data_52447 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52447 _Entry.Title ; Backbone [1H, 13C, 15N] Chemical Shift Assignment for LpAFP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-05-08 _Entry.Accession_date 2024-05-08 _Entry.Last_release_date 2024-05-08 _Entry.Original_release_date 2024-05-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 '0.6 mM LpAFP in 25 mM pH 6.0 sodium phosphate buffer / 10% D2O. Data acquisition at 25C using an Agilent 600 MHz spectrometer.' _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 Elias Bruss . M. . 0000-0003-1188-2849 52447 2 Hiroyuki Kumeta . . . 0000-0003-3713-2122 52447 3 Tatsuya Arai . . . 0000-0002-1399-0619 52447 4 Sakae Tsuda . . . 0000-0002-1399-0619 52447 5 Hidemasa Kondo . . . 0000-0003-2799-1775 52447 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Faculty of Pharmaceutical Sciences, Hokkaido University' . 52447 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52447 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 52447 '15N chemical shifts' 114 52447 '1H chemical shifts' 245 52447 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 . . 2024-06-25 . original BMRB . 52447 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ZIB 'X-Ray Structure' 52447 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52447 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Nanodisc titration reveals temperature-dependent membrane affinity of fish type II AFP ice binding site ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Elias Bruss . M. . . 52447 1 2 Hiroyuki Kumeta . . . . 52447 1 3 Tatsuya Arai . . . . 52447 1 4 Sakae Tsuda . . . . 52447 1 5 Hidemasa Kondo . . . . 52447 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Antifreeze Protein' 52447 1 NMR 52447 1 Nanodisc 52447 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52447 _Assembly.ID 1 _Assembly.Name LpAFP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 LpAFP 1 $entity_1 . . yes native no no . . . 52447 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52447 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; ALVCPAGWTLHGQRCFYSEA TAMTWDLAEANCVNKGGHLA SIHSLEEQLYIKDIVAGIVW IGGSACKVAGAWSWTDGTPV DYRTWCPTKPNDILSDCCMQ MTAAVDKCWDDLPCPASHAS ICAKAAI ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . ALA . 52447 1 2 . LEU . 52447 1 3 . VAL . 52447 1 4 . CYS . 52447 1 5 . PRO . 52447 1 6 . ALA . 52447 1 7 . GLY . 52447 1 8 . TRP . 52447 1 9 . THR . 52447 1 10 . LEU . 52447 1 11 . HIS . 52447 1 12 . GLY . 52447 1 13 . GLN . 52447 1 14 . ARG . 52447 1 15 . CYS . 52447 1 16 . PHE . 52447 1 17 . TYR . 52447 1 18 . SER . 52447 1 19 . GLU . 52447 1 20 . ALA . 52447 1 21 . THR . 52447 1 22 . ALA . 52447 1 23 . MET . 52447 1 24 . THR . 52447 1 25 . TRP . 52447 1 26 . ASP . 52447 1 27 . LEU . 52447 1 28 . ALA . 52447 1 29 . GLU . 52447 1 30 . ALA . 52447 1 31 . ASN . 52447 1 32 . CYS . 52447 1 33 . VAL . 52447 1 34 . ASN . 52447 1 35 . LYS . 52447 1 36 . GLY . 52447 1 37 . GLY . 52447 1 38 . HIS . 52447 1 39 . LEU . 52447 1 40 . ALA . 52447 1 41 . SER . 52447 1 42 . ILE . 52447 1 43 . HIS . 52447 1 44 . SER . 52447 1 45 . LEU . 52447 1 46 . GLU . 52447 1 47 . GLU . 52447 1 48 . GLN . 52447 1 49 . LEU . 52447 1 50 . TYR . 52447 1 51 . ILE . 52447 1 52 . LYS . 52447 1 53 . ASP . 52447 1 54 . ILE . 52447 1 55 . VAL . 52447 1 56 . ALA . 52447 1 57 . GLY . 52447 1 58 . ILE . 52447 1 59 . VAL . 52447 1 60 . TRP . 52447 1 61 . ILE . 52447 1 62 . GLY . 52447 1 63 . GLY . 52447 1 64 . SER . 52447 1 65 . ALA . 52447 1 66 . CYS . 52447 1 67 . LYS . 52447 1 68 . VAL . 52447 1 69 . ALA . 52447 1 70 . GLY . 52447 1 71 . ALA . 52447 1 72 . TRP . 52447 1 73 . SER . 52447 1 74 . TRP . 52447 1 75 . THR . 52447 1 76 . ASP . 52447 1 77 . GLY . 52447 1 78 . THR . 52447 1 79 . PRO . 52447 1 80 . VAL . 52447 1 81 . ASP . 52447 1 82 . TYR . 52447 1 83 . ARG . 52447 1 84 . THR . 52447 1 85 . TRP . 52447 1 86 . CYS . 52447 1 87 . PRO . 52447 1 88 . THR . 52447 1 89 . LYS . 52447 1 90 . PRO . 52447 1 91 . ASN . 52447 1 92 . ASP . 52447 1 93 . ILE . 52447 1 94 . LEU . 52447 1 95 . SER . 52447 1 96 . ASP . 52447 1 97 . CYS . 52447 1 98 . CYS . 52447 1 99 . MET . 52447 1 100 . GLN . 52447 1 101 . MET . 52447 1 102 . THR . 52447 1 103 . ALA . 52447 1 104 . ALA . 52447 1 105 . VAL . 52447 1 106 . ASP . 52447 1 107 . LYS . 52447 1 108 . CYS . 52447 1 109 . TRP . 52447 1 110 . ASP . 52447 1 111 . ASP . 52447 1 112 . LEU . 52447 1 113 . PRO . 52447 1 114 . CYS . 52447 1 115 . PRO . 52447 1 116 . ALA . 52447 1 117 . SER . 52447 1 118 . HIS . 52447 1 119 . ALA . 52447 1 120 . SER . 52447 1 121 . ILE . 52447 1 122 . CYS . 52447 1 123 . ALA . 52447 1 124 . LYS . 52447 1 125 . ALA . 52447 1 126 . ALA . 52447 1 127 . ILE . 52447 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 . ALA 1 1 52447 1 . LEU 2 2 52447 1 . VAL 3 3 52447 1 . CYS 4 4 52447 1 . PRO 5 5 52447 1 . ALA 6 6 52447 1 . GLY 7 7 52447 1 . TRP 8 8 52447 1 . THR 9 9 52447 1 . LEU 10 10 52447 1 . HIS 11 11 52447 1 . GLY 12 12 52447 1 . GLN 13 13 52447 1 . ARG 14 14 52447 1 . CYS 15 15 52447 1 . PHE 16 16 52447 1 . TYR 17 17 52447 1 . SER 18 18 52447 1 . GLU 19 19 52447 1 . ALA 20 20 52447 1 . THR 21 21 52447 1 . ALA 22 22 52447 1 . MET 23 23 52447 1 . THR 24 24 52447 1 . TRP 25 25 52447 1 . ASP 26 26 52447 1 . LEU 27 27 52447 1 . ALA 28 28 52447 1 . GLU 29 29 52447 1 . ALA 30 30 52447 1 . ASN 31 31 52447 1 . CYS 32 32 52447 1 . VAL 33 33 52447 1 . ASN 34 34 52447 1 . LYS 35 35 52447 1 . GLY 36 36 52447 1 . GLY 37 37 52447 1 . HIS 38 38 52447 1 . LEU 39 39 52447 1 . ALA 40 40 52447 1 . SER 41 41 52447 1 . ILE 42 42 52447 1 . HIS 43 43 52447 1 . SER 44 44 52447 1 . LEU 45 45 52447 1 . GLU 46 46 52447 1 . GLU 47 47 52447 1 . GLN 48 48 52447 1 . LEU 49 49 52447 1 . TYR 50 50 52447 1 . ILE 51 51 52447 1 . LYS 52 52 52447 1 . ASP 53 53 52447 1 . ILE 54 54 52447 1 . VAL 55 55 52447 1 . ALA 56 56 52447 1 . GLY 57 57 52447 1 . ILE 58 58 52447 1 . VAL 59 59 52447 1 . TRP 60 60 52447 1 . ILE 61 61 52447 1 . GLY 62 62 52447 1 . GLY 63 63 52447 1 . SER 64 64 52447 1 . ALA 65 65 52447 1 . CYS 66 66 52447 1 . LYS 67 67 52447 1 . VAL 68 68 52447 1 . ALA 69 69 52447 1 . GLY 70 70 52447 1 . ALA 71 71 52447 1 . TRP 72 72 52447 1 . SER 73 73 52447 1 . TRP 74 74 52447 1 . THR 75 75 52447 1 . ASP 76 76 52447 1 . GLY 77 77 52447 1 . THR 78 78 52447 1 . PRO 79 79 52447 1 . VAL 80 80 52447 1 . ASP 81 81 52447 1 . TYR 82 82 52447 1 . ARG 83 83 52447 1 . THR 84 84 52447 1 . TRP 85 85 52447 1 . CYS 86 86 52447 1 . PRO 87 87 52447 1 . THR 88 88 52447 1 . LYS 89 89 52447 1 . PRO 90 90 52447 1 . ASN 91 91 52447 1 . ASP 92 92 52447 1 . ILE 93 93 52447 1 . LEU 94 94 52447 1 . SER 95 95 52447 1 . ASP 96 96 52447 1 . CYS 97 97 52447 1 . CYS 98 98 52447 1 . MET 99 99 52447 1 . GLN 100 100 52447 1 . MET 101 101 52447 1 . THR 102 102 52447 1 . ALA 103 103 52447 1 . ALA 104 104 52447 1 . VAL 105 105 52447 1 . ASP 106 106 52447 1 . LYS 107 107 52447 1 . CYS 108 108 52447 1 . TRP 109 109 52447 1 . ASP 110 110 52447 1 . ASP 111 111 52447 1 . LEU 112 112 52447 1 . PRO 113 113 52447 1 . CYS 114 114 52447 1 . PRO 115 115 52447 1 . ALA 116 116 52447 1 . SER 117 117 52447 1 . HIS 118 118 52447 1 . ALA 119 119 52447 1 . SER 120 120 52447 1 . ILE 121 121 52447 1 . CYS 122 122 52447 1 . ALA 123 123 52447 1 . LYS 124 124 52447 1 . ALA 125 125 52447 1 . ALA 126 126 52447 1 . ILE 127 127 52447 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52447 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4922 organism . 'Pichia pastoris' 'budding yeasts' . . Eukaryota Fungi Pichia pastoris . . . . . . . . . . . . . 52447 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52447 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . plasmid . . pICZa . . . 52447 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52447 _Sample.ID 1 _Sample.Name '13C 15N Sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 25 mM sodium phosphate pH 6.0 0.6 mM LpAFP ; _Sample.Aggregate_sample_number 1 _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 LpAFP '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 52447 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 52447 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52447 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 52447 _Sample_condition_list.ID 1 _Sample_condition_list.Name 25degC _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' 61.225 . M 52447 1 pH 6.0 . pH 52447 1 pressure 1 . atm 52447 1 temperature 25 . K 52447 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52447 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52447 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52447 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52447 2 'data analysis' . 