0.000 . 1 . . . . . 55 Gly C . 19466 1 236 . 1 1 55 55 GLY CA C 13 44.751 0.031 . 1 . . . . . 55 Gly CA . 19466 1 237 . 1 1 55 55 GLY N N 15 112.712 0.035 . 1 . . . . . 55 Gly N . 19466 1 238 . 1 1 56 56 ASP H H 1 8.097 0.002 . 1 . . . . . 56 Asp H . 19466 1 239 . 1 1 56 56 ASP C C 13 172.451 0.000 . 1 . . . . . 56 Asp C . 19466 1 240 . 1 1 56 56 ASP CA C 13 55.614 0.056 . 1 . . . . . 56 Asp CA . 19466 1 241 . 1 1 56 56 ASP CB C 13 40.605 0.011 . 1 . . . . . 56 Asp CB . 19466 1 242 . 1 1 56 56 ASP N N 15 121.493 0.038 . 1 . . . . . 56 Asp N . 19466 1 243 . 1 1 57 57 GLU H H 1 8.528 0.006 . 1 . . . . . 57 Glu H . 19466 1 244 . 1 1 57 57 GLU C C 13 177.111 0.000 . 1 . . . . . 57 Glu C . 19466 1 245 . 1 1 57 57 GLU CA C 13 54.759 0.024 . 1 . . . . . 57 Glu CA . 19466 1 246 . 1 1 57 57 GLU CB C 13 32.754 0.023 . 1 . . . . . 57 Glu CB . 19466 1 247 . 1 1 57 57 GLU N N 15 122.991 0.040 . 1 . . . . . 57 Glu N . 19466 1 248 . 1 1 58 58 ILE H H 1 8.559 0.006 . 1 . . . . . 58 Ile H . 19466 1 249 . 1 1 58 58 ILE C C 13 174.925 0.000 . 1 . . . . . 58 Ile C . 19466 1 250 . 1 1 58 58 ILE CA C 13 60.091 0.006 . 1 . . . . . 58 Ile CA . 19466 1 251 . 1 1 58 58 ILE CB C 13 39.578 0.000 . 1 . . . . . 58 Ile CB . 19466 1 252 . 1 1 58 58 ILE N N 15 125.586 0.085 . 1 . . . . . 58 Ile N . 19466 1 253 . 1 1 59 59 THR H H 1 9.187 0.006 . 1 . . . . . 59 Thr H . 19466 1 254 . 1 1 59 59 THR C C 13 176.424 0.000 . 1 . . . . . 59 Thr C . 19466 1 255 . 1 1 59 59 THR CA C 13 61.147 0.014 . 1 . . . . . 59 Thr CA . 19466 1 256 . 1 1 59 59 THR CB C 13 69.602 0.000 . 1 . . . . . 59 Thr CB . 19466 1 257 . 1 1 59 59 THR N N 15 115.333 0.068 . 1 . . . . . 59 Thr N . 19466 1 258 . 1 1 60 60 GLY H H 1 7.849 0.003 . 1 . . . . . 60 Gly H . 19466 1 259 . 1 1 60 60 GLY C C 13 170.922 0.000 . 1 . . . . . 60 Gly C . 19466 1 260 . 1 1 60 60 GLY CA C 13 46.539 0.020 . 1 . . . . . 60 Gly CA . 19466 1 261 . 1 1 60 60 GLY N N 15 111.382 0.038 . 1 . . . . . 60 Gly N . 19466 1 262 . 1 1 61 61 VAL H H 1 8.331 0.006 . 1 . . . . . 61 Val H . 19466 1 263 . 1 1 61 61 VAL CA C 13 60.964 0.029 . 1 . . . . . 61 Val CA . 19466 1 264 . 1 1 61 61 VAL CB C 13 36.488 0.000 . 1 . . . . . 61 Val CB . 19466 1 265 . 1 1 61 61 VAL N N 15 119.213 0.044 . 1 . . . . . 61 Val N . 19466 1 266 . 1 1 62 62 ASN H H 1 10.407 0.006 . 1 . . . . . 62 Asn H . 19466 1 267 . 1 1 62 62 ASN CA C 13 54.421 0.000 . 1 . . . . . 62 Asn CA . 19466 1 268 . 1 1 62 62 ASN CB C 13 36.704 0.000 . 1 . . . . . 62 Asn CB . 19466 1 269 . 1 1 62 62 ASN N N 15 127.892 0.038 . 1 . . . . . 62 Asn N . 19466 1 270 . 1 1 63 63 GLY H H 1 8.892 0.007 . 1 . . . . . 63 Gly H . 19466 1 271 . 1 1 63 63 GLY C C 13 173.585 0.000 . 1 . . . . . 63 Gly C . 19466 1 272 . 1 1 63 63 GLY CA C 13 45.284 0.000 . 1 . . . . . 63 Gly CA . 19466 1 273 . 1 1 63 63 GLY N N 15 104.647 0.033 . 1 . . . . . 63 Gly N . 19466 1 274 . 1 1 64 64 ARG H H 1 7.781 0.005 . 1 . . . . . 64 Arg H . 19466 1 275 . 1 1 64 64 ARG CA C 13 54.237 0.000 . 1 . . . . . 64 Arg CA . 19466 1 276 . 1 1 64 64 ARG CB C 13 31.568 0.042 . 1 . . . . . 64 Arg CB . 19466 1 277 . 1 1 64 64 ARG N N 15 120.524 0.051 . 1 . . . . . 64 Arg N . 19466 1 278 . 1 1 65 65 SER C C 13 176.850 0.000 . 1 . . . . . 65 Ser C . 19466 1 279 . 1 1 65 65 SER CA C 13 58.136 0.000 . 1 . . . . . 65 Ser CA . 19466 1 280 . 1 1 65 65 SER CB C 13 63.687 0.000 . 1 . . . . . 65 Ser CB . 19466 1 281 . 1 1 66 66 ILE H H 1 7.630 0.005 . 1 . . . . . 66 Ile H . 19466 1 282 . 