data_15438 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15438 _Entry.Title ; Solution structure of IPI* ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-17 _Entry.Accession_date 2007-08-17 _Entry.Last_release_date 2007-08-17 _Entry.Original_release_date 2007-08-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 'T4 phage protein IPI*' 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 Dalin Rifat . . . . 15438 2 Nathan Wright . T. . . 15438 3 Kristen Varney . M. . . 15438 4 David Weber . J. . . 15438 5 Lindsay Black . W. . . 15438 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15438 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 221 15438 '15N chemical shifts' 72 15438 '1H chemical shifts' 452 15438 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-26 2007-08-17 update BMRB 'update entity name' 15438 1 . . 2008-06-26 2007-08-17 original author 'original release' 15438 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JUB 'BMRB Entry Tracking System' 15438 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15438 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18037438 _Citation.Full_citation . _Citation.Title ; Restriction endonuclease inhibitor IPI* of bacteriophage T4: a novel structure for a dedicated target ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 375 _Citation.Journal_issue 3 _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 720 _Citation.Page_last 734 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dalin Rifat . . . . 15438 1 2 Nathan Wright . T. . . 15438 1 3 Kristen Varney . M. . . 15438 1 4 David Weber . J. . . 15438 1 5 Lindsay Black . W. . . 15438 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15438 _Assembly.ID 1 _Assembly.Name IP1* _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8050 _Assembly.Enzyme_commission_number . _Assembly.Details monomer _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 IP1* 1 $entity A . yes native no no . . . 15438 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15438 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IP1* _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 ; ATLTSEVIKANKGREGKPMI SLVDGEEIKGTVYLGDGWSA KKDGATIVISPAEETALFKA KHISAAHLKIIAKNLL ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8060.466 _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 . 15438 1 2 . THR . 15438 1 3 . LEU . 15438 1 4 . THR . 15438 1 5 . SER . 15438 1 6 . GLU . 15438 1 7 . VAL . 15438 1 8 . ILE . 15438 1 9 . LYS . 15438 1 10 . ALA . 15438 1 11 . ASN . 15438 1 12 . LYS . 15438 1 13 . GLY . 15438 1 14 . ARG . 15438 1 15 . GLU . 15438 1 16 . GLY . 15438 1 17 . LYS . 15438 1 18 . PRO . 15438 1 19 . MET . 15438 1 20 . ILE . 15438 1 21 . SER . 15438 1 22 . LEU . 15438 1 23 . VAL . 15438 1 24 . ASP . 15438 1 25 . GLY . 15438 1 26 . GLU . 15438 1 27 . GLU . 15438 1 28 . ILE . 15438 1 29 . LYS . 15438 1 30 . GLY . 15438 1 31 . THR . 15438 1 32 . VAL . 15438 1 33 . TYR . 15438 1 34 . LEU . 15438 1 35 . GLY . 15438 1 36 . ASP . 15438 1 37 . GLY . 15438 1 38 . TRP . 15438 1 39 . SER . 15438 1 40 . ALA . 15438 1 41 . LYS . 15438 1 42 . LYS . 15438 1 43 . ASP . 15438 1 44 . GLY . 15438 1 45 . ALA . 15438 1 46 . THR . 15438 1 47 . ILE . 15438 1 48 . VAL . 15438 1 49 . ILE . 15438 1 50 . SER . 15438 1 51 . PRO . 15438 1 52 . ALA . 15438 1 53 . GLU . 15438 1 54 . GLU . 15438 1 55 . THR . 15438 1 56 . ALA . 15438 1 57 . LEU . 15438 1 58 . PHE . 15438 1 59 . LYS . 15438 1 60 . ALA . 15438 1 61 . LYS . 15438 1 62 . HIS . 15438 1 63 . ILE . 15438 1 64 . SER . 15438 1 65 . ALA . 15438 1 66 . ALA . 15438 1 67 . HIS . 15438 1 68 . LEU . 15438 1 69 . LYS . 15438 1 70 . ILE . 15438 1 71 . ILE . 15438 1 72 . ALA . 15438 1 73 . LYS . 15438 1 74 . ASN . 15438 1 75 . LEU . 15438 1 76 . LEU . 15438 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 15438 1 . THR 2 2 15438 1 . LEU 3 3 15438 1 . THR 4 4 15438 1 . SER 5 5 15438 1 . GLU 6 6 15438 1 . VAL 7 7 15438 1 . ILE 8 8 15438 1 . LYS 9 9 15438 1 . ALA 10 10 15438 1 . ASN 11 11 15438 1 . LYS 12 12 15438 1 . GLY 13 13 15438 1 . ARG 14 14 15438 1 . GLU 15 15 15438 1 . GLY 16 16 15438 1 . LYS 17 17 15438 1 . PRO 18 18 15438 1 . MET 19 19 15438 1 . ILE 20 20 15438 1 . SER 21 21 15438 1 . LEU 22 22 15438 1 . VAL 23 23 15438 1 . ASP 24 24 15438 1 . GLY 25 25 15438 1 . GLU 26 26 15438 1 . GLU 27 27 15438 1 . ILE 28 28 15438 1 . LYS 29 29 15438 1 . GLY 30 30 15438 1 . THR 31 31 15438 1 . VAL 32 32 15438 1 . TYR 33 33 15438 1 . LEU 34 34 15438 1 . GLY 35 35 15438 1 . ASP 36 36 15438 1 . GLY 37 37 15438 1 . TRP 38 38 15438 1 . SER 39 39 15438 1 . ALA 40 40 15438 1 . LYS 41 41 15438 1 . LYS 42 42 15438 1 . ASP 43 43 15438 1 . GLY 44 44 15438 1 . ALA 45 45 15438 1 . THR 46 46 15438 1 . ILE 47 47 15438 1 . VAL 48 48 15438 1 . ILE 49 49 15438 1 . SER 50 50 15438 1 . PRO 51 51 15438 1 . ALA 52 52 15438 1 . GLU 53 53 15438 1 . GLU 54 54 15438 1 . THR 55 55 15438 1 . ALA 56 56 15438 1 . LEU 57 57 15438 1 . PHE 58 58 15438 1 . LYS 59 59 15438 1 . ALA 60 60 15438 1 . LYS 61 61 15438 1 . HIS 62 62 15438 1 . ILE 63 63 15438 1 . SER 64 64 15438 1 . ALA 65 65 15438 1 . ALA 66 66 15438 1 . HIS 67 67 15438 1 . LEU 68 68 15438 1 . LYS 69 69 15438 1 . ILE 70 70 15438 1 . ILE 71 71 15438 1 . ALA 72 72 15438 1 . LYS 73 73 15438 1 . ASN 74 74 15438 1 . LEU 75 75 15438 1 . LEU 76 76 15438 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 15438 _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 . 10665 organism . 'T4 phage' 'T4 phage' . . Viruses . 'T4-like viruses' 'Enterobacteria phage T4 sensu lato' . . . . . . . . . . . ip1 'dispensable internal protein I' 15438 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 15438 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET15b . . . 15438 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15438 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 500 . . mM . . . . 15438 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 15438 1 3 D2O . . . . . . . 10 . . % . . . . 15438 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15438 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 15438 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 15438 1 pH 4.8 . pH 15438 1 pressure 1 . atm 15438 1 temperature 310 . K 15438 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15438 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15438 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15438 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 15438 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15438 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15438 _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 Bruker DMX . 600 'with cryoprobe' . . 15438 1 2 spectrometer_2 Bruker Avance . 800 'with cryoprobe' . . 15438 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 15438 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15438 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15438 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15438 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15438 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15438 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15438 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15438 1 8 '4D 15N-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15438 1 9 '4D 13C-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15438 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 15438 _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 TSP 'methyl protons' . . . . ppm 0 external indirect 0.10132905 . . . . . 