data_27707 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27707 _Entry.Title ; Domain 4 of Suilysin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-28 _Entry.Accession_date 2018-11-28 _Entry.Last_release_date 2018-11-30 _Entry.Original_release_date 2018-11-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Freda Jen . . . . 27707 2 Thomas Haselhorst . . . . 27707 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute for Glycomics, Griffith University' . 27707 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27707 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 203 27707 '15N chemical shifts' 102 27707 '1H chemical shifts' 103 27707 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 . . 2019-02-22 . original BMRB . 27707 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27707 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; All major cholesterol-dependent cytolysins use glycans as cellular receptors. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Lucy Shewell . . . . 27707 1 2 Christopher Day . . . . 27707 1 3 Josephine Reijneveld . . . . 27707 1 4 Freda Jen . . . . 27707 1 5 Thomas Haselhorst . . . . 27707 1 6 John Atack . . . . 27707 1 7 Sara Lawrence . . . . 27707 1 8 Michael Parker . . . . 27707 1 9 Stephan Brouwer . . . . 27707 1 10 Christine Gillen . . . . 27707 1 11 Boston Kobe . . . . 27707 1 12 Victor Nizet . . . . 27707 1 13 Mark 'von Itztein' . . . . 27707 1 14 Mark Walker . . . . 27707 1 15 Adrienne Paton . . . . 27707 1 16 James Paton . . . . 27707 1 17 Michael Jennings . . . . 27707 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27707 _Assembly.ID 1 _Assembly.Name 'SLY domain4' _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 'doamin 4' 1 $Streptococcus_suis_suilysin_doamin_4 A . yes native no no . . . 27707 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Streptococcus_suis_suilysin_doamin_4 _Entity.Sf_category entity _Entity.Sf_framecode Streptococcus_suis_suilysin_doamin_4 _Entity.Entry_ID 27707 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Streptococcus_suis_suilysin_doamin_4 _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 ; MSALTLDHSGAYVAKYNITW EEVSYNEAGEEVWEPKAWDK NGVNLTSHWSETIQIPGNAR NLHVNIQECTGLAWEWWRTV YDKDLPLVGQRKITIWGTTL YPQYADEVIE ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27707 1 2 . SER . 27707 1 3 . ALA . 27707 1 4 . LEU . 27707 1 5 . THR . 27707 1 6 . LEU . 27707 1 7 . ASP . 27707 1 8 . HIS . 27707 1 9 . SER . 27707 1 10 . GLY . 27707 1 11 . ALA . 27707 1 12 . TYR . 27707 1 13 . VAL . 27707 1 14 . ALA . 27707 1 15 . LYS . 27707 1 16 . TYR . 27707 1 17 . ASN . 27707 1 18 . ILE . 27707 1 19 . THR . 27707 1 20 . TRP . 27707 1 21 . GLU . 27707 1 22 . GLU . 27707 1 23 . VAL . 27707 1 24 . SER . 27707 1 25 . TYR . 27707 1 26 . ASN . 27707 1 27 . GLU . 27707 1 28 . ALA . 27707 1 29 . GLY . 27707 1 30 . GLU . 27707 1 31 . GLU . 27707 1 32 . VAL . 27707 1 33 . TRP . 27707 1 34 . GLU . 27707 1 35 . PRO . 27707 1 36 . LYS . 27707 1 37 . ALA . 27707 1 38 . TRP . 27707 1 39 . ASP . 27707 1 40 . LYS . 27707 1 41 . ASN . 27707 1 42 . GLY . 27707 1 43 . VAL . 27707 1 44 . ASN . 27707 1 45 . LEU . 27707 1 46 . THR . 27707 1 47 . SER . 27707 1 48 . HIS . 27707 1 49 . TRP . 27707 1 50 . SER . 27707 1 51 . GLU . 27707 1 52 . THR . 27707 1 53 . ILE . 27707 1 54 . GLN . 27707 1 55 . ILE . 27707 1 56 . PRO . 27707 1 57 . GLY . 27707 1 58 . ASN . 27707 1 59 . ALA . 27707 1 60 . ARG . 27707 1 61 . ASN . 27707 1 62 . LEU . 27707 1 63 . HIS . 27707 1 64 . VAL . 27707 1 65 . ASN . 27707 1 66 . ILE . 27707 1 67 . GLN . 27707 1 68 . GLU . 27707 1 69 . CYS . 27707 1 70 . THR . 27707 1 71 . GLY . 27707 1 72 . LEU . 27707 1 73 . ALA . 27707 1 74 . TRP . 27707 1 75 . GLU . 27707 1 76 . TRP . 27707 1 77 . TRP . 27707 1 78 . ARG . 27707 1 79 . THR . 27707 1 80 . VAL . 27707 1 81 . TYR . 27707 1 82 . ASP . 27707 1 83 . LYS . 27707 1 84 . ASP . 27707 1 85 . LEU . 27707 1 86 . PRO . 27707 1 87 . LEU . 27707 1 88 . VAL . 27707 1 89 . GLY . 27707 1 90 . GLN . 27707 1 91 . ARG . 27707 1 92 . LYS . 27707 1 93 . ILE . 27707 1 94 . THR . 27707 1 95 . ILE . 27707 1 96 . TRP . 27707 1 97 . GLY . 27707 1 98 . THR . 27707 1 99 . THR . 27707 1 100 . LEU . 27707 1 101 . TYR . 27707 1 102 . PRO . 27707 1 103 . GLN . 27707 1 104 . TYR . 27707 1 105 . ALA . 27707 1 106 . ASP . 27707 1 107 . GLU . 27707 1 108 . VAL . 27707 1 109 . ILE . 27707 1 110 . GLU . 