1 1 66 66 ILE C C 13 174.830 0.000 . 1 . . . . . 66 Ile C . 19466 1 283 . 1 1 66 66 ILE CA C 13 59.235 0.018 . 1 . . . . . 66 Ile CA . 19466 1 284 . 1 1 66 66 ILE CB C 13 36.743 0.000 . 1 . . . . . 66 Ile CB . 19466 1 285 . 1 1 66 66 ILE N N 15 116.758 0.050 . 1 . . . . . 66 Ile N . 19466 1 286 . 1 1 67 67 LYS H H 1 7.848 0.003 . 1 . . . . . 67 Lys H . 19466 1 287 . 1 1 67 67 LYS CA C 13 58.467 0.014 . 1 . . . . . 67 Lys CA . 19466 1 288 . 1 1 67 67 LYS CB C 13 31.818 0.009 . 1 . . . . . 67 Lys CB . 19466 1 289 . 1 1 67 67 LYS N N 15 122.397 0.056 . 1 . . . . . 67 Lys N . 19466 1 290 . 1 1 68 68 GLY H H 1 8.974 0.005 . 1 . . . . . 68 Gly H . 19466 1 291 . 1 1 68 68 GLY C C 13 174.476 0.000 . 1 . . . . . 68 Gly C . 19466 1 292 . 1 1 68 68 GLY CA C 13 45.384 0.003 . 1 . . . . . 68 Gly CA . 19466 1 293 . 1 1 68 68 GLY N N 15 114.932 0.027 . 1 . . . . . 68 Gly N . 19466 1 294 . 1 1 69 69 LYS H H 1 7.878 0.002 . 1 . . . . . 69 Lys H . 19466 1 295 . 1 1 69 69 LYS C C 13 176.813 0.000 . 1 . . . . . 69 Lys C . 19466 1 296 . 1 1 69 69 LYS CA C 13 54.716 0.037 . 1 . . . . . 69 Lys CA . 19466 1 297 . 1 1 69 69 LYS CB C 13 34.225 0.023 . 1 . . . . . 69 Lys CB . 19466 1 298 . 1 1 69 69 LYS N N 15 119.760 0.028 . 1 . . . . . 69 Lys N . 19466 1 299 . 1 1 70 70 THR H H 1 9.111 0.004 . 1 . . . . . 70 Thr H . 19466 1 300 . 1 1 70 70 THR C C 13 175.881 0.000 . 1 . . . . . 70 Thr C . 19466 1 301 . 1 1 70 70 THR CA C 13 60.385 0.021 . 1 . . . . . 70 Thr CA . 19466 1 302 . 1 1 70 70 THR CB C 13 71.759 0.024 . 1 . . . . . 70 Thr CB . 19466 1 303 . 1 1 70 70 THR N N 15 111.422 0.043 . 1 . . . . . 70 Thr N . 19466 1 304 . 1 1 71 71 LYS H H 1 8.951 0.005 . 1 . . . . . 71 Lys H . 19466 1 305 . 1 1 71 71 LYS C C 13 177.073 0.000 . 1 . . . . . 71 Lys C . 19466 1 306 . 1 1 71 71 LYS CA C 13 59.827 0.040 . 1 . . . . . 71 Lys CA . 19466 1 307 . 1 1 71 71 LYS CB C 13 31.541 0.000 . 1 . . . . . 71 Lys CB . 19466 1 308 . 1 1 71 71 LYS N N 15 118.625 0.095 . 1 . . . . . 71 Lys N . 19466 1 309 . 1 1 72 72 VAL H H 1 7.198 0.003 . 1 . . . . . 72 Val H . 19466 1 310 . 1 1 72 72 VAL C C 13 177.977 0.000 . 1 . . . . . 72 Val C . 19466 1 311 . 1 1 72 72 VAL CA C 13 65.232 0.034 . 1 . . . . . 72 Val CA . 19466 1 312 . 1 1 72 72 VAL CB C 13 31.978 0.025 . 1 . . . . . 72 Val CB . 19466 1 313 . 1 1 72 72 VAL N N 15 117.481 0.055 . 1 . . . . . 72 Val N . 19466 1 314 . 1 1 73 73 GLU H H 1 7.514 0.005 . 1 . . . . . 73 Glu H . 19466 1 315 . 1 1 73 73 GLU C C 13 180.168 0.000 . 1 . . . . . 73 Glu C . 19466 1 316 . 1 1 73 73 GLU CA C 13 59.194 0.019 . 1 . . . . . 73 Glu CA . 19466 1 317 . 1 1 73 73 GLU CB C 13 30.467 0.000 . 1 . . . . . 73 Glu CB . 19466 1 318 . 1 1 73 73 GLU N N 15 120.192 0.028 . 1 . . . . . 73 Glu N . 19466 1 319 . 1 1 74 74 VAL H H 1 8.410 0.013 . 1 . . . . . 74 Val H . 19466 1 320 . 1 1 74 74 VAL C C 13 176.747 0.000 . 1 . . . . . 74 Val C . 19466 1 321 . 1 1 74 74 VAL CA C 13 66.976 0.019 . 1 . . . . . 74 Val CA . 19466 1 322 . 1 1 74 74 VAL CB C 13 31.440 0.000 . 1 . . . . . 74 Val CB . 19466 1 323 . 1 1 74 74 VAL N N 15 120.778 0.202 . 1 . . . . . 74 Val N . 19466 1 324 . 1 1 75 75 ALA H H 1 8.113 0.004 . 1 . . . . . 75 Ala H . 19466 1 325 . 1 1 75 75 ALA C C 13 179.924 0.000 . 1 . . . . . 75 Ala C . 19466 1 326 . 1 1 75 75 ALA CA C 13 55.887 0.018 . 1 . . . . . 75 Ala CA . 19466 1 327 . 1 1 75 75 ALA CB C 13 17.407 0.091 . 1 . . . . . 75 Ala CB . 19466 1 328 . 1 1 75 75 ALA N N 15 122.363 0.047 . 1 . . . . . 75 Ala N . 