15438 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 15438 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.25144953 . . . . . 15438 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 15438 _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' . . . 15438 1 3 '3D HNCACB' . . . 15438 1 4 '3D CBCA(CO)NH' . . . 15438 1 5 '3D H(CCO)NH' . . . 15438 1 6 '3D C(CO)NH' . . . 15438 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 ALA H H 1 8.14 0.05 . 1 . . . . . 1 A NH . 15438 1 2 . 1 1 1 1 ALA HA H 1 4.45 0.05 . 1 . . . . . 1 A HA . 15438 1 3 . 1 1 1 1 ALA HB1 H 1 1.41 0.05 . 1 . . . . . 1 A HB . 15438 1 4 . 1 1 1 1 ALA HB2 H 1 1.41 0.05 . 1 . . . . . 1 A HB . 15438 1 5 . 1 1 1 1 ALA HB3 H 1 1.41 0.05 . 1 . . . . . 1 A HB . 15438 1 6 . 1 1 1 1 ALA CA C 13 51.63 0.3 . 1 . . . . . 1 A CA . 15438 1 7 . 1 1 1 1 ALA CB C 13 19 0.3 . 1 . . . . . 1 A CB . 15438 1 8 . 1 1 1 1 ALA N N 15 125.29 0.1 . 1 . . . . . 1 A N . 15438 1 9 . 1 1 2 2 THR H H 1 7.93 0.05 . 1 . . . . . 2 T NH . 15438 1 10 . 1 1 2 2 THR HA H 1 4.47 0.05 . 1 . . . . . 2 T HA . 15438 1 11 . 1 1 2 2 THR HB H 1 4.65 0.05 . 1 . . . . . 2 T HB . 15438 1 12 . 1 1 2 2 THR HG21 H 1 1.31 0.05 . 1 . . . . . 2 T HG . 15438 1 13 . 1 1 2 2 THR HG22 H 1 1.31 0.05 . 1 . . . . . 2 T HG . 15438 1 14 . 1 1 2 2 THR HG23 H 1 1.31 0.05 . 1 . . . . . 2 T HG . 15438 1 15 . 1 1 2 2 THR CA C 13 60.25 0.3 . 1 . . . . . 2 T CA . 15438 1 16 . 1 1 2 2 THR CB C 13 71.13 0.3 . 1 . . . . . 2 T CB . 15438 1 17 . 1 1 2 2 THR CG2 C 13 21.63 0.3 . 1 . . . . . 2 T CG . 15438 1 18 . 1 1 2 2 THR N N 15 111.88 0.1 . 1 . . . . . 2 T N . 15438 1 19 . 1 1 3 3 LEU H H 1 8.84 0.05 . 1 . . . . . 3 L NH . 15438 1 20 . 1 1 3 3 LEU HA H 1 4.11 0.05 . 1 . . . . . 3 L HA . 15438 1 21 . 1 1 3 3 LEU HB2 H 1 1.6 0.05 . 1 . . . . . 3 L HB . 15438 1 22 . 1 1 3 3 LEU HB3 H 1 1.6 0.05 . 1 . . . . . 3 L HB . 15438 1 23 . 1 1 3 3 LEU HD11 H 1 0.79 0.05 . 1 . . . . . 3 L HD1 . 15438 1 24 . 1 1 3 3 LEU HD12 H 1 0.79 0.05 . 1 . . . . . 3 L HD1 . 15438 1 25 . 1 1 3 3 LEU HD13 H 1 0.79 0.05 . 1 . . . . . 3 L HD1 . 15438 1 26 . 1 1 3 3 LEU HD21 H 1 0.79 0.05 . 1 . . . . . 3 L HD2 . 15438 1 27 . 1 1 3 3 LEU HD22 H 1 0.79 0.05 . 1 . . . . . 3 L HD2 . 15438 1 28 . 1 1 3 3 LEU HD23 H 1 0.79 0.05 . 1 . . . . . 3 L HD2 . 15438 1 29 . 1 1 3 3 LEU HG H 1 1.5 0.05 . 1 . . . . . 3 L HG . 15438 1 30 . 1 1 3 3 LEU CA C 13 57.85 0.3 . 1 . . . . . 3 L CA . 15438 1 31 . 1 1 3 3 LEU CB C 13 41.12 0.3 . 1 . . . . . 3 L CB . 15438 1 32 . 1 1 3 3 LEU CD1 C 13 23.13 0.3 . 1 . . . . . 3 L CD1 . 15438 1 33 . 1 1 3 3 LEU CD2 C 13 25 0.3 . 1 . . . . . 3 L CD2 . 15438 1 34 . 1 1 3 3 LEU CG C 13 26.88 0.3 . 1 . . . . . 3 L CG . 15438 1 35 . 1 1 3 3 LEU N N 15 124.83 0.1 . 1 . . . . . 3 L N . 15438 1 36 . 1 1 4 4 THR H H 1 8.03 0.05 . 1 . . . . . 4 T NH . 15438 1 37 . 1 1 4 4 THR HA H 1 3.57 0.05 . 1 . . . . . 4 T HA . 15438 1 38 . 1 1 4 4 THR HB H 1 3.8 0.05 . 1 . . . . . 4 T HB . 15438 1 39 . 1 1 4 4 THR HG21 H 1 1.31 0.05 . 1 . . . . . 4 T HG . 15438 1 40 . 1 1 4 4 THR HG22 H 1 1.31 0.05 . 1 . . . . . 4 T HG . 15438 1 41 . 1 1 4 4 THR HG23 H 1 1.31 0.05 . 1 . . . . . 4 T HG . 15438 1 42 . 1 1 4 4 THR CA C 13 67.11 0.3 . 1 . . . . . 4 T CA . 15438 1 43 . 1 1 4 4 THR CB C 13 68 0.3 . 1 . . . . . 4 T CB . 15438 1 44 . 1 1 4 4 THR CG2 C 13 20.7 0.3 . 1 . . . . . 4 T CG . 15438 1 45 . 1 1 4 4 THR N N 15 115.16 0.1 . 1 . . . . . 4 T N . 15438 1 46 . 1 1 5 5 SER H H 1 7.92 0.05 . 1 . . . . . 5 S NH . 15438 1 47 . 1 1 5 5 SER HA H 1 4.05 0.05 . 1 . . . . . 5 S HA . 15438 1 48 . 1 1 5 5 SER HB2 H 1 4.05 0.05 . 1 . . . . . 5 S HB . 15438 1 49 . 1 1 5 5 SER HB3 H 1 4.05 0.05 . 1 . . . . . 5 S HB . 15438 1 50 . 1 1 5 5 SER CA C 13 61.56 0.3 . 1 . . . . . 5 S CA . 15438 1 51 . 1 1 5 5 SER CB C 13 62.34 0.3 . 1 . . . . . 5 S CB . 15438 1 52 . 1 1 5 5 SER N N 15 116.86 0.1 . 1 . . . . . 5 S N . 15438 1 53 . 1 1 6 6 GLU H H 1 7.89 0.05 . 1 . . . . . 6 E NH . 15438 1 54 . 1 1 6 6 GLU HA H 1 4.11 0.05 . 1 . . . . . 6 E HA . 15438 1 55 . 1 1 6 6 GLU HB2 H 1 2.25 0.05 . 1 . . . . . 6 E HB . 15438 1 56 . 1 1 6 6 GLU HB3 H 1 2.25 0.05 . 1 . . . . . 6 E HB . 15438 1 57 . 1 1 6 6 GLU HG2 H 1 1.78 0.05 . 1 . . . . . 6 E HG . 15438 1 58 . 1 1 6 6 GLU HG3 H 1 1.78 0.05 . 1 . . . . . 6 E HG . 15438 1 59 . 1 1 6 6 GLU CA C 13 58.82 0.3 . 1 . . . . . 6 E CA . 15438 1 60 . 1 1 6 6 GLU CB C 13 29.33 0.3 . 1 . . . . . 6 E CB . 15438 1 61 . 1 1 6 6 GLU CG C 13 35.55 0.3 . 1 . . . . . 6 E CG . 15438 1 62 . 1 1 6 6 GLU N N 15 123.71 0.1 . 1 . . . . . 6 E N . 15438 1 63 . 1 1 7 7 VAL H H 1 8.59 0.05 . 1 . . . . . 7 V NH . 15438 1 64 . 1 1 7 7 VAL HA H 1 3.54 0.05 . 1 . . . . . 7 V HA . 15438 1 65 . 1 1 7 7 VAL HB H 1 3 0.05 . 1 . . . . . 7 V HB . 15438 1 66 . 1 1 7 7 VAL HG11 H 1 1.19 0.05 . 1 . . . . . 7 V HG1 . 15438 1 67 . 1 1 7 7 VAL HG12 H 1 1.19 0.05 . 1 . . . . . 7 V HG1 . 15438 1 68 . 1 1 7 7 VAL HG13 H 1 1.19 0.05 . 1 . . . . . 7 V HG1 . 15438 1 69 . 1 1 7 7 VAL HG21 H 1 1 0.05 . 1 . . . . . 7 V HG2 . 15438 1 70 . 1 1 7 7 VAL HG22 H 1 1 0.05 . 1 . . . . . 7 V HG2 . 15438 1 71 . 1 1 7 7 VAL HG23 H 1 1 0.05 . 1 . . . . . 7 V HG2 . 15438 1 72 . 1 1 7 7 VAL CA C 13 67.22 0.3 . 1 . . . . . 7 V CA . 15438 1 73 . 1 1 7 7 VAL CB C 13 31.67 0.3 . 1 . . . . . 7 V CB . 15438 1 74 . 1 1 7 7 VAL CG1 C 13 23.5 0.3 . 1 . . . . . 7 V CG1 . 15438 1 75 . 1 1 7 7 VAL CG2 C 13 22 0.3 . 1 . . . . . 7 V CG2 . 15438 1 76 . 1 1 7 7 VAL N N 15 123.3 0.1 . 1 . . . . . 7 V N . 15438 1 77 . 1 1 8 8 ILE H H 1 8.3 0.05 . 1 . . . . . 8 I NH . 15438 1 78 . 1 1 8 8 ILE HA H 1 3.74 0.05 . 1 . . . . . 8 I HA . 15438 1 79 . 1 1 8 8 ILE HB H 1 2.02 0.05 . 1 . . . . . 8 I HB . 15438 1 80 . 1 1 8 8 ILE HG12 H 1 1.31 0.05 . 1 . . . . . 8 I HG1 . 15438 1 81 . 1 1 8 8 ILE HG13 H 1 1.31 0.05 . 1 . . . . . 8 I HG1 . 15438 1 82 . 1 1 8 8 ILE HG21 H 1 0.8 0.05 . 1 . . . . . 8 I HG2 . 15438 1 83 . 1 1 8 8 ILE HG22 H 1 0.8 0.05 . 1 . . . . . 8 I HG2 . 15438 1 84 . 1 1 8 8 ILE HG23 H 1 0.8 0.05 . 1 . . . . . 8 I HG2 . 15438 1 85 . 1 1 8 8 ILE CA C 13 65.07 0.3 . 1 . . . . . 8 I CA . 15438 1 86 . 1 1 8 8 ILE CB C 13 37.92 0.3 . 1 . . . . . 8 I CB . 15438 1 87 . 1 1 8 8 ILE CD1 C 13 16 0.3 . 1 . . . . . 8 I CD . 15438 1 88 . 1 1 8 8 ILE CG2 C 13 13.78 0.3 . 1 . . . . . 8 I CG2 . 15438 1 89 . 1 1 8 8 ILE N N 15 121.72 0.1 . 1 . . . . . 8 I N . 15438 1 90 . 1 1 9 9 LYS H H 1 7.86 0.05 . 1 . . . . . 9 K NH . 15438 1 91 . 1 1 9 9 LYS HA H 1 4.02 0.05 . 1 . . . . . 9 K HA . 15438 1 92 . 1 1 9 9 LYS HB2 H 1 1.34 0.05 . 1 . . . . . 9 K HB . 15438 1 93 . 1 1 9 9 LYS HB3 H 1 1.34 0.05 . 1 . . . . . 9 K HB . 15438 1 94 . 1 1 9 9 LYS HE2 H 1 3 0.05 . 1 . . . . . 9 K HE . 15438 1 95 . 1 1 9 9 LYS HE3 H 1 3 0.05 . 1 . . . . . 9 K HE . 15438 1 96 . 1 1 9 9 LYS HG2 H 1 1.71 0.05 . 1 . . . . . 9 K HG . 15438 1 97 . 1 1 9 9 LYS HG3 H 1 1.71 0.05 . 1 . . . . . 9 K HG . 15438 1 98 . 1 1 9 9 LYS CA C 13 59.6 0.3 . 1 . . . . . 9 K CA . 15438 1 99 . 1 1 9 9 LYS CB C 13 32.45 0.3 . 1 . . . . . 9 K CB . 15438 1 100 . 1 1 9 9 LYS CD C 13 29.02 0.3 . 1 . . . . . 9 K CD . 15438 1 101 . 1 1 9 9 LYS CE C 13 41.55 0.3 . 1 . . . . . 9 K CE . 15438 1 102 . 1 1 9 9 LYS N N 15 120.78 0.1 . 1 . . . . . 9 K N . 15438 1 103 . 1 1 10 10 ALA H H 1 7.89 0.05 . 1 . . . . . 10 A NH . 15438 1 104 . 1 1 10 10 ALA HA H 1 4.11 0.05 . 1 . . . . . 10 A HA . 15438 1 105 . 1 1 10 10 ALA HB1 H 1 1.19 0.05 . 1 . . . . . 