52447 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52447 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'Unity INOVA 600AA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52447 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 4 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 7 HN(CA)HA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 9 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 10 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52447 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52447 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference _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 . . . . . 52447 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 52447 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52447 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52447 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assignments _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 $chem_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-13C HSQC' . . . 52447 1 2 '2D 1H-15N HSQC' . . . 52447 1 3 '3D HN(CO)CA' . . . 52447 1 4 '3D CBCACONH' . . . 52447 1 5 '3D HNCACB' . . . 52447 1 6 '3D HBHA(CO)NH' . . . 52447 1 7 HN(CA)HA . . . 52447 1 8 '3D C(CO)NH' . . . 52447 1 9 '3D 15N-separated NOESY' . . . 52447 1 10 '3D HNCO' . . . 52447 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52447 1 2 $software_2 . . 52447 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 ALA HA H 1 4.269 . . . . . . . . 1 ALA HA . 52447 1 2 . 1 . 1 1 1 ALA C C 13 176.946 . . . . . . . . 1 ALA C . 52447 1 3 . 1 . 1 1 1 ALA CA C 13 52.039 . . . . . . . . 1 ALA CA . 52447 1 4 . 1 . 1 1 1 ALA CB C 13 19.010 . . . . . . . . 1 ALA CB . 52447 1 5 . 1 . 1 2 2 LEU H H 1 8.015 . . . . . . . . 2 LEU HN . 52447 1 6 . 1 . 1 2 2 LEU HA H 1 4.425 . . . . . . . . 2 LEU HA . 52447 1 7 . 1 . 1 2 2 LEU C C 13 176.361 . . . . . . . . 2 LEU C . 52447 1 8 . 1 . 1 2 2 LEU CA C 13 54.745 . . . . . . . . 2 LEU CA . 52447 1 9 . 1 . 1 2 2 LEU CB C 13 43.082 . . . . . . . . 2 LEU CB . 52447 1 10 . 1 . 1 2 2 LEU N N 15 122.608 . . . . . . . . 2 LEU N . 52447 1 11 . 1 . 1 3 3 VAL H H 1 8.864 . . . . . . . . 3 VAL HN . 52447 1 12 . 1 . 1 3 3 VAL HA H 1 4.411 . . . . . . . . 3 VAL HA . 52447 1 13 . 1 . 1 3 3 VAL C C 13 175.392 . . . . . . . . 3 VAL C . 52447 1 14 . 1 . 1 3 3 VAL CA C 13 61.080 . . . . . . . . 3 VAL CA . 52447 1 15 . 1 . 1 3 3 VAL CB C 13 35.257 . . . . . . . . 3 VAL CB . 52447 1 16 . 1 . 1 3 3 VAL CG1 C 13 20.379 . . . . . . . . 3 VAL CG1 . 52447 1 17 . 1 . 1 3 3 VAL CG2 C 13 21.227 . . . . . . . . 3 VAL CG2 . 52447 1 18 . 1 . 1 3 3 VAL N N 15 117.949 . . . . . . . . 3 VAL N . 52447 1 19 . 1 . 1 4 4 CYS H H 1 8.389 . . . . . . . . 4 CYS HN . 52447 1 20 . 1 . 1 4 4 CYS HA H 1 5.240 . . . . . . . . 4 CYS HA . 52447 1 21 . 1 . 1 4 4 CYS CA C 13 51.644 . . . . . . . . 4 CYS CA . 52447 1 22 . 1 . 1 4 4 CYS CB C 13 40.536 . . . . . . . . 4 CYS CB . 52447 1 23 . 1 . 1 4 4 CYS N N 15 120.539 . . . . . . . . 4 CYS N . 52447 1 24 . 1 . 1 5 5 PRO HA H 1 4.406 . . . . . . . . 5 PRO HA . 52447 1 25 . 1 . 1 5 5 PRO C C 13 175.489 . . . . . . . . 5 PRO C . 52447 1 26 . 1 . 1 5 5 PRO CA C 13 61.766 . . . . . . . . 5 PRO CA . 52447 1 27 . 1 . 1 5 5 PRO CB C 13 31.488 . . . . . . . . 5 PRO CB . 52447 1 28 . 1 . 1 5 5 PRO CG C 13 27.131 . . . . . . . . 5 PRO CG . 52447 1 29 . 1 . 1 5 5 PRO CD C 13 49.637 . . . . . . . . 5 PRO CD . 52447 1 30 . 1 . 1 6 6 ALA H H 1 8.445 . . . . . . . . 6 ALA HN . 52447 1 31 . 1 . 1 6 6 ALA HA H 1 4.294 . . . . . . . . 6 ALA HA . 52447 1 32 . 1 . 1 6 6 ALA C C 13 179.532 . . . . . . . . 6 ALA C . 52447 1 33 . 1 . 1 6 6 ALA CA C 13 53.963 . . . . . . . . 6 ALA CA . 52447 1 34 . 1 . 1 6 6 ALA CB C 13 18.057 . . . . . . . . 6 ALA CB . 52447 1 35 . 1 . 1 6 6 ALA N N 15 123.246 . . . . . . . . 6 ALA N . 52447 1 36 . 1 . 1 7 7 GLY H H 1 9.025 . . . . . . . . 7 GLY HN . 52447 1 37 . 1 . 1 7 7 GLY HA2 H 1 3.806 . . . . . . . . 7 GLY HA1 . 52447 1 38 . 1 . 1 7 7 GLY HA3 H 1 4.557 . . . . . . . . 7 GLY HA2 . 52447 1 39 . 1 . 1 7 7 GLY C C 13 173.971 . . . . . . . . 7 GLY C . 52447 1 40 . 1 . 1 7 7 GLY CA C 13 45.402 . . . . . . . . 7 GLY CA . 52447 1 41 . 1 . 1 7 7 GLY N N 15 111.490 . . . . . . . . 7 GLY N . 52447 1 42 . 1 . 1 8 8 TRP H H 1 8.553 . . . . . . . . 8 TRP HN . 52447 1 43 . 1 . 1 8 8 TRP HA H 1 5.391 . . . . . . . . 8 TRP HA . 52447 1 44 . 1 . 1 8 8 TRP C C 13 176.457 . . . . . . . . 8 TRP C . 52447 1 45 . 1 . 1 8 8 TRP CA C 13 56.220 . . . . . . . . 8 TRP CA . 52447 1 46 . 1 . 1 8 8 TRP CB C 13 30.270 . . . . . . . . 8 TRP CB . 52447 1 47 . 1 . 1 8 8 TRP N N 15 121.571 . . . . . . . . 8 TRP N . 52447 1 48 . 1 . 1 9 9 THR H H 1 9.781 . . . . . . . . 9 THR HN . 52447 1 49 . 1 . 1 9 9 THR HA H 1 4.915 . . . . . . . . 9 THR HA . 52447 1 50 . 1 . 1 9 9 THR C C 13 173.176 . . . . . . . . 9 THR C . 52447 1 51 . 1 . 1 9 9 THR CA C 13 60.430 . . . . . . . . 9 THR CA . 52447 1 52 . 1 . 1 9 9 THR CB C 13 70.944 . . . . . . . . 9 THR CB . 52447 1 53 . 1 . 1 9 9 THR CG2 C 13 21.430 . . . . . . . . 9 THR CG2 . 52447 1 54 . 1 . 1 9 9 THR N N 15 113.239 . . . . . . . . 9 THR N . 52447 1 55 . 1 . 1 10 10 LEU H H 1 8.426 . . . . . . . . 10 LEU HN . 52447 1 56 . 1 . 1 10 10 LEU HA H 1 5.104 . . . . . . . . 10 LEU HA . 52447 1 57 . 1 . 1 10 10 LEU C C 13 177.098 . . . . . . . . 10 LEU C . 52447 1 58 . 1 . 1 10 10 LEU CA C 13 55.106 . . . . . . . . 10 LEU CA . 52447 1 59 . 1 . 1 10 10 LEU CB C 13 44.520 . . . . . . . . 10 LEU CB . 52447 1 60 . 1 . 1 10 10 LEU CG C 13 27.575 . . . . . . . . 10 LEU CG . 52447 1 61 . 1 . 1 10 10 LEU CD1 C 13 23.427 . . . . . . . . 10 LEU CD1 . 52447 1 62 . 1 . 1 10 10 LEU CD2 C 13 26.988 . . . . . . . . 10 LEU CD2 . 52447 1 63 . 1 . 1 10 10 LEU N N 15 125.944 . . . . . . . . 10 LEU N . 52447 1 64 . 1 . 1 11 11 HIS H H 1 9.269 . . . . . . . . 11 HIS HN . 52447 1 65 . 1 . 1 11 11 HIS HA H 1 4.210 . . . . . . . . 11 HIS HA . 52447 1 66 . 1 . 1 11 11 HIS C C 13 174.917 . . . . . . . . 11 HIS C . 52447 1 67 . 1 . 1 11 11 HIS CA C 13 58.038 . . . . . . . . 11 HIS CA . 52447 1 68 . 1 . 1 11 11 HIS CB C 13 30.665 . . . . . . . . 11 HIS CB . 52447 1 69 . 1 . 1 11 11 HIS N N 15 126.092 . . . . . . . . 11 HIS N . 52447 1 70 . 1 . 1 12 12 GLY H H 1 8.572 . . . . . . . . 12 GLY HN . 52447 1 71 . 1 . 1 12 12 GLY HA2 H 1 3.333 . . . . . . . . 12 GLY HA1 . 52447 1 72 . 1 . 1 12 12 GLY HA3 H 1 3.701 . . . . . . . . 12 GLY HA2 . 52447 1 73 . 1 . 1 12 12 GLY C C 13 173.600 . . . . . . . . 12 GLY C . 52447 1 74 . 1 . 1 12 12 GLY CA C 13 46.846 . . . . . . . . 12 GLY CA . 52447 1 75 . 1 . 1 12 12 GLY N N 15 118.116 . . . . . . . . 12 GLY N . 52447 1 76 . 1 . 1 13 13 GLN H H 1 9.033 . . . . . . . . 13 GLN HN . 52447 1 77 . 1 . 1 13 13 GLN HA H 1 4.491 . . . . . . . . 13 GLN HA . 52447 1 78 . 1 . 1 13 13 GLN C C 13 175.251 . . . . . . . . 13 GLN C . 52447 1 79 . 1 . 1 13 13 GLN CA C 13 54.790 . . . . . . . . 13 GLN CA . 52447 1 80 . 1 . 1 13 13 GLN CB C 13 28.706 . . . . . . . . 13 GLN CB . 52447 1 81 . 1 . 1 13 13 GLN CG C 13 34.306 . . . . . . . . 13 GLN CG . 52447 1 82 . 1 . 1 13 13 GLN N N 15 124.054 . . . . . . . . 13 GLN N . 52447 1 83 . 1 . 1 14 14 ARG H H 1 8.167 . . . . . . . . 14 ARG HN . 52447 1 84 . 1 . 1 14 14 ARG HA H 1 4.783 . . . . . . . . 14 ARG HA . 52447 1 85 . 1 . 1 14 14 ARG C C 13 172.036 . . . . . . . . 14 ARG C . 52447 1 86 . 1 . 1 14 14 ARG CA C 13 55.555 . . . . . . . . 14 ARG CA . 52447 1 87 . 1 . 1 14 14 ARG CB C 13 35.788 . . . . . . . . 14 ARG CB . 52447 1 88 . 1 . 1 14 14 ARG CG C 13 26.917 . . . . . . . . 14 ARG CG . 52447 1 89 . 1 . 1 14 14 ARG CD C 13 44.597 . . . . . . . . 14 ARG CD . 52447 1 90 . 1 . 1 14 14 ARG N N 15 120.725 . . . . . . . . 14 ARG N . 52447 1 91 . 1 . 1 15 15 CYS H H 1 8.983 . . . . . . . . 15 CYS HN . 52447 1 92 . 1 . 1 15 15 CYS HA H 1 5.815 . . . . . . . . 15 CYS HA . 52447 1 93 . 1 . 1 15 15 CYS C C 13 174.466 . . . . . . . . 15 CYS C . 52447 1 94 . 1 . 1 15 15 CYS CA C 13 53.024 . . . . . . . . 15 CYS CA . 52447 1 95 . 1 . 1 15 15 CYS CB C 13 43.505 . . . . . . . . 15 CYS CB . 52447 1 96 . 1 . 1 15 15 CYS N N 15 117.378 . . . . . . . . 15 CYS N . 52447 1 97 . 1 . 1 16 16 PHE H H 1 10.202 . . . . . . . . 16 PHE HN . 52447 1 98 . 1 . 1 16 16 PHE HA H 1 5.798 . . . . . . . . 16 PHE HA . 52447 1 99 . 1 . 1 16 16 PHE C C 13 174.914 . . . . . . . . 16 PHE C . 52447 1 100 . 1 . 1 16 16 PHE CA C 13 57.608 . . . . . . . . 