19466 1 329 . 1 1 76 76 LYS H H 1 7.989 0.003 . 1 . . . . . 76 Lys H . 19466 1 330 . 1 1 76 76 LYS C C 13 178.285 0.000 . 1 . . . . . 76 Lys C . 19466 1 331 . 1 1 76 76 LYS CA C 13 59.272 0.023 . 1 . . . . . 76 Lys CA . 19466 1 332 . 1 1 76 76 LYS CB C 13 32.103 0.072 . 1 . . . . . 76 Lys CB . 19466 1 333 . 1 1 76 76 LYS N N 15 117.131 0.107 . 1 . . . . . 76 Lys N . 19466 1 334 . 1 1 77 77 MET H H 1 8.022 0.002 . 1 . . . . . 77 Met H . 19466 1 335 . 1 1 77 77 MET C C 13 178.944 0.000 . 1 . . . . . 77 Met C . 19466 1 336 . 1 1 77 77 MET CA C 13 59.109 0.027 . 1 . . . . . 77 Met CA . 19466 1 337 . 1 1 77 77 MET CB C 13 33.737 0.021 . 1 . . . . . 77 Met CB . 19466 1 338 . 1 1 77 77 MET N N 15 118.781 0.035 . 1 . . . . . 77 Met N . 19466 1 339 . 1 1 78 78 ILE H H 1 7.988 0.003 . 1 . . . . . 78 Ile H . 19466 1 340 . 1 1 78 78 ILE C C 13 178.849 0.000 . 1 . . . . . 78 Ile C . 19466 1 341 . 1 1 78 78 ILE CA C 13 65.915 0.050 . 1 . . . . . 78 Ile CA . 19466 1 342 . 1 1 78 78 ILE CB C 13 37.939 0.000 . 1 . . . . . 78 Ile CB . 19466 1 343 . 1 1 78 78 ILE N N 15 118.212 0.053 . 1 . . . . . 78 Ile N . 19466 1 344 . 1 1 79 79 GLN H H 1 8.633 0.005 . 1 . . . . . 79 Gln H . 19466 1 345 . 1 1 79 79 GLN C C 13 178.400 0.000 . 1 . . . . . 79 Gln C . 19466 1 346 . 1 1 79 79 GLN CA C 13 59.019 0.010 . 1 . . . . . 79 Gln CA . 19466 1 347 . 1 1 79 79 GLN CB C 13 28.760 0.055 . 1 . . . . . 79 Gln CB . 19466 1 348 . 1 1 79 79 GLN N N 15 121.315 0.035 . 1 . . . . . 79 Gln N . 19466 1 349 . 1 1 80 80 GLU H H 1 8.005 0.004 . 1 . . . . . 80 Glu H . 19466 1 350 . 1 1 80 80 GLU C C 13 176.947 0.000 . 1 . . . . . 80 Glu C . 19466 1 351 . 1 1 80 80 GLU CA C 13 57.855 0.018 . 1 . . . . . 80 Glu CA . 19466 1 352 . 1 1 80 80 GLU CB C 13 29.994 0.015 . 1 . . . . . 80 Glu CB . 19466 1 353 . 1 1 80 80 GLU N N 15 115.388 0.070 . 1 . . . . . 80 Glu N . 19466 1 354 . 1 1 81 81 VAL H H 1 7.214 0.002 . 1 . . . . . 81 Val H . 19466 1 355 . 1 1 81 81 VAL C C 13 175.743 0.000 . 1 . . . . . 81 Val C . 19466 1 356 . 1 1 81 81 VAL CA C 13 63.212 0.023 . 1 . . . . . 81 Val CA . 19466 1 357 . 1 1 81 81 VAL CB C 13 31.937 0.059 . 1 . . . . . 81 Val CB . 19466 1 358 . 1 1 81 81 VAL N N 15 120.040 0.042 . 1 . . . . . 81 Val N . 19466 1 359 . 1 1 82 82 LYS H H 1 8.688 0.005 . 1 . . . . . 82 Lys H . 19466 1 360 . 1 1 82 82 LYS C C 13 177.870 0.000 . 1 . . . . . 82 Lys C . 19466 1 361 . 1 1 82 82 LYS CA C 13 55.380 0.006 . 1 . . . . . 82 Lys CA . 19466 1 362 . 1 1 82 82 LYS CB C 13 32.687 0.066 . 1 . . . . . 82 Lys CB . 19466 1 363 . 1 1 82 82 LYS N N 15 127.581 0.042 . 1 . . . . . 82 Lys N . 19466 1 364 . 1 1 83 83 GLY H H 1 8.850 0.002 . 1 . . . . . 83 Gly H . 19466 1 365 . 1 1 83 83 GLY C C 13 173.649 0.000 . 1 . . . . . 83 Gly C . 19466 1 366 . 1 1 83 83 GLY CA C 13 46.949 0.065 . 1 . . . . . 83 Gly CA . 19466 1 367 . 1 1 83 83 GLY N N 15 112.157 0.030 . 1 . . . . . 83 Gly N . 19466 1 368 . 1 1 84 84 GLU H H 1 8.347 0.013 . 1 . . . . . 84 Glu H . 19466 1 369 . 1 1 84 84 GLU C C 13 173.803 0.000 . 1 . . . . . 84 Glu C . 19466 1 370 . 1 1 84 84 GLU CA C 13 55.319 0.045 . 1 . . . . . 84 Glu CA . 19466 1 371 . 1 1 84 84 GLU CB C 13 31.710 0.035 . 1 . . . . . 84 Glu CB . 19466 1 372 . 1 1 84 84 GLU N N 15 121.757 0.052 . 1 . . . . . 84 Glu N . 19466 1 373 . 1 1 85 85 VAL H H 1 9.056 0.005 . 1 . . . . . 85 Val H . 19466 1 374 . 1 1 85 85 VAL C C 13 172.421 0.000 . 1 . . . . . 85 Val C . 19466 1 375 . 1 1 85 85 VAL CA C 13 59.937 0.013 . 