10 A HB . 15438 1 106 . 1 1 10 10 ALA HB2 H 1 1.19 0.05 . 1 . . . . . 10 A HB . 15438 1 107 . 1 1 10 10 ALA HB3 H 1 1.19 0.05 . 1 . . . . . 10 A HB . 15438 1 108 . 1 1 10 10 ALA CA C 13 53.74 0.3 . 1 . . . . . 10 A CA . 15438 1 109 . 1 1 10 10 ALA CB C 13 18.39 0.3 . 1 . . . . . 10 A CB . 15438 1 110 . 1 1 10 10 ALA N N 15 119.67 0.1 . 1 . . . . . 10 A N . 15438 1 111 . 1 1 11 11 ASN H H 1 7.32 0.05 . 1 . . . . . 11 N NH . 15438 1 112 . 1 1 11 11 ASN HA H 1 3.88 0.05 . 1 . . . . . 11 N HA . 15438 1 113 . 1 1 11 11 ASN CA C 13 52.96 0.3 . 1 . . . . . 11 N CA . 15438 1 114 . 1 1 11 11 ASN CB C 13 38.31 0.3 . 1 . . . . . 11 N CB . 15438 1 115 . 1 1 11 11 ASN N N 15 113.05 0.1 . 1 . . . . . 11 N N . 15438 1 116 . 1 1 12 12 LYS H H 1 6.89 0.05 . 1 . . . . . 12 K NH . 15438 1 117 . 1 1 12 12 LYS HA H 1 4.25 0.05 . 1 . . . . . 12 K HA . 15438 1 118 . 1 1 12 12 LYS HB2 H 1 1.62 0.05 . 1 . . . . . 12 K HB . 15438 1 119 . 1 1 12 12 LYS HB3 H 1 1.62 0.05 . 1 . . . . . 12 K HB . 15438 1 120 . 1 1 12 12 LYS HD2 H 1 1.71 0.05 . 1 . . . . . 12 K HD . 15438 1 121 . 1 1 12 12 LYS HD3 H 1 1.71 0.05 . 1 . . . . . 12 K HD . 15438 1 122 . 1 1 12 12 LYS HE2 H 1 2.9 0.05 . 1 . . . . . 12 K HE . 15438 1 123 . 1 1 12 12 LYS HE3 H 1 2.9 0.05 . 1 . . . . . 12 K HE . 15438 1 124 . 1 1 12 12 LYS HG2 H 1 1.51 0.05 . 1 . . . . . 12 K HG . 15438 1 125 . 1 1 12 12 LYS HG3 H 1 1.51 0.05 . 1 . . . . . 12 K HG . 15438 1 126 . 1 1 12 12 LYS CA C 13 58.04 0.3 . 1 . . . . . 12 K CA . 15438 1 127 . 1 1 12 12 LYS CB C 13 31.87 0.3 . 1 . . . . . 12 K CB . 15438 1 128 . 1 1 12 12 LYS CD C 13 28.67 0.3 . 1 . . . . . 12 K CD . 15438 1 129 . 1 1 12 12 LYS CE C 13 41.56 0.3 . 1 . . . . . 12 K CE . 15438 1 130 . 1 1 12 12 LYS CG C 13 23.75 0.3 . 1 . . . . . 12 K CG . 15438 1 131 . 1 1 12 12 LYS N N 15 122.07 0.1 . 1 . . . . . 12 K N . 15438 1 132 . 1 1 13 13 GLY H H 1 9.54 0.05 . 1 . . . . . 13 G NH . 15438 1 133 . 1 1 13 13 GLY HA2 H 1 4.2 0.05 . 1 . . . . . 13 G HA . 15438 1 134 . 1 1 13 13 GLY HA3 H 1 4.2 0.05 . 1 . . . . . 13 G HA . 15438 1 135 . 1 1 13 13 GLY CA C 13 45.73 0.3 . 1 . . . . . 13 G CA . 15438 1 136 . 1 1 13 13 GLY N N 15 116.54 0.1 . 1 . . . . . 13 G N . 15438 1 137 . 1 1 14 14 ARG H H 1 8.15 0.05 . 1 . . . . . 14 R NH . 15438 1 138 . 1 1 14 14 ARG HA H 1 4.25 0.05 . 1 . . . . . 14 R HA . 15438 1 139 . 1 1 14 14 ARG HB2 H 1 3.74 0.05 . 1 . . . . . 14 R HB . 15438 1 140 . 1 1 14 14 ARG HB3 H 1 3.74 0.05 . 1 . . . . . 14 R HB . 15438 1 141 . 1 1 14 14 ARG CA C 13 55.5 0.3 . 1 . . . . . 14 R CA . 15438 1 142 . 1 1 14 14 ARG CB C 13 28.15 0.3 . 1 . . . . . 14 R CB . 15438 1 143 . 1 1 14 14 ARG CG C 13 27.34 0.3 . 1 . . . . . 14 R CG . 15438 1 144 . 1 1 14 14 ARG N N 15 118.03 0.1 . 1 . . . . . 14 R N . 15438 1 145 . 1 1 15 15 GLU H H 1 10.05 0.05 . 1 . . . . . 15 E NH . 15438 1 146 . 1 1 15 15 GLU HA H 1 3.85 0.05 . 1 . . . . . 15 E HA . 15438 1 147 . 1 1 15 15 GLU HB2 H 1 2 0.05 . 1 . . . . . 15 E HB . 15438 1 148 . 1 1 15 15 GLU HB3 H 1 2 0.05 . 1 . . . . . 15 E HB . 15438 1 149 . 1 1 15 15 GLU CA C 13 60.58 0.3 . 1 . . . . . 15 E CA . 15438 1 150 . 1 1 15 15 GLU CB C 13 27.37 0.3 . 1 . . . . . 15 E CB . 15438 1 151 . 1 1 15 15 GLU CG C 13 37.5 0.3 . 1 . . . . . 15 E CG . 15438 1 152 . 1 1 15 15 GLU N N 15 122.95 0.1 . 1 . . . . . 15 E N . 15438 1 153 . 1 1 16 16 GLY H H 1 9.15 0.05 . 1 . . . . . 16 G NH . 15438 1 154 . 1 1 16 16 GLY HA2 H 1 3.74 0.05 . 1 . . . . . 16 G HA . 15438 1 155 . 1 1 16 16 GLY HA3 H 1 3.74 0.05 . 1 . . . . . 16 G HA . 15438 1 156 . 1 1 16 16 GLY CA C 13 45.54 0.3 . 1 . . . . . 16 G CA . 15438 1 157 . 1 1 16 16 GLY N N 15 111.33 0.1 . 1 . . . . . 16 G N . 15438 1 158 . 1 1 17 17 LYS H H 1 8.8 0.05 . 1 . . . . . 17 K NH . 15438 1 159 . 1 1 17 17 LYS HA H 1 4.92 0.05 . 1 . . . . . 17 K HA . 15438 1 160 . 1 1 17 17 LYS HB2 H 1 1.81 0.05 . 1 . . . . . 17 K HB . 15438 1 161 . 1 1 17 17 LYS HB3 H 1 1.81 0.05 . 1 . . . . . 17 K HB . 15438 1 162 . 1 1 17 17 LYS HD2 H 1 1.61 0.05 . 1 . . . . . 17 K HD . 15438 1 163 . 1 1 17 17 LYS HD3 H 1 1.61 0.05 . 1 . . . . . 17 K HD . 15438 1 164 . 1 1 17 17 LYS HE2 H 1 3 0.05 . 1 . . . . . 17 K HE . 15438 1 165 . 1 1 17 17 LYS HE3 H 1 3 0.05 . 1 . . . . . 17 K HE . 15438 1 166 . 1 1 17 17 LYS HG2 H 1 1.31 0.05 . 1 . . . . . 17 K HG . 15438 1 167 . 1 1 17 17 LYS HG3 H 1 1.31 0.05 . 1 . . . . . 17 K HG . 15438 1 168 . 1 1 17 17 LYS CA C 13 53.55 0.3 . 1 . . . . . 17 K CA . 15438 1 169 . 1 1 17 17 LYS CB C 13 32.26 0.3 . 1 . . . . . 17 K CB . 15438 1 170 . 1 1 17 17 LYS CD C 13 29.13 0.3 . 1 . . . . . 17 K CD . 15438 1 171 . 1 1 17 17 LYS CE C 13 42 0.3 . 1 . . . . . 17 K CE . 15438 1 172 . 1 1 17 17 LYS CG C 13 25.38 0.3 . 1 . . . . . 17 K CG . 15438 1 173 . 1 1 17 17 LYS N N 15 122.54 0.1 . 1 . . . . . 17 K N . 15438 1 174 . 1 1 18 18 PRO CA C 13 63.11 0.05 . 1 . . . . . 18 P NH . 15438 1 175 . 1 1 18 18 PRO HA H 1 3.13 0.05 . 1 . . . . . 18 P HA . 15438 1 176 . 1 1 18 18 PRO CB C 13 32.45 0.1 . 1 . . . . . 18 P N . 15438 1 177 . 1 1 19 19 MET H H 1 8 0.05 . 1 . . . . . 19 M NH . 15438 1 178 . 1 1 19 19 MET HA H 1 4.35 0.05 . 1 . . . . . 19 M HA . 15438 1 179 . 1 1 19 19 MET HB2 H 1 2 0.05 . 1 . . . . . 19 M HB . 15438 1 180 . 1 1 19 19 MET HB3 H 1 2 0.05 . 1 . . . . . 19 M HB . 15438 1 181 . 1 1 19 19 MET HE1 H 1 1.61 0.05 . 1 . . . . . 19 M HE . 15438 1 182 . 1 1 19 19 MET HE2 H 1 1.61 0.05 . 1 . . . . . 19 M HE . 15438 1 183 . 1 1 19 19 MET HE3 H 1 1.61 0.05 . 1 . . . . . 19 M HE . 15438 1 184 . 1 1 19 19 MET HG2 H 1 2.19 0.05 . 1 . . . . . 19 M HG . 15438 1 185 . 1 1 19 19 MET HG3 H 1 2.19 0.05 . 1 . . . . . 19 M HG . 15438 1 186 . 1 1 19 19 MET CA C 13 55.5 0.3 . 1 . . . . . 19 M CA . 15438 1 187 . 1 1 19 19 MET CB C 13 34.8 0.3 . 1 . . . . . 19 M CB . 15438 1 188 . 1 1 19 19 MET CE C 13 17.87 0.3 . 1 . . . . . 19 M CE . 15438 1 189 . 1 1 19 19 MET CG C 13 31.25 0.3 . 1 . . . . . 19 M CG . 15438 1 190 . 1 1 19 19 MET N N 15 124.01 0.1 . 1 . . . . . 19 M N . 15438 1 191 . 1 1 20 20 ILE H H 1 9.27 0.05 . 1 . . . . . 20 I NH . 15438 1 192 . 1 1 20 20 ILE HA H 1 4.29 0.05 . 1 . . . . . 20 I HA . 15438 1 193 . 1 1 20 20 ILE HB H 1 1.41 0.05 . 1 . . . . . 20 I HB . 15438 1 194 . 1 1 20 20 ILE HD11 H 1 1.51 0.05 . 1 . . . . . 20 I HD . 15438 1 195 . 1 1 20 20 ILE HD12 H 1 1.51 0.05 . 1 . . . . . 20 I HD . 15438 1 196 . 1 1 20 20 ILE HD13 H 1 1.51 0.05 . 1 . . . . . 20 I HD . 15438 1 197 . 1 1 20 20 ILE HG21 H 1 0.53 0.05 . 1 . . . . . 20 I HG2 . 15438 1 198 . 1 1 20 20 ILE HG22 H 1 0.53 0.05 . 1 . . . . . 20 I HG2 . 15438 1 199 . 1 1 20 20 ILE HG23 H 1 0.53 0.05 . 1 . . . . . 20 I HG2 . 15438 1 200 . 1 1 20 20 ILE CA C 13 58.43 0.3 . 1 . . . . . 20 I CA . 15438 1 201 . 1 1 20 20 ILE CB C 13 38.51 0.3 . 1 . . . . . 20 I CB . 15438 1 202 . 1 1 20 20 ILE CD1 C 13 18.62 0.3 . 1 . . . . . 20 I CD . 15438 1 203 . 1 1 20 20 ILE CG2 C 13 16.25 0.3 . 1 . . . . . 20 I CG2 . 15438 1 204 . 1 1 20 20 ILE N N 15 123.71 0.1 . 1 . . . . . 20 I N . 15438 1 205 . 1 1 21 21 SER H H 1 8.18 0.05 . 1 . . . . . 21 S NH . 15438 1 206 . 1 1 21 21 SER HA H 1 4.45 0.05 . 1 . . . . . 21 S HA . 15438 1 207 . 1 1 21 21 SER HB2 H 1 3.94 0.05 . 1 . . . . . 21 S HB . 15438 1 208 . 1 1 21 21 SER HB3 H 1 3.94 0.05 . 1 . . . . . 21 S HB . 15438 1 209 . 1 1 21 21 SER CA C 13 56.67 0.3 . 1 . . . . . 21 S CA . 15438 1 210 . 1 1 21 21 SER CB C 13 64.1 0.3 . 1 . . . . . 21 S CB . 15438 1 211 . 1 1 21 21 SER N N 15 118.44 0.1 . 1 . . . . . 21 S N . 15438 1 212 . 1 1 22 22 LEU H H 1 8.81 0.05 . 1 . . . . . 