16 PHE CA . 52447 1 101 . 1 . 1 16 16 PHE CB C 13 43.068 . . . . . . . . 16 PHE CB . 52447 1 102 . 1 . 1 16 16 PHE N N 15 120.696 . . . . . . . . 16 PHE N . 52447 1 103 . 1 . 1 17 17 TYR H H 1 8.544 . . . . . . . . 17 TYR HN . 52447 1 104 . 1 . 1 17 17 TYR HA H 1 4.372 . . . . . . . . 17 TYR HA . 52447 1 105 . 1 . 1 17 17 TYR C C 13 173.403 . . . . . . . . 17 TYR C . 52447 1 106 . 1 . 1 17 17 TYR CA C 13 55.897 . . . . . . . . 17 TYR CA . 52447 1 107 . 1 . 1 17 17 TYR CB C 13 39.868 . . . . . . . . 17 TYR CB . 52447 1 108 . 1 . 1 17 17 TYR N N 15 122.396 . . . . . . . . 17 TYR N . 52447 1 109 . 1 . 1 18 18 SER H H 1 7.794 . . . . . . . . 18 SER HN . 52447 1 110 . 1 . 1 18 18 SER HA H 1 4.398 . . . . . . . . 18 SER HA . 52447 1 111 . 1 . 1 18 18 SER C C 13 171.375 . . . . . . . . 18 SER C . 52447 1 112 . 1 . 1 18 18 SER CA C 13 55.929 . . . . . . . . 18 SER CA . 52447 1 113 . 1 . 1 18 18 SER CB C 13 62.826 . . . . . . . . 18 SER CB . 52447 1 114 . 1 . 1 18 18 SER N N 15 121.648 . . . . . . . . 18 SER N . 52447 1 115 . 1 . 1 19 19 GLU H H 1 8.489 . . . . . . . . 19 GLU HN . 52447 1 116 . 1 . 1 19 19 GLU HA H 1 4.207 . . . . . . . . 19 GLU HA . 52447 1 117 . 1 . 1 19 19 GLU C C 13 173.997 . . . . . . . . 19 GLU C . 52447 1 118 . 1 . 1 19 19 GLU CA C 13 54.406 . . . . . . . . 19 GLU CA . 52447 1 119 . 1 . 1 19 19 GLU CB C 13 29.643 . . . . . . . . 19 GLU CB . 52447 1 120 . 1 . 1 19 19 GLU CG C 13 36.864 . . . . . . . . 19 GLU CG . 52447 1 121 . 1 . 1 19 19 GLU N N 15 130.249 . . . . . . . . 19 GLU N . 52447 1 122 . 1 . 1 20 20 ALA H H 1 8.258 . . . . . . . . 20 ALA HN . 52447 1 123 . 1 . 1 20 20 ALA HA H 1 4.280 . . . . . . . . 20 ALA HA . 52447 1 124 . 1 . 1 20 20 ALA C C 13 179.340 . . . . . . . . 20 ALA C . 52447 1 125 . 1 . 1 20 20 ALA CA C 13 53.006 . . . . . . . . 20 ALA CA . 52447 1 126 . 1 . 1 20 20 ALA CB C 13 19.336 . . . . . . . . 20 ALA CB . 52447 1 127 . 1 . 1 20 20 ALA N N 15 129.214 . . . . . . . . 20 ALA N . 52447 1 128 . 1 . 1 21 21 THR H H 1 9.174 . . . . . . . . 21 THR HN . 52447 1 129 . 1 . 1 21 21 THR HA H 1 3.936 . . . . . . . . 21 THR HA . 52447 1 130 . 1 . 1 21 21 THR C C 13 173.023 . . . . . . . . 21 THR C . 52447 1 131 . 1 . 1 21 21 THR CA C 13 63.898 . . . . . . . . 21 THR CA . 52447 1 132 . 1 . 1 21 21 THR CB C 13 68.394 . . . . . . . . 21 THR CB . 52447 1 133 . 1 . 1 21 21 THR CG2 C 13 21.570 . . . . . . . . 21 THR CG2 . 52447 1 134 . 1 . 1 21 21 THR N N 15 117.450 . . . . . . . . 21 THR N . 52447 1 135 . 1 . 1 22 22 ALA H H 1 8.552 . . . . . . . . 22 ALA HN . 52447 1 136 . 1 . 1 22 22 ALA HA H 1 3.855 . . . . . . . . 22 ALA HA . 52447 1 137 . 1 . 1 22 22 ALA C C 13 176.390 . . . . . . . . 22 ALA C . 52447 1 138 . 1 . 1 22 22 ALA CA C 13 52.165 . . . . . . . . 22 ALA CA . 52447 1 139 . 1 . 1 22 22 ALA CB C 13 18.009 . . . . . . . . 22 ALA CB . 52447 1 140 . 1 . 1 22 22 ALA N N 15 131.475 . . . . . . . . 22 ALA N . 52447 1 141 . 1 . 1 23 23 MET H H 1 8.500 . . . . . . . . 23 MET HN . 52447 1 142 . 1 . 1 23 23 MET HA H 1 4.939 . . . . . . . . 23 MET HA . 52447 1 143 . 1 . 1 23 23 MET C C 13 175.879 . . . . . . . . 23 MET C . 52447 1 144 . 1 . 1 23 23 MET CA C 13 55.246 . . . . . . . . 23 MET CA . 52447 1 145 . 1 . 1 23 23 MET CB C 13 38.723 . . . . . . . . 23 MET CB . 52447 1 146 . 1 . 1 23 23 MET CG C 13 32.837 . . . . . . . . 23 MET CG . 52447 1 147 . 1 . 1 23 23 MET N N 15 121.762 . . . . . . . . 23 MET N . 52447 1 148 . 1 . 1 24 24 THR H H 1 7.422 . . . . . . . . 24 THR HN . 52447 1 149 . 1 . 1 24 24 THR HA H 1 5.200 . . . . . . . . 24 THR HA . 52447 1 150 . 1 . 1 24 24 THR C C 13 174.063 . . . . . . . . 24 THR C . 52447 1 151 . 1 . 1 24 24 THR CA C 13 61.699 . . . . . . . . 24 THR CA . 52447 1 152 . 1 . 1 24 24 THR CB C 13 70.036 . . . . . . . . 24 THR CB . 52447 1 153 . 1 . 1 24 24 THR CG2 C 13 22.058 . . . . . . . . 24 THR CG2 . 52447 1 154 . 1 . 1 24 24 THR N N 15 111.354 . . . . . . . . 24 THR N . 52447 1 155 . 1 . 1 25 25 TRP H H 1 8.508 . . . . . . . . 25 TRP HN . 52447 1 156 . 1 . 1 25 25 TRP HA H 1 3.019 . . . . . . . . 25 TRP HA . 52447 1 157 . 1 . 1 25 25 TRP C C 13 177.299 . . . . . . . . 25 TRP C . 52447 1 158 . 1 . 1 25 25 TRP CA C 13 63.212 . . . . . . . . 25 TRP CA . 52447 1 159 . 1 . 1 25 25 TRP CB C 13 30.374 . . . . . . . . 25 TRP CB . 52447 1 160 . 1 . 1 25 25 TRP N N 15 122.829 . . . . . . . . 25 TRP N . 52447 1 161 . 1 . 1 26 26 ASP H H 1 8.429 . . . . . . . . 26 ASP HN . 52447 1 162 . 1 . 1 26 26 ASP HA H 1 4.089 . . . . . . . . 26 ASP HA . 52447 1 163 . 1 . 1 26 26 ASP C C 13 180.056 . . . . . . . . 26 ASP C . 52447 1 164 . 1 . 1 26 26 ASP CA C 13 57.206 . . . . . . . . 26 ASP CA . 52447 1 165 . 1 . 1 26 26 ASP CB C 13 40.954 . . . . . . . . 26 ASP CB . 52447 1 166 . 1 . 1 26 26 ASP N N 15 112.127 . . . . . . . . 26 ASP N . 52447 1 167 . 1 . 1 27 27 LEU H H 1 7.717 . . . . . . . . 27 LEU HN . 52447 1 168 . 1 . 1 27 27 LEU HA H 1 4.129 . . . . . . . . 27 LEU HA . 52447 1 169 . 1 . 1 27 27 LEU C C 13 178.843 . . . . . . . . 27 LEU C . 52447 1 170 . 1 . 1 27 27 LEU CA C 13 57.266 . . . . . . . . 27 LEU CA . 52447 1 171 . 1 . 1 27 27 LEU CB C 13 40.536 . . . . . . . . 27 LEU CB . 52447 1 172 . 1 . 1 27 27 LEU CG C 13 27.826 . . . . . . . . 27 LEU CG . 52447 1 173 . 1 . 1 27 27 LEU CD1 C 13 22.914 . . . . . . . . 27 LEU CD1 . 52447 1 174 . 1 . 1 27 27 LEU CD2 C 13 25.290 . . . . . . . . 27 LEU CD2 . 52447 1 175 . 1 . 1 27 27 LEU N N 15 121.592 . . . . . . . . 27 LEU N . 52447 1 176 . 1 . 1 28 28 ALA H H 1 9.013 . . . . . . . . 28 ALA HN . 52447 1 177 . 1 . 1 28 28 ALA HA H 1 4.473 . . . . . . . . 28 ALA HA . 52447 1 178 . 1 . 1 28 28 ALA C C 13 180.862 . . . . . . . . 28 ALA C . 52447 1 179 . 1 . 1 28 28 ALA CA C 13 54.602 . . . . . . . . 28 ALA CA . 52447 1 180 . 1 . 1 28 28 ALA CB C 13 17.621 . . . . . . . . 28 ALA CB . 52447 1 181 . 1 . 1 28 28 ALA N N 15 127.416 . . . . . . . . 28 ALA N . 52447 1 182 . 1 . 1 29 29 GLU H H 1 8.280 . . . . . . . . 29 GLU HN . 52447 1 183 . 1 . 1 29 29 GLU HA H 1 4.077 . . . . . . . . 29 GLU HA . 52447 1 184 . 1 . 1 29 29 GLU C C 13 177.853 . . . . . . . . 29 GLU C . 52447 1 185 . 1 . 1 29 29 GLU CA C 13 59.481 . . . . . . . . 29 GLU CA . 52447 1 186 . 1 . 1 29 29 GLU CB C 13 26.213 . . . . . . . . 29 GLU CB . 52447 1 187 . 1 . 1 29 29 GLU CG C 13 34.196 . . . . . . . . 29 GLU CG . 52447 1 188 . 1 . 1 29 29 GLU N N 15 121.763 . . . . . . . . 29 GLU N . 52447 1 189 . 1 . 1 30 30 ALA H H 1 7.615 . . . . . . . . 30 ALA HN . 52447 1 190 . 1 . 1 30 30 ALA HA H 1 4.019 . . . . . . . . 30 ALA HA . 52447 1 191 . 1 . 1 30 30 ALA C C 13 179.938 . . . . . . . . 30 ALA C . 52447 1 192 . 1 . 1 30 30 ALA CA C 13 55.210 . . . . . . . . 30 ALA CA . 52447 1 193 . 1 . 1 30 30 ALA CB C 13 17.578 . . . . . . . . 30 ALA CB . 52447 1 194 . 1 . 1 30 30 ALA N N 15 121.034 . . . . . . . . 30 ALA N . 52447 1 195 . 1 . 1 31 31 ASN H H 1 8.579 . . . . . . . . 31 ASN HN . 52447 1 196 . 1 . 1 31 31 ASN HA H 1 4.368 . . . . . . . . 31 ASN HA . 52447 1 197 . 1 . 1 31 31 ASN C C 13 176.907 . . . . . . . . 31 ASN C . 52447 1 198 . 1 . 1 31 31 ASN CA C 13 56.693 . . . . . . . . 31 ASN CA . 52447 1 199 . 1 . 1 31 31 ASN CB C 13 39.263 . . . . . . . . 31 ASN CB . 52447 1 200 . 1 . 1 31 31 ASN N N 15 118.578 . . . . . . . . 31 ASN N . 52447 1 201 . 1 . 1 32 32 CYS H H 1 8.099 . . . . . . . . 32 CYS HN . 52447 1 202 . 1 . 1 32 32 CYS HA H 1 4.304 . . . . . . . . 32 CYS HA . 52447 1 203 . 1 . 1 32 32 CYS C C 13 178.087 . . . . . . . . 32 CYS C . 52447 1 204 . 1 . 1 32 32 CYS CA C 13 55.601 . . . . . . . . 32 CYS CA . 52447 1 205 . 1 . 1 32 32 CYS CB C 13 34.024 . . . . . . . . 32 CYS CB . 52447 1 206 . 1 . 1 32 32 CYS N N 15 115.944 . . . . . . . . 32 CYS N . 52447 1 207 . 1 . 1 33 33 VAL H H 1 8.750 . . . . . . . . 33 VAL HN . 52447 1 208 . 1 . 1 33 33 VAL HA H 1 3.866 . . . . . . . . 33 VAL HA . 52447 1 209 . 1 . 1 33 33 VAL C C 13 181.206 . . . . . . . . 33 VAL C . 52447 1 210 . 1 . 1 33 33 VAL CA C 13 66.065 . . . . . . . . 33 VAL CA . 52447 1 211 . 1 . 1 33 33 VAL CB C 13 31.430 . . . . . . . . 33 VAL CB . 52447 1 212 . 1 . 1 33 33 VAL CG1 C 13 21.193 . . . . . . . . 33 VAL CG1 . 52447 1 213 . 1 . 1 33 33 VAL CG2 C 13 23.432 . . . . . . . . 33 VAL CG2 . 52447 1 214 . 1 . 1 33 33 VAL N N 15 125.905 . . . . . . . . 33 VAL N . 52447 1 215 . 1 . 1 34 34 ASN H H 1 8.446 . . . . . . . . 34 ASN HN . 52447 1 216 . 1 . 1 34 34 ASN HA H 1 4.466 . . . . . . . . 34 ASN HA . 52447 1 217 . 1 . 1 34 34 ASN C C 13 176.960 . . . . . . . . 34 ASN C . 52447 1 218 . 1 . 1 34 34 ASN CA C 13 55.837 . . . . . . . . 34 ASN CA . 52447 1 219 . 1 . 