1 . . . . . 85 Val CA . 19466 1 376 . 1 1 85 85 VAL CB C 13 35.461 0.000 . 1 . . . . . 85 Val CB . 19466 1 377 . 1 1 85 85 VAL N N 15 119.551 0.089 . 1 . . . . . 85 Val N . 19466 1 378 . 1 1 86 86 THR H H 1 9.311 0.006 . 1 . . . . . 86 Thr H . 19466 1 379 . 1 1 86 86 THR C C 13 173.796 0.000 . 1 . . . . . 86 Thr C . 19466 1 380 . 1 1 86 86 THR CA C 13 61.724 0.046 . 1 . . . . . 86 Thr CA . 19466 1 381 . 1 1 86 86 THR CB C 13 69.402 0.000 . 1 . . . . . 86 Thr CB . 19466 1 382 . 1 1 86 86 THR N N 15 125.184 0.050 . 1 . . . . . 86 Thr N . 19466 1 383 . 1 1 87 87 ILE H H 1 9.327 0.006 . 1 . . . . . 87 Ile H . 19466 1 384 . 1 1 87 87 ILE C C 13 174.591 0.000 . 1 . . . . . 87 Ile C . 19466 1 385 . 1 1 87 87 ILE CA C 13 58.445 0.082 . 1 . . . . . 87 Ile CA . 19466 1 386 . 1 1 87 87 ILE CB C 13 38.662 0.000 . 1 . . . . . 87 Ile CB . 19466 1 387 . 1 1 87 87 ILE N N 15 128.273 0.111 . 1 . . . . . 87 Ile N . 19466 1 388 . 1 1 88 88 HIS H H 1 8.623 0.005 . 1 . . . . . 88 His H . 19466 1 389 . 1 1 88 88 HIS C C 13 174.667 0.000 . 1 . . . . . 88 His C . 19466 1 390 . 1 1 88 88 HIS CA C 13 54.561 0.000 . 1 . . . . . 88 His CA . 19466 1 391 . 1 1 88 88 HIS N N 15 128.057 0.050 . 1 . . . . . 88 His N . 19466 1 392 . 1 1 89 89 TYR H H 1 8.380 0.010 . 1 . . . . . 89 Tyr H . 19466 1 393 . 1 1 89 89 TYR C C 13 174.010 0.000 . 1 . . . . . 89 Tyr C . 19466 1 394 . 1 1 89 89 TYR CA C 13 55.621 0.035 . 1 . . . . . 89 Tyr CA . 19466 1 395 . 1 1 89 89 TYR CB C 13 42.317 0.002 . 1 . . . . . 89 Tyr CB . 19466 1 396 . 1 1 89 89 TYR N N 15 121.158 0.184 . 1 . . . . . 89 Tyr N . 19466 1 397 . 1 1 90 90 ASN H H 1 9.157 0.007 . 1 . . . . . 90 Asn H . 19466 1 398 . 1 1 90 90 ASN C C 13 175.431 0.000 . 1 . . . . . 90 Asn C . 19466 1 399 . 1 1 90 90 ASN CA C 13 52.034 0.044 . 1 . . . . . 90 Asn CA . 19466 1 400 . 1 1 90 90 ASN CB C 13 42.077 0.000 . 1 . . . . . 90 Asn CB . 19466 1 401 . 1 1 90 90 ASN N N 15 116.375 0.068 . 1 . . . . . 90 Asn N . 19466 1 402 . 1 1 91 91 LYS H H 1 8.995 0.007 . 1 . . . . . 91 Lys H . 19466 1 403 . 1 1 91 91 LYS C C 13 176.847 0.000 . 1 . . . . . 91 Lys C . 19466 1 404 . 1 1 91 91 LYS CA C 13 54.898 0.045 . 1 . . . . . 91 Lys CA . 19466 1 405 . 1 1 91 91 LYS CB C 13 32.608 0.000 . 1 . . . . . 91 Lys CB . 19466 1 406 . 1 1 91 91 LYS N N 15 123.449 0.067 . 1 . . . . . 91 Lys N . 19466 1 407 . 1 1 92 92 LEU H H 1 9.148 0.005 . 1 . . . . . 92 Leu H . 19466 1 408 . 1 1 92 92 LEU CA C 13 54.925 0.067 . 1 . . . . . 92 Leu CA . 19466 1 409 . 1 1 92 92 LEU CB C 13 42.774 0.000 . 1 . . . . . 92 Leu CB . 19466 1 410 . 1 1 92 92 LEU N N 15 126.378 0.049 . 1 . . . . . 92 Leu N . 19466 1 411 . 1 1 93 93 GLN H H 1 8.508 0.006 . 1 . . . . . 93 Gln H . 19466 1 412 . 1 1 93 93 GLN C C 13 175.303 0.000 . 1 . . . . . 93 Gln C . 19466 1 413 . 1 1 93 93 GLN CA C 13 55.529 0.033 . 1 . . . . . 93 Gln CA . 19466 1 414 . 1 1 93 93 GLN CB C 13 29.272 0.040 . 1 . . . . . 93 Gln CB . 19466 1 415 . 1 1 93 93 GLN N N 15 121.995 0.068 . 1 . . . . . 93 Gln N . 19466 1 416 . 1 1 94 94 ALA H H 1 8.315 0.004 . 1 . . . . . 94 Ala H . 19466 1 417 . 1 1 94 94 ALA C C 13 176.528 0.000 . 1 . . . . . 94 Ala C . 19466 1 418 . 1 1 94 94 ALA CA C 13 51.893 0.017 . 1 . . . . . 94 Ala CA . 19466 1 419 . 1 1 94 94 ALA CB C 13 19.939 0.020 . 1 . . . . . 94 Ala CB . 19466 1 420 . 1 1 94 94 ALA N N 15 125.012 0.065 . 1 . . . . . 94 Ala N . 19466 1 421 . 1 1 95 95 ASP H H 1 8.450 0.004 . 1 . . . . . 95 Asp H . 19466 1 422 . 1 1 95 95 ASP CB C 13 41.674 0.010 . 