22 L NH . 15438 1 213 . 1 1 22 22 LEU HA H 1 4.15 0.05 . 1 . . . . . 22 L HA . 15438 1 214 . 1 1 22 22 LEU HB2 H 1 1.62 0.05 . 1 . . . . . 22 L HB . 15438 1 215 . 1 1 22 22 LEU HB3 H 1 1.62 0.05 . 1 . . . . . 22 L HB . 15438 1 216 . 1 1 22 22 LEU HD21 H 1 0.72 0.05 . 1 . . . . . 22 L HD2 . 15438 1 217 . 1 1 22 22 LEU HD22 H 1 0.72 0.05 . 1 . . . . . 22 L HD2 . 15438 1 218 . 1 1 22 22 LEU HD23 H 1 0.72 0.05 . 1 . . . . . 22 L HD2 . 15438 1 219 . 1 1 22 22 LEU HG H 1 1.71 0.05 . 1 . . . . . 22 L HG . 15438 1 220 . 1 1 22 22 LEU CA C 13 55.89 0.3 . 1 . . . . . 22 L CA . 15438 1 221 . 1 1 22 22 LEU CB C 13 41.24 0.3 . 1 . . . . . 22 L CB . 15438 1 222 . 1 1 22 22 LEU CD2 C 13 22.7 0.3 . 1 . . . . . 22 L CD2 . 15438 1 223 . 1 1 22 22 LEU CG C 13 25.51 0.3 . 1 . . . . . 22 L CG . 15438 1 224 . 1 1 22 22 LEU N N 15 128.46 0.1 . 1 . . . . . 22 L N . 15438 1 225 . 1 1 23 23 VAL H H 1 8.13 0.05 . 1 . . . . . 23 V NH . 15438 1 226 . 1 1 23 23 VAL HA H 1 3.74 0.05 . 1 . . . . . 23 V HA . 15438 1 227 . 1 1 23 23 VAL HB H 1 1.92 0.05 . 1 . . . . . 23 V HB . 15438 1 228 . 1 1 23 23 VAL HG11 H 1 1.31 0.05 . 1 . . . . . 23 V HG1 . 15438 1 229 . 1 1 23 23 VAL HG12 H 1 1.31 0.05 . 1 . . . . . 23 V HG1 . 15438 1 230 . 1 1 23 23 VAL HG13 H 1 1.31 0.05 . 1 . . . . . 23 V HG1 . 15438 1 231 . 1 1 23 23 VAL HG21 H 1 1.31 0.05 . 1 . . . . . 23 V HG2 . 15438 1 232 . 1 1 23 23 VAL HG22 H 1 1.31 0.05 . 1 . . . . . 23 V HG2 . 15438 1 233 . 1 1 23 23 VAL HG23 H 1 1.31 0.05 . 1 . . . . . 23 V HG2 . 15438 1 234 . 1 1 23 23 VAL CA C 13 64.68 0.3 . 1 . . . . . 23 V CA . 15438 1 235 . 1 1 23 23 VAL CB C 13 31.87 0.3 . 1 . . . . . 23 V CB . 15438 1 236 . 1 1 23 23 VAL CG1 C 13 20.85 0.3 . 1 . . . . . 23 V CG1 . 15438 1 237 . 1 1 23 23 VAL CG2 C 13 17.22 0.3 . 1 . . . . . 23 V CG2 . 15438 1 238 . 1 1 23 23 VAL N N 15 118.97 0.1 . 1 . . . . . 23 V N . 15438 1 239 . 1 1 24 24 ASP H H 1 7.1 0.05 . 1 . . . . . 24 D NH . 15438 1 240 . 1 1 24 24 ASP HA H 1 4.76 0.05 . 1 . . . . . 24 D HA . 15438 1 241 . 1 1 24 24 ASP HB2 H 1 2.37 0.05 . 1 . . . . . 24 D HB . 15438 1 242 . 1 1 24 24 ASP HB3 H 1 2.37 0.05 . 1 . . . . . 24 D HB . 15438 1 243 . 1 1 24 24 ASP CA C 13 52.38 0.3 . 1 . . . . . 24 D CA . 15438 1 244 . 1 1 24 24 ASP CB C 13 41.63 0.3 . 1 . . . . . 24 D CB . 15438 1 245 . 1 1 24 24 ASP N N 15 114.04 0.1 . 1 . . . . . 24 D N . 15438 1 246 . 1 1 25 25 GLY H H 1 7.63 0.05 . 1 . . . . . 25 G NH . 15438 1 247 . 1 1 25 25 GLY HA2 H 1 4.02 0.05 . 1 . . . . . 25 G HA . 15438 1 248 . 1 1 25 25 GLY HA3 H 1 4.02 0.05 . 1 . . . . . 25 G HA . 15438 1 249 . 1 1 25 25 GLY CA C 13 46.13 0.3 . 1 . . . . . 25 G CA . 15438 1 250 . 1 1 25 25 GLY N N 15 108.83 0.1 . 1 . . . . . 25 G N . 15438 1 251 . 1 1 26 26 GLU H H 1 7.78 0.05 . 1 . . . . . 26 E NH . 15438 1 252 . 1 1 26 26 GLU HA H 1 4.45 0.05 . 1 . . . . . 26 E HA . 15438 1 253 . 1 1 26 26 GLU HB2 H 1 2.09 0.05 . 1 . . . . . 26 E HB . 15438 1 254 . 1 1 26 26 GLU HB3 H 1 2.09 0.05 . 1 . . . . . 26 E HB . 15438 1 255 . 1 1 26 26 GLU HG2 H 1 2.22 0.05 . 1 . . . . . 26 E HG . 15438 1 256 . 1 1 26 26 GLU HG3 H 1 2.22 0.05 . 1 . . . . . 26 E HG . 15438 1 257 . 1 1 26 26 GLU CA C 13 54.53 0.3 . 1 . . . . . 26 E CA . 15438 1 258 . 1 1 26 26 GLU CB C 13 30.3 0.3 . 1 . . . . . 26 E CB . 15438 1 259 . 1 1 26 26 GLU CG C 13 34.65 0.3 . 1 . . . . . 26 E CG . 15438 1 260 . 1 1 26 26 GLU N N 15 119.38 0.1 . 1 . . . . . 26 E N . 15438 1 261 . 1 1 27 27 GLU H H 1 8.61 0.05 . 1 . . . . . 27 E NH . 15438 1 262 . 1 1 27 27 GLU HA H 1 4.25 0.05 . 1 . . . . . 27 E HA . 15438 1 263 . 1 1 27 27 GLU HB2 H 1 1.81 0.05 . 1 . . . . . 27 E HB . 15438 1 264 . 1 1 27 27 GLU HB3 H 1 1.81 0.05 . 1 . . . . . 27 E HB . 15438 1 265 . 1 1 27 27 GLU HG2 H 1 2.37 0.05 . 1 . . . . . 27 E HG . 15438 1 266 . 1 1 27 27 GLU HG3 H 1 2.37 0.05 . 1 . . . . . 27 E HG . 15438 1 267 . 1 1 27 27 GLU CA C 13 56.67 0.3 . 1 . . . . . 27 E CA . 15438 1 268 . 1 1 27 27 GLU CB C 13 30.3 0.3 . 1 . . . . . 27 E CB . 15438 1 269 . 1 1 27 27 GLU CG C 13 36.29 0.3 . 1 . . . . . 27 E CG . 15438 1 270 . 1 1 27 27 GLU N N 15 121.19 0.1 . 1 . . . . . 27 E N . 15438 1 271 . 1 1 28 28 ILE H H 1 8.85 0.05 . 1 . . . . . 28 I NH . 15438 1 272 . 1 1 28 28 ILE HA H 1 4.45 0.05 . 1 . . . . . 28 I HA . 15438 1 273 . 1 1 28 28 ILE HG12 H 1 1.51 0.05 . 1 . . . . . 28 I HG1 . 15438 1 274 . 1 1 28 28 ILE HG13 H 1 1.51 0.05 . 1 . . . . . 28 I HG1 . 15438 1 275 . 1 1 28 28 ILE CA C 13 60.58 0.3 . 1 . . . . . 28 I CA . 15438 1 276 . 1 1 28 28 ILE CD1 C 13 17.89 0.3 . 1 . . . . . 28 I CD . 15438 1 277 . 1 1 28 28 ILE CG1 C 13 26.55 0.3 . 1 . . . . . 28 I CG1 . 15438 1 278 . 1 1 28 28 ILE CG2 C 13 13.09 0.3 . 1 . . . . . 28 I CG2 . 15438 1 279 . 1 1 28 28 ILE N N 15 125.12 0.1 . 1 . . . . . 28 I N . 15438 1 280 . 1 1 29 29 LYS H H 1 8.47 0.05 . 1 . . . . . 29 K NH . 15438 1 281 . 1 1 29 29 LYS HA H 1 4.11 0.05 . 1 . . . . . 29 K HA . 15438 1 282 . 1 1 29 29 LYS HB2 H 1 1.62 0.05 . 1 . . . . . 29 K HB . 15438 1 283 . 1 1 29 29 LYS HB3 H 1 1.62 0.05 . 1 . . . . . 29 K HB . 15438 1 284 . 1 1 29 29 LYS HD2 H 1 1.9 0.05 . 1 . . . . . 29 K HD . 15438 1 285 . 1 1 29 29 LYS HD3 H 1 1.9 0.05 . 1 . . . . . 29 K HD . 15438 1 286 . 1 1 29 29 LYS HE2 H 1 3 0.05 . 1 . . . . . 29 K HE . 15438 1 287 . 1 1 29 29 LYS HE3 H 1 3 0.05 . 1 . . . . . 29 K HE . 15438 1 288 . 1 1 29 29 LYS HG2 H 1 1.7 0.05 . 1 . . . . . 29 K HG . 15438 1 289 . 1 1 29 29 LYS HG3 H 1 1.7 0.05 . 1 . . . . . 29 K HG . 15438 1 290 . 1 1 29 29 LYS CA C 13 58.04 0.3 . 1 . . . . . 29 K CA . 15438 1 291 . 1 1 29 29 LYS CB C 13 31.87 0.3 . 1 . . . . . 29 K CB . 15438 1 292 . 1 1 29 29 LYS CD C 13 28.55 0.3 . 1 . . . . . 29 K CD . 15438 1 293 . 1 1 29 29 LYS CE C 13 41.68 0.3 . 1 . . . . . 29 K CE . 15438 1 294 . 1 1 29 29 LYS CG C 13 24.44 0.3 . 1 . . . . . 29 K CG . 15438 1 295 . 1 1 29 29 LYS N N 15 130.1 0.1 . 1 . . . . . 29 K N . 15438 1 296 . 1 1 30 30 GLY H H 1 8.99 0.05 . 1 . . . . . 30 G NH . 15438 1 297 . 1 1 30 30 GLY HA2 H 1 3.85 0.05 . 1 . . . . . 30 G HA . 15438 1 298 . 1 1 30 30 GLY HA3 H 1 3.85 0.05 . 1 . . . . . 30 G HA . 15438 1 299 . 1 1 30 30 GLY CA C 13 44.95 0.3 . 1 . . . . . 30 G CA . 15438 1 300 . 1 1 30 30 GLY N N 15 111.76 0.1 . 1 . . . . . 30 G N . 15438 1 301 . 1 1 31 31 THR H H 1 7.42 0.05 . 1 . . . . . 31 T NH . 15438 1 302 . 1 1 31 31 THR HA H 1 5.47 0.05 . 1 . . . . . 31 T HA . 15438 1 303 . 1 1 31 31 THR HB H 1 1.06 0.05 . 1 . . . . . 31 T HB . 15438 1 304 . 1 1 31 31 THR CA C 13 59.99 0.3 . 1 . . . . . 31 T CA . 15438 1 305 . 1 1 31 31 THR CB C 13 73.47 0.3 . 1 . . . . . 31 T CB . 15438 1 306 . 1 1 31 31 THR N N 15 107.71 0.1 . 1 . . . . . 31 T N . 15438 1 307 . 1 1 32 32 VAL H H 1 8.75 0.05 . 1 . . . . . 32 V NH . 15438 1 308 . 1 1 32 32 VAL HA H 1 4.25 0.05 . 1 . . . . . 32 V HA . 15438 1 309 . 1 1 32 32 VAL HB H 1 1.71 0.05 . 1 . . . . . 32 V HB . 15438 1 310 . 1 1 32 32 VAL HG11 H 1 0.7 0.05 . 1 . . . . . 32 V HG1 . 15438 1 311 . 1 1 32 32 VAL HG12 H 1 0.7 0.05 . 1 . . . . . 32 V HG1 . 15438 1 312 . 1 1 32 32 VAL HG13 H 1 0.7 0.05 . 1 . . . . . 32 V HG1 . 15438 1 313 . 1 1 32 32 VAL CA C 13 60.19 0.3 . 1 . . . . . 32 V CA . 15438 1 314 . 1 1 32 32 VAL CB C 13 34.8 0.3 . 1 . . . . . 32 V CB . 15438 1 315 . 1 1 32 32 VAL CG1 C 13 20.82 0.3 . 1 . . . . . 32 V CG1 . 15438 1 316 . 1 1 32 32 VAL N N 15 117.44 0.1 . 1 . . . . . 32 V N . 15438 1 317 . 1 1 33 33 TYR H H 1 9.45 0.05 . 1 . . . . . 33 Y NH . 15438 1 318 . 1 1 33 33 TYR HA H 1 4.18 0.05 . 1 . . . . . 33 Y HA . 15438 1 319 . 