27707 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27707 1 . SER 2 2 27707 1 . ALA 3 3 27707 1 . LEU 4 4 27707 1 . THR 5 5 27707 1 . LEU 6 6 27707 1 . ASP 7 7 27707 1 . HIS 8 8 27707 1 . SER 9 9 27707 1 . GLY 10 10 27707 1 . ALA 11 11 27707 1 . TYR 12 12 27707 1 . VAL 13 13 27707 1 . ALA 14 14 27707 1 . LYS 15 15 27707 1 . TYR 16 16 27707 1 . ASN 17 17 27707 1 . ILE 18 18 27707 1 . THR 19 19 27707 1 . TRP 20 20 27707 1 . GLU 21 21 27707 1 . GLU 22 22 27707 1 . VAL 23 23 27707 1 . SER 24 24 27707 1 . TYR 25 25 27707 1 . ASN 26 26 27707 1 . GLU 27 27 27707 1 . ALA 28 28 27707 1 . GLY 29 29 27707 1 . GLU 30 30 27707 1 . GLU 31 31 27707 1 . VAL 32 32 27707 1 . TRP 33 33 27707 1 . GLU 34 34 27707 1 . PRO 35 35 27707 1 . LYS 36 36 27707 1 . ALA 37 37 27707 1 . TRP 38 38 27707 1 . ASP 39 39 27707 1 . LYS 40 40 27707 1 . ASN 41 41 27707 1 . GLY 42 42 27707 1 . VAL 43 43 27707 1 . ASN 44 44 27707 1 . LEU 45 45 27707 1 . THR 46 46 27707 1 . SER 47 47 27707 1 . HIS 48 48 27707 1 . TRP 49 49 27707 1 . SER 50 50 27707 1 . GLU 51 51 27707 1 . THR 52 52 27707 1 . ILE 53 53 27707 1 . GLN 54 54 27707 1 . ILE 55 55 27707 1 . PRO 56 56 27707 1 . GLY 57 57 27707 1 . ASN 58 58 27707 1 . ALA 59 59 27707 1 . ARG 60 60 27707 1 . ASN 61 61 27707 1 . LEU 62 62 27707 1 . HIS 63 63 27707 1 . VAL 64 64 27707 1 . ASN 65 65 27707 1 . ILE 66 66 27707 1 . GLN 67 67 27707 1 . GLU 68 68 27707 1 . CYS 69 69 27707 1 . THR 70 70 27707 1 . GLY 71 71 27707 1 . LEU 72 72 27707 1 . ALA 73 73 27707 1 . TRP 74 74 27707 1 . GLU 75 75 27707 1 . TRP 76 76 27707 1 . TRP 77 77 27707 1 . ARG 78 78 27707 1 . THR 79 79 27707 1 . VAL 80 80 27707 1 . TYR 81 81 27707 1 . ASP 82 82 27707 1 . LYS 83 83 27707 1 . ASP 84 84 27707 1 . LEU 85 85 27707 1 . PRO 86 86 27707 1 . LEU 87 87 27707 1 . VAL 88 88 27707 1 . GLY 89 89 27707 1 . GLN 90 90 27707 1 . ARG 91 91 27707 1 . LYS 92 92 27707 1 . ILE 93 93 27707 1 . THR 94 94 27707 1 . ILE 95 95 27707 1 . TRP 96 96 27707 1 . GLY 97 97 27707 1 . THR 98 98 27707 1 . THR 99 99 27707 1 . LEU 100 100 27707 1 . TYR 101 101 27707 1 . PRO 102 102 27707 1 . GLN 103 103 27707 1 . TYR 104 104 27707 1 . ALA 105 105 27707 1 . ASP 106 106 27707 1 . GLU 107 107 27707 1 . VAL 108 108 27707 1 . ILE 109 109 27707 1 . GLU 110 110 27707 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 27707 _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 $Streptococcus_suis_suilysin_doamin_4 . 1307 bacteria . 'Streptococcus suis' . . . bacteria terrabacteria Streptococcus suis . . . . . . . . . . . . . 27707 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 27707 _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 $Streptococcus_suis_suilysin_doamin_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Streptococcus suis' . . . . . pET15b . . . 27707 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27707 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% D2O/90% H2O' _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 'Streptococcus suis suilysin doamin 4' '[U-100% 13C; U-100% 15N]' . . 1 $Streptococcus_suis_suilysin_doamin_4 . . 0.5mM . . mM . . . . 27707 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 27707 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 27707 1 pressure 1 . atm 27707 1 temperature 298 . K 27707 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27707 _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 . . 27707 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27707 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27707 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27707 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent DD2 . 600 . . . 27707 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 27707 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27707 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27707 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27707 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27707 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27707 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27707 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27707 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 1 1 MET H H 1 8.242 0.003 . 1 . . . . . 1 MET H . 27707 1 2 . 1 1 1 1 MET C C 13 34.088 0.043 . 1 . . . . . 1 MET C . 27707 1 3 . 1 1 1 1 MET CA C 13 56.447 0.000 . 1 . . . . . 1 MET CA . 27707 1 4 . 1 1 1 1 MET N N 15 120.397 0.040 . 1 . . . . . 1 MET N . 27707 1 5 . 1 1 2 2 SER H H 1 9.201 0.001 . 1 . . . . . 2 SER H . 27707 1 6 . 1 1 2 2 SER C C 13 65.043 0.000 . 1 . . . . . 2 SER C . 27707 1 7 . 1 1 2 2 SER CA C 13 57.339 0.029 . 1 . . . . . 2 SER CA . 27707 1 8 . 1 1 2 2 SER N N 15 119.630 0.034 . 1 . . . . . 2 SER N . 27707 1 9 . 1 1 3 3 ALA H H 1 7.991 0.005 . 1 . . . . . 3 ALA H . 27707 1 10 . 1 1 3 3 ALA C C 13 20.926 0.000 . 1 . . . . . 3 ALA C . 27707 1 11 . 1 1 3 3 ALA CA C 13 50.946 0.035 . 1 . . . . . 3 ALA CA . 27707 1 12 . 1 1 3 3 ALA N N 15 127.407 0.042 . 1 . . . . . 3 ALA N . 27707 1 13 . 1 1 4 4 LEU H H 1 9.147 0.001 . 1 . . . . . 4 LEU H . 27707 1 14 . 1 1 4 4 LEU C C 13 43.819 0.000 . 1 . . . . . 4 LEU C . 27707 1 15 . 1 1 4 4 LEU CA C 13 48.445 4.726 . 1 . . . . . 4 LEU CA . 