1 34 34 ASN CB C 13 37.991 . . . . . . . . 34 ASN CB . 52447 1 220 . 1 . 1 34 34 ASN N N 15 122.410 . . . . . . . . 34 ASN N . 52447 1 221 . 1 . 1 35 35 LYS H H 1 7.380 . . . . . . . . 35 LYS HN . 52447 1 222 . 1 . 1 35 35 LYS HA H 1 4.332 . . . . . . . . 35 LYS HA . 52447 1 223 . 1 . 1 35 35 LYS C C 13 175.406 . . . . . . . . 35 LYS C . 52447 1 224 . 1 . 1 35 35 LYS CA C 13 56.230 . . . . . . . . 35 LYS CA . 52447 1 225 . 1 . 1 35 35 LYS CB C 13 33.246 . . . . . . . . 35 LYS CB . 52447 1 226 . 1 . 1 35 35 LYS CG C 13 25.371 . . . . . . . . 35 LYS CG . 52447 1 227 . 1 . 1 35 35 LYS CD C 13 29.002 . . . . . . . . 35 LYS CD . 52447 1 228 . 1 . 1 35 35 LYS CE C 13 42.439 . . . . . . . . 35 LYS CE . 52447 1 229 . 1 . 1 35 35 LYS N N 15 117.506 . . . . . . . . 35 LYS N . 52447 1 230 . 1 . 1 36 36 GLY H H 1 7.943 . . . . . . . . 36 GLY HN . 52447 1 231 . 1 . 1 36 36 GLY HA2 H 1 3.806 . . . . . . . . 36 GLY HA1 . 52447 1 232 . 1 . 1 36 36 GLY HA3 H 1 4.022 . . . . . . . . 36 GLY HA2 . 52447 1 233 . 1 . 1 36 36 GLY C C 13 174.281 . . . . . . . . 36 GLY C . 52447 1 234 . 1 . 1 36 36 GLY CA C 13 45.488 . . . . . . . . 36 GLY CA . 52447 1 235 . 1 . 1 36 36 GLY N N 15 106.754 . . . . . . . . 36 GLY N . 52447 1 236 . 1 . 1 37 37 GLY H H 1 8.442 . . . . . . . . 37 GLY HN . 52447 1 237 . 1 . 1 37 37 GLY HA2 H 1 3.578 . . . . . . . . 37 GLY HA1 . 52447 1 238 . 1 . 1 37 37 GLY HA3 H 1 4.717 . . . . . . . . 37 GLY HA2 . 52447 1 239 . 1 . 1 37 37 GLY C C 13 171.217 . . . . . . . . 37 GLY C . 52447 1 240 . 1 . 1 37 37 GLY CA C 13 44.835 . . . . . . . . 37 GLY CA . 52447 1 241 . 1 . 1 37 37 GLY N N 15 108.183 . . . . . . . . 37 GLY N . 52447 1 242 . 1 . 1 38 38 HIS H H 1 8.315 . . . . . . . . 38 HIS HN . 52447 1 243 . 1 . 1 38 38 HIS HA H 1 4.652 . . . . . . . . 38 HIS HA . 52447 1 244 . 1 . 1 38 38 HIS C C 13 174.381 . . . . . . . . 38 HIS C . 52447 1 245 . 1 . 1 38 38 HIS CA C 13 55.213 . . . . . . . . 38 HIS CA . 52447 1 246 . 1 . 1 38 38 HIS CB C 13 34.895 . . . . . . . . 38 HIS CB . 52447 1 247 . 1 . 1 38 38 HIS N N 15 118.449 . . . . . . . . 38 HIS N . 52447 1 248 . 1 . 1 39 39 LEU H H 1 9.479 . . . . . . . . 39 LEU HN . 52447 1 249 . 1 . 1 39 39 LEU HA H 1 5.035 . . . . . . . . 39 LEU HA . 52447 1 250 . 1 . 1 39 39 LEU C C 13 178.784 . . . . . . . . 39 LEU C . 52447 1 251 . 1 . 1 39 39 LEU CA C 13 57.133 . . . . . . . . 39 LEU CA . 52447 1 252 . 1 . 1 39 39 LEU CB C 13 43.604 . . . . . . . . 39 LEU CB . 52447 1 253 . 1 . 1 39 39 LEU CD1 C 13 24.998 . . . . . . . . 39 LEU CD1 . 52447 1 254 . 1 . 1 39 39 LEU CD2 C 13 26.224 . . . . . . . . 39 LEU CD2 . 52447 1 255 . 1 . 1 39 39 LEU N N 15 124.165 . . . . . . . . 39 LEU N . 52447 1 256 . 1 . 1 40 40 ALA H H 1 8.898 . . . . . . . . 40 ALA HN . 52447 1 257 . 1 . 1 40 40 ALA HA H 1 3.971 . . . . . . . . 40 ALA HA . 52447 1 258 . 1 . 1 40 40 ALA C C 13 175.627 . . . . . . . . 40 ALA C . 52447 1 259 . 1 . 1 40 40 ALA CA C 13 53.996 . . . . . . . . 40 ALA CA . 52447 1 260 . 1 . 1 40 40 ALA CB C 13 18.727 . . . . . . . . 40 ALA CB . 52447 1 261 . 1 . 1 40 40 ALA N N 15 122.564 . . . . . . . . 40 ALA N . 52447 1 262 . 1 . 1 41 41 SER H H 1 6.600 . . . . . . . . 41 SER HN . 52447 1 263 . 1 . 1 41 41 SER HA H 1 2.734 . . . . . . . . 41 SER HA . 52447 1 264 . 1 . 1 41 41 SER CA C 13 55.554 . . . . . . . . 41 SER CA . 52447 1 265 . 1 . 1 41 41 SER CB C 13 63.717 . . . . . . . . 41 SER CB . 52447 1 266 . 1 . 1 41 41 SER N N 15 112.930 . . . . . . . . 41 SER N . 52447 1 267 . 1 . 1 42 42 ILE HA H 1 4.364 . . . . . . . . 42 ILE HA . 52447 1 268 . 1 . 1 42 42 ILE C C 13 176.063 . . . . . . . . 42 ILE C . 52447 1 269 . 1 . 1 42 42 ILE CA C 13 61.372 . . . . . . . . 42 ILE CA . 52447 1 270 . 1 . 1 42 42 ILE CB C 13 40.277 . . . . . . . . 42 ILE CB . 52447 1 271 . 1 . 1 42 42 ILE CG1 C 13 27.459 . . . . . . . . 42 ILE CG1 . 52447 1 272 . 1 . 1 42 42 ILE CG2 C 13 18.170 . . . . . . . . 42 ILE CG2 . 52447 1 273 . 1 . 1 42 42 ILE CD1 C 13 14.253 . . . . . . . . 42 ILE CD1 . 52447 1 274 . 1 . 1 43 43 HIS H H 1 9.803 . . . . . . . . 43 HIS HN . 52447 1 275 . 1 . 1 43 43 HIS HA H 1 4.971 . . . . . . . . 43 HIS HA . 52447 1 276 . 1 . 1 43 43 HIS C C 13 172.528 . . . . . . . . 43 HIS C . 52447 1 277 . 1 . 1 43 43 HIS CA C 13 56.280 . . . . . . . . 43 HIS CA . 52447 1 278 . 1 . 1 43 43 HIS CB C 13 30.080 . . . . . . . . 43 HIS CB . 52447 1 279 . 1 . 1 43 43 HIS N N 15 122.460 . . . . . . . . 43 HIS N . 52447 1 280 . 1 . 1 44 44 SER H H 1 7.147 . . . . . . . . 44 SER HN . 52447 1 281 . 1 . 1 44 44 SER HA H 1 3.798 . . . . . . . . 44 SER HA . 52447 1 282 . 1 . 1 44 44 SER C C 13 172.477 . . . . . . . . 44 SER C . 52447 1 283 . 1 . 1 44 44 SER CA C 13 56.543 . . . . . . . . 44 SER CA . 52447 1 284 . 1 . 1 44 44 SER CB C 13 65.469 . . . . . . . . 44 SER CB . 52447 1 285 . 1 . 1 44 44 SER N N 15 112.722 . . . . . . . . 44 SER N . 52447 1 286 . 1 . 1 45 45 LEU H H 1 8.558 . . . . . . . . 45 LEU HN . 52447 1 287 . 1 . 1 45 45 LEU HA H 1 4.137 . . . . . . . . 45 LEU HA . 52447 1 288 . 1 . 1 45 45 LEU C C 13 177.557 . . . . . . . . 45 LEU C . 52447 1 289 . 1 . 1 45 45 LEU CA C 13 56.968 . . . . . . . . 45 LEU CA . 52447 1 290 . 1 . 1 45 45 LEU CB C 13 41.168 . . . . . . . . 45 LEU CB . 52447 1 291 . 1 . 1 45 45 LEU CG C 13 27.098 . . . . . . . . 45 LEU CG . 52447 1 292 . 1 . 1 45 45 LEU CD1 C 13 22.458 . . . . . . . . 45 LEU CD1 . 52447 1 293 . 1 . 1 45 45 LEU CD2 C 13 25.869 . . . . . . . . 45 LEU CD2 . 52447 1 294 . 1 . 1 45 45 LEU N N 15 123.331 . . . . . . . . 45 LEU N . 52447 1 295 . 1 . 1 46 46 GLU H H 1 8.357 . . . . . . . . 46 GLU HN . 52447 1 296 . 1 . 1 46 46 GLU HA H 1 3.802 . . . . . . . . 46 GLU HA . 52447 1 297 . 1 . 1 46 46 GLU C C 13 179.605 . . . . . . . . 46 GLU C . 52447 1 298 . 1 . 1 46 46 GLU CA C 13 60.917 . . . . . . . . 46 GLU CA . 52447 1 299 . 1 . 1 46 46 GLU CB C 13 28.728 . . . . . . . . 46 GLU CB . 52447 1 300 . 1 . 1 46 46 GLU CG C 13 37.297 . . . . . . . . 46 GLU CG . 52447 1 301 . 1 . 1 46 46 GLU N N 15 117.071 . . . . . . . . 46 GLU N . 52447 1 302 . 1 . 1 47 47 GLU H H 1 7.692 . . . . . . . . 47 GLU HN . 52447 1 303 . 1 . 1 47 47 GLU HA H 1 3.639 . . . . . . . . 47 GLU HA . 52447 1 304 . 1 . 1 47 47 GLU C C 13 177.157 . . . . . . . . 47 GLU C . 52447 1 305 . 1 . 1 47 47 GLU CA C 13 60.052 . . . . . . . . 47 GLU CA . 52447 1 306 . 1 . 1 47 47 GLU CB C 13 31.104 . . . . . . . . 47 GLU CB . 52447 1 307 . 1 . 1 47 47 GLU CG C 13 38.132 . . . . . . . . 47 GLU CG . 52447 1 308 . 1 . 1 47 47 GLU N N 15 119.292 . . . . . . . . 47 GLU N . 52447 1 309 . 1 . 1 48 48 GLN H H 1 7.860 . . . . . . . . 48 GLN HN . 52447 1 310 . 1 . 1 48 48 GLN HA H 1 3.888 . . . . . . . . 48 GLN HA . 52447 1 311 . 1 . 1 48 48 GLN C C 13 177.592 . . . . . . . . 48 GLN C . 52447 1 312 . 1 . 1 48 48 GLN CA C 13 59.378 . . . . . . . . 48 GLN CA . 52447 1 313 . 1 . 1 48 48 GLN CB C 13 26.457 . . . . . . . . 48 GLN CB . 52447 1 314 . 1 . 1 48 48 GLN CG C 13 31.519 . . . . . . . . 48 GLN CG . 52447 1 315 . 1 . 1 48 48 GLN N N 15 121.857 . . . . . . . . 48 GLN N . 52447 1 316 . 1 . 1 49 49 LEU H H 1 8.708 . . . . . . . . 49 LEU HN . 52447 1 317 . 1 . 1 49 49 LEU HA H 1 3.823 . . . . . . . . 49 LEU HA . 52447 1 318 . 1 . 1 49 49 LEU C C 13 178.992 . . . . . . . . 49 LEU C . 52447 1 319 . 1 . 1 49 49 LEU CA C 13 57.291 . . . . . . . . 49 LEU CA . 52447 1 320 . 1 . 1 49 49 LEU CB C 13 41.171 . . . . . . . . 49 LEU CB . 52447 1 321 . 1 . 1 49 49 LEU CG C 13 26.429 . . . . . . . . 49 LEU CG . 52447 1 322 . 1 . 1 49 49 LEU CD1 C 13 22.141 . . . . . . . . 49 LEU CD1 . 52447 1 323 . 1 . 1 49 49 LEU CD2 C 13 25.691 . . . . . . . . 49 LEU CD2 . 52447 1 324 . 1 . 1 49 49 LEU N N 15 116.214 . . . . . . . . 49 LEU N . 52447 1 325 . 1 . 1 50 50 TYR H H 1 7.598 . . . . . . . . 50 TYR HN . 52447 1 326 . 1 . 1 50 50 TYR HA H 1 3.947 . . . . . . . . 50 TYR HA . 52447 1 327 . 1 . 1 50 50 TYR C C 13 177.517 . . . . . . . . 50 TYR C . 52447 1 328 . 1 . 1 50 50 TYR CA C 13 61.312 . . . . . . . . 50 TYR CA . 52447 1 329 . 1 . 1 50 50 TYR CB C 13 37.988 . . . . . . . . 50 TYR CB . 52447 1 330 . 1 . 1 50 50 TYR N N 15 119.899 . . . . . . . . 50 TYR N . 52447 1 331 . 1 . 1 51 51 ILE H H 1 8.177 . . . . . . . . 51 ILE HN . 52447 1 332 . 1 . 1 51 51 ILE HA H 1 3.063 . . . . . . . . 51 ILE HA . 52447 1 333 . 1 . 1 51 51 ILE C C 13 178.772 . . . . . . . . 51 ILE C . 52447 1 334 . 1 . 1 51 51 ILE CA C 13 63.928 . . . . . . . . 51 ILE CA . 52447 1 335 . 1 . 1 51 51 ILE CB C 13 37.589 . . . . . . . . 51 ILE CB . 52447 1 336 . 1 . 1 51 51 ILE CG1 C 13 29.669 . . . . . . . . 51 ILE CG1 . 52447 1 337 . 1 . 1 51 51 ILE CG2 C 13 18.990 . . . . . . . . 