1 1 33 33 TYR HB2 H 1 2.44 0.05 . 1 . . . . . 33 Y HB . 15438 1 320 . 1 1 33 33 TYR HB3 H 1 2.44 0.05 . 1 . . . . . 33 Y HB . 15438 1 321 . 1 1 33 33 TYR CA C 13 58.63 0.3 . 1 . . . . . 33 Y CA . 15438 1 322 . 1 1 33 33 TYR CB C 13 37.34 0.3 . 1 . . . . . 33 Y CB . 15438 1 323 . 1 1 33 33 TYR N N 15 129.04 0.1 . 1 . . . . . 33 Y N . 15438 1 324 . 1 1 34 34 LEU H H 1 8.15 0.05 . 1 . . . . . 34 L NH . 15438 1 325 . 1 1 34 34 LEU HA H 1 4.35 0.05 . 1 . . . . . 34 L HA . 15438 1 326 . 1 1 34 34 LEU HB2 H 1 1.71 0.05 . 1 . . . . . 34 L HB . 15438 1 327 . 1 1 34 34 LEU HB3 H 1 1.71 0.05 . 1 . . . . . 34 L HB . 15438 1 328 . 1 1 34 34 LEU CA C 13 53.94 0.3 . 1 . . . . . 34 L CA . 15438 1 329 . 1 1 34 34 LEU CB C 13 41.24 0.3 . 1 . . . . . 34 L CB . 15438 1 330 . 1 1 34 34 LEU N N 15 126.35 0.1 . 1 . . . . . 34 L N . 15438 1 331 . 1 1 36 36 ASP H H 1 9.15 0.05 . 1 . . . . . 36 D NH . 15438 1 332 . 1 1 36 36 ASP HA H 1 4.35 0.05 . 1 . . . . . 36 D HA . 15438 1 333 . 1 1 36 36 ASP HB2 H 1 3.16 0.05 . 1 . . . . . 36 D HB . 15438 1 334 . 1 1 36 36 ASP HB3 H 1 3.16 0.05 . 1 . . . . . 36 D HB . 15438 1 335 . 1 1 36 36 ASP CA C 13 55.77 0.3 . 1 . . . . . 36 D CA . 15438 1 336 . 1 1 36 36 ASP CB C 13 39.77 0.3 . 1 . . . . . 36 D CB . 15438 1 337 . 1 1 36 36 ASP N N 15 119.73 0.1 . 1 . . . . . 36 D N . 15438 1 338 . 1 1 37 37 GLY H H 1 8.39 0.05 . 1 . . . . . 37 G NH . 15438 1 339 . 1 1 37 37 GLY HA2 H 1 3.47 0.05 . 1 . . . . . 37 G HA . 15438 1 340 . 1 1 37 37 GLY HA3 H 1 3.47 0.05 . 1 . . . . . 37 G HA . 15438 1 341 . 1 1 37 37 GLY CA C 13 45.15 0.3 . 1 . . . . . 37 G CA . 15438 1 342 . 1 1 37 37 GLY N N 15 103.95 0.1 . 1 . . . . . 37 G N . 15438 1 343 . 1 1 38 38 TRP H H 1 7.83 0.05 . 1 . . . . . 38 W NH . 15438 1 344 . 1 1 38 38 TRP HA H 1 4.74 0.05 . 1 . . . . . 38 W HA . 15438 1 345 . 1 1 38 38 TRP HB2 H 1 2.62 0.05 . 1 . . . . . 38 W HB . 15438 1 346 . 1 1 38 38 TRP HB3 H 1 2.62 0.05 . 1 . . . . . 38 W HB . 15438 1 347 . 1 1 38 38 TRP CA C 13 57.06 0.3 . 1 . . . . . 38 W CA . 15438 1 348 . 1 1 38 38 TRP CB C 13 29.91 0.3 . 1 . . . . . 38 W CB . 15438 1 349 . 1 1 38 38 TRP N N 15 121.08 0.1 . 1 . . . . . 38 W N . 15438 1 350 . 1 1 39 39 SER H H 1 8.88 0.05 . 1 . . . . . 39 S NH . 15438 1 351 . 1 1 39 39 SER HA H 1 4.86 0.05 . 1 . . . . . 39 S HA . 15438 1 352 . 1 1 39 39 SER HB2 H 1 3.6 0.05 . 1 . . . . . 39 S HB . 15438 1 353 . 1 1 39 39 SER HB3 H 1 3.6 0.05 . 1 . . . . . 39 S HB . 15438 1 354 . 1 1 39 39 SER CA C 13 57.06 0.3 . 1 . . . . . 39 S CA . 15438 1 355 . 1 1 39 39 SER CB C 13 67.42 0.3 . 1 . . . . . 39 S CB . 15438 1 356 . 1 1 39 39 SER N N 15 113.63 0.1 . 1 . . . . . 39 S N . 15438 1 357 . 1 1 40 40 ALA H H 1 8.81 0.05 . 1 . . . . . 40 A NH . 15438 1 358 . 1 1 40 40 ALA HA H 1 4.05 0.05 . 1 . . . . . 40 A HA . 15438 1 359 . 1 1 40 40 ALA HB1 H 1 1.06 0.05 . 1 . . . . . 40 A HB . 15438 1 360 . 1 1 40 40 ALA HB2 H 1 1.06 0.05 . 1 . . . . . 40 A HB . 15438 1 361 . 1 1 40 40 ALA HB3 H 1 1.06 0.05 . 1 . . . . . 40 A HB . 15438 1 362 . 1 1 40 40 ALA CA C 13 49.06 0.3 . 1 . . . . . 40 A CA . 15438 1 363 . 1 1 40 40 ALA CB C 13 23.86 0.3 . 1 . . . . . 40 A CB . 15438 1 364 . 1 1 40 40 ALA N N 15 120.49 0.1 . 1 . . . . . 40 A N . 15438 1 365 . 1 1 41 41 LYS H H 1 8.32 0.05 . 1 . . . . . 41 K NH . 15438 1 366 . 1 1 41 41 LYS HA H 1 4.86 0.05 . 1 . . . . . 41 K HA . 15438 1 367 . 1 1 41 41 LYS HB2 H 1 1.69 0.05 . 1 . . . . . 41 K HB . 15438 1 368 . 1 1 41 41 LYS HB3 H 1 1.69 0.05 . 1 . . . . . 41 K HB . 15438 1 369 . 1 1 41 41 LYS HD2 H 1 0.97 0.05 . 1 . . . . . 41 K HD . 15438 1 370 . 1 1 41 41 LYS HD3 H 1 0.97 0.05 . 1 . . . . . 41 K HD . 15438 1 371 . 1 1 41 41 LYS HE2 H 1 2.75 0.05 . 1 . . . . . 41 K HE . 15438 1 372 . 1 1 41 41 LYS HE3 H 1 2.75 0.05 . 1 . . . . . 41 K HE . 15438 1 373 . 1 1 41 41 LYS HG2 H 1 1.37 0.05 . 1 . . . . . 41 K HG . 15438 1 374 . 1 1 41 41 LYS HG3 H 1 1.37 0.05 . 1 . . . . . 41 K HG . 15438 1 375 . 1 1 41 41 LYS CA C 13 54.53 0.3 . 1 . . . . . 41 K CA . 15438 1 376 . 1 1 41 41 LYS CB C 13 36.16 0.3 . 1 . . . . . 41 K CB . 15438 1 377 . 1 1 41 41 LYS CD C 13 29.02 0.3 . 1 . . . . . 41 K CD . 15438 1 378 . 1 1 41 41 LYS CE C 13 41.68 0.3 . 1 . . . . . 41 K CE . 15438 1 379 . 1 1 41 41 LYS CG C 13 22.53 0.3 . 1 . . . . . 41 K CG . 15438 1 380 . 1 1 41 41 LYS N N 15 116.8 0.1 . 1 . . . . . 41 K N . 15438 1 381 . 1 1 42 42 LYS H H 1 8.9 0.05 . 1 . . . . . 42 K NH . 15438 1 382 . 1 1 42 42 LYS HA H 1 4.74 0.05 . 1 . . . . . 42 K HA . 15438 1 383 . 1 1 42 42 LYS HB2 H 1 1.56 0.05 . 1 . . . . . 42 K HB . 15438 1 384 . 1 1 42 42 LYS HB3 H 1 1.56 0.05 . 1 . . . . . 42 K HB . 15438 1 385 . 1 1 42 42 LYS HD2 H 1 1.8 0.05 . 1 . . . . . 42 K HD . 15438 1 386 . 1 1 42 42 LYS HD3 H 1 1.8 0.05 . 1 . . . . . 42 K HD . 15438 1 387 . 1 1 42 42 LYS HE2 H 1 3 0.05 . 1 . . . . . 42 K HE . 15438 1 388 . 1 1 42 42 LYS HE3 H 1 3 0.05 . 1 . . . . . 42 K HE . 15438 1 389 . 1 1 42 42 LYS HG2 H 1 1.28 0.05 . 1 . . . . . 42 K HG . 15438 1 390 . 1 1 42 42 LYS HG3 H 1 1.28 0.05 . 1 . . . . . 42 K HG . 15438 1 391 . 1 1 42 42 LYS CA C 13 56.09 0.3 . 1 . . . . . 42 K CA . 15438 1 392 . 1 1 42 42 LYS CB C 13 34.01 0.3 . 1 . . . . . 42 K CB . 15438 1 393 . 1 1 42 42 LYS CD C 13 29.14 0.3 . 1 . . . . . 42 K CD . 15438 1 394 . 1 1 42 42 LYS CE C 13 41.56 0.3 . 1 . . . . . 42 K CE . 15438 1 395 . 1 1 42 42 LYS CG C 13 25.02 0.3 . 1 . . . . . 42 K CG . 15438 1 396 . 1 1 42 42 LYS N N 15 123.77 0.1 . 1 . . . . . 42 K N . 15438 1 397 . 1 1 43 43 ASP H H 1 8.81 0.05 . 1 . . . . . 43 D NH . 15438 1 398 . 1 1 43 43 ASP HA H 1 4.86 0.05 . 1 . . . . . 43 D HA . 15438 1 399 . 1 1 43 43 ASP HB2 H 1 2 0.05 . 1 . . . . . 43 D HB . 15438 1 400 . 1 1 43 43 ASP HB3 H 1 2 0.05 . 1 . . . . . 43 D HB . 15438 1 401 . 1 1 43 43 ASP CA C 13 52.38 0.3 . 1 . . . . . 43 D CA . 15438 1 402 . 1 1 43 43 ASP CB C 13 41.44 0.3 . 1 . . . . . 43 D CB . 15438 1 403 . 1 1 43 43 ASP N N 15 127.52 0.1 . 1 . . . . . 43 D N . 15438 1 404 . 1 1 44 44 GLY H H 1 8.72 0.05 . 1 . . . . . 44 G NH . 15438 1 405 . 1 1 44 44 GLY HA2 H 1 3.64 0.05 . 1 . . . . . 44 G HA . 15438 1 406 . 1 1 44 44 GLY HA3 H 1 3.64 0.05 . 1 . . . . . 44 G HA . 15438 1 407 . 1 1 44 44 GLY CA C 13 47.1 0.3 . 1 . . . . . 44 G CA . 15438 1 408 . 1 1 44 44 GLY N N 15 115.51 0.1 . 1 . . . . . 44 G N . 15438 1 409 . 1 1 45 45 ALA H H 1 8.76 0.05 . 1 . . . . . 45 A NH . 15438 1 410 . 1 1 45 45 ALA HA H 1 4.56 0.05 . 1 . . . . . 45 A HA . 15438 1 411 . 1 1 45 45 ALA HB1 H 1 1.37 0.05 . 1 . . . . . 45 A HB . 15438 1 412 . 1 1 45 45 ALA HB2 H 1 1.37 0.05 . 1 . . . . . 45 A HB . 15438 1 413 . 1 1 45 45 ALA HB3 H 1 1.37 0.05 . 1 . . . . . 45 A HB . 15438 1 414 . 1 1 45 45 ALA CA C 13 51.79 0.3 . 1 . . . . . 45 A CA . 15438 1 415 . 1 1 45 45 ALA CB C 13 18.58 0.3 . 1 . . . . . 45 A CB . 15438 1 416 . 1 1 45 45 ALA N N 15 131.45 0.1 . 1 . . . . . 45 A N . 15438 1 417 . 1 1 46 46 THR H H 1 7.96 0.05 . 1 . . . . . 46 T NH . 15438 1 418 . 1 1 46 46 THR HA H 1 3.95 0.05 . 1 . . . . . 46 T HA . 15438 1 419 . 1 1 46 46 THR HB H 1 4.15 0.05 . 1 . . . . . 46 T HB . 15438 1 420 . 1 1 46 46 THR HG21 H 1 1 0.05 . 1 . . . . . 46 T HG . 15438 1 421 . 1 1 46 46 THR HG22 H 1 1 0.05 . 1 . . . . . 46 T HG . 15438 1 422 . 1 1 46 46 THR HG23 H 1 1 0.05 . 1 . . . . . 46 T HG . 15438 1 423 . 1 1 46 46 THR CA C 13 61.56 0.3 . 1 . . . . . 46 T CA . 15438 1 424 . 1 1 46 46 THR CB C 13 70.93 0.3 . 1 . . . . . 46 T CB . 15438 1 425 . 1 1 46 46 THR CG2 C 13 21.76 0.3 . 1 . . . . . 46 T CG . 15438 1 426 . 1 1 46 46 THR N N 15 116.68 0.1 . 