1 . . . . . 95 Asp CB . 19466 1 423 . 1 1 95 95 ASP N N 15 121.877 0.059 . 1 . . . . . 95 Asp N . 19466 1 424 . 1 1 96 96 PRO C C 13 178.438 0.000 . 1 . . . . . 96 Pro C . 19466 1 425 . 1 1 96 96 PRO CA C 13 64.869 0.000 . 1 . . . . . 96 Pro CA . 19466 1 426 . 1 1 96 96 PRO CB C 13 32.236 0.000 . 1 . . . . . 96 Pro CB . 19466 1 427 . 1 1 97 97 LYS H H 1 8.387 0.003 . 1 . . . . . 97 Lys H . 19466 1 428 . 1 1 97 97 LYS C C 13 178.271 0.000 . 1 . . . . . 97 Lys C . 19466 1 429 . 1 1 97 97 LYS CA C 13 57.777 0.019 . 1 . . . . . 97 Lys CA . 19466 1 430 . 1 1 97 97 LYS CB C 13 31.813 0.037 . 1 . . . . . 97 Lys CB . 19466 1 431 . 1 1 97 97 LYS N N 15 118.159 0.101 . 1 . . . . . 97 Lys N . 19466 1 432 . 1 1 98 98 GLN H H 1 7.922 0.002 . 1 . . . . . 98 Gln H . 19466 1 433 . 1 1 98 98 GLN C C 13 177.298 0.000 . 1 . . . . . 98 Gln C . 19466 1 434 . 1 1 98 98 GLN CA C 13 57.012 0.000 . 1 . . . . . 98 Gln CA . 19466 1 435 . 1 1 98 98 GLN CB C 13 28.806 0.067 . 1 . . . . . 98 Gln CB . 19466 1 436 . 1 1 98 98 GLN N N 15 119.000 0.044 . 1 . . . . . 98 Gln N . 19466 1 437 . 1 1 99 99 LEU H H 1 7.919 0.004 . 1 . . . . . 99 Leu H . 19466 1 438 . 1 1 99 99 LEU C C 13 177.861 0.000 . 1 . . . . . 99 Leu C . 19466 1 439 . 1 1 99 99 LEU CA C 13 56.475 0.016 . 1 . . . . . 99 Leu CA . 19466 1 440 . 1 1 99 99 LEU CB C 13 41.755 0.000 . 1 . . . . . 99 Leu CB . 19466 1 441 . 1 1 99 99 LEU N N 15 120.221 0.052 . 1 . . . . . 99 Leu N . 19466 1 442 . 1 1 100 100 GLU H H 1 7.942 0.005 . 1 . . . . . 100 Glu H . 19466 1 443 . 1 1 100 100 GLU C C 13 177.705 0.000 . 1 . . . . . 100 Glu C . 19466 1 444 . 1 1 100 100 GLU CA C 13 58.268 0.040 . 1 . . . . . 100 Glu CA . 19466 1 445 . 1 1 100 100 GLU CB C 13 29.833 0.084 . 1 . . . . . 100 Glu CB . 19466 1 446 . 1 1 100 100 GLU N N 15 119.154 0.064 . 1 . . . . . 100 Glu N . 19466 1 447 . 1 1 101 101 VAL H H 1 7.636 0.009 . 1 . . . . . 101 Val H . 19466 1 448 . 1 1 101 101 VAL C C 13 177.161 0.000 . 1 . . . . . 101 Val C . 19466 1 449 . 1 1 101 101 VAL CA C 13 63.786 0.026 . 1 . . . . . 101 Val CA . 19466 1 450 . 1 1 101 101 VAL CB C 13 32.213 0.000 . 1 . . . . . 101 Val CB . 19466 1 451 . 1 1 101 101 VAL N N 15 118.032 0.079 . 1 . . . . . 101 Val N . 19466 1 452 . 1 1 102 102 LEU H H 1 7.869 0.007 . 1 . . . . . 102 Leu H . 19466 1 453 . 1 1 102 102 LEU C C 13 177.712 0.000 . 1 . . . . . 102 Leu C . 19466 1 454 . 1 1 102 102 LEU CA C 13 56.054 0.035 . 1 . . . . . 102 Leu CA . 19466 1 455 . 1 1 102 102 LEU CB C 13 42.278 0.106 . 1 . . . . . 102 Leu CB . 19466 1 456 . 1 1 102 102 LEU N N 15 121.859 0.091 . 1 . . . . . 102 Leu N . 19466 1 457 . 1 1 103 103 PHE H H 1 7.979 0.008 . 1 . . . . . 103 Phe H . 19466 1 458 . 1 1 103 103 PHE C C 13 175.735 0.000 . 1 . . . . . 103 Phe C . 19466 1 459 . 1 1 103 103 PHE CA C 13 57.440 0.033 . 1 . . . . . 103 Phe CA . 19466 1 460 . 1 1 103 103 PHE CB C 13 39.189 0.042 . 1 . . . . . 103 Phe CB . 19466 1 461 . 1 1 103 103 PHE N N 15 117.760 0.085 . 1 . . . . . 103 Phe N . 19466 1 462 . 1 1 104 104 GLN H H 1 8.001 0.006 . 1 . . . . . 104 Gln H . 19466 1 463 . 1 1 104 104 GLN C C 13 175.894 0.000 . 1 . . . . . 104 Gln C . 19466 1 464 . 1 1 104 104 GLN CA C 13 55.676 0.020 . 1 . . . . . 104 Gln CA . 19466 1 465 . 1 1 104 104 GLN CB C 13 29.543 0.025 . 1 . . . . . 104 Gln CB . 19466 1 466 . 1 1 104 104 GLN N N 15 120.287 0.057 . 1 . . . . . 104 Gln N . 19466 1 467 . 1 1 105 105 GLY H H 1 8.015 0.007 . 1 . . . . . 105 Gly H . 