51 ILE CG2 . 52447 1 338 . 1 . 1 51 51 ILE CD1 C 13 14.251 . . . . . . . . 51 ILE CD1 . 52447 1 339 . 1 . 1 51 51 ILE N N 15 118.109 . . . . . . . . 51 ILE N . 52447 1 340 . 1 . 1 52 52 LYS H H 1 8.308 . . . . . . . . 52 LYS HN . 52447 1 341 . 1 . 1 52 52 LYS HA H 1 3.903 . . . . . . . . 52 LYS HA . 52447 1 342 . 1 . 1 52 52 LYS C C 13 175.654 . . . . . . . . 52 LYS C . 52447 1 343 . 1 . 1 52 52 LYS CA C 13 59.083 . . . . . . . . 52 LYS CA . 52447 1 344 . 1 . 1 52 52 LYS CB C 13 31.457 . . . . . . . . 52 LYS CB . 52447 1 345 . 1 . 1 52 52 LYS CG C 13 23.484 . . . . . . . . 52 LYS CG . 52447 1 346 . 1 . 1 52 52 LYS CD C 13 29.726 . . . . . . . . 52 LYS CD . 52447 1 347 . 1 . 1 52 52 LYS CE C 13 41.857 . . . . . . . . 52 LYS CE . 52447 1 348 . 1 . 1 52 52 LYS N N 15 119.781 . . . . . . . . 52 LYS N . 52447 1 349 . 1 . 1 53 53 ASP H H 1 6.728 . . . . . . . . 53 ASP HN . 52447 1 350 . 1 . 1 53 53 ASP HA H 1 4.567 . . . . . . . . 53 ASP HA . 52447 1 351 . 1 . 1 53 53 ASP C C 13 177.493 . . . . . . . . 53 ASP C . 52447 1 352 . 1 . 1 53 53 ASP CA C 13 54.908 . . . . . . . . 53 ASP CA . 52447 1 353 . 1 . 1 53 53 ASP CB C 13 41.125 . . . . . . . . 53 ASP CB . 52447 1 354 . 1 . 1 53 53 ASP N N 15 114.655 . . . . . . . . 53 ASP N . 52447 1 355 . 1 . 1 54 54 ILE H H 1 7.358 . . . . . . . . 54 ILE HN . 52447 1 356 . 1 . 1 54 54 ILE HA H 1 3.847 . . . . . . . . 54 ILE HA . 52447 1 357 . 1 . 1 54 54 ILE C C 13 175.957 . . . . . . . . 54 ILE C . 52447 1 358 . 1 . 1 54 54 ILE CA C 13 63.612 . . . . . . . . 54 ILE CA . 52447 1 359 . 1 . 1 54 54 ILE CB C 13 38.713 . . . . . . . . 54 ILE CB . 52447 1 360 . 1 . 1 54 54 ILE CG1 C 13 27.227 . . . . . . . . 54 ILE CG1 . 52447 1 361 . 1 . 1 54 54 ILE CG2 C 13 17.158 . . . . . . . . 54 ILE CG2 . 52447 1 362 . 1 . 1 54 54 ILE CD1 C 13 14.059 . . . . . . . . 54 ILE CD1 . 52447 1 363 . 1 . 1 54 54 ILE N N 15 116.824 . . . . . . . . 54 ILE N . 52447 1 364 . 1 . 1 55 55 VAL H H 1 7.098 . . . . . . . . 55 VAL HN . 52447 1 365 . 1 . 1 55 55 VAL HA H 1 4.292 . . . . . . . . 55 VAL HA . 52447 1 366 . 1 . 1 55 55 VAL C C 13 173.702 . . . . . . . . 55 VAL C . 52447 1 367 . 1 . 1 55 55 VAL CA C 13 59.999 . . . . . . . . 55 VAL CA . 52447 1 368 . 1 . 1 55 55 VAL CB C 13 34.454 . . . . . . . . 55 VAL CB . 52447 1 369 . 1 . 1 55 55 VAL CG1 C 13 19.600 . . . . . . . . 55 VAL CG1 . 52447 1 370 . 1 . 1 55 55 VAL CG2 C 13 21.134 . . . . . . . . 55 VAL CG2 . 52447 1 371 . 1 . 1 55 55 VAL N N 15 114.438 . . . . . . . . 55 VAL N . 52447 1 372 . 1 . 1 56 56 ALA H H 1 8.282 . . . . . . . . 56 ALA HN . 52447 1 373 . 1 . 1 56 56 ALA HA H 1 4.446 . . . . . . . . 56 ALA HA . 52447 1 374 . 1 . 1 56 56 ALA C C 13 178.426 . . . . . . . . 56 ALA C . 52447 1 375 . 1 . 1 56 56 ALA CA C 13 52.015 . . . . . . . . 56 ALA CA . 52447 1 376 . 1 . 1 56 56 ALA CB C 13 19.827 . . . . . . . . 56 ALA CB . 52447 1 377 . 1 . 1 56 56 ALA N N 15 126.078 . . . . . . . . 56 ALA N . 52447 1 378 . 1 . 1 57 57 GLY H H 1 8.181 . . . . . . . . 57 GLY HN . 52447 1 379 . 1 . 1 57 57 GLY HA2 H 1 3.759 . . . . . . . . 57 GLY HA1 . 52447 1 380 . 1 . 1 57 57 GLY HA3 H 1 3.991 . . . . . . . . 57 GLY HA2 . 52447 1 381 . 1 . 1 57 57 GLY C C 13 172.899 . . . . . . . . 57 GLY C . 52447 1 382 . 1 . 1 57 57 GLY CA C 13 44.816 . . . . . . . . 57 GLY CA . 52447 1 383 . 1 . 1 57 57 GLY N N 15 106.777 . . . . . . . . 57 GLY N . 52447 1 384 . 1 . 1 58 58 ILE H H 1 8.261 . . . . . . . . 58 ILE HN . 52447 1 385 . 1 . 1 58 58 ILE HA H 1 3.949 . . . . . . . . 58 ILE HA . 52447 1 386 . 1 . 1 58 58 ILE C C 13 178.064 . . . . . . . . 58 ILE C . 52447 1 387 . 1 . 1 58 58 ILE CA C 13 62.104 . . . . . . . . 58 ILE CA . 52447 1 388 . 1 . 1 58 58 ILE CB C 13 39.022 . . . . . . . . 58 ILE CB . 52447 1 389 . 1 . 1 58 58 ILE CG1 C 13 29.358 . . . . . . . . 58 ILE CG1 . 52447 1 390 . 1 . 1 58 58 ILE CG2 C 13 16.618 . . . . . . . . 58 ILE CG2 . 52447 1 391 . 1 . 1 58 58 ILE CD1 C 13 14.518 . . . . . . . . 58 ILE CD1 . 52447 1 392 . 1 . 1 58 58 ILE N N 15 121.280 . . . . . . . . 58 ILE N . 52447 1 393 . 1 . 1 59 59 VAL H H 1 7.720 . . . . . . . . 59 VAL HN . 52447 1 394 . 1 . 1 59 59 VAL HA H 1 4.689 . . . . . . . . 59 VAL HA . 52447 1 395 . 1 . 1 59 59 VAL C C 13 175.929 . . . . . . . . 59 VAL C . 52447 1 396 . 1 . 1 59 59 VAL CA C 13 58.195 . . . . . . . . 59 VAL CA . 52447 1 397 . 1 . 1 59 59 VAL CB C 13 36.434 . . . . . . . . 59 VAL CB . 52447 1 398 . 1 . 1 59 59 VAL CG1 C 13 20.504 . . . . . . . . 59 VAL CG1 . 52447 1 399 . 1 . 1 59 59 VAL CG2 C 13 23.376 . . . . . . . . 59 VAL CG2 . 52447 1 400 . 1 . 1 59 59 VAL N N 15 118.422 . . . . . . . . 59 VAL N . 52447 1 401 . 1 . 1 60 60 TRP H H 1 9.496 . . . . . . . . 60 TRP HN . 52447 1 402 . 1 . 1 60 60 TRP HA H 1 5.606 . . . . . . . . 60 TRP HA . 52447 1 403 . 1 . 1 60 60 TRP C C 13 176.103 . . . . . . . . 60 TRP C . 52447 1 404 . 1 . 1 60 60 TRP CA C 13 57.694 . . . . . . . . 60 TRP CA . 52447 1 405 . 1 . 1 60 60 TRP CB C 13 32.486 . . . . . . . . 60 TRP CB . 52447 1 406 . 1 . 1 60 60 TRP N N 15 122.769 . . . . . . . . 60 TRP N . 52447 1 407 . 1 . 1 61 61 ILE H H 1 8.308 . . . . . . . . 61 ILE HN . 52447 1 408 . 1 . 1 61 61 ILE HA H 1 4.964 . . . . . . . . 61 ILE HA . 52447 1 409 . 1 . 1 61 61 ILE C C 13 176.906 . . . . . . . . 61 ILE C . 52447 1 410 . 1 . 1 61 61 ILE CA C 13 61.676 . . . . . . . . 61 ILE CA . 52447 1 411 . 1 . 1 61 61 ILE CB C 13 40.523 . . . . . . . . 61 ILE CB . 52447 1 412 . 1 . 1 61 61 ILE CG1 C 13 26.382 . . . . . . . . 61 ILE CG1 . 52447 1 413 . 1 . 1 61 61 ILE CG2 C 13 19.697 . . . . . . . . 61 ILE CG2 . 52447 1 414 . 1 . 1 61 61 ILE CD1 C 13 14.413 . . . . . . . . 61 ILE CD1 . 52447 1 415 . 1 . 1 61 61 ILE N N 15 112.565 . . . . . . . . 61 ILE N . 52447 1 416 . 1 . 1 62 62 GLY H H 1 9.058 . . . . . . . . 62 GLY HN . 52447 1 417 . 1 . 1 62 62 GLY HA2 H 1 4.210 . . . . . . . . 62 GLY HA1 . 52447 1 418 . 1 . 1 62 62 GLY HA3 H 1 4.414 . . . . . . . . 62 GLY HA2 . 52447 1 419 . 1 . 1 62 62 GLY C C 13 174.673 . . . . . . . . 62 GLY C . 52447 1 420 . 1 . 1 62 62 GLY CA C 13 50.404 . . . . . . . . 62 GLY CA . 52447 1 421 . 1 . 1 62 62 GLY N N 15 104.625 . . . . . . . . 62 GLY N . 52447 1 422 . 1 . 1 63 63 GLY H H 1 7.613 . . . . . . . . 63 GLY HN . 52447 1 423 . 1 . 1 63 63 GLY HA2 H 1 3.471 . . . . . . . . 63 GLY HA1 . 52447 1 424 . 1 . 1 63 63 GLY HA3 H 1 5.484 . . . . . . . . 63 GLY HA2 . 52447 1 425 . 1 . 1 63 63 GLY C C 13 172.499 . . . . . . . . 63 GLY C . 52447 1 426 . 1 . 1 63 63 GLY CA C 13 44.669 . . . . . . . . 63 GLY CA . 52447 1 427 . 1 . 1 63 63 GLY N N 15 112.624 . . . . . . . . 63 GLY N . 52447 1 428 . 1 . 1 64 64 SER H H 1 8.848 . . . . . . . . 64 SER HN . 52447 1 429 . 1 . 1 64 64 SER HA H 1 5.316 . . . . . . . . 64 SER HA . 52447 1 430 . 1 . 1 64 64 SER C C 13 172.687 . . . . . . . . 64 SER C . 52447 1 431 . 1 . 1 64 64 SER CA C 13 58.994 . . . . . . . . 64 SER CA . 52447 1 432 . 1 . 1 64 64 SER CB C 13 66.169 . . . . . . . . 64 SER CB . 52447 1 433 . 1 . 1 64 64 SER N N 15 115.668 . . . . . . . . 64 SER N . 52447 1 434 . 1 . 1 65 65 ALA H H 1 8.083 . . . . . . . . 65 ALA HN . 52447 1 435 . 1 . 1 65 65 ALA HA H 1 4.191 . . . . . . . . 65 ALA HA . 52447 1 436 . 1 . 1 65 65 ALA C C 13 176.505 . . . . . . . . 65 ALA C . 52447 1 437 . 1 . 1 65 65 ALA CA C 13 51.367 . . . . . . . . 65 ALA CA . 52447 1 438 . 1 . 1 65 65 ALA CB C 13 16.464 . . . . . . . . 65 ALA CB . 52447 1 439 . 1 . 1 65 65 ALA N N 15 127.089 . . . . . . . . 65 ALA N . 52447 1 440 . 1 . 1 66 66 CYS H H 1 8.439 . . . . . . . . 66 CYS HN . 52447 1 441 . 1 . 1 66 66 CYS HA H 1 4.451 . . . . . . . . 66 CYS HA . 52447 1 442 . 1 . 1 66 66 CYS C C 13 175.052 . . . . . . . . 66 CYS C . 52447 1 443 . 1 . 1 66 66 CYS CA C 13 54.665 . . . . . . . . 66 CYS CA . 52447 1 444 . 1 . 1 66 66 CYS CB C 13 42.961 . . . . . . . . 66 CYS CB . 52447 1 445 . 1 . 1 66 66 CYS N N 15 114.731 . . . . . . . . 66 CYS N . 52447 1 446 . 1 . 1 67 67 LYS H H 1 8.142 . . . . . . . . 67 LYS HN . 52447 1 447 . 1 . 1 67 67 LYS HA H 1 4.417 . . . . . . . . 67 LYS HA . 52447 1 448 . 1 . 1 67 67 LYS C C 13 175.447 . . . . . . . . 67 LYS C . 52447 1 449 . 1 . 1 67 67 LYS CA C 13 57.313 . . . . . . . . 67 LYS CA . 52447 1 450 . 1 . 1 67 67 LYS CB C 13 33.451 . . . . . . . . 67 LYS CB . 52447 1 451 . 1 . 1 67 67 LYS CG C 13 24.957 . . . . . . . . 67 LYS CG . 52447 1 452 . 1 . 1 67 67 LYS CD C 13 28.835 . . . . . . . . 67 LYS CD . 52447 1 453 . 1 . 1 67 67 LYS CE C 13 42.107 . . . . . . . . 67 LYS CE . 52447 1 454 . 1 . 1 67 67 LYS N N 15 121.411 . . . . . . . . 67 LYS N . 52447 1 455 . 1 . 1 68 68 VAL H H 1 8.137 . . . . . . . . 