1 . . . . . 46 T N . 15438 1 427 . 1 1 47 47 ILE H H 1 9.17 0.05 . 1 . . . . . 47 I NH . 15438 1 428 . 1 1 47 47 ILE HA H 1 4.35 0.05 . 1 . . . . . 47 I HA . 15438 1 429 . 1 1 47 47 ILE HB H 1 1.92 0.05 . 1 . . . . . 47 I HB . 15438 1 430 . 1 1 47 47 ILE HD11 H 1 0.59 0.05 . 1 . . . . . 47 I HD . 15438 1 431 . 1 1 47 47 ILE HD12 H 1 0.59 0.05 . 1 . . . . . 47 I HD . 15438 1 432 . 1 1 47 47 ILE HD13 H 1 0.59 0.05 . 1 . . . . . 47 I HD . 15438 1 433 . 1 1 47 47 ILE HG12 H 1 1.31 0.05 . 1 . . . . . 47 I HG1 . 15438 1 434 . 1 1 47 47 ILE HG13 H 1 1.31 0.05 . 1 . . . . . 47 I HG1 . 15438 1 435 . 1 1 47 47 ILE HG21 H 1 0.7 0.05 . 1 . . . . . 47 I HG2 . 15438 1 436 . 1 1 47 47 ILE HG22 H 1 0.7 0.05 . 1 . . . . . 47 I HG2 . 15438 1 437 . 1 1 47 47 ILE HG23 H 1 0.7 0.05 . 1 . . . . . 47 I HG2 . 15438 1 438 . 1 1 47 47 ILE CA C 13 58.43 0.3 . 1 . . . . . 47 I CA . 15438 1 439 . 1 1 47 47 ILE CB C 13 36.94 0.3 . 1 . . . . . 47 I CB . 15438 1 440 . 1 1 47 47 ILE CD1 C 13 17.09 0.3 . 1 . . . . . 47 I CD . 15438 1 441 . 1 1 47 47 ILE CG1 C 13 27.03 0.3 . 1 . . . . . 47 I CG1 . 15438 1 442 . 1 1 47 47 ILE CG2 C 13 16.75 0.3 . 1 . . . . . 47 I CG2 . 15438 1 443 . 1 1 47 47 ILE N N 15 126.11 0.1 . 1 . . . . . 47 I N . 15438 1 444 . 1 1 48 48 VAL H H 1 8.76 0.05 . 1 . . . . . 48 V NH . 15438 1 445 . 1 1 48 48 VAL HA H 1 4.65 0.05 . 1 . . . . . 48 V HA . 15438 1 446 . 1 1 48 48 VAL HB H 1 1.74 0.05 . 1 . . . . . 48 V HB . 15438 1 447 . 1 1 48 48 VAL HG11 H 1 0.7 0.05 . 1 . . . . . 48 V HG . 15438 1 448 . 1 1 48 48 VAL HG12 H 1 0.7 0.05 . 1 . . . . . 48 V HG . 15438 1 449 . 1 1 48 48 VAL HG13 H 1 0.7 0.05 . 1 . . . . . 48 V HG . 15438 1 450 . 1 1 48 48 VAL HG21 H 1 0.7 0.05 . 1 . . . . . 48 V HG . 15438 1 451 . 1 1 48 48 VAL HG22 H 1 0.7 0.05 . 1 . . . . . 48 V HG . 15438 1 452 . 1 1 48 48 VAL HG23 H 1 0.7 0.05 . 1 . . . . . 48 V HG . 15438 1 453 . 1 1 48 48 VAL CA C 13 60.58 0.3 . 1 . . . . . 48 V CA . 15438 1 454 . 1 1 48 48 VAL CB C 13 32.45 0.3 . 1 . . . . . 48 V CB . 15438 1 455 . 1 1 48 48 VAL CG1 C 13 20 0.3 . 1 . . . . . 48 V CG1 . 15438 1 456 . 1 1 48 48 VAL N N 15 128.4 0.1 . 1 . . . . . 48 V N . 15438 1 457 . 1 1 49 49 ILE H H 1 9.19 0.05 . 1 . . . . . 49 I NH . 15438 1 458 . 1 1 49 49 ILE HA H 1 4.92 0.05 . 1 . . . . . 49 I HA . 15438 1 459 . 1 1 49 49 ILE HB H 1 2.25 0.05 . 1 . . . . . 49 I HB . 15438 1 460 . 1 1 49 49 ILE HG21 H 1 0.56 0.05 . 1 . . . . . 49 I HG2 . 15438 1 461 . 1 1 49 49 ILE HG22 H 1 0.56 0.05 . 1 . . . . . 49 I HG2 . 15438 1 462 . 1 1 49 49 ILE HG23 H 1 0.56 0.05 . 1 . . . . . 49 I HG2 . 15438 1 463 . 1 1 49 49 ILE CA C 13 60.58 0.3 . 1 . . . . . 49 I CA . 15438 1 464 . 1 1 49 49 ILE CB C 13 39.68 0.3 . 1 . . . . . 49 I CB . 15438 1 465 . 1 1 49 49 ILE CG1 C 13 17.66 0.3 . 1 . . . . . 49 I CG1 . 15438 1 466 . 1 1 49 49 ILE CG2 C 13 14.61 0.3 . 1 . . . . . 49 I CG2 . 15438 1 467 . 1 1 49 49 ILE N N 15 132.15 0.1 . 1 . . . . . 49 I N . 15438 1 468 . 1 1 50 50 SER H H 1 9.42 0.05 . 1 . . . . . 50 S NH . 15438 1 469 . 1 1 50 50 SER HA H 1 4.83 0.05 . 1 . . . . . 50 S HA . 15438 1 470 . 1 1 50 50 SER HB2 H 1 3.64 0.05 . 1 . . . . . 50 S HB . 15438 1 471 . 1 1 50 50 SER HB3 H 1 3.64 0.05 . 1 . . . . . 50 S HB . 15438 1 472 . 1 1 50 50 SER CA C 13 55.5 0.3 . 1 . . . . . 50 S CA . 15438 1 473 . 1 1 50 50 SER CB C 13 64.29 0.3 . 1 . . . . . 50 S CB . 15438 1 474 . 1 1 50 50 SER N N 15 122.01 0.1 . 1 . . . . . 50 S N . 15438 1 475 . 1 1 51 51 PRO CA C 13 60.97 0.05 . 1 . . . . . 51 P NH . 15438 1 476 . 1 1 51 51 PRO CB C 13 31.28 0.1 . 1 . . . . . 51 P N . 15438 1 477 . 1 1 52 52 ALA H H 1 8.02 0.05 . 1 . . . . . 52 A NH . 15438 1 478 . 1 1 52 52 ALA HA H 1 3.85 0.05 . 1 . . . . . 52 A HA . 15438 1 479 . 1 1 52 52 ALA HB1 H 1 1.34 0.05 . 1 . . . . . 52 A HB . 15438 1 480 . 1 1 52 52 ALA HB2 H 1 1.34 0.05 . 1 . . . . . 52 A HB . 15438 1 481 . 1 1 52 52 ALA HB3 H 1 1.34 0.05 . 1 . . . . . 52 A HB . 15438 1 482 . 1 1 52 52 ALA CA C 13 54.53 0.3 . 1 . . . . . 52 A CA . 15438 1 483 . 1 1 52 52 ALA CB C 13 18.58 0.3 . 1 . . . . . 52 A CB . 15438 1 484 . 1 1 52 52 ALA N N 15 124.42 0.1 . 1 . . . . . 52 A N . 15438 1 485 . 1 1 53 53 GLU H H 1 6.96 0.05 . 1 . . . . . 53 E NH . 15438 1 486 . 1 1 53 53 GLU HA H 1 4.29 0.05 . 1 . . . . . 53 E HA . 15438 1 487 . 1 1 53 53 GLU HB2 H 1 2 0.05 . 1 . . . . . 53 E HB . 15438 1 488 . 1 1 53 53 GLU HB3 H 1 2 0.05 . 1 . . . . . 53 E HB . 15438 1 489 . 1 1 53 53 GLU HG2 H 1 1.81 0.05 . 1 . . . . . 53 E HG . 15438 1 490 . 1 1 53 53 GLU HG3 H 1 1.81 0.05 . 1 . . . . . 53 E HG . 15438 1 491 . 1 1 53 53 GLU CA C 13 54.53 0.3 . 1 . . . . . 53 E CA . 15438 1 492 . 1 1 53 53 GLU CB C 13 32.84 0.3 . 1 . . . . . 53 E CB . 15438 1 493 . 1 1 53 53 GLU CG C 13 36.41 0.3 . 1 . . . . . 53 E CG . 15438 1 494 . 1 1 53 53 GLU N N 15 110.88 0.1 . 1 . . . . . 53 E N . 15438 1 495 . 1 1 54 54 GLU H H 1 8.6 0.05 . 1 . . . . . 54 E NH . 15438 1 496 . 1 1 54 54 GLU HA H 1 4.65 0.05 . 1 . . . . . 54 E HA . 15438 1 497 . 1 1 54 54 GLU HB2 H 1 2.03 0.05 . 1 . . . . . 54 E HB . 15438 1 498 . 1 1 54 54 GLU HB3 H 1 2.03 0.05 . 1 . . . . . 54 E HB . 15438 1 499 . 1 1 54 54 GLU HG2 H 1 2.5 0.05 . 1 . . . . . 54 E HG . 15438 1 500 . 1 1 54 54 GLU HG3 H 1 2.5 0.05 . 1 . . . . . 54 E HG . 15438 1 501 . 1 1 54 54 GLU CA C 13 56.48 0.3 . 1 . . . . . 54 E CA . 15438 1 502 . 1 1 54 54 GLU CB C 13 30.11 0.3 . 1 . . . . . 54 E CB . 15438 1 503 . 1 1 54 54 GLU CG C 13 37.58 0.3 . 1 . . . . . 54 E CG . 15438 1 504 . 1 1 54 54 GLU N N 15 124.3 0.1 . 1 . . . . . 54 E N . 15438 1 505 . 1 1 55 55 THR H H 1 8.84 0.05 . 1 . . . . . 55 T NH . 15438 1 506 . 1 1 55 55 THR HA H 1 4.86 0.05 . 1 . . . . . 55 T HA . 15438 1 507 . 1 1 55 55 THR HB H 1 1.12 0.05 . 1 . . . . . 55 T HB . 15438 1 508 . 1 1 55 55 THR CA C 13 58.82 0.3 . 1 . . . . . 55 T CA . 15438 1 509 . 1 1 55 55 THR CB C 13 72.29 0.3 . 1 . . . . . 55 T CB . 15438 1 510 . 1 1 55 55 THR N N 15 116.56 0.1 . 1 . . . . . 55 T N . 15438 1 511 . 1 1 56 56 ALA H H 1 8.5 0.05 . 1 . . . . . 56 A NH . 15438 1 512 . 1 1 56 56 ALA HA H 1 4.02 0.05 . 1 . . . . . 56 A HA . 15438 1 513 . 1 1 56 56 ALA HB1 H 1 1.34 0.05 . 1 . . . . . 56 A HB . 15438 1 514 . 1 1 56 56 ALA HB2 H 1 1.34 0.05 . 1 . . . . . 56 A HB . 15438 1 515 . 1 1 56 56 ALA HB3 H 1 1.34 0.05 . 1 . . . . . 56 A HB . 15438 1 516 . 1 1 56 56 ALA CA C 13 54.92 0.3 . 1 . . . . . 56 A CA . 15438 1 517 . 1 1 56 56 ALA CB C 13 18 0.3 . 1 . . . . . 56 A CB . 15438 1 518 . 1 1 56 56 ALA N N 15 121.13 0.1 . 1 . . . . . 56 A N . 15438 1 519 . 1 1 57 57 LEU H H 1 7.5 0.05 . 1 . . . . . 57 L NH . 15438 1 520 . 1 1 57 57 LEU HA H 1 4.29 0.05 . 1 . . . . . 57 L HA . 15438 1 521 . 1 1 57 57 LEU HB2 H 1 1.31 0.05 . 1 . . . . . 57 L HB . 15438 1 522 . 1 1 57 57 LEU HB3 H 1 1.31 0.05 . 1 . . . . . 57 L HB . 15438 1 523 . 1 1 57 57 LEU HD11 H 1 0.68 0.05 . 1 . . . . . 57 L HD1 . 15438 1 524 . 1 1 57 57 LEU HD12 H 1 0.68 0.05 . 1 . . . . . 57 L HD1 . 15438 1 525 . 1 1 57 57 LEU HD13 H 1 0.68 0.05 . 1 . . . . . 57 L HD1 . 15438 1 526 . 1 1 57 57 LEU HD21 H 1 0.68 0.05 . 1 . . . . . 57 L HD2 . 15438 1 527 . 1 1 57 57 LEU HD22 H 1 0.68 0.05 . 1 . . . . . 57 L HD2 . 15438 1 528 . 1 1 57 57 LEU HD23 H 1 0.68 0.05 . 1 . . . . . 57 L HD2 . 15438 1 529 . 1 1 57 57 LEU HG H 1 1.06 0.05 . 1 . . . . . 57 L HG . 15438 1 530 . 1 1 57 57 LEU CA C 13 54.92 0.3 . 1 . . . . . 57 L CA . 15438 1 531 . 1 1 57 57 LEU CB C 13 43.2 0.3 . 1 . . . . . 57 L CB . 15438 1 532 . 1 1 57 57 LEU CD1 C 13 23.87 0.3 . 1 . . . . . 57 L CD1 . 