27707 1 16 . 1 1 4 4 LEU N N 15 128.511 0.014 . 1 . . . . . 4 LEU N . 27707 1 17 . 1 1 5 5 THR H H 1 9.488 0.001 . 1 . . . . . 5 THR H . 27707 1 18 . 1 1 5 5 THR C C 13 69.701 0.000 . 1 . . . . . 5 THR C . 27707 1 19 . 1 1 5 5 THR CA C 13 62.561 0.036 . 1 . . . . . 5 THR CA . 27707 1 20 . 1 1 5 5 THR N N 15 125.766 0.036 . 1 . . . . . 5 THR N . 27707 1 21 . 1 1 6 6 LEU H H 1 8.762 0.002 . 1 . . . . . 6 LEU H . 27707 1 22 . 1 1 6 6 LEU C C 13 43.545 0.023 . 1 . . . . . 6 LEU C . 27707 1 23 . 1 1 6 6 LEU CA C 13 52.568 0.032 . 1 . . . . . 6 LEU CA . 27707 1 24 . 1 1 6 6 LEU N N 15 128.039 0.027 . 1 . . . . . 6 LEU N . 27707 1 25 . 1 1 7 7 ASP H H 1 8.463 0.002 . 1 . . . . . 7 ASP H . 27707 1 26 . 1 1 7 7 ASP C C 13 44.973 0.005 . 1 . . . . . 7 ASP C . 27707 1 27 . 1 1 7 7 ASP CA C 13 53.691 0.037 . 1 . . . . . 7 ASP CA . 27707 1 28 . 1 1 7 7 ASP N N 15 122.283 0.031 . 1 . . . . . 7 ASP N . 27707 1 29 . 1 1 8 8 HIS H H 1 9.845 0.001 . 1 . . . . . 8 HIS H . 27707 1 30 . 1 1 8 8 HIS C C 13 32.088 0.015 . 1 . . . . . 8 HIS C . 27707 1 31 . 1 1 8 8 HIS CA C 13 54.343 0.120 . 1 . . . . . 8 HIS CA . 27707 1 32 . 1 1 8 8 HIS N N 15 131.563 0.012 . 1 . . . . . 8 HIS N . 27707 1 33 . 1 1 9 9 SER H H 1 9.038 0.002 . 1 . . . . . 9 SER H . 27707 1 34 . 1 1 9 9 SER C C 13 65.217 0.022 . 1 . . . . . 9 SER C . 27707 1 35 . 1 1 9 9 SER CA C 13 58.268 0.006 . 1 . . . . . 9 SER CA . 27707 1 36 . 1 1 9 9 SER N N 15 121.991 0.013 . 1 . . . . . 9 SER N . 27707 1 37 . 1 1 10 10 GLY H H 1 9.524 0.002 . 1 . . . . . 10 GLY H . 27707 1 38 . 1 1 10 10 GLY CA C 13 44.476 0.031 . 1 . . . . . 10 GLY CA . 27707 1 39 . 1 1 10 10 GLY N N 15 111.038 0.011 . 1 . . . . . 10 GLY N . 27707 1 40 . 1 1 11 11 ALA H H 1 8.145 0.001 . 1 . . . . . 11 ALA H . 27707 1 41 . 1 1 11 11 ALA C C 13 16.709 0.092 . 1 . . . . . 11 ALA C . 27707 1 42 . 1 1 11 11 ALA CA C 13 50.532 0.023 . 1 . . . . . 11 ALA CA . 27707 1 43 . 1 1 11 11 ALA N N 15 129.021 0.013 . 1 . . . . . 11 ALA N . 27707 1 44 . 1 1 12 12 TYR H H 1 7.234 0.002 . 1 . . . . . 12 TYR H . 27707 1 45 . 1 1 12 12 TYR C C 13 39.381 0.092 . 1 . . . . . 12 TYR C . 27707 1 46 . 1 1 12 12 TYR CA C 13 54.570 0.000 . 1 . . . . . 12 TYR CA . 27707 1 47 . 1 1 12 12 TYR N N 15 113.721 0.032 . 1 . . . . . 12 TYR N . 27707 1 48 . 1 1 13 13 VAL H H 1 9.354 0.004 . 1 . . . . . 13 VAL H . 27707 1 49 . 1 1 13 13 VAL C C 13 32.525 0.084 . 1 . . . . . 13 VAL C . 27707 1 50 . 1 1 13 13 VAL CA C 13 62.818 0.032 . 1 . . . . . 13 VAL CA . 27707 1 51 . 1 1 13 13 VAL N N 15 124.597 0.035 . 1 . . . . . 13 VAL N . 27707 1 52 . 1 1 14 14 ALA H H 1 9.216 0.002 . 1 . . . . . 14 ALA H . 27707 1 53 . 1 1 14 14 ALA C C 13 23.032 0.000 . 1 . . . . . 14 ALA C . 27707 1 54 . 1 1 14 14 ALA CA C 13 49.869 0.030 . 1 . . . . . 14 ALA CA . 27707 1 55 . 1 1 14 14 ALA N N 15 129.592 0.023 . 1 . . . . . 14 ALA N . 27707 1 56 . 1 1 15 15 LYS H H 1 8.480 0.002 . 1 . . . . . 15 LYS H . 27707 1 57 . 1 1 15 15 LYS C C 13 36.914 0.034 . 1 . . . . . 15 LYS C . 27707 1 58 . 1 1 15 15 LYS CA C 13 55.345 0.028 . 1 . . . . . 15 LYS CA . 27707 1 59 . 1 1 15 15 LYS N N 15 113.591 0.061 . 1 . . . . . 15 LYS N . 27707 1 60 . 1 1 16 16 TYR H H 1 10.244 0.003 . 1 . . . . . 16 TYR H . 27707 1 61 . 1 1 16 16 TYR C C 13 42.895 0.050 . 1 . . . . . 16 TYR C . 27707 1 62 . 1 1 16 16 TYR CA C 13 57.337 0.024 . 1 . . . . . 16 TYR CA . 27707 1 63 . 1 1 16 16 TYR N N 15 123.836 0.036 . 1 . . . . . 16 TYR N . 27707 1 64 . 1 1 17 17 ASN H H 1 9.303 0.001 . 1 . . . . . 17 ASN H . 27707 1 65 . 1 1 17 17 ASN C C 13 42.042 0.011 . 1 . . . . . 17 ASN C . 27707 1 66 . 1 1 17 17 ASN CA C 13 54.096 0.022 . 1 . . . . . 17 ASN CA . 27707 1 67 . 1 1 17 17 ASN N N 15 119.089 0.044 . 1 . . . . . 17 ASN N . 27707 1 68 . 1 1 18 18 ILE H H 1 10.333 0.001 . 1 . . . . . 18 ILE H . 27707 1 69 . 1 1 18 18 ILE C C 13 39.679 0.019 . 1 . . . . . 18 ILE C . 27707 1 70 . 1 1 18 18 ILE CA C 13 61.107 0.004 . 1 . . . . . 18 ILE CA . 27707 1 71 . 1 1 18 18 ILE N N 15 129.239 0.022 . 1 . . . . . 18 ILE N . 27707 1 72 . 1 1 19 19 THR H H 1 8.993 0.001 . 1 . . . . . 19 THR H . 27707 1 73 . 1 1 19 19 THR C C 13 72.936 0.064 . 1 . . . . . 19 THR C . 27707 1 74 . 1 1 19 19 THR CA C 13 59.843 0.016 . 1 . . . . . 19 THR CA . 27707 1 75 . 1 1 19 19 THR N N 15 119.563 0.046 . 1 . . . . . 19 THR N . 27707 1 76 . 1 1 20 20 TRP H H 1 8.251 0.001 . 1 . . . . . 20 TRP H . 27707 1 77 . 1 1 20 20 TRP C C 13 29.311 0.078 . 1 . . . . . 20 TRP C . 27707 1 78 . 1 1 20 20 TRP CA C 13 58.012 0.039 . 1 . . . . . 20 TRP CA . 27707 1 79 . 1 1 20 20 TRP N N 15 117.311 0.052 . 1 . . . . . 20 TRP N . 27707 1 80 . 1 1 21 21 GLU H H 1 9.252 0.003 . 1 . . . . . 21 GLU H . 27707 1 81 . 1 1 21 21 GLU C C 13 34.850 0.052 . 1 . . . . . 21 GLU C . 27707 1 82 . 1 1 21 21 GLU CA C 13 55.243 0.023 . 1 . . . . . 21 GLU CA . 27707 1 83 . 