68 VAL HN . 52447 1 456 . 1 . 1 68 68 VAL HA H 1 3.827 . . . . . . . . 68 VAL HA . 52447 1 457 . 1 . 1 68 68 VAL C C 13 174.643 . . . . . . . . 68 VAL C . 52447 1 458 . 1 . 1 68 68 VAL CA C 13 61.377 . . . . . . . . 68 VAL CA . 52447 1 459 . 1 . 1 68 68 VAL CB C 13 34.285 . . . . . . . . 68 VAL CB . 52447 1 460 . 1 . 1 68 68 VAL CG1 C 13 20.920 . . . . . . . . 68 VAL CG1 . 52447 1 461 . 1 . 1 68 68 VAL CG2 C 13 20.920 . . . . . . . . 68 VAL CG2 . 52447 1 462 . 1 . 1 68 68 VAL N N 15 121.242 . . . . . . . . 68 VAL N . 52447 1 463 . 1 . 1 69 69 ALA H H 1 8.614 . . . . . . . . 69 ALA HN . 52447 1 464 . 1 . 1 69 69 ALA HA H 1 3.941 . . . . . . . . 69 ALA HA . 52447 1 465 . 1 . 1 69 69 ALA C C 13 179.840 . . . . . . . . 69 ALA C . 52447 1 466 . 1 . 1 69 69 ALA CA C 13 52.854 . . . . . . . . 69 ALA CA . 52447 1 467 . 1 . 1 69 69 ALA CB C 13 17.079 . . . . . . . . 69 ALA CB . 52447 1 468 . 1 . 1 69 69 ALA N N 15 130.337 . . . . . . . . 69 ALA N . 52447 1 469 . 1 . 1 70 70 GLY H H 1 9.302 . . . . . . . . 70 GLY HN . 52447 1 470 . 1 . 1 70 70 GLY HA2 H 1 3.804 . . . . . . . . 70 GLY QA . 52447 1 471 . 1 . 1 70 70 GLY HA3 H 1 3.804 . . . . . . . . 70 GLY QA . 52447 1 472 . 1 . 1 70 70 GLY C C 13 173.018 . . . . . . . . 70 GLY C . 52447 1 473 . 1 . 1 70 70 GLY CA C 13 44.400 . . . . . . . . 70 GLY CA . 52447 1 474 . 1 . 1 70 70 GLY N N 15 110.594 . . . . . . . . 70 GLY N . 52447 1 475 . 1 . 1 71 71 ALA H H 1 7.480 . . . . . . . . 71 ALA HN . 52447 1 476 . 1 . 1 71 71 ALA HA H 1 4.669 . . . . . . . . 71 ALA HA . 52447 1 477 . 1 . 1 71 71 ALA C C 13 175.423 . . . . . . . . 71 ALA C . 52447 1 478 . 1 . 1 71 71 ALA CA C 13 49.981 . . . . . . . . 71 ALA CA . 52447 1 479 . 1 . 1 71 71 ALA CB C 13 16.550 . . . . . . . . 71 ALA CB . 52447 1 480 . 1 . 1 71 71 ALA N N 15 125.328 . . . . . . . . 71 ALA N . 52447 1 481 . 1 . 1 72 72 TRP H H 1 7.531 . . . . . . . . 72 TRP HN . 52447 1 482 . 1 . 1 72 72 TRP HA H 1 4.352 . . . . . . . . 72 TRP HA . 52447 1 483 . 1 . 1 72 72 TRP C C 13 176.375 . . . . . . . . 72 TRP C . 52447 1 484 . 1 . 1 72 72 TRP CA C 13 58.531 . . . . . . . . 72 TRP CA . 52447 1 485 . 1 . 1 72 72 TRP CB C 13 30.167 . . . . . . . . 72 TRP CB . 52447 1 486 . 1 . 1 72 72 TRP N N 15 124.129 . . . . . . . . 72 TRP N . 52447 1 487 . 1 . 1 73 73 SER H H 1 8.883 . . . . . . . . 73 SER HN . 52447 1 488 . 1 . 1 73 73 SER HA H 1 4.723 . . . . . . . . 73 SER HA . 52447 1 489 . 1 . 1 73 73 SER C C 13 173.067 . . . . . . . . 73 SER C . 52447 1 490 . 1 . 1 73 73 SER CA C 13 57.081 . . . . . . . . 73 SER CA . 52447 1 491 . 1 . 1 73 73 SER CB C 13 66.740 . . . . . . . . 73 SER CB . 52447 1 492 . 1 . 1 73 73 SER N N 15 115.434 . . . . . . . . 73 SER N . 52447 1 493 . 1 . 1 74 74 TRP H H 1 8.941 . . . . . . . . 74 TRP HN . 52447 1 494 . 1 . 1 74 74 TRP HA H 1 5.841 . . . . . . . . 74 TRP HA . 52447 1 495 . 1 . 1 74 74 TRP C C 13 180.770 . . . . . . . . 74 TRP C . 52447 1 496 . 1 . 1 74 74 TRP CA C 13 54.920 . . . . . . . . 74 TRP CA . 52447 1 497 . 1 . 1 74 74 TRP CB C 13 32.578 . . . . . . . . 74 TRP CB . 52447 1 498 . 1 . 1 74 74 TRP N N 15 120.647 . . . . . . . . 74 TRP N . 52447 1 499 . 1 . 1 75 75 THR H H 1 9.226 . . . . . . . . 75 THR HN . 52447 1 500 . 1 . 1 75 75 THR HA H 1 4.189 . . . . . . . . 75 THR HA . 52447 1 501 . 1 . 1 75 75 THR C C 13 175.496 . . . . . . . . 75 THR C . 52447 1 502 . 1 . 1 75 75 THR CA C 13 64.042 . . . . . . . . 75 THR CA . 52447 1 503 . 1 . 1 75 75 THR CB C 13 70.265 . . . . . . . . 75 THR CB . 52447 1 504 . 1 . 1 75 75 THR CG2 C 13 25.899 . . . . . . . . 75 THR CG2 . 52447 1 505 . 1 . 1 75 75 THR N N 15 116.417 . . . . . . . . 75 THR N . 52447 1 506 . 1 . 1 76 76 ASP H H 1 7.956 . . . . . . . . 76 ASP HN . 52447 1 507 . 1 . 1 76 76 ASP HA H 1 3.453 . . . . . . . . 76 ASP HA . 52447 1 508 . 1 . 1 76 76 ASP C C 13 177.275 . . . . . . . . 76 ASP C . 52447 1 509 . 1 . 1 76 76 ASP CA C 13 52.800 . . . . . . . . 76 ASP CA . 52447 1 510 . 1 . 1 76 76 ASP CB C 13 40.342 . . . . . . . . 76 ASP CB . 52447 1 511 . 1 . 1 76 76 ASP N N 15 117.394 . . . . . . . . 76 ASP N . 52447 1 512 . 1 . 1 77 77 GLY H H 1 8.082 . . . . . . . . 77 GLY HN . 52447 1 513 . 1 . 1 77 77 GLY HA2 H 1 4.045 . . . . . . . . 77 GLY HA1 . 52447 1 514 . 1 . 1 77 77 GLY HA3 H 1 4.179 . . . . . . . . 77 GLY HA2 . 52447 1 515 . 1 . 1 77 77 GLY C C 13 174.901 . . . . . . . . 77 GLY C . 52447 1 516 . 1 . 1 77 77 GLY CA C 13 45.879 . . . . . . . . 77 GLY CA . 52447 1 517 . 1 . 1 77 77 GLY N N 15 107.301 . . . . . . . . 77 GLY N . 52447 1 518 . 1 . 1 78 78 THR H H 1 8.214 . . . . . . . . 78 THR HN . 52447 1 519 . 1 . 1 78 78 THR HA H 1 4.538 . . . . . . . . 78 THR HA . 52447 1 520 . 1 . 1 78 78 THR CA C 13 60.954 . . . . . . . . 78 THR CA . 52447 1 521 . 1 . 1 78 78 THR CB C 13 68.068 . . . . . . . . 78 THR CB . 52447 1 522 . 1 . 1 78 78 THR N N 15 114.615 . . . . . . . . 78 THR N . 52447 1 523 . 1 . 1 79 79 PRO HA H 1 4.655 . . . . . . . . 79 PRO HA . 52447 1 524 . 1 . 1 79 79 PRO C C 13 177.313 . . . . . . . . 79 PRO C . 52447 1 525 . 1 . 1 79 79 PRO CA C 13 63.134 . . . . . . . . 79 PRO CA . 52447 1 526 . 1 . 1 79 79 PRO CB C 13 32.173 . . . . . . . . 79 PRO CB . 52447 1 527 . 1 . 1 79 79 PRO CG C 13 27.782 . . . . . . . . 79 PRO CG . 52447 1 528 . 1 . 1 79 79 PRO CD C 13 50.289 . . . . . . . . 79 PRO CD . 52447 1 529 . 1 . 1 80 80 VAL H H 1 8.785 . . . . . . . . 80 VAL HN . 52447 1 530 . 1 . 1 80 80 VAL HA H 1 4.909 . . . . . . . . 80 VAL HA . 52447 1 531 . 1 . 1 80 80 VAL C C 13 175.707 . . . . . . . . 80 VAL C . 52447 1 532 . 1 . 1 80 80 VAL CA C 13 61.269 . . . . . . . . 80 VAL CA . 52447 1 533 . 1 . 1 80 80 VAL CB C 13 28.678 . . . . . . . . 80 VAL CB . 52447 1 534 . 1 . 1 80 80 VAL CG1 C 13 19.652 . . . . . . . . 80 VAL CG1 . 52447 1 535 . 1 . 1 80 80 VAL CG2 C 13 21.343 . . . . . . . . 80 VAL CG2 . 52447 1 536 . 1 . 1 80 80 VAL N N 15 121.775 . . . . . . . . 80 VAL N . 52447 1 537 . 1 . 1 81 81 ASP H H 1 9.273 . . . . . . . . 81 ASP HN . 52447 1 538 . 1 . 1 81 81 ASP HA H 1 4.747 . . . . . . . . 81 ASP HA . 52447 1 539 . 1 . 1 81 81 ASP C C 13 175.669 . . . . . . . . 81 ASP C . 52447 1 540 . 1 . 1 81 81 ASP CA C 13 53.013 . . . . . . . . 81 ASP CA . 52447 1 541 . 1 . 1 81 81 ASP CB C 13 40.131 . . . . . . . . 81 ASP CB . 52447 1 542 . 1 . 1 81 81 ASP N N 15 126.403 . . . . . . . . 81 ASP N . 52447 1 543 . 1 . 1 82 82 TYR H H 1 9.088 . . . . . . . . 82 TYR HN . 52447 1 544 . 1 . 1 82 82 TYR HA H 1 4.517 . . . . . . . . 82 TYR HA . 52447 1 545 . 1 . 1 82 82 TYR C C 13 174.069 . . . . . . . . 82 TYR C . 52447 1 546 . 1 . 1 82 82 TYR CA C 13 58.348 . . . . . . . . 82 TYR CA . 52447 1 547 . 1 . 1 82 82 TYR CB C 13 40.996 . . . . . . . . 82 TYR CB . 52447 1 548 . 1 . 1 82 82 TYR N N 15 124.972 . . . . . . . . 82 TYR N . 52447 1 549 . 1 . 1 83 83 ARG H H 1 7.318 . . . . . . . . 83 ARG HN . 52447 1 550 . 1 . 1 83 83 ARG HA H 1 4.201 . . . . . . . . 83 ARG HA . 52447 1 551 . 1 . 1 83 83 ARG C C 13 173.517 . . . . . . . . 83 ARG C . 52447 1 552 . 1 . 1 83 83 ARG CA C 13 54.158 . . . . . . . . 83 ARG CA . 52447 1 553 . 1 . 1 83 83 ARG CB C 13 33.377 . . . . . . . . 83 ARG CB . 52447 1 554 . 1 . 1 83 83 ARG CG C 13 27.057 . . . . . . . . 83 ARG CG . 52447 1 555 . 1 . 1 83 83 ARG CD C 13 43.744 . . . . . . . . 83 ARG CD . 52447 1 556 . 1 . 1 83 83 ARG N N 15 122.616 . . . . . . . . 83 ARG N . 52447 1 557 . 1 . 1 84 84 THR H H 1 3.121 . . . . . . . . 84 THR HN . 52447 1 558 . 1 . 1 84 84 THR HA H 1 3.877 . . . . . . . . 84 THR HA . 52447 1 559 . 1 . 1 84 84 THR C C 13 172.687 . . . . . . . . 84 THR C . 52447 1 560 . 1 . 1 84 84 THR CA C 13 56.423 . . . . . . . . 84 THR CA . 52447 1 561 . 1 . 1 84 84 THR CB C 13 68.191 . . . . . . . . 84 THR CB . 52447 1 562 . 1 . 1 84 84 THR CG2 C 13 17.513 . . . . . . . . 84 THR CG2 . 52447 1 563 . 1 . 1 84 84 THR N N 15 113.868 . . . . . . . . 84 THR N . 52447 1 564 . 1 . 1 85 85 TRP H H 1 7.363 . . . . . . . . 85 TRP HN . 52447 1 565 . 1 . 1 85 85 TRP HA H 1 4.489 . . . . . . . . 85 TRP HA . 52447 1 566 . 1 . 1 85 85 TRP C C 13 177.759 . . . . . . . . 85 TRP C . 52447 1 567 . 1 . 1 85 85 TRP CA C 13 56.772 . . . . . . . . 85 TRP CA . 52447 1 568 . 1 . 1 85 85 TRP CB C 13 30.392 . . . . . . . . 85 TRP CB . 52447 1 569 . 1 . 1 85 85 TRP N N 15 124.061 . . . . . . . . 85 TRP N . 52447 1 570 . 1 . 1 86 86 CYS H H 1 10.285 . . . . . . . . 86 CYS HN . 52447 1 571 . 1 . 1 86 86 CYS HA H 1 4.781 . . . . . . . . 86 CYS HA . 52447 1 572 . 1 . 1 86 86 CYS CA C 13 53.346 . . . . . . . . 86 CYS CA . 52447 1 573 . 1 . 1 86 86 CYS CB C 13 37.594 . . . . . . . . 86 CYS CB . 52447 1 574 . 1 . 