15438 1 533 . 1 1 57 57 LEU CD2 C 13 22.58 0.3 . 1 . . . . . 57 L CD2 . 15438 1 534 . 1 1 57 57 LEU CG C 13 26.56 0.3 . 1 . . . . . 57 L CG . 15438 1 535 . 1 1 57 57 LEU N N 15 114.45 0.1 . 1 . . . . . 57 L N . 15438 1 536 . 1 1 58 58 PHE H H 1 7.52 0.05 . 1 . . . . . 58 F NH . 15438 1 537 . 1 1 58 58 PHE HA H 1 5.27 0.05 . 1 . . . . . 58 F HA . 15438 1 538 . 1 1 58 58 PHE HB2 H 1 3.13 0.05 . 1 . . . . . 58 F HB . 15438 1 539 . 1 1 58 58 PHE HB3 H 1 3.13 0.05 . 1 . . . . . 58 F HB . 15438 1 540 . 1 1 58 58 PHE CA C 13 55.5 0.3 . 1 . . . . . 58 F CA . 15438 1 541 . 1 1 58 58 PHE CB C 13 39.29 0.3 . 1 . . . . . 58 F CB . 15438 1 542 . 1 1 58 58 PHE N N 15 120.96 0.1 . 1 . . . . . 58 F N . 15438 1 543 . 1 1 59 59 LYS H H 1 8.13 0.05 . 1 . . . . . 59 K NH . 15438 1 544 . 1 1 59 59 LYS HA H 1 4.92 0.05 . 1 . . . . . 59 K HA . 15438 1 545 . 1 1 59 59 LYS HB2 H 1 1.75 0.05 . 1 . . . . . 59 K HB . 15438 1 546 . 1 1 59 59 LYS HB3 H 1 1.75 0.05 . 1 . . . . . 59 K HB . 15438 1 547 . 1 1 59 59 LYS HD2 H 1 1.71 0.05 . 1 . . . . . 59 K HD . 15438 1 548 . 1 1 59 59 LYS HD3 H 1 1.71 0.05 . 1 . . . . . 59 K HD . 15438 1 549 . 1 1 59 59 LYS HE2 H 1 2.94 0.05 . 1 . . . . . 59 K HE . 15438 1 550 . 1 1 59 59 LYS HE3 H 1 2.94 0.05 . 1 . . . . . 59 K HE . 15438 1 551 . 1 1 59 59 LYS HG2 H 1 1.44 0.05 . 1 . . . . . 59 K HG . 15438 1 552 . 1 1 59 59 LYS HG3 H 1 1.44 0.05 . 1 . . . . . 59 K HG . 15438 1 553 . 1 1 59 59 LYS CA C 13 53.35 0.3 . 1 . . . . . 59 K CA . 15438 1 554 . 1 1 59 59 LYS CB C 13 35.97 0.3 . 1 . . . . . 59 K CB . 15438 1 555 . 1 1 59 59 LYS CD C 13 28.42 0.3 . 1 . . . . . 59 K CD . 15438 1 556 . 1 1 59 59 LYS CE C 13 42.15 0.3 . 1 . . . . . 59 K CE . 15438 1 557 . 1 1 59 59 LYS CG C 13 24.32 0.3 . 1 . . . . . 59 K CG . 15438 1 558 . 1 1 59 59 LYS N N 15 121.54 0.1 . 1 . . . . . 59 K N . 15438 1 559 . 1 1 60 60 ALA H H 1 8.98 0.05 . 1 . . . . . 60 A NH . 15438 1 560 . 1 1 60 60 ALA HA H 1 5.06 0.05 . 1 . . . . . 60 A HA . 15438 1 561 . 1 1 60 60 ALA HB1 H 1 1.37 0.05 . 1 . . . . . 60 A HB . 15438 1 562 . 1 1 60 60 ALA HB2 H 1 1.37 0.05 . 1 . . . . . 60 A HB . 15438 1 563 . 1 1 60 60 ALA HB3 H 1 1.37 0.05 . 1 . . . . . 60 A HB . 15438 1 564 . 1 1 60 60 ALA CA C 13 52.38 0.3 . 1 . . . . . 60 A CA . 15438 1 565 . 1 1 60 60 ALA CB C 13 18.78 0.3 . 1 . . . . . 60 A CB . 15438 1 566 . 1 1 60 60 ALA N N 15 123.24 0.1 . 1 . . . . . 60 A N . 15438 1 567 . 1 1 61 61 LYS H H 1 9.36 0.05 . 1 . . . . . 61 K NH . 15438 1 568 . 1 1 61 61 LYS HA H 1 4.92 0.05 . 1 . . . . . 61 K HA . 15438 1 569 . 1 1 61 61 LYS HB2 H 1 1.81 0.05 . 1 . . . . . 61 K HB . 15438 1 570 . 1 1 61 61 LYS HB3 H 1 1.81 0.05 . 1 . . . . . 61 K HB . 15438 1 571 . 1 1 61 61 LYS HG2 H 1 2.9 0.05 . 1 . . . . . 61 K HG . 15438 1 572 . 1 1 61 61 LYS HG3 H 1 2.9 0.05 . 1 . . . . . 61 K HG . 15438 1 573 . 1 1 61 61 LYS CA C 13 54.53 0.3 . 1 . . . . . 61 K CA . 15438 1 574 . 1 1 61 61 LYS CB C 13 35.97 0.3 . 1 . . . . . 61 K CB . 15438 1 575 . 1 1 61 61 LYS CG C 13 29.88 0.3 . 1 . . . . . 61 K CG . 15438 1 576 . 1 1 61 61 LYS N N 15 120.43 0.1 . 1 . . . . . 61 K N . 15438 1 577 . 1 1 63 63 ILE H H 1 8.92 0.05 . 1 . . . . . 63 I NH . 15438 1 578 . 1 1 63 63 ILE HA H 1 4.45 0.05 . 1 . . . . . 63 I HA . 15438 1 579 . 1 1 63 63 ILE HB H 1 1.72 0.05 . 1 . . . . . 63 I HB . 15438 1 580 . 1 1 63 63 ILE HD11 H 1 0.8 0.05 . 1 . . . . . 63 I HD . 15438 1 581 . 1 1 63 63 ILE HD12 H 1 0.8 0.05 . 1 . . . . . 63 I HD . 15438 1 582 . 1 1 63 63 ILE HD13 H 1 0.8 0.05 . 1 . . . . . 63 I HD . 15438 1 583 . 1 1 63 63 ILE HG21 H 1 0.9 0.05 . 1 . . . . . 63 I HG2 . 15438 1 584 . 1 1 63 63 ILE HG22 H 1 0.9 0.05 . 1 . . . . . 63 I HG2 . 15438 1 585 . 1 1 63 63 ILE HG23 H 1 0.9 0.05 . 1 . . . . . 63 I HG2 . 15438 1 586 . 1 1 63 63 ILE CA C 13 58.82 0.3 . 1 . . . . . 63 I CA . 15438 1 587 . 1 1 63 63 ILE CB C 13 41.63 0.3 . 1 . . . . . 63 I CB . 15438 1 588 . 1 1 63 63 ILE CD1 C 13 14.02 0.3 . 1 . . . . . 63 I CD . 15438 1 589 . 1 1 63 63 ILE CG2 C 13 16.48 0.3 . 1 . . . . . 63 I CG2 . 15438 1 590 . 1 1 63 63 ILE N N 15 121.78 0.1 . 1 . . . . . 63 I N . 15438 1 591 . 1 1 64 64 SER H H 1 8.83 0.05 . 1 . . . . . 64 S NH . 15438 1 592 . 1 1 64 64 SER HA H 1 4.35 0.05 . 1 . . . . . 64 S HA . 15438 1 593 . 1 1 64 64 SER HB2 H 1 3.24 0.05 . 1 . . . . . 64 S HB . 15438 1 594 . 1 1 64 64 SER HB3 H 1 3.24 0.05 . 1 . . . . . 64 S HB . 15438 1 595 . 1 1 64 64 SER CA C 13 57.85 0.3 . 1 . . . . . 64 S CA . 15438 1 596 . 1 1 64 64 SER CB C 13 62.73 0.3 . 1 . . . . . 64 S CB . 15438 1 597 . 1 1 64 64 SER N N 15 123.65 0.1 . 1 . . . . . 64 S N . 15438 1 598 . 1 1 65 65 ALA H H 1 8.68 0.05 . 1 . . . . . 65 A NH . 15438 1 599 . 1 1 65 65 ALA HA H 1 3.95 0.05 . 1 . . . . . 65 A HA . 15438 1 600 . 1 1 65 65 ALA HB1 H 1 1.22 0.05 . 1 . . . . . 65 A HB . 15438 1 601 . 1 1 65 65 ALA HB2 H 1 1.22 0.05 . 1 . . . . . 65 A HB . 15438 1 602 . 1 1 65 65 ALA HB3 H 1 1.22 0.05 . 1 . . . . . 65 A HB . 15438 1 603 . 1 1 65 65 ALA CA C 13 55.32 0.3 . 1 . . . . . 65 A CA . 15438 1 604 . 1 1 65 65 ALA CB C 13 17.81 0.3 . 1 . . . . . 65 A CB . 15438 1 605 . 1 1 65 65 ALA N N 15 130.28 0.1 . 1 . . . . . 65 A N . 15438 1 606 . 1 1 66 66 ALA H H 1 8.35 0.05 . 1 . . . . . 66 A NH . 15438 1 607 . 1 1 66 66 ALA HA H 1 4.05 0.05 . 1 . . . . . 66 A HA . 15438 1 608 . 1 1 66 66 ALA HB1 H 1 1.25 0.05 . 1 . . . . . 66 A HB . 15438 1 609 . 1 1 66 66 ALA HB2 H 1 1.25 0.05 . 1 . . . . . 66 A HB . 15438 1 610 . 1 1 66 66 ALA HB3 H 1 1.25 0.05 . 1 . . . . . 66 A HB . 15438 1 611 . 1 1 66 66 ALA CA C 13 54.72 0.3 . 1 . . . . . 66 A CA . 15438 1 612 . 1 1 66 66 ALA CB C 13 17.81 0.3 . 1 . . . . . 66 A CB . 15438 1 613 . 1 1 66 66 ALA N N 15 120.37 0.1 . 1 . . . . . 66 A N . 15438 1 614 . 1 1 67 67 HIS H H 1 7.47 0.05 . 1 . . . . . 67 H NH . 15438 1 615 . 1 1 67 67 HIS HA H 1 4.26 0.05 . 1 . . . . . 67 H HA . 15438 1 616 . 1 1 67 67 HIS HB2 H 1 3.09 0.05 . 1 . . . . . 67 H HB . 15438 1 617 . 1 1 67 67 HIS HB3 H 1 3.09 0.05 . 1 . . . . . 67 H HB . 15438 1 618 . 1 1 67 67 HIS CA C 13 57.06 0.3 . 1 . . . . . 67 H CA . 15438 1 619 . 1 1 67 67 HIS CB C 13 31.28 0.3 . 1 . . . . . 67 H CB . 15438 1 620 . 1 1 67 67 HIS N N 15 117.21 0.1 . 1 . . . . . 67 H N . 15438 1 621 . 1 1 68 68 LEU H H 1 8 0.05 . 1 . . . . . 68 L NH . 15438 1 622 . 1 1 68 68 LEU HA H 1 3.93 0.05 . 1 . . . . . 68 L HA . 15438 1 623 . 1 1 68 68 LEU HB2 H 1 1.59 0.05 . 1 . . . . . 68 L HB . 15438 1 624 . 1 1 68 68 LEU HB3 H 1 1.59 0.05 . 1 . . . . . 68 L HB . 15438 1 625 . 1 1 68 68 LEU HD11 H 1 0.8 0.05 . 1 . . . . . 68 L HD1 . 15438 1 626 . 1 1 68 68 LEU HD12 H 1 0.8 0.05 . 1 . . . . . 68 L HD1 . 15438 1 627 . 1 1 68 68 LEU HD13 H 1 0.8 0.05 . 1 . . . . . 68 L HD1 . 15438 1 628 . 1 1 68 68 LEU HD21 H 1 0.75 0.05 . 1 . . . . . 68 L HD2 . 15438 1 629 . 1 1 68 68 LEU HD22 H 1 0.75 0.05 . 1 . . . . . 68 L HD2 . 15438 1 630 . 1 1 68 68 LEU HD23 H 1 0.75 0.05 . 1 . . . . . 68 L HD2 . 15438 1 631 . 1 1 68 68 LEU HG H 1 1.19 0.05 . 1 . . . . . 68 L HG . 15438 1 632 . 1 1 68 68 LEU CA C 13 57.85 0.3 . 1 . . . . . 68 L CA . 15438 1 633 . 1 1 68 68 LEU CB C 13 40.66 0.3 . 1 . . . . . 68 L CB . 15438 1 634 . 1 1 68 68 LEU CD1 C 13 23.88 0.3 . 1 . . . . . 68 L CD1 . 15438 1 635 . 1 1 68 68 LEU CD2 C 13 24.57 0.3 . 1 . . . . . 68 L CD2 . 15438 1 636 . 1 1 68 68 LEU CG C 13 28.67 0.3 . 1 . . . . . 68 L CG . 15438 1 637 . 1 1 68 68 LEU N N 15 119.02 0.1 . 1 . . . . . 68 L N . 15438 1 638 . 1 1 69 69 LYS H H 1 8.25 0.05 . 1 . . . . . 69 K NH . 15438 1 639 . 1 1 69 69 LYS HA H 1 3.85 0.05 . 