1 1 21 21 GLU N N 15 118.167 0.034 . 1 . . . . . 21 GLU N . 27707 1 84 . 1 1 22 22 GLU H H 1 8.794 0.001 . 1 . . . . . 22 GLU H . 27707 1 85 . 1 1 22 22 GLU C C 13 34.545 0.000 . 1 . . . . . 22 GLU C . 27707 1 86 . 1 1 22 22 GLU CA C 13 54.792 0.075 . 1 . . . . . 22 GLU CA . 27707 1 87 . 1 1 22 22 GLU N N 15 119.290 0.041 . 1 . . . . . 22 GLU N . 27707 1 88 . 1 1 23 23 VAL H H 1 8.310 0.001 . 1 . . . . . 23 VAL H . 27707 1 89 . 1 1 23 23 VAL C C 13 31.786 0.038 . 1 . . . . . 23 VAL C . 27707 1 90 . 1 1 23 23 VAL CA C 13 59.581 0.003 . 1 . . . . . 23 VAL CA . 27707 1 91 . 1 1 23 23 VAL N N 15 124.138 0.041 . 1 . . . . . 23 VAL N . 27707 1 92 . 1 1 24 24 SER H H 1 8.224 0.002 . 1 . . . . . 24 SER H . 27707 1 93 . 1 1 24 24 SER C C 13 65.241 0.047 . 1 . . . . . 24 SER C . 27707 1 94 . 1 1 24 24 SER CA C 13 56.496 0.045 . 1 . . . . . 24 SER CA . 27707 1 95 . 1 1 24 24 SER N N 15 122.283 0.044 . 1 . . . . . 24 SER N . 27707 1 96 . 1 1 25 25 TYR H H 1 8.233 0.001 . 1 . . . . . 25 TYR H . 27707 1 97 . 1 1 25 25 TYR C C 13 41.183 0.043 . 1 . . . . . 25 TYR C . 27707 1 98 . 1 1 25 25 TYR CA C 13 56.484 0.030 . 1 . . . . . 25 TYR CA . 27707 1 99 . 1 1 25 25 TYR N N 15 116.999 0.032 . 1 . . . . . 25 TYR N . 27707 1 100 . 1 1 26 26 ASN H H 1 8.380 0.001 . 1 . . . . . 26 ASN H . 27707 1 101 . 1 1 26 26 ASN C C 13 38.621 0.028 . 1 . . . . . 26 ASN C . 27707 1 102 . 1 1 26 26 ASN CA C 13 50.854 0.029 . 1 . . . . . 26 ASN CA . 27707 1 103 . 1 1 26 26 ASN N N 15 120.907 0.080 . 1 . . . . . 26 ASN N . 27707 1 104 . 1 1 27 27 GLU H H 1 8.936 0.002 . 1 . . . . . 27 GLU H . 27707 1 105 . 1 1 27 27 GLU C C 13 28.991 0.017 . 1 . . . . . 27 GLU C . 27707 1 106 . 1 1 27 27 GLU CA C 13 59.490 0.040 . 1 . . . . . 27 GLU CA . 27707 1 107 . 1 1 27 27 GLU N N 15 119.300 0.032 . 1 . . . . . 27 GLU N . 27707 1 108 . 1 1 28 28 ALA H H 1 7.543 0.001 . 1 . . . . . 28 ALA H . 27707 1 109 . 1 1 28 28 ALA C C 13 18.858 0.065 . 1 . . . . . 28 ALA C . 27707 1 110 . 1 1 28 28 ALA CA C 13 51.816 0.029 . 1 . . . . . 28 ALA CA . 27707 1 111 . 1 1 28 28 ALA N N 15 120.568 0.036 . 1 . . . . . 28 ALA N . 27707 1 112 . 1 1 29 29 GLY H H 1 8.303 0.001 . 1 . . . . . 29 GLY H . 27707 1 113 . 1 1 29 29 GLY CA C 13 45.423 0.030 . 1 . . . . . 29 GLY CA . 27707 1 114 . 1 1 29 29 GLY N N 15 107.851 0.029 . 1 . . . . . 29 GLY N . 27707 1 115 . 1 1 30 30 GLU H H 1 8.047 0.001 . 1 . . . . . 30 GLU H . 27707 1 116 . 1 1 30 30 GLU C C 13 30.272 0.055 . 1 . . . . . 30 GLU C . 27707 1 117 . 1 1 30 30 GLU CA C 13 55.145 0.009 . 1 . . . . . 30 GLU CA . 27707 1 118 . 1 1 30 30 GLU N N 15 120.520 0.038 . 1 . . . . . 30 GLU N . 27707 1 119 . 1 1 31 31 GLU H H 1 8.463 0.001 . 1 . . . . . 31 GLU H . 27707 1 120 . 1 1 31 31 GLU C C 13 30.971 0.051 . 1 . . . . . 31 GLU C . 27707 1 121 . 1 1 31 31 GLU CA C 13 56.573 0.006 . 1 . . . . . 31 GLU CA . 27707 1 122 . 1 1 31 31 GLU N N 15 120.710 0.040 . 1 . . . . . 31 GLU N . 27707 1 123 . 1 1 32 32 VAL H H 1 8.579 0.001 . 1 . . . . . 32 VAL H . 27707 1 124 . 1 1 32 32 VAL C C 13 34.078 0.058 . 1 . . . . . 32 VAL C . 27707 1 125 . 1 1 32 32 VAL CA C 13 61.428 0.015 . 1 . . . . . 32 VAL CA . 27707 1 126 . 1 1 32 32 VAL N N 15 125.509 0.022 . 1 . . . . . 32 VAL N . 27707 1 127 . 1 1 33 33 TRP H H 1 8.664 0.001 . 1 . . . . . 33 TRP H . 27707 1 128 . 1 1 33 33 TRP C C 13 30.328 0.046 . 1 . . . . . 33 TRP C . 27707 1 129 . 1 1 33 33 TRP CA C 13 56.309 0.002 . 1 . . . . . 33 TRP CA . 27707 1 130 . 1 1 33 33 TRP N N 15 127.224 0.038 . 1 . . . . . 33 TRP N . 27707 1 131 . 1 1 34 34 GLU H H 1 9.390 0.001 . 1 . . . . . 34 GLU H . 27707 1 132 . 1 1 34 34 GLU C C 13 32.967 0.000 . 1 . . . . . 34 GLU C . 27707 1 133 . 1 1 34 34 GLU CA C 13 52.718 0.000 . 1 . . . . . 34 GLU CA . 27707 1 134 . 1 1 34 34 GLU N N 15 125.168 0.041 . 1 . . . . . 34 GLU N . 27707 1 135 . 1 1 35 35 PRO C C 13 32.380 0.023 . 1 . . . . . 35 PRO C . 27707 1 136 . 1 1 35 35 PRO CA C 13 62.992 0.026 . 1 . . . . . 35 PRO CA . 27707 1 137 . 1 1 36 36 LYS H H 1 8.928 0.001 . 1 . . . . . 36 LYS H . 27707 1 138 . 1 1 36 36 LYS C C 13 34.414 0.052 . 1 . . . . . 36 LYS C . 27707 1 139 . 1 1 36 36 LYS CA C 13 52.671 0.039 . 1 . . . . . 36 LYS CA . 27707 1 140 . 1 1 36 36 LYS N N 15 122.781 0.050 . 1 . . . . . 36 LYS N . 27707 1 141 . 1 1 37 37 ALA H H 1 7.743 0.001 . 1 . . . . . 37 ALA H . 27707 1 142 . 1 1 37 37 ALA C C 13 22.541 0.079 . 1 . . . . . 37 ALA C . 27707 1 143 . 1 1 37 37 ALA CA C 13 49.951 0.024 . 1 . . . . . 37 ALA CA . 27707 1 144 . 1 1 37 37 ALA N N 15 121.736 0.061 . 1 . . . . . 37 ALA N . 27707 1 145 . 1 1 38 38 TRP H H 1 7.670 0.001 . 1 . . . . . 38 TRP H . 27707 1 146 . 1 1 38 38 TRP C C 13 29.234 0.058 . 1 . . . . . 38 TRP C . 27707 1 147 . 1 1 38 38 TRP CA C 13 56.885 0.005 . 1 . . . . . 38 TRP CA . 27707 1 148 . 1 1 38 38 TRP N N 15 123.832 0.030 . 1 . . . . . 