1 86 86 CYS N N 15 123.660 . . . . . . . . 86 CYS N . 52447 1 575 . 1 . 1 88 88 THR HA H 1 4.022 . . . . . . . . 88 THR HA . 52447 1 576 . 1 . 1 88 88 THR C C 13 171.363 . . . . . . . . 88 THR C . 52447 1 577 . 1 . 1 88 88 THR CA C 13 65.574 . . . . . . . . 88 THR CA . 52447 1 578 . 1 . 1 88 88 THR CB C 13 69.246 . . . . . . . . 88 THR CB . 52447 1 579 . 1 . 1 88 88 THR CG2 C 13 21.747 . . . . . . . . 88 THR CG2 . 52447 1 580 . 1 . 1 89 89 LYS H H 1 8.207 . . . . . . . . 89 LYS HN . 52447 1 581 . 1 . 1 89 89 LYS HA H 1 4.140 . . . . . . . . 89 LYS HA . 52447 1 582 . 1 . 1 89 89 LYS CA C 13 51.587 . . . . . . . . 89 LYS CA . 52447 1 583 . 1 . 1 89 89 LYS CB C 13 29.600 . . . . . . . . 89 LYS CB . 52447 1 584 . 1 . 1 89 89 LYS N N 15 120.876 . . . . . . . . 89 LYS N . 52447 1 585 . 1 . 1 93 93 ILE HA H 1 4.447 . . . . . . . . 93 ILE HA . 52447 1 586 . 1 . 1 93 93 ILE C C 13 177.226 . . . . . . . . 93 ILE C . 52447 1 587 . 1 . 1 93 93 ILE CA C 13 59.125 . . . . . . . . 93 ILE CA . 52447 1 588 . 1 . 1 93 93 ILE CB C 13 40.462 . . . . . . . . 93 ILE CB . 52447 1 589 . 1 . 1 93 93 ILE CG1 C 13 26.335 . . . . . . . . 93 ILE CG1 . 52447 1 590 . 1 . 1 93 93 ILE CG2 C 13 17.912 . . . . . . . . 93 ILE CG2 . 52447 1 591 . 1 . 1 93 93 ILE CD1 C 13 13.087 . . . . . . . . 93 ILE CD1 . 52447 1 592 . 1 . 1 94 94 LEU H H 1 8.676 . . . . . . . . 94 LEU HN . 52447 1 593 . 1 . 1 94 94 LEU HA H 1 3.782 . . . . . . . . 94 LEU HA . 52447 1 594 . 1 . 1 94 94 LEU C C 13 177.569 . . . . . . . . 94 LEU C . 52447 1 595 . 1 . 1 94 94 LEU CA C 13 57.935 . . . . . . . . 94 LEU CA . 52447 1 596 . 1 . 1 94 94 LEU CB C 13 41.713 . . . . . . . . 94 LEU CB . 52447 1 597 . 1 . 1 94 94 LEU CG C 13 27.392 . . . . . . . . 94 LEU CG . 52447 1 598 . 1 . 1 94 94 LEU CD1 C 13 22.770 . . . . . . . . 94 LEU CD1 . 52447 1 599 . 1 . 1 94 94 LEU CD2 C 13 25.010 . . . . . . . . 94 LEU CD2 . 52447 1 600 . 1 . 1 94 94 LEU N N 15 126.273 . . . . . . . . 94 LEU N . 52447 1 601 . 1 . 1 95 95 SER H H 1 7.658 . . . . . . . . 95 SER HN . 52447 1 602 . 1 . 1 95 95 SER HA H 1 4.074 . . . . . . . . 95 SER HA . 52447 1 603 . 1 . 1 95 95 SER C C 13 175.558 . . . . . . . . 95 SER C . 52447 1 604 . 1 . 1 95 95 SER CA C 13 60.403 . . . . . . . . 95 SER CA . 52447 1 605 . 1 . 1 95 95 SER CB C 13 62.933 . . . . . . . . 95 SER CB . 52447 1 606 . 1 . 1 95 95 SER N N 15 109.196 . . . . . . . . 95 SER N . 52447 1 607 . 1 . 1 96 96 ASP H H 1 7.378 . . . . . . . . 96 ASP HN . 52447 1 608 . 1 . 1 96 96 ASP HA H 1 4.612 . . . . . . . . 96 ASP HA . 52447 1 609 . 1 . 1 96 96 ASP C C 13 174.594 . . . . . . . . 96 ASP C . 52447 1 610 . 1 . 1 96 96 ASP CA C 13 51.149 . . . . . . . . 96 ASP CA . 52447 1 611 . 1 . 1 96 96 ASP CB C 13 39.546 . . . . . . . . 96 ASP CB . 52447 1 612 . 1 . 1 96 96 ASP N N 15 125.756 . . . . . . . . 96 ASP N . 52447 1 613 . 1 . 1 97 97 CYS H H 1 7.592 . . . . . . . . 97 CYS HN . 52447 1 614 . 1 . 1 97 97 CYS HA H 1 5.215 . . . . . . . . 97 CYS HA . 52447 1 615 . 1 . 1 97 97 CYS C C 13 172.015 . . . . . . . . 97 CYS C . 52447 1 616 . 1 . 1 97 97 CYS CA C 13 57.171 . . . . . . . . 97 CYS CA . 52447 1 617 . 1 . 1 97 97 CYS CB C 13 46.529 . . . . . . . . 97 CYS CB . 52447 1 618 . 1 . 1 97 97 CYS N N 15 110.928 . . . . . . . . 97 CYS N . 52447 1 619 . 1 . 1 98 98 CYS H H 1 8.425 . . . . . . . . 98 CYS HN . 52447 1 620 . 1 . 1 98 98 CYS HA H 1 4.715 . . . . . . . . 98 CYS HA . 52447 1 621 . 1 . 1 98 98 CYS C C 13 172.429 . . . . . . . . 98 CYS C . 52447 1 622 . 1 . 1 98 98 CYS CA C 13 60.293 . . . . . . . . 98 CYS CA . 52447 1 623 . 1 . 1 98 98 CYS CB C 13 47.800 . . . . . . . . 98 CYS CB . 52447 1 624 . 1 . 1 98 98 CYS N N 15 118.762 . . . . . . . . 98 CYS N . 52447 1 625 . 1 . 1 99 99 MET H H 1 8.357 . . . . . . . . 99 MET HN . 52447 1 626 . 1 . 1 99 99 MET HA H 1 4.783 . . . . . . . . 99 MET HA . 52447 1 627 . 1 . 1 99 99 MET C C 13 173.675 . . . . . . . . 99 MET C . 52447 1 628 . 1 . 1 99 99 MET CA C 13 56.493 . . . . . . . . 99 MET CA . 52447 1 629 . 1 . 1 99 99 MET CB C 13 39.442 . . . . . . . . 99 MET CB . 52447 1 630 . 1 . 1 99 99 MET CG C 13 29.102 . . . . . . . . 99 MET CG . 52447 1 631 . 1 . 1 99 99 MET N N 15 124.070 . . . . . . . . 99 MET N . 52447 1 632 . 1 . 1 100 100 GLN H H 1 9.083 . . . . . . . . 100 GLN HN . 52447 1 633 . 1 . 1 100 100 GLN HA H 1 5.537 . . . . . . . . 100 GLN HA . 52447 1 634 . 1 . 1 100 100 GLN C C 13 175.708 . . . . . . . . 100 GLN C . 52447 1 635 . 1 . 1 100 100 GLN CA C 13 52.564 . . . . . . . . 100 GLN CA . 52447 1 636 . 1 . 1 100 100 GLN CB C 13 33.385 . . . . . . . . 100 GLN CB . 52447 1 637 . 1 . 1 100 100 GLN CG C 13 34.739 . . . . . . . . 100 GLN CG . 52447 1 638 . 1 . 1 100 100 GLN N N 15 120.292 . . . . . . . . 100 GLN N . 52447 1 639 . 1 . 1 101 101 MET H H 1 8.802 . . . . . . . . 101 MET HN . 52447 1 640 . 1 . 1 101 101 MET HA H 1 4.399 . . . . . . . . 101 MET HA . 52447 1 641 . 1 . 1 101 101 MET C C 13 175.310 . . . . . . . . 101 MET C . 52447 1 642 . 1 . 1 101 101 MET CA C 13 56.412 . . . . . . . . 101 MET CA . 52447 1 643 . 1 . 1 101 101 MET CB C 13 34.705 . . . . . . . . 101 MET CB . 52447 1 644 . 1 . 1 101 101 MET CG C 13 33.392 . . . . . . . . 101 MET CG . 52447 1 645 . 1 . 1 101 101 MET N N 15 118.530 . . . . . . . . 101 MET N . 52447 1 646 . 1 . 1 102 102 THR H H 1 7.838 . . . . . . . . 102 THR HN . 52447 1 647 . 1 . 1 102 102 THR HA H 1 4.188 . . . . . . . . 102 THR HA . 52447 1 648 . 1 . 1 102 102 THR C C 13 171.671 . . . . . . . . 102 THR C . 52447 1 649 . 1 . 1 102 102 THR CA C 13 62.164 . . . . . . . . 102 THR CA . 52447 1 650 . 1 . 1 102 102 THR CB C 13 71.414 . . . . . . . . 102 THR CB . 52447 1 651 . 1 . 1 102 102 THR CG2 C 13 22.972 . . . . . . . . 102 THR CG2 . 52447 1 652 . 1 . 1 102 102 THR N N 15 111.655 . . . . . . . . 102 THR N . 52447 1 653 . 1 . 1 103 103 ALA H H 1 8.198 . . . . . . . . 103 ALA HN . 52447 1 654 . 1 . 1 103 103 ALA HA H 1 4.262 . . . . . . . . 103 ALA HA . 52447 1 655 . 1 . 1 103 103 ALA C C 13 177.344 . . . . . . . . 103 ALA C . 52447 1 656 . 1 . 1 103 103 ALA CA C 13 51.451 . . . . . . . . 103 ALA CA . 52447 1 657 . 1 . 1 103 103 ALA CB C 13 17.995 . . . . . . . . 103 ALA CB . 52447 1 658 . 1 . 1 103 103 ALA N N 15 116.069 . . . . . . . . 103 ALA N . 52447 1 659 . 1 . 1 104 104 ALA H H 1 7.040 . . . . . . . . 104 ALA HN . 52447 1 660 . 1 . 1 104 104 ALA HA H 1 4.324 . . . . . . . . 104 ALA HA . 52447 1 661 . 1 . 1 104 104 ALA C C 13 179.811 . . . . . . . . 104 ALA C . 52447 1 662 . 1 . 1 104 104 ALA CA C 13 52.514 . . . . . . . . 104 ALA CA . 52447 1 663 . 1 . 1 104 104 ALA CB C 13 20.881 . . . . . . . . 104 ALA CB . 52447 1 664 . 1 . 1 104 104 ALA N N 15 120.590 . . . . . . . . 104 ALA N . 52447 1 665 . 1 . 1 105 105 VAL H H 1 8.741 . . . . . . . . 105 VAL HN . 52447 1 666 . 1 . 1 105 105 VAL HA H 1 3.801 . . . . . . . . 105 VAL HA . 52447 1 667 . 1 . 1 105 105 VAL C C 13 175.923 . . . . . . . . 105 VAL C . 52447 1 668 . 1 . 1 105 105 VAL CA C 13 65.595 . . . . . . . . 105 VAL CA . 52447 1 669 . 1 . 1 105 105 VAL CB C 13 31.456 . . . . . . . . 105 VAL CB . 52447 1 670 . 1 . 1 105 105 VAL CG1 C 13 20.414 . . . . . . . . 105 VAL CG1 . 52447 1 671 . 1 . 1 105 105 VAL CG2 C 13 21.238 . . . . . . . . 105 VAL CG2 . 52447 1 672 . 1 . 1 105 105 VAL N N 15 121.314 . . . . . . . . 105 VAL N . 52447 1 673 . 1 . 1 106 106 ASP H H 1 7.965 . . . . . . . . 106 ASP HN . 52447 1 674 . 1 . 1 106 106 ASP HA H 1 4.348 . . . . . . . . 106 ASP HA . 52447 1 675 . 1 . 1 106 106 ASP C C 13 175.820 . . . . . . . . 106 ASP C . 52447 1 676 . 1 . 1 106 106 ASP CA C 13 52.315 . . . . . . . . 106 ASP CA . 52447 1 677 . 1 . 1 106 106 ASP CB C 13 40.021 . . . . . . . . 106 ASP CB . 52447 1 678 . 1 . 1 106 106 ASP N N 15 115.850 . . . . . . . . 106 ASP N . 52447 1 679 . 1 . 1 107 107 LYS H H 1 8.218 . . . . . . . . 107 LYS HN . 52447 1 680 . 1 . 1 107 107 LYS HA H 1 4.008 . . . . . . . . 107 LYS HA . 52447 1 681 . 1 . 1 107 107 LYS C C 13 174.830 . . . . . . . . 107 LYS C . 52447 1 682 . 1 . 1 107 107 LYS CA C 13 57.526 . . . . . . . . 107 LYS CA . 52447 1 683 . 1 . 1 107 107 LYS CB C 13 30.055 . . . . . . . . 107 LYS CB . 52447 1 684 . 1 . 1 107 107 LYS CG C 13 24.848 . . . . . . . . 107 LYS CG . 52447 1 685 . 1 . 1 107 107 LYS CD C 13 30.342 . . . . . . . . 107 LYS CD . 52447 1 686 . 1 . 1 107 107 LYS CE C 13 41.940 . . . . . . . . 107 LYS CE . 52447 1 687 . 1 . 1 107 107 LYS N N 15 115.987 . . . . . . . . 107 LYS N . 52447 1 688 . 1 . 1 108 108 CYS H H 1 6.846 . . . . . . . . 108 CYS HN . 52447 1 689 . 1 . 1 108 108 CYS HA H 1 4.192 . . . . . . . . 108 CYS HA . 52447 1 690 . 1 . 