19466 1 468 . 1 1 105 105 GLY CA C 13 45.000 0.053 . 1 . . . . . 105 Gly CA . 19466 1 469 . 1 1 105 105 GLY N N 15 109.514 0.146 . 1 . . . . . 105 Gly N . 19466 1 470 . 1 1 107 107 ALA C C 13 177.913 0.000 . 1 . . . . . 107 Ala C . 19466 1 471 . 1 1 107 107 ALA CA C 13 52.660 0.000 . 1 . . . . . 107 Ala CA . 19466 1 472 . 1 1 107 107 ALA CB C 13 18.957 0.000 . 1 . . . . . 107 Ala CB . 19466 1 473 . 1 1 108 108 ARG H H 1 8.329 0.008 . 1 . . . . . 108 Arg H . 19466 1 474 . 1 1 108 108 ARG CA C 13 56.476 0.000 . 1 . . . . . 108 Arg CA . 19466 1 475 . 1 1 108 108 ARG N N 15 120.159 0.093 . 1 . . . . . 108 Arg N . 19466 1 476 . 1 1 109 109 GLY C C 13 174.234 0.000 . 1 . . . . . 109 Gly C . 19466 1 477 . 1 1 109 109 GLY CA C 13 45.242 0.000 . 1 . . . . . 109 Gly CA . 19466 1 478 . 1 1 110 110 THR H H 1 8.074 0.004 . 1 . . . . . 110 Thr H . 19466 1 479 . 1 1 110 110 THR N N 15 113.144 0.087 . 1 . . . . . 110 Thr N . 19466 1 480 . 1 1 112 112 GLU CA C 13 56.690 0.000 . 1 . . . . . 112 Glu CA . 19466 1 481 . 1 1 112 112 GLU CB C 13 30.442 0.000 . 1 . . . . . 112 Glu CB . 19466 1 482 . 1 1 113 113 ASP H H 1 8.181 0.004 . 1 . . . . . 113 Asp H . 19466 1 483 . 1 1 113 113 ASP CA C 13 54.365 0.067 . 1 . . . . . 113 Asp CA . 19466 1 484 . 1 1 113 113 ASP CB C 13 41.429 0.163 . 1 . . . . . 113 Asp CB . 19466 1 485 . 1 1 113 113 ASP N N 15 120.593 0.070 . 1 . . . . . 113 Asp N . 19466 1 486 . 1 1 114 114 PHE H H 1 8.580 0.003 . 1 . . . . . 114 Phe H . 19466 1 487 . 1 1 114 114 PHE C C 13 174.527 0.000 . 1 . . . . . 114 Phe C . 19466 1 488 . 1 1 114 114 PHE CA C 13 56.945 0.000 . 1 . . . . . 114 Phe CA . 19466 1 489 . 1 1 114 114 PHE N N 15 120.980 0.125 . 1 . . . . . 114 Phe N . 19466 1 490 . 1 1 115 115 THR H H 1 8.009 0.006 . 1 . . . . . 115 Thr H . 19466 1 491 . 1 1 115 115 THR C C 13 173.584 0.000 . 1 . . . . . 115 Thr C . 19466 1 492 . 1 1 115 115 THR CA C 13 61.482 0.076 . 1 . . . . . 115 Thr CA . 19466 1 493 . 1 1 115 115 THR CB C 13 70.551 0.105 . 1 . . . . . 115 Thr CB . 19466 1 494 . 1 1 115 115 THR N N 15 116.275 0.090 . 1 . . . . . 115 Thr N . 19466 1 495 . 1 1 116 116 CYS H H 1 9.262 0.006 . 1 . . . . . 116 Cys H . 19466 1 496 . 1 1 116 116 CYS HG H 1 3.060 0.000 . 1 . . . . . 116 Cys HG . 19466 1 497 . 1 1 116 116 CYS CA C 13 58.871 0.014 . 1 . . . . . 116 Cys CA . 19466 1 498 . 1 1 116 116 CYS CB C 13 30.261 0.046 . 1 . . . . . 116 Cys CB . 19466 1 499 . 1 1 116 116 CYS N N 15 123.415 0.099 . 1 . . . . . 116 Cys N . 19466 1 stop_ save_ save_PICK1_PDZ_ASIC1a_C-terminal_minor_state _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PICK1_PDZ_ASIC1a_C-terminal_minor_state _Assigned_chem_shift_list.Entry_ID 19466 _Assigned_chem_shift_list.ID 2 _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 $DSS _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' . . . 19466 2 2 '3D HNCO_NLS' . . . 19466 2 3 '3D HNCA_NLS' . . . 19466 2 4 '3D CBCA(CO)NH_NLS' . . . 19466 2 5 '3D HN(CO)CA_NLS' . . . 19466 2 6 '3D HNCACB_NLS' . . . 19466 2 7 '3D HCCH-TOCSY_NLS' . . . 19466 2 8 '3D H(CCO)NH_NLS' . . . 19466 2 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 19 19 ASN H H 1 8.473 0.015 . 1 . . . . . 19 Asn H . 19466 2 2 . 1 1 19 19 ASN CA C 13 51.182 0.000 . 1 . . . . . 19 Asn CA . 19466 2 3 . 1 1 19 19 ASN N N 15 114.242 0.021 . 1 . . . . . 19 Asn N . 19466 2 4 . 1 1 20 20 LEU C C 13 176.015 0.000 . 1 . . . . . 20 Leu C . 19466 2 5 . 1 1 20 20 LEU CA C 13 54.347 0.000 . 1 . . . . . 20 Leu CA . 