38 TRP N . 27707 1 149 . 1 1 39 39 ASP H H 1 8.628 0.001 . 1 . . . . . 39 ASP H . 27707 1 150 . 1 1 39 39 ASP C C 13 39.963 0.000 . 1 . . . . . 39 ASP C . 27707 1 151 . 1 1 39 39 ASP CA C 13 56.553 0.000 . 1 . . . . . 39 ASP CA . 27707 1 152 . 1 1 39 39 ASP N N 15 129.602 0.050 . 1 . . . . . 39 ASP N . 27707 1 153 . 1 1 40 40 LYS H H 1 55.105 0.000 . 1 . . . . . 40 LYS H . 27707 1 154 . 1 1 40 40 LYS C C 13 29.538 0.004 . 1 . . . . . 40 LYS C . 27707 1 155 . 1 1 41 41 ASN H H 1 7.340 0.000 . 1 . . . . . 41 ASN H . 27707 1 156 . 1 1 41 41 ASN C C 13 36.909 0.030 . 1 . . . . . 41 ASN C . 27707 1 157 . 1 1 41 41 ASN CA C 13 53.842 0.006 . 1 . . . . . 41 ASN CA . 27707 1 158 . 1 1 41 41 ASN N N 15 122.226 0.014 . 1 . . . . . 41 ASN N . 27707 1 159 . 1 1 42 42 GLY H H 1 9.054 0.002 . 1 . . . . . 42 GLY H . 27707 1 160 . 1 1 42 42 GLY CA C 13 46.205 0.024 . 1 . . . . . 42 GLY CA . 27707 1 161 . 1 1 42 42 GLY N N 15 110.874 0.016 . 1 . . . . . 42 GLY N . 27707 1 162 . 1 1 43 43 VAL H H 1 7.644 0.001 . 1 . . . . . 43 VAL H . 27707 1 163 . 1 1 43 43 VAL C C 13 32.214 0.038 . 1 . . . . . 43 VAL C . 27707 1 164 . 1 1 43 43 VAL CA C 13 63.270 0.013 . 1 . . . . . 43 VAL CA . 27707 1 165 . 1 1 43 43 VAL N N 15 123.032 0.044 . 1 . . . . . 43 VAL N . 27707 1 166 . 1 1 44 44 ASN H H 1 8.804 0.002 . 1 . . . . . 44 ASN H . 27707 1 167 . 1 1 44 44 ASN C C 13 38.132 0.041 . 1 . . . . . 44 ASN C . 27707 1 168 . 1 1 44 44 ASN CA C 13 53.176 0.046 . 1 . . . . . 44 ASN CA . 27707 1 169 . 1 1 44 44 ASN N N 15 125.257 0.036 . 1 . . . . . 44 ASN N . 27707 1 170 . 1 1 45 45 LEU H H 1 9.637 0.002 . 1 . . . . . 45 LEU H . 27707 1 171 . 1 1 45 45 LEU C C 13 45.514 0.027 . 1 . . . . . 45 LEU C . 27707 1 172 . 1 1 45 45 LEU CA C 13 54.611 0.030 . 1 . . . . . 45 LEU CA . 27707 1 173 . 1 1 45 45 LEU N N 15 127.796 0.035 . 1 . . . . . 45 LEU N . 27707 1 174 . 1 1 46 46 THR H H 1 8.160 0.001 . 1 . . . . . 46 THR H . 27707 1 175 . 1 1 46 46 THR C C 13 71.037 0.044 . 1 . . . . . 46 THR C . 27707 1 176 . 1 1 46 46 THR CA C 13 59.726 0.034 . 1 . . . . . 46 THR CA . 27707 1 177 . 1 1 46 46 THR N N 15 113.579 0.026 . 1 . . . . . 46 THR N . 27707 1 178 . 1 1 47 47 SER H H 1 8.377 0.002 . 1 . . . . . 47 SER H . 27707 1 179 . 1 1 47 47 SER C C 13 64.039 0.032 . 1 . . . . . 47 SER C . 27707 1 180 . 1 1 47 47 SER CA C 13 54.188 0.006 . 1 . . . . . 47 SER CA . 27707 1 181 . 1 1 47 47 SER N N 15 114.925 0.037 . 1 . . . . . 47 SER N . 27707 1 182 . 1 1 48 48 HIS H H 1 7.871 0.001 . 1 . . . . . 48 HIS H . 27707 1 183 . 1 1 48 48 HIS C C 13 31.228 0.069 . 1 . . . . . 48 HIS C . 27707 1 184 . 1 1 48 48 HIS CA C 13 58.109 0.008 . 1 . . . . . 48 HIS CA . 27707 1 185 . 1 1 48 48 HIS N N 15 121.340 0.040 . 1 . . . . . 48 HIS N . 27707 1 186 . 1 1 49 49 TRP H H 1 8.121 0.004 . 1 . . . . . 49 TRP H . 27707 1 187 . 1 1 49 49 TRP C C 13 32.917 0.094 . 1 . . . . . 49 TRP C . 27707 1 188 . 1 1 49 49 TRP CA C 13 57.211 0.046 . 1 . . . . . 49 TRP CA . 27707 1 189 . 1 1 49 49 TRP N N 15 130.919 0.038 . 1 . . . . . 49 TRP N . 27707 1 190 . 1 1 50 50 SER H H 1 7.028 0.002 . 1 . . . . . 50 SER H . 27707 1 191 . 1 1 50 50 SER C C 13 65.281 0.048 . 1 . . . . . 50 SER C . 27707 1 192 . 1 1 50 50 SER CA C 13 57.047 0.012 . 1 . . . . . 50 SER CA . 27707 1 193 . 1 1 50 50 SER N N 15 119.224 0.058 . 1 . . . . . 50 SER N . 27707 1 194 . 1 1 51 51 GLU H H 1 7.511 0.001 . 1 . . . . . 51 GLU H . 27707 1 195 . 1 1 51 51 GLU C C 13 35.528 0.062 . 1 . . . . . 51 GLU C . 27707 1 196 . 1 1 51 51 GLU CA C 13 56.791 0.058 . 1 . . . . . 51 GLU CA . 27707 1 197 . 1 1 51 51 GLU N N 15 121.904 0.026 . 1 . . . . . 51 GLU N . 27707 1 198 . 1 1 52 52 THR H H 1 8.636 0.002 . 1 . . . . . 52 THR H . 27707 1 199 . 1 1 52 52 THR C C 13 70.379 0.097 . 1 . . . . . 52 THR C . 27707 1 200 . 1 1 52 52 THR CA C 13 62.102 0.035 . 1 . . . . . 52 THR CA . 27707 1 201 . 1 1 52 52 THR N N 15 119.813 0.037 . 1 . . . . . 52 THR N . 27707 1 202 . 1 1 53 53 ILE H H 1 9.368 0.001 . 1 . . . . . 53 ILE H . 27707 1 203 . 1 1 53 53 ILE C C 13 40.592 0.021 . 1 . . . . . 53 ILE C . 27707 1 204 . 1 1 53 53 ILE CA C 13 60.654 0.006 . 1 . . . . . 53 ILE CA . 27707 1 205 . 1 1 53 53 ILE N N 15 131.176 0.019 . 1 . . . . . 53 ILE N . 27707 1 206 . 1 1 54 54 GLN H H 1 8.508 0.002 . 1 . . . . . 54 GLN H . 27707 1 207 . 1 1 54 54 GLN C C 13 29.255 0.064 . 1 . . . . . 54 GLN C . 27707 1 208 . 1 1 54 54 GLN CA C 13 54.437 0.017 . 1 . . . . . 54 GLN CA . 27707 1 209 . 1 1 54 54 GLN N N 15 124.687 0.024 . 1 . . . . . 54 GLN N . 27707 1 210 . 1 1 55 55 ILE H H 1 8.800 0.002 . 1 . . . . . 55 ILE H . 27707 1 211 . 1 1 55 55 ILE C C 13 41.390 0.000 . 1 . . . . . 55 ILE C . 27707 1 212 . 1 1 55 55 ILE CA C 13 57.775 0.000 . 1 . . . . . 55 ILE CA . 27707 1 213 . 1 1 55 55 ILE N N 15 127.185 0.052 . 1 . . . . . 55 ILE N . 27707 1 214 . 