1 108 108 CYS C C 13 174.838 . . . . . . . . 108 CYS C . 52447 1 691 . 1 . 1 108 108 CYS CA C 13 55.139 . . . . . . . . 108 CYS CA . 52447 1 692 . 1 . 1 108 108 CYS CB C 13 40.256 . . . . . . . . 108 CYS CB . 52447 1 693 . 1 . 1 108 108 CYS N N 15 111.232 . . . . . . . . 108 CYS N . 52447 1 694 . 1 . 1 109 109 TRP H H 1 8.462 . . . . . . . . 109 TRP HN . 52447 1 695 . 1 . 1 109 109 TRP HA H 1 5.968 . . . . . . . . 109 TRP HA . 52447 1 696 . 1 . 1 109 109 TRP C C 13 175.134 . . . . . . . . 109 TRP C . 52447 1 697 . 1 . 1 109 109 TRP CA C 13 53.926 . . . . . . . . 109 TRP CA . 52447 1 698 . 1 . 1 109 109 TRP CB C 13 30.906 . . . . . . . . 109 TRP CB . 52447 1 699 . 1 . 1 109 109 TRP N N 15 123.074 . . . . . . . . 109 TRP N . 52447 1 700 . 1 . 1 110 110 ASP H H 1 9.032 . . . . . . . . 110 ASP HN . 52447 1 701 . 1 . 1 110 110 ASP HA H 1 5.149 . . . . . . . . 110 ASP HA . 52447 1 702 . 1 . 1 110 110 ASP C C 13 172.470 . . . . . . . . 110 ASP C . 52447 1 703 . 1 . 1 110 110 ASP CA C 13 52.909 . . . . . . . . 110 ASP CA . 52447 1 704 . 1 . 1 110 110 ASP CB C 13 44.984 . . . . . . . . 110 ASP CB . 52447 1 705 . 1 . 1 110 110 ASP N N 15 118.934 . . . . . . . . 110 ASP N . 52447 1 706 . 1 . 1 111 111 ASP H H 1 10.523 . . . . . . . . 111 ASP HN . 52447 1 707 . 1 . 1 111 111 ASP HA H 1 5.512 . . . . . . . . 111 ASP HA . 52447 1 708 . 1 . 1 111 111 ASP CA C 13 51.436 . . . . . . . . 111 ASP CA . 52447 1 709 . 1 . 1 111 111 ASP CB C 13 41.199 . . . . . . . . 111 ASP CB . 52447 1 710 . 1 . 1 111 111 ASP N N 15 123.755 . . . . . . . . 111 ASP N . 52447 1 711 . 1 . 1 113 113 PRO HA H 1 4.843 . . . . . . . . 113 PRO HA . 52447 1 712 . 1 . 1 113 113 PRO C C 13 176.653 . . . . . . . . 113 PRO C . 52447 1 713 . 1 . 1 113 113 PRO CA C 13 63.858 . . . . . . . . 113 PRO CA . 52447 1 714 . 1 . 1 113 113 PRO CB C 13 32.948 . . . . . . . . 113 PRO CB . 52447 1 715 . 1 . 1 113 113 PRO CG C 13 28.652 . . . . . . . . 113 PRO CG . 52447 1 716 . 1 . 1 113 113 PRO CD C 13 52.071 . . . . . . . . 113 PRO CD . 52447 1 717 . 1 . 1 114 114 CYS H H 1 9.032 . . . . . . . . 114 CYS HN . 52447 1 718 . 1 . 1 114 114 CYS HA H 1 4.331 . . . . . . . . 114 CYS HA . 52447 1 719 . 1 . 1 114 114 CYS CA C 13 58.748 . . . . . . . . 114 CYS CA . 52447 1 720 . 1 . 1 114 114 CYS CB C 13 43.309 . . . . . . . . 114 CYS CB . 52447 1 721 . 1 . 1 114 114 CYS N N 15 125.344 . . . . . . . . 114 CYS N . 52447 1 722 . 1 . 1 115 115 PRO HA H 1 4.719 . . . . . . . . 115 PRO HA . 52447 1 723 . 1 . 1 115 115 PRO C C 13 176.300 . . . . . . . . 115 PRO C . 52447 1 724 . 1 . 1 115 115 PRO CA C 13 63.993 . . . . . . . . 115 PRO CA . 52447 1 725 . 1 . 1 115 115 PRO CB C 13 31.437 . . . . . . . . 115 PRO CB . 52447 1 726 . 1 . 1 115 115 PRO CG C 13 28.250 . . . . . . . . 115 PRO CG . 52447 1 727 . 1 . 1 115 115 PRO CD C 13 52.122 . . . . . . . . 115 PRO CD . 52447 1 728 . 1 . 1 116 116 ALA H H 1 8.192 . . . . . . . . 116 ALA HN . 52447 1 729 . 1 . 1 116 116 ALA HA H 1 4.262 . . . . . . . . 116 ALA HA . 52447 1 730 . 1 . 1 116 116 ALA C C 13 175.950 . . . . . . . . 116 ALA C . 52447 1 731 . 1 . 1 116 116 ALA CA C 13 53.215 . . . . . . . . 116 ALA CA . 52447 1 732 . 1 . 1 116 116 ALA CB C 13 18.718 . . . . . . . . 116 ALA CB . 52447 1 733 . 1 . 1 116 116 ALA N N 15 122.328 . . . . . . . . 116 ALA N . 52447 1 734 . 1 . 1 117 117 SER H H 1 7.742 . . . . . . . . 117 SER HN . 52447 1 735 . 1 . 1 117 117 SER HA H 1 4.504 . . . . . . . . 117 SER HA . 52447 1 736 . 1 . 1 117 117 SER C C 13 174.358 . . . . . . . . 117 SER C . 52447 1 737 . 1 . 1 117 117 SER CA C 13 57.021 . . . . . . . . 117 SER CA . 52447 1 738 . 1 . 1 117 117 SER CB C 13 63.155 . . . . . . . . 117 SER CB . 52447 1 739 . 1 . 1 117 117 SER N N 15 114.628 . . . . . . . . 117 SER N . 52447 1 740 . 1 . 1 118 118 HIS H H 1 8.801 . . . . . . . . 118 HIS HN . 52447 1 741 . 1 . 1 118 118 HIS HA H 1 4.841 . . . . . . . . 118 HIS HA . 52447 1 742 . 1 . 1 118 118 HIS C C 13 175.989 . . . . . . . . 118 HIS C . 52447 1 743 . 1 . 1 118 118 HIS CA C 13 55.261 . . . . . . . . 118 HIS CA . 52447 1 744 . 1 . 1 118 118 HIS CB C 13 34.023 . . . . . . . . 118 HIS CB . 52447 1 745 . 1 . 1 118 118 HIS N N 15 122.549 . . . . . . . . 118 HIS N . 52447 1 746 . 1 . 1 119 119 ALA H H 1 8.698 . . . . . . . . 119 ALA HN . 52447 1 747 . 1 . 1 119 119 ALA HA H 1 4.441 . . . . . . . . 119 ALA HA . 52447 1 748 . 1 . 1 119 119 ALA C C 13 174.158 . . . . . . . . 119 ALA C . 52447 1 749 . 1 . 1 119 119 ALA CA C 13 53.437 . . . . . . . . 119 ALA CA . 52447 1 750 . 1 . 1 119 119 ALA CB C 13 19.626 . . . . . . . . 119 ALA CB . 52447 1 751 . 1 . 1 119 119 ALA N N 15 125.995 . . . . . . . . 119 ALA N . 52447 1 752 . 1 . 1 120 120 SER H H 1 8.822 . . . . . . . . 120 SER HN . 52447 1 753 . 1 . 1 120 120 SER HA H 1 5.338 . . . . . . . . 120 SER HA . 52447 1 754 . 1 . 1 120 120 SER C C 13 172.572 . . . . . . . . 120 SER C . 52447 1 755 . 1 . 1 120 120 SER CA C 13 58.588 . . . . . . . . 120 SER CA . 52447 1 756 . 1 . 1 120 120 SER CB C 13 65.919 . . . . . . . . 120 SER CB . 52447 1 757 . 1 . 1 120 120 SER N N 15 108.550 . . . . . . . . 120 SER N . 52447 1 758 . 1 . 1 121 121 ILE H H 1 7.140 . . . . . . . . 121 ILE HN . 52447 1 759 . 1 . 1 121 121 ILE HA H 1 5.381 . . . . . . . . 121 ILE HA . 52447 1 760 . 1 . 1 121 121 ILE C C 13 175.527 . . . . . . . . 121 ILE C . 52447 1 761 . 1 . 1 121 121 ILE CA C 13 57.998 . . . . . . . . 121 ILE CA . 52447 1 762 . 1 . 1 121 121 ILE CB C 13 40.829 . . . . . . . . 121 ILE CB . 52447 1 763 . 1 . 1 121 121 ILE CG1 C 13 27.170 . . . . . . . . 121 ILE CG1 . 52447 1 764 . 1 . 1 121 121 ILE CG2 C 13 17.388 . . . . . . . . 121 ILE CG2 . 52447 1 765 . 1 . 1 121 121 ILE CD1 C 13 13.393 . . . . . . . . 121 ILE CD1 . 52447 1 766 . 1 . 1 121 121 ILE N N 15 115.757 . . . . . . . . 121 ILE N . 52447 1 767 . 1 . 1 122 122 CYS H H 1 9.392 . . . . . . . . 122 CYS HN . 52447 1 768 . 1 . 1 122 122 CYS HA H 1 5.719 . . . . . . . . 122 CYS HA . 52447 1 769 . 1 . 1 122 122 CYS C C 13 174.057 . . . . . . . . 122 CYS C . 52447 1 770 . 1 . 1 122 122 CYS CA C 13 51.628 . . . . . . . . 122 CYS CA . 52447 1 771 . 1 . 1 122 122 CYS CB C 13 38.924 . . . . . . . . 122 CYS CB . 52447 1 772 . 1 . 1 122 122 CYS N N 15 123.466 . . . . . . . . 122 CYS N . 52447 1 773 . 1 . 1 123 123 ALA H H 1 9.441 . . . . . . . . 123 ALA HN . 52447 1 774 . 1 . 1 123 123 ALA HA H 1 6.094 . . . . . . . . 123 ALA HA . 52447 1 775 . 1 . 1 123 123 ALA C C 13 177.084 . . . . . . . . 123 ALA C . 52447 1 776 . 1 . 1 123 123 ALA CA C 13 51.164 . . . . . . . . 123 ALA CA . 52447 1 777 . 1 . 1 123 123 ALA CB C 13 24.037 . . . . . . . . 123 ALA CB . 52447 1 778 . 1 . 1 123 123 ALA N N 15 120.877 . . . . . . . . 123 ALA N . 52447 1 779 . 1 . 1 124 124 LYS H H 1 8.870 . . . . . . . . 124 LYS HN . 52447 1 780 . 1 . 1 124 124 LYS HA H 1 4.648 . . . . . . . . 124 LYS HA . 52447 1 781 . 1 . 1 124 124 LYS C C 13 173.402 . . . . . . . . 124 LYS C . 52447 1 782 . 1 . 1 124 124 LYS CA C 13 55.234 . . . . . . . . 124 LYS CA . 52447 1 783 . 1 . 1 124 124 LYS CB C 13 35.829 . . . . . . . . 124 LYS CB . 52447 1 784 . 1 . 1 124 124 LYS CG C 13 21.394 . . . . . . . . 124 LYS CG . 52447 1 785 . 1 . 1 124 124 LYS CD C 13 29.954 . . . . . . . . 124 LYS CD . 52447 1 786 . 1 . 1 124 124 LYS N N 15 117.609 . . . . . . . . 124 LYS N . 52447 1 787 . 1 . 1 125 125 ALA H H 1 8.648 . . . . . . . . 125 ALA HN . 52447 1 788 . 1 . 1 125 125 ALA HA H 1 4.216 . . . . . . . . 125 ALA HA . 52447 1 789 . 1 . 1 125 125 ALA C C 13 177.294 . . . . . . . . 125 ALA C . 52447 1 790 . 1 . 1 125 125 ALA CA C 13 53.601 . . . . . . . . 125 ALA CA . 52447 1 791 . 1 . 1 125 125 ALA CB C 13 19.067 . . . . . . . . 125 ALA CB . 52447 1 792 . 1 . 1 125 125 ALA N N 15 123.476 . . . . . . . . 125 ALA N . 52447 1 793 . 1 . 1 126 126 ALA H H 1 7.745 . . . . . . . . 126 ALA HN . 52447 1 794 . 1 . 1 126 126 ALA HA H 1 4.334 . . . . . . . . 126 ALA HA . 52447 1 795 . 1 . 1 126 126 ALA C C 13 176.103 . . . . . . . . 126 ALA C . 52447 1 796 . 1 . 1 126 126 ALA CA C 13 52.305 . . . . . . . . 126 ALA CA . 52447 1 797 . 1 . 1 126 126 ALA CB C 13 20.155 . . . . . . . . 126 ALA CB . 52447 1 798 . 1 . 1 126 126 ALA N N 15 123.679 . . . . . . . . 126 ALA N . 52447 1 799 . 1 . 1 127 127 ILE H H 1 7.837 . . . . . . . . 127 ILE HN . 52447 1 800 . 1 . 1 127 127 ILE HA H 1 4.179 . . . . . . . . 127 ILE HA . 52447 1 801 . 1 . 1 127 127 ILE CA C 13 62.672 . . . . . . . . 127 ILE CA . 52447 1 802 . 1 . 1 127 127 ILE CB C 13 40.439 . . . . . . . . 127 ILE CB . 52447 1 803 . 1 . 1 127 127 ILE N N 15 122.331 . . . . . . . . 127 ILE N . 52447 1 stop_ save_