19466 2 6 . 1 1 20 20 LEU CB C 13 40.984 0.000 . 1 . . . . . 20 Leu CB . 19466 2 7 . 1 1 21 21 ILE H H 1 8.175 0.007 . 1 . . . . . 21 Ile H . 19466 2 8 . 1 1 21 21 ILE CA C 13 58.589 0.000 . 1 . . . . . 21 Ile CA . 19466 2 9 . 1 1 21 21 ILE N N 15 121.713 0.077 . 1 . . . . . 21 Ile N . 19466 2 10 . 1 1 22 22 GLY H H 1 10.046 0.005 . 1 . . . . . 22 Gly H . 19466 2 11 . 1 1 22 22 GLY CA C 13 45.062 0.000 . 1 . . . . . 22 Gly CA . 19466 2 12 . 1 1 22 22 GLY N N 15 112.679 0.030 . 1 . . . . . 22 Gly N . 19466 2 13 . 1 1 23 23 ILE H H 1 8.075 0.001 . 1 . . . . . 23 Ile H . 19466 2 14 . 1 1 23 23 ILE C C 13 174.388 0.196 . 1 . . . . . 23 Ile C . 19466 2 15 . 1 1 23 23 ILE N N 15 112.560 3.190 . 1 . . . . . 23 Ile N . 19466 2 16 . 1 1 24 24 SER C C 13 175.021 0.000 . 1 . . . . . 24 Ser C . 19466 2 17 . 1 1 25 25 ILE H H 1 8.819 0.000 . 1 . . . . . 25 Ile H . 19466 2 18 . 1 1 25 25 ILE N N 15 123.963 0.006 . 1 . . . . . 25 Ile N . 19466 2 19 . 1 1 26 26 GLY CA C 13 172.196 0.000 . 1 . . . . . 26 Gly CA . 19466 2 20 . 1 1 27 27 GLY H H 1 8.534 0.001 . 1 . . . . . 27 Gly H . 19466 2 21 . 1 1 27 27 GLY N N 15 106.213 0.041 . 1 . . . . . 27 Gly N . 19466 2 22 . 1 1 28 28 GLY H H 1 8.501 0.000 . 1 . . . . . 28 Gly H . 19466 2 23 . 1 1 28 28 GLY N N 15 109.876 0.000 . 1 . . . . . 28 Gly N . 19466 2 24 . 1 1 36 36 TYR H H 1 8.516 0.003 . 1 . . . . . 36 Tyr H . 19466 2 25 . 1 1 36 36 TYR CA C 13 54.217 0.000 . 1 . . . . . 36 Tyr CA . 19466 2 26 . 1 1 36 36 TYR N N 15 117.352 0.060 . 1 . . . . . 36 Tyr N . 19466 2 27 . 1 1 38 38 VAL H H 1 8.938 0.000 . 1 . . . . . 38 Val H . 19466 2 28 . 1 1 38 38 VAL CA C 13 62.965 0.000 . 1 . . . . . 38 Val CA . 19466 2 29 . 1 1 38 38 VAL N N 15 127.258 0.000 . 1 . . . . . 38 Val N . 19466 2 30 . 1 1 39 39 GLN H H 1 7.228 0.001 . 1 . . . . . 39 Gln H . 19466 2 31 . 1 1 39 39 GLN CA C 13 55.441 0.000 . 1 . . . . . 39 Gln CA . 19466 2 32 . 1 1 39 39 GLN N N 15 116.865 0.049 . 1 . . . . . 39 Gln N . 19466 2 33 . 1 1 42 42 ASP CB C 13 41.947 0.000 . 1 . . . . . 42 Asp CB . 19466 2 34 . 1 1 43 43 ASN H H 1 9.250 0.009 . 1 . . . . . 43 Asn H . 19466 2 35 . 1 1 43 43 ASN N N 15 114.119 0.169 . 1 . . . . . 43 Asn N . 19466 2 36 . 1 1 46 46 ALA H H 1 9.302 0.002 . 1 . . . . . 46 Ala H . 19466 2 37 . 1 1 46 46 ALA CA C 13 56.524 0.000 . 1 . . . . . 46 Ala CA . 19466 2 38 . 1 1 46 46 ALA N N 15 117.257 0.073 . 1 . . . . . 46 Ala N . 19466 2 39 . 1 1 52 52 VAL H H 1 8.156 0.000 . 1 . . . . . 52 Val H . 19466 2 40 . 1 1 52 52 VAL N N 15 114.042 0.000 . 1 . . . . . 52 Val N . 19466 2 41 . 1 1 57 57 GLU C C 13 176.155 0.000 . 1 . . . . . 57 Glu C . 19466 2 42 . 1 1 58 58 ILE H H 1 8.507 0.005 . 1 . . . . . 58 Ile H . 19466 2 43 . 1 1 58 58 ILE CA C 13 59.641 0.000 . 1 . . . . . 58 Ile CA . 19466 2 44 . 1 1 58 58 ILE N N 15 125.479 0.088 . 1 . . . . . 58 Ile N . 19466 2 45 . 1 1 59 59 THR H H 1 9.151 0.001 . 1 . . . . . 59 Thr H . 19466 2 46 . 1 1 59 59 THR N N 15 115.550 0.184 . 1 . . . . . 59 Thr N . 19466 2 47 . 1 1 70 70 THR H H 1 9.053 0.004 . 1 . . . . . 70 Thr H . 19466 2 48 . 1 1 70 70 THR CA C 13 59.744 0.000 . 1 . . . . . 70 Thr CA . 19466 2 49 . 1 1 70 70 THR N N 15 111.322 0.116 . 1 . . . . . 70 Thr N . 19466 2 50 . 1 1 71 71 LYS C C 13 176.178 0.000 . 1 . . . . . 71 Lys C . 19466 2 51 . 1 1 71 71 LYS CA C 13 56.706 0.000 . 1 . . . . . 71 Lys CA . 19466 2 52 . 1 1 71 71 LYS CB C 13 32.854 0.000 . 1 . . . . . 71 Lys CB . 19466 2 53 . 1 1 72 72 VAL H H 1 8.264 0.004 . 