data_25970 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25970 _Entry.Title ; NMR structure of the Acidic domain of SYNCRIP (24-140) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-02 _Entry.Accession_date 2016-02-02 _Entry.Last_release_date 2016-05-31 _Entry.Original_release_date 2016-05-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Pedro Serrano . . . . 25970 2 Kurt Wuthrich . . . . 25970 3 Christine Beuck . . . . 25970 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 25970 2 PSI:Biology 'Partnership for T-Cell Biology' . 25970 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Acidic domain' . 25970 SYNCRIP . 25970 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25970 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 478 25970 '15N chemical shifts' 127 25970 '1H chemical shifts' 777 25970 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 . . 2016-05-31 . original BMRB . 25970 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NBB 'BMRB Entry Tracking System' 25970 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25970 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27081926 _Citation.Full_citation . _Citation.Title ; The acidic domain is a unique structural feature of the splicing factor SYNCRIP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 8 _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 1545 _Citation.Page_last 1550 _Citation.Year 2016 _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 Christine Beuck . . . . 25970 1 2 James Williamson . R. . . 25970 1 3 Kurt Wuthrich . . . . 25970 1 4 Pedro Serrano . . . . 25970 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25970 _Assembly.ID 1 _Assembly.Name 'Acidic domain of SYNCRIP (24-140)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25970 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25970 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSENFQTLLDAGLPQKVAEK LDEIYVAGLVAHSDLDERAI EALKEFNEDGALAVLQQFKD SDLSHVQNKSAFLCGVMKTY RQREKQGTKVADSSKGPDEA KIKALLERTGYTLDVTTG ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12932.589 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25970 1 2 . SER . 25970 1 3 . GLU . 25970 1 4 . ASN . 25970 1 5 . PHE . 25970 1 6 . GLN . 25970 1 7 . THR . 25970 1 8 . LEU . 25970 1 9 . LEU . 25970 1 10 . ASP . 25970 1 11 . ALA . 25970 1 12 . GLY . 25