1 . . . . . 69 K HA . 15438 1 640 . 1 1 69 69 LYS HB2 H 1 1.94 0.05 . 1 . . . . . 69 K HB . 15438 1 641 . 1 1 69 69 LYS HB3 H 1 1.94 0.05 . 1 . . . . . 69 K HB . 15438 1 642 . 1 1 69 69 LYS HD2 H 1 1.71 0.05 . 1 . . . . . 69 K HD . 15438 1 643 . 1 1 69 69 LYS HD3 H 1 1.71 0.05 . 1 . . . . . 69 K HD . 15438 1 644 . 1 1 69 69 LYS HE2 H 1 3 0.05 . 1 . . . . . 69 K HE . 15438 1 645 . 1 1 69 69 LYS HE3 H 1 3 0.05 . 1 . . . . . 69 K HE . 15438 1 646 . 1 1 69 69 LYS HG2 H 1 1.56 0.05 . 1 . . . . . 69 K HG . 15438 1 647 . 1 1 69 69 LYS HG3 H 1 1.56 0.05 . 1 . . . . . 69 K HG . 15438 1 648 . 1 1 69 69 LYS CA C 13 59.99 0.3 . 1 . . . . . 69 K CA . 15438 1 649 . 1 1 69 69 LYS CB C 13 32.26 0.3 . 1 . . . . . 69 K CB . 15438 1 650 . 1 1 69 69 LYS CD C 13 29.02 0.3 . 1 . . . . . 69 K CD . 15438 1 651 . 1 1 69 69 LYS CE C 13 41.67 0.3 . 1 . . . . . 69 K CE . 15438 1 652 . 1 1 69 69 LYS CG C 13 25.39 0.3 . 1 . . . . . 69 K CG . 15438 1 653 . 1 1 69 69 LYS N N 15 119.9 0.1 . 1 . . . . . 69 K N . 15438 1 654 . 1 1 70 70 ILE H H 1 7.13 0.05 . 1 . . . . . 70 I NH . 15438 1 655 . 1 1 70 70 ILE HA H 1 3.74 0.05 . 1 . . . . . 70 I HA . 15438 1 656 . 1 1 70 70 ILE HB H 1 1.92 0.05 . 1 . . . . . 70 I HB . 15438 1 657 . 1 1 70 70 ILE HG12 H 1 1.28 0.05 . 1 . . . . . 70 I HG1 . 15438 1 658 . 1 1 70 70 ILE HG13 H 1 1.28 0.05 . 1 . . . . . 70 I HG1 . 15438 1 659 . 1 1 70 70 ILE HG21 H 1 0.81 0.05 . 1 . . . . . 70 I HG2 . 15438 1 660 . 1 1 70 70 ILE HG22 H 1 0.81 0.05 . 1 . . . . . 70 I HG2 . 15438 1 661 . 1 1 70 70 ILE HG23 H 1 0.81 0.05 . 1 . . . . . 70 I HG2 . 15438 1 662 . 1 1 70 70 ILE CA C 13 64.68 0.3 . 1 . . . . . 70 I CA . 15438 1 663 . 1 1 70 70 ILE CB C 13 38.12 0.3 . 1 . . . . . 70 I CB . 15438 1 664 . 1 1 70 70 ILE CG1 C 13 18.81 0.3 . 1 . . . . . 70 I CG1 . 15438 1 665 . 1 1 70 70 ILE CG2 C 13 13 0.3 . 1 . . . . . 70 I CG2 . 15438 1 666 . 1 1 70 70 ILE N N 15 118.91 0.1 . 1 . . . . . 70 I N . 15438 1 667 . 1 1 71 71 ILE H H 1 8.14 0.05 . 1 . . . . . 71 I NH . 15438 1 668 . 1 1 71 71 ILE HA H 1 3.34 0.05 . 1 . . . . . 71 I HA . 15438 1 669 . 1 1 71 71 ILE HB H 1 1.72 0.05 . 1 . . . . . 71 I HB . 15438 1 670 . 1 1 71 71 ILE HD11 H 1 0.6 0.05 . 1 . . . . . 71 I HD . 15438 1 671 . 1 1 71 71 ILE HD12 H 1 0.6 0.05 . 1 . . . . . 71 I HD . 15438 1 672 . 1 1 71 71 ILE HD13 H 1 0.6 0.05 . 1 . . . . . 71 I HD . 15438 1 673 . 1 1 71 71 ILE HG21 H 1 0.8 0.05 . 1 . . . . . 71 I HG2 . 15438 1 674 . 1 1 71 71 ILE HG22 H 1 0.8 0.05 . 1 . . . . . 71 I HG2 . 15438 1 675 . 1 1 71 71 ILE HG23 H 1 0.8 0.05 . 1 . . . . . 71 I HG2 . 15438 1 676 . 1 1 71 71 ILE CA C 13 65.85 0.3 . 1 . . . . . 71 I CA . 15438 1 677 . 1 1 71 71 ILE CB C 13 38.31 0.3 . 1 . . . . . 71 I CB . 15438 1 678 . 1 1 71 71 ILE CD1 C 13 13.79 0.3 . 1 . . . . . 71 I CD . 15438 1 679 . 1 1 71 71 ILE CG2 C 13 17.72 0.3 . 1 . . . . . 71 I CG2 . 15438 1 680 . 1 1 71 71 ILE N N 15 121.72 0.1 . 1 . . . . . 71 I N . 15438 1 681 . 1 1 72 72 ALA H H 1 8.89 0.05 . 1 . . . . . 72 A NH . 15438 1 682 . 1 1 72 72 ALA HA H 1 3.95 0.05 . 1 . . . . . 72 A HA . 15438 1 683 . 1 1 72 72 ALA HB1 H 1 1.25 0.05 . 1 . . . . . 72 A HB . 15438 1 684 . 1 1 72 72 ALA HB2 H 1 1.25 0.05 . 1 . . . . . 72 A HB . 15438 1 685 . 1 1 72 72 ALA HB3 H 1 1.25 0.05 . 1 . . . . . 72 A HB . 15438 1 686 . 1 1 72 72 ALA CA C 13 54.53 0.3 . 1 . . . . . 72 A CA . 15438 1 687 . 1 1 72 72 ALA CB C 13 17.61 0.3 . 1 . . . . . 72 A CB . 15438 1 688 . 1 1 72 72 ALA N N 15 122.36 0.1 . 1 . . . . . 72 A N . 15438 1 689 . 1 1 73 73 LYS H H 1 7.24 0.05 . 1 . . . . . 73 K NH . 15438 1 690 . 1 1 73 73 LYS HA H 1 4.25 0.05 . 1 . . . . . 73 K HA . 15438 1 691 . 1 1 73 73 LYS HB2 H 1 1.75 0.05 . 1 . . . . . 73 K HB . 15438 1 692 . 1 1 73 73 LYS HB3 H 1 1.75 0.05 . 1 . . . . . 73 K HB . 15438 1 693 . 1 1 73 73 LYS HD2 H 1 1.71 0.05 . 1 . . . . . 73 K HD . 15438 1 694 . 1 1 73 73 LYS HD3 H 1 1.71 0.05 . 1 . . . . . 73 K HD . 15438 1 695 . 1 1 73 73 LYS HE2 H 1 2.94 0.05 . 1 . . . . . 73 K HE . 15438 1 696 . 1 1 73 73 LYS HE3 H 1 2.94 0.05 . 1 . . . . . 73 K HE . 15438 1 697 . 1 1 73 73 LYS HG2 H 1 1.4 0.05 . 1 . . . . . 73 K HG . 15438 1 698 . 1 1 73 73 LYS HG3 H 1 1.4 0.05 . 1 . . . . . 73 K HG . 15438 1 699 . 1 1 73 73 LYS CA C 13 57.62 0.3 . 1 . . . . . 73 K CA . 15438 1 700 . 1 1 73 73 LYS CB C 13 32.84 0.3 . 1 . . . . . 73 K CB . 15438 1 701 . 1 1 73 73 LYS CD C 13 28.2 0.3 . 1 . . . . . 73 K CD . 15438 1 702 . 1 1 73 73 LYS CE C 13 41.68 0.3 . 1 . . . . . 73 K CE . 15438 1 703 . 1 1 73 73 LYS CG C 13 24.08 0.3 . 1 . . . . . 73 K CG . 15438 1 704 . 1 1 73 73 LYS N N 15 114.81 0.1 . 1 . . . . . 73 K N . 15438 1 705 . 1 1 74 74 ASN H H 1 7.41 0.05 . 1 . . . . . 74 N NH . 15438 1 706 . 1 1 74 74 ASN HA H 1 4.96 0.05 . 1 . . . . . 74 N HA . 15438 1 707 . 1 1 74 74 ASN HB2 H 1 2.25 0.05 . 1 . . . . . 74 N HB . 15438 1 708 . 1 1 74 74 ASN HB3 H 1 2.25 0.05 . 1 . . . . . 74 N HB . 15438 1 709 . 1 1 74 74 ASN CA C 13 55 0.3 . 1 . . . . . 74 N CA . 15438 1 710 . 1 1 74 74 ASN CB C 13 42.61 0.3 . 1 . . . . . 74 N CB . 15438 1 711 . 1 1 74 74 ASN N N 15 113.46 0.1 . 1 . . . . . 74 N N . 15438 1 712 . 1 1 75 75 LEU H H 1 8.5 0.05 . 1 . . . . . 75 L NH . 15438 1 713 . 1 1 75 75 LEU HA H 1 4.66 0.05 . 1 . . . . . 75 L HA . 15438 1 714 . 1 1 75 75 LEU HB2 H 1 1.51 0.05 . 1 . . . . . 75 L HB . 15438 1 715 . 1 1 75 75 LEU HB3 H 1 1.51 0.05 . 1 . . . . . 75 L HB . 15438 1 716 . 1 1 75 75 LEU HD11 H 1 0.8 0.05 . 1 . . . . . 75 L HD . 15438 1 717 . 1 1 75 75 LEU HD12 H 1 0.8 0.05 . 1 . . . . . 75 L HD . 15438 1 718 . 1 1 75 75 LEU HD13 H 1 0.8 0.05 . 1 . . . . . 75 L HD . 15438 1 719 . 1 1 75 75 LEU HD21 H 1 0.8 0.05 . 1 . . . . . 75 L HD . 15438 1 720 . 1 1 75 75 LEU HD22 H 1 0.8 0.05 . 1 . . . . . 75 L HD . 15438 1 721 . 1 1 75 75 LEU HD23 H 1 0.8 0.05 . 1 . . . . . 75 L HD . 15438 1 722 . 1 1 75 75 LEU HG H 1 1.37 0.05 . 1 . . . . . 75 L HG . 15438 1 723 . 1 1 75 75 LEU CA C 13 54.63 0.3 . 1 . . . . . 75 L CA . 15438 1 724 . 1 1 75 75 LEU CB C 13 44.56 0.3 . 1 . . . . . 75 L CB . 15438 1 725 . 1 1 75 75 LEU CD1 C 13 23.5 0.3 . 1 . . . . . 75 L CD . 15438 1 726 . 1 1 75 75 LEU CD2 C 13 23.5 0.3 . 1 . . . . . 75 L CD . 15438 1 727 . 1 1 75 75 LEU CG C 13 26.68 0.3 . 1 . . . . . 75 L CG . 15438 1 728 . 1 1 75 75 LEU N N 15 118.15 0.1 . 1 . . . . . 75 L N . 15438 1 729 . 1 1 76 76 LEU H H 1 6.87 0.05 . 1 . . . . . 76 L NH . 15438 1 730 . 1 1 76 76 LEU HA H 1 4.2 0.05 . 1 . . . . . 76 L HA . 15438 1 731 . 1 1 76 76 LEU HB2 H 1 1.71 0.05 . 1 . . . . . 76 L HB . 15438 1 732 . 1 1 76 76 LEU HB3 H 1 1.71 0.05 . 1 . . . . . 76 L HB . 15438 1 733 . 1 1 76 76 LEU HD11 H 1 0.8 0.05 . 1 . . . . . 76 L HD . 15438 1 734 . 1 1 76 76 LEU HD12 H 1 0.8 0.05 . 1 . . . . . 76 L HD . 15438 1 735 . 1 1 76 76 LEU HD13 H 1 0.8 0.05 . 1 . . . . . 76 L HD . 15438 1 736 . 1 1 76 76 LEU HD21 H 1 0.8 0.05 . 1 . . . . . 76 L HD . 15438 1 737 . 1 1 76 76 LEU HD22 H 1 0.8 0.05 . 1 . . . . . 76 L HD . 15438 1 738 . 1 1 76 76 LEU HD23 H 1 0.8 0.05 . 1 . . . . . 76 L HD . 15438 1 739 . 1 1 76 76 LEU HG H 1 1.51 0.05 . 1 . . . . . 76 L HG . 15438 1 740 . 1 1 76 76 LEU CA C 13 55.75 0.3 . 1 . . . . . 76 L CA . 15438 1 741 . 1 1 76 76 LEU CB C 13 42.61 0.3 . 1 . . . . . 76 L CB . 15438 1 742 . 1 1 76 76 LEU CD1 C 13 23.5 0.3 . 1 . . . . . 76 L CD . 15438 1 743 . 1 1 76 76 LEU CD2 C 13 23.5 0.3 . 1 . . . . . 76 L CD . 15438 1 744 . 1 1 76 76 LEU CG C 13 26.88 0.3 . 1 . . . . . 76 L CG . 15438 1 745 . 1 1 76 76 LEU N N 15 123.36 0.1 . 1 . . . . . 76 L N . 15438 1 stop_ save_