1 . . . . . 72 Val H . 19466 2 54 . 1 1 72 72 VAL CA C 13 61.170 0.000 . 1 . . . . . 72 Val CA . 19466 2 55 . 1 1 72 72 VAL N N 15 122.645 0.025 . 1 . . . . . 72 Val N . 19466 2 56 . 1 1 75 75 ALA H H 1 8.149 0.004 . 1 . . . . . 75 Ala H . 19466 2 57 . 1 1 75 75 ALA CA C 13 55.936 0.000 . 1 . . . . . 75 Ala CA . 19466 2 58 . 1 1 75 75 ALA N N 15 122.632 0.006 . 1 . . . . . 75 Ala N . 19466 2 59 . 1 1 76 76 LYS CB C 13 32.031 0.000 . 1 . . . . . 76 Lys CB . 19466 2 60 . 1 1 77 77 MET H H 1 8.030 0.006 . 1 . . . . . 77 Met H . 19466 2 61 . 1 1 77 77 MET CA C 13 55.717 0.000 . 1 . . . . . 77 Met CA . 19466 2 62 . 1 1 77 77 MET N N 15 118.684 0.101 . 1 . . . . . 77 Met N . 19466 2 63 . 1 1 80 80 GLU H H 1 7.998 0.014 . 1 . . . . . 80 Glu H . 19466 2 64 . 1 1 80 80 GLU CA C 13 57.890 0.000 . 1 . . . . . 80 Glu CA . 19466 2 65 . 1 1 80 80 GLU N N 15 115.378 0.085 . 1 . . . . . 80 Glu N . 19466 2 66 . 1 1 89 89 TYR CA C 13 52.157 0.000 . 1 . . . . . 89 Tyr CA . 19466 2 67 . 1 1 90 90 ASN H H 1 9.107 0.002 . 1 . . . . . 90 Asn H . 19466 2 68 . 1 1 90 90 ASN CA C 13 52.085 0.064 . 1 . . . . . 90 Asn CA . 19466 2 69 . 1 1 90 90 ASN N N 15 116.451 0.032 . 1 . . . . . 90 Asn N . 19466 2 70 . 1 1 93 93 GLN C C 13 175.408 0.000 . 1 . . . . . 93 Gln C . 19466 2 71 . 1 1 94 94 ALA H H 1 8.249 0.002 . 1 . . . . . 94 Ala H . 19466 2 72 . 1 1 94 94 ALA N N 15 125.318 0.003 . 1 . . . . . 94 Ala N . 19466 2 73 . 1 1 96 96 PRO C C 13 176.034 0.000 . 1 . . . . . 96 Pro C . 19466 2 74 . 1 1 96 96 PRO CA C 13 63.401 0.000 . 1 . . . . . 96 Pro CA . 19466 2 75 . 1 1 97 97 LYS H H 1 8.099 0.006 . 1 . . . . . 97 Lys H . 19466 2 76 . 1 1 97 97 LYS CA C 13 57.367 0.000 . 1 . . . . . 97 Lys CA . 19466 2 77 . 1 1 97 97 LYS N N 15 127.020 0.039 . 1 . . . . . 97 Lys N . 19466 2 78 . 1 1 100 100 GLU C C 13 177.702 0.000 . 1 . . . . . 100 Glu C . 19466 2 79 . 1 1 100 100 GLU CA C 13 56.497 0.000 . 1 . . . . . 100 Glu CA . 19466 2 80 . 1 1 101 101 VAL H H 1 7.570 0.005 . 1 . . . . . 101 Val H . 19466 2 81 . 1 1 101 101 VAL CA C 13 64.051 0.000 . 1 . . . . . 101 Val CA . 19466 2 82 . 1 1 101 101 VAL N N 15 118.169 0.157 . 1 . . . . . 101 Val N . 19466 2 83 . 1 1 112 112 GLU CA C 13 56.788 0.000 . 1 . . . . . 112 Glu CA . 19466 2 84 . 1 1 113 113 ASP H H 1 8.142 0.003 . 1 . . . . . 113 Asp H . 19466 2 85 . 1 1 113 113 ASP C C 13 175.513 0.000 . 1 . . . . . 113 Asp C . 19466 2 86 . 1 1 113 113 ASP CA C 13 56.071 0.000 . 1 . . . . . 113 Asp CA . 19466 2 87 . 1 1 113 113 ASP CB C 13 41.228 0.000 . 1 . . . . . 113 Asp CB . 19466 2 88 . 1 1 113 113 ASP N N 15 120.252 0.048 . 1 . . . . . 113 Asp N . 19466 2 89 . 1 1 114 114 PHE H H 1 8.239 0.004 . 1 . . . . . 114 Phe H . 19466 2 90 . 1 1 114 114 PHE CA C 13 57.663 0.054 . 1 . . . . . 114 Phe CA . 19466 2 91 . 1 1 114 114 PHE CB C 13 39.739 0.000 . 1 . . . . . 114 Phe CB . 19466 2 92 . 1 1 114 114 PHE N N 15 120.940 0.164 . 1 . . . . . 114 Phe N . 19466 2 93 . 1 1 115 115 THR H H 1 8.261 0.001 . 1 . . . . . 115 Thr H . 19466 2 94 . 1 1 115 115 THR CA C 13 61.968 0.000 . 1 . . . . . 115 Thr CA . 19466 2 95 . 1 1 115 115 THR CB C 13 70.051 0.000 . 1 . . . . . 115 Thr CB . 19466 2 96 . 1 1 115 115 THR N N 15 116.226 0.101 . 1 . . . . . 115 Thr N . 19466 2 97 . 1 1 116 116 CYS H H 1 8.007 0.003 . 1 . . . . . 116 Cys H . 19466 2 98 . 1 1 116 116 CYS CA C 13 59.439 0.000 . 1 . . . . . 116 Cys CA . 19466 2 99 . 1 1 116 116 CYS N N 15 125.329 0.020 . 1 . . . . . 116 Cys N . 19466 2 stop_ save_