1 1 56 56 PRO C C 13 32.494 0.000 . 1 . . . . . 56 PRO C . 27707 1 215 . 1 1 56 56 PRO CA C 13 64.223 0.007 . 1 . . . . . 56 PRO CA . 27707 1 216 . 1 1 57 57 GLY H H 1 8.260 0.005 . 1 . . . . . 57 GLY H . 27707 1 217 . 1 1 57 57 GLY CA C 13 46.490 0.011 . 1 . . . . . 57 GLY CA . 27707 1 218 . 1 1 57 57 GLY N N 15 106.790 0.043 . 1 . . . . . 57 GLY N . 27707 1 219 . 1 1 58 58 ASN H H 1 8.019 0.005 . 1 . . . . . 58 ASN H . 27707 1 220 . 1 1 58 58 ASN C C 13 36.961 0.038 . 1 . . . . . 58 ASN C . 27707 1 221 . 1 1 58 58 ASN CA C 13 51.693 0.007 . 1 . . . . . 58 ASN CA . 27707 1 222 . 1 1 58 58 ASN N N 15 115.601 0.050 . 1 . . . . . 58 ASN N . 27707 1 223 . 1 1 59 59 ALA H H 1 7.506 0.004 . 1 . . . . . 59 ALA H . 27707 1 224 . 1 1 59 59 ALA C C 13 21.593 0.086 . 1 . . . . . 59 ALA C . 27707 1 225 . 1 1 59 59 ALA CA C 13 52.583 0.032 . 1 . . . . . 59 ALA CA . 27707 1 226 . 1 1 59 59 ALA N N 15 120.889 0.037 . 1 . . . . . 59 ALA N . 27707 1 227 . 1 1 60 60 ARG H H 1 8.961 0.001 . 1 . . . . . 60 ARG H . 27707 1 228 . 1 1 60 60 ARG C C 13 33.836 0.070 . 1 . . . . . 60 ARG C . 27707 1 229 . 1 1 60 60 ARG CA C 13 53.896 0.015 . 1 . . . . . 60 ARG CA . 27707 1 230 . 1 1 60 60 ARG N N 15 113.106 0.046 . 1 . . . . . 60 ARG N . 27707 1 231 . 1 1 61 61 ASN H H 1 8.599 0.001 . 1 . . . . . 61 ASN H . 27707 1 232 . 1 1 61 61 ASN C C 13 36.042 0.021 . 1 . . . . . 61 ASN C . 27707 1 233 . 1 1 61 61 ASN CA C 13 53.594 0.120 . 1 . . . . . 61 ASN CA . 27707 1 234 . 1 1 61 61 ASN N N 15 114.865 0.046 . 1 . . . . . 61 ASN N . 27707 1 235 . 1 1 62 62 LEU H H 1 8.402 0.001 . 1 . . . . . 62 LEU H . 27707 1 236 . 1 1 62 62 LEU C C 13 41.186 0.022 . 1 . . . . . 62 LEU C . 27707 1 237 . 1 1 62 62 LEU CA C 13 56.007 0.000 . 1 . . . . . 62 LEU CA . 27707 1 238 . 1 1 62 62 LEU N N 15 120.105 0.031 . 1 . . . . . 62 LEU N . 27707 1 239 . 1 1 63 63 HIS H H 1 9.718 0.002 . 1 . . . . . 63 HIS H . 27707 1 240 . 1 1 63 63 HIS C C 13 31.633 0.000 . 1 . . . . . 63 HIS C . 27707 1 241 . 1 1 63 63 HIS CA C 13 55.330 0.045 . 1 . . . . . 63 HIS CA . 27707 1 242 . 1 1 63 63 HIS N N 15 128.061 0.022 . 1 . . . . . 63 HIS N . 27707 1 243 . 1 1 64 64 VAL H H 1 7.987 0.001 . 1 . . . . . 64 VAL H . 27707 1 244 . 1 1 64 64 VAL C C 13 35.358 0.065 . 1 . . . . . 64 VAL C . 27707 1 245 . 1 1 64 64 VAL CA C 13 61.472 0.012 . 1 . . . . . 64 VAL CA . 27707 1 246 . 1 1 64 64 VAL N N 15 125.747 0.028 . 1 . . . . . 64 VAL N . 27707 1 247 . 1 1 65 65 ASN H H 1 8.275 0.003 . 1 . . . . . 65 ASN H . 27707 1 248 . 1 1 65 65 ASN C C 13 44.310 0.030 . 1 . . . . . 65 ASN C . 27707 1 249 . 1 1 65 65 ASN CA C 13 52.596 0.018 . 1 . . . . . 65 ASN CA . 27707 1 250 . 1 1 65 65 ASN N N 15 126.846 0.071 . 1 . . . . . 65 ASN N . 27707 1 251 . 1 1 66 66 ILE H H 1 9.355 0.001 . 1 . . . . . 66 ILE H . 27707 1 252 . 1 1 66 66 ILE C C 13 41.142 0.080 . 1 . . . . . 66 ILE C . 27707 1 253 . 1 1 66 66 ILE CA C 13 61.098 0.009 . 1 . . . . . 66 ILE CA . 27707 1 254 . 1 1 66 66 ILE N N 15 124.303 0.028 . 1 . . . . . 66 ILE N . 27707 1 255 . 1 1 67 67 GLN H H 1 8.804 0.004 . 1 . . . . . 67 GLN H . 27707 1 256 . 1 1 67 67 GLN C C 13 34.805 0.061 . 1 . . . . . 67 GLN C . 27707 1 257 . 1 1 67 67 GLN CA C 13 54.131 0.014 . 1 . . . . . 67 GLN CA . 27707 1 258 . 1 1 67 67 GLN N N 15 126.243 0.022 . 1 . . . . . 67 GLN N . 27707 1 259 . 1 1 68 68 GLU H H 1 9.239 0.002 . 1 . . . . . 68 GLU H . 27707 1 260 . 1 1 68 68 GLU C C 13 30.922 0.030 . 1 . . . . . 68 GLU C . 27707 1 261 . 1 1 68 68 GLU CA C 13 53.169 0.623 . 1 . . . . . 68 GLU CA . 27707 1 262 . 1 1 68 68 GLU N N 15 116.086 0.039 . 1 . . . . . 68 GLU N . 27707 1 263 . 1 1 69 69 CYS H H 1 8.378 0.002 . 1 . . . . . 69 CYS H . 27707 1 264 . 1 1 69 69 CYS C C 13 25.559 0.065 . 1 . . . . . 69 CYS C . 27707 1 265 . 1 1 69 69 CYS CA C 13 56.677 0.066 . 1 . . . . . 69 CYS CA . 27707 1 266 . 1 1 69 69 CYS N N 15 123.802 0.009 . 1 . . . . . 69 CYS N . 27707 1 267 . 1 1 70 70 THR H H 1 8.206 0.003 . 1 . . . . . 70 THR H . 27707 1 268 . 1 1 70 70 THR C C 13 69.483 0.008 . 1 . . . . . 70 THR C . 27707 1 269 . 1 1 70 70 THR CA C 13 62.747 0.064 . 1 . . . . . 70 THR CA . 27707 1 270 . 1 1 70 70 THR N N 15 119.195 0.059 . 1 . . . . . 70 THR N . 27707 1 271 . 1 1 71 71 GLY H H 1 6.600 0.002 . 1 . . . . . 71 GLY H . 27707 1 272 . 1 1 71 71 GLY CA C 13 45.181 0.030 . 1 . . . . . 71 GLY CA . 27707 1 273 . 1 1 71 71 GLY N N 15 106.809 0.006 . 1 . . . . . 71 GLY N . 27707 1 274 . 1 1 72 72 LEU H H 1 7.910 0.001 . 1 . . . . . 72 LEU H . 27707 1 275 . 1 1 72 72 LEU C C 13 40.832 0.017 . 1 . . . . . 72 LEU C . 27707 1 276 . 1 1 72 72 LEU CA C 13 52.964 0.045 . 1 . . . . . 72 LEU CA . 27707 1 277 . 1 1 72 72 LEU N N 15 121.431 0.035 . 1 . . . . . 72 LEU N . 27707 1 278 . 1 1 73 73 ALA H H 1 8.525 0.001 . 1 . . . . . 73 ALA H . 27707 1 279 . 1 1 73 73 ALA C C 13 18.525 0.093 . 1 . . . . . 73 ALA C . 27707 1 280 . 1 1 73 73 ALA CA C 13 55.080 0.000 . 1 . . . . . 73 ALA CA . 27707 1 281 . 1 1 73 73 ALA N N 15 124.679 0.008 . 1 . . . . . 73 ALA N . 27707 1 282 . 1 1 74 74 TRP H H 1 6.802 0.002 . 1 . . . . . 74 TRP H . 27707 1 283 . 1 1 74 74 TRP C C 13 28.115 0.039 . 1 . . . . . 74 TRP C . 27707 1 284 . 1 1 74 74 TRP CA C 13 56.840 0.010 . 1 . . . . . 74 TRP CA . 27707 1 285 . 1 1 74 74 TRP N N 15 111.028 0.026 . 1 . . . . . 74 TRP N . 27707 1 286 . 1 1 75 75 GLU H H 1 7.055 0.002 . 1 . . . . . 75 GLU H . 27707 1 287 . 1 1 75 75 GLU C C 13 29.333 0.000 . 1 . . . . . 75 GLU C . 27707 1 288 . 1 1 75 75 GLU CA C 13 56.017 0.000 . 1 . . . . . 75 GLU CA . 27707 1 289 . 1 1 75 75 GLU N N 15 124.595 0.026 . 1 . . . . . 75 GLU N . 27707 1 290 . 1 1 76 76 TRP H H 1 8.508 0.001 . 1 . . . . . 76 TRP H . 27707 1 291 . 1 1 76 76 TRP N N 15 127.998 0.020 . 1 . . . . . 76 TRP N . 27707 1 292 . 1 1 77 77 TRP C C 13 31.552 0.000 . 1 . . . . . 77 TRP C . 27707 1 293 . 1 1 77 77 TRP CA C 13 55.051 0.000 . 1 . . . . . 77 TRP CA . 27707 1 294 . 1 1 78 78 ARG H H 1 9.272 0.002 . 1 . . . . . 78 ARG H . 27707 1 295 . 1 1 78 78 ARG C C 13 33.836 0.012 . 1 . . . . . 78 ARG C . 27707 1 296 . 1 1 78 78 ARG CA C 13 54.192 0.051 . 1 . . . . . 78 ARG CA . 27707 1 297 . 1 1 78 78 ARG N N 15 123.416 0.029 . 1 . . . . . 78 ARG N . 27707 1 298 . 1 1 79 79 THR H H 1 9.340 0.002 . 1 . . . . . 79 THR H . 27707 1 299 . 1 1 79 79 THR C C 13 68.714 0.130 . 1 . . . . . 79 THR C . 27707 1 300 . 1 1 79 79 THR CA C 13 64.878 0.039 . 1 . . . . . 79 THR CA . 27707 1 301 . 1 1 79 79 THR N N 15 125.175 0.106 . 1 . . . . . 79 THR N . 27707 1 302 . 1 1 80 80 VAL H H 1 9.072 0.003 . 1 . . . . . 80 VAL H . 27707 1 303 . 1 1 80 80 VAL C C 13 33.846 0.035 . 1 . . . . . 80 VAL C . 27707 1 304 . 1 1 80 80 VAL CA C 13 62.838 0.001 . 1 . . . . . 80 VAL CA . 27707 1 305 . 1 1 80 80 VAL N N 15 128.658 0.046 . 1 . . . . . 80 VAL N . 27707 1 306 . 1 1 81 81 TYR H H 1 7.261 0.001 . 1 . . . . . 81 TYR H . 27707 1 307 . 1 1 81 81 TYR C C 13 42.899 0.060 . 1 . . . . . 81 TYR C . 27707 1 308 . 1 1 81 81 TYR CA C 13 56.710 0.023 . 1 . . . . . 81 TYR CA . 27707 1 309 . 1 1 81 81 TYR N N 15 119.977 0.010 . 1 . . . . . 81 TYR N . 27707 1 310 . 1 1 82 82 ASP H H 1 8.155 0.001 . 1 . . . . . 82 ASP H . 27707 1 311 . 1 1 82 82 ASP C C 13 43.207 0.065 . 1 . . . . . 82 ASP C . 27707 1 312 . 1 1 82 82 ASP CA C 13 55.048 0.045 . 1 . . . . . 82 ASP CA . 27707 1 313 . 1 1 82 82 ASP N N 15 129.573 0.031 . 1 . . . . . 82 ASP N . 27707 1 314 . 1 1 83 83 LYS H H 1 8.005 0.001 . 1 . . . . . 83 LYS H . 27707 1 315 . 1 1 83 83 LYS C C 13 37.631 0.064 . 1 . . . . . 83 LYS C . 27707 1 316 . 1 1 83 83 LYS CA C 13 56.045 0.009 . 1 . . . . . 83 LYS CA . 27707 1 317 . 1 1 83 83 LYS N N 15 122.587 0.043 . 1 . . . . . 83 LYS N . 27707 1 318 . 1 1 84 84 ASP H H 1 8.219 0.001 . 1 . . . . . 84 ASP H . 27707 1 319 . 1 1 84 84 ASP C C 13 41.556 0.054 . 1 . . . . . 84 ASP C . 27707 1 320 . 1 1 84 84 ASP CA C 13 54.007 0.012 . 1 . . . . . 84 ASP CA . 27707 1 321 . 1 1 84 84 ASP N N 15 122.972 0.019 . 1 . . . . . 84 ASP N . 27707 1 322 . 1 1 85 85 LEU H H 1 8.268 0.001 . 1 . . . . . 85 LEU H . 27707 1 323 . 1 1 85 85 LEU C C 13 46.833 0.000 . 1 . . . . . 85 LEU C . 27707 1 324 . 1 1 85 85 LEU CA C 13 51.228 0.000 . 1 . . . . . 85 LEU CA . 27707 1 325 . 1 1 85 85 LEU N N 15 123.703 0.059 . 1 . . . . . 85 LEU N . 27707 1 326 . 1 1 86 86 PRO C C 13 32.077 0.000 . 1 . . . . . 86 PRO C . 27707 1 327 . 1 1 86 86 PRO CA C 13 61.544 0.007 . 1 . . . . . 86 PRO CA . 27707 1 328 . 1 1 87 87 LEU H H 1 8.742 0.001 . 1 . . . . . 87 LEU H . 27707 1 329 . 1 1 87 87 LEU C C 13 39.809 0.056 . 1 . . . . . 87 LEU C . 27707 1 330 . 1 1 87 87 LEU CA C 13 55.600 0.050 . 1 . . . . . 87 LEU CA . 27707 1 331 . 1 1 87 87 LEU N N 15 125.029 0.057 . 1 . . . . . 87 LEU N . 27707 1 332 . 1 1 88 88 VAL H H 1 6.668 0.004 . 1 . . . . . 88 VAL H . 27707 1 333 . 1 1 88 88 VAL C C 13 33.253 0.094 . 1 . . . . . 88 VAL C . 27707 1 334 . 1 1 88 88 VAL CA C 13 59.286 0.020 . 1 . . . . . 88 VAL CA . 27707 1 335 . 1 1 88 88 VAL N N 15 115.414 0.045 . 1 . . . . . 88 VAL N . 27707 1 336 . 1 1 89 89 GLY H H 1 8.908 0.004 . 1 . . . . . 89 GLY H . 27707 1 337 . 1 1 89 89 GLY CA C 13 48.617 0.079 . 1 . . . . . 89 GLY CA . 27707 1 338 . 1 1 89 89 GLY N N 15 112.659 0.040 . 1 . . . . . 89 GLY N . 27707 1 339 . 1 1 90 90 GLN H H 1 8.594 0.001 . 1 . . . . . 90 GLN H . 27707 1 340 . 1 1 90 90 GLN C C 13 32.255 0.032 . 1 . . . . . 90 GLN C . 27707 1 341 . 1 1 90 90 GLN CA C 13 55.956 0.024 . 1 . . . . . 90 GLN CA . 27707 1 342 . 1 1 90 90 GLN N N 15 119.297 0.047 . 1 . . . . . 90 GLN N . 27707 1 343 . 1 1 91 91 ARG H H 1 8.448 0.002 . 1 . . . . . 91 ARG H . 27707 1 344 . 1 1 91 91 ARG C C 13 34.529 0.000 . 1 . . . . . 91 ARG C . 27707 1 345 . 1 1 91 91 ARG CA C 13 53.667 0.006 . 1 . . . . . 91 ARG CA . 27707 1 346 . 1 1 91 91 ARG N N 15 127.433 0.034 . 1 . . . . . 91 ARG N . 27707 1 347 . 1 1 92 92 LYS H H 1 9.515 0.001 . 1 . . . . . 92 LYS H . 27707 1 348 . 1 1 92 92 LYS C C 13 36.061 0.035 . 1 . . . . . 92 LYS C . 27707 1 349 . 1 1 92 92 LYS CA C 13 54.449 0.068 . 1 . . . . . 92 LYS CA . 27707 1 350 . 1 1 92 92 LYS N N 15 129.057 0.028 . 1 . . . . . 92 LYS N . 27707 1 351 . 1 1 93 93 ILE H H 1 9.083 0.002 . 1 . . . . . 93 ILE H . 27707 1 352 . 1 1 93 93 ILE C C 13 39.982 0.034 . 1 . . . . . 93 ILE C . 27707 1 353 . 1 1 93 93 ILE CA C 13 60.358 0.006 . 1 . . . . . 93 ILE CA . 27707 1 354 . 1 1 93 93 ILE N N 15 128.524 0.030 . 1 . . . . . 93 ILE N . 27707 1 355 . 1 1 94 94 THR H H 1 9.104 0.002 . 1 . . . . . 94 THR H . 27707 1 356 . 1 1 94 94 THR C C 13 70.753 0.026 . 1 . . . . . 94 THR C . 27707 1 357 . 1 1 94 94 THR CA C 13 61.582 0.020 . 1 . . . . . 94 THR CA . 27707 1 358 . 1 1 94 94 THR N N 15 128.517 0.058 . 1 . . . . . 94 THR N . 27707 1 359 . 1 1 95 95 ILE H H 1 8.892 0.003 . 1 . . . . . 95 ILE H . 27707 1 360 . 1 1 95 95 ILE C C 13 39.329 0.016 . 1 . . . . . 95 ILE C . 27707 1 361 . 1 1 95 95 ILE CA C 13 59.620 0.024 . 1 . . . . . 95 ILE CA . 27707 1 362 . 1 1 95 95 ILE N N 15 118.174 0.056 . 1 . . . . . 95 ILE N . 27707 1 363 . 1 1 96 96 TRP H H 1 9.041 0.001 . 1 . . . . . 96 TRP H . 27707 1 364 . 1 1 96 96 TRP C C 13 29.397 0.012 . 1 . . . . . 96 TRP C . 27707 1 365 . 1 1 96 96 TRP CA C 13 56.600 0.011 . 1 . . . . . 96 TRP CA . 27707 1 366 . 1 1 96 96 TRP N N 15 120.716 0.026 . 1 . . . . . 96 TRP N . 27707 1 367 . 1 1 97 97 GLY H H 1 9.558 0.005 . 1 . . . . . 97 GLY H . 27707 1 368 . 1 1 97 97 GLY CA C 13 44.742 0.038 . 1 . . . . . 97 GLY CA . 27707 1 369 . 1 1 97 97 GLY N N 15 115.290 0.041 . 1 . . . . . 97 GLY N . 27707 1 370 . 1 1 98 98 THR H H 1 7.425 0.002 . 1 . . . . . 98 THR H . 27707 1 371 . 1 1 98 98 THR C C 13 72.186 0.000 . 1 . . . . . 98 THR C . 27707 1 372 . 1 1 98 98 THR CA C 13 59.660 0.026 . 1 . . . . . 98 THR CA . 27707 1 373 . 1 1 98 98 THR N N 15 110.923 0.035 . 1 . . . . . 98 THR N . 27707 1 374 . 1 1 99 99 THR H H 1 8.706 0.001 . 1 . . . . . 99 THR H . 27707 1 375 . 1 1 99 99 THR N N 15 108.807 0.055 . 1 . . . . . 99 THR N . 27707 1 376 . 1 1 102 102 PRO CA C 13 63.085 0.022 . 1 . . . . . 102 PRO CA . 27707 1 377 . 1 1 103 103 GLN H H 1 7.859 0.001 . 1 . . . . . 103 GLN H . 27707 1 378 . 1 1 103 103 GLN C C 13 32.886 0.003 . 1 . . . . . 103 GLN C . 27707 1 379 . 1 1 103 103 GLN CA C 13 54.083 0.019 . 1 . . . . . 103 GLN CA . 27707 1 380 . 1 1 103 103 GLN N N 15 119.686 0.016 . 1 . . . . . 103 GLN N . 27707 1 381 . 1 1 104 104 TYR H H 1 7.637 0.001 . 1 . . . . . 104 TYR H . 27707 1 382 . 1 1 104 104 TYR C C 13 42.823 0.046 . 1 . . . . . 104 TYR C . 27707 1 383 . 1 1 104 104 TYR CA C 13 56.144 0.011 . 1 . . . . . 104 TYR CA . 27707 1 384 . 1 1 104 104 TYR N N 15 114.043 0.058 . 1 . . . . . 104 TYR N . 27707 1 385 . 1 1 105 105 ALA H H 1 9.328 0.003 . 1 . . . . . 105 ALA H . 27707 1 386 . 1 1 105 105 ALA C C 13 22.128 0.073 . 1 . . . . . 105 ALA C . 27707 1 387 . 1 1 105 105 ALA CA C 13 51.844 0.015 . 1 . . . . . 105 ALA CA . 27707 1 388 . 1 1 105 105 ALA N N 15 122.039 0.036 . 1 . . . . . 105 ALA N . 27707 1 389 . 1 1 106 106 ASP H H 1 8.781 0.002 . 1 . . . . . 106 ASP H . 27707 1 390 . 1 1 106 106 ASP C C 13 43.272 0.055 . 1 . . . . . 106 ASP C . 27707 1 391 . 1 1 106 106 ASP CA C 13 52.927 0.095 . 1 . . . . . 106 ASP CA . 27707 1 392 . 1 1 106 106 ASP N N 15 124.123 0.043 . 1 . . . . . 106 ASP N . 27707 1 393 . 1 1 107 107 GLU H H 1 8.943 0.001 . 1 . . . . . 107 GLU H . 27707 1 394 . 1 1 107 107 GLU C C 13 34.059 0.038 . 1 . . . . . 107 GLU C . 27707 1 395 . 1 1 107 107 GLU CA C 13 54.708 0.025 . 1 . . . . . 107 GLU CA . 27707 1 396 . 1 1 107 107 GLU N N 15 124.150 0.035 . 1 . . . . . 107 GLU N . 27707 1 397 . 1 1 108 108 VAL H H 1 8.713 0.001 . 1 . . . . . 108 VAL H . 27707 1 398 . 1 1 108 108 VAL C C 13 32.409 0.051 . 1 . . . . . 108 VAL C . 27707 1 399 . 1 1 108 108 VAL CA C 13 62.926 0.032 . 1 . . . . . 108 VAL CA . 27707 1 400 . 1 1 108 108 VAL N N 15 124.779 0.023 . 1 . . . . . 108 VAL N . 27707 1 401 . 1 1 109 109 ILE H H 1 8.484 0.001 . 1 . . . . . 109 ILE H . 27707 1 402 . 1 1 109 109 ILE C C 13 38.361 0.039 . 1 . . . . . 109 ILE C . 27707 1 403 . 1 1 109 109 ILE CA C 13 61.166 0.025 . 1 . . . . . 109 ILE CA . 27707 1 404 . 1 1 109 109 ILE N N 15 130.541 0.014 . 1 . . . . . 109 ILE N . 27707 1 405 . 1 1 110 110 GLU H H 1 8.075 0.000 . 1 . . . . . 110 GLU H . 27707 1 406 . 1 1 110 110 GLU C C 13 32.081 0.000 . 1 . . . . . 110 GLU C . 27707 1 407 . 1 1 110 110 GLU CA C 13 58.072 0.000 . 1 . . . . . 110 GLU CA . 27707 1 408 . 1 1 110 110 GLU N N 15 128.503 0.036 . 1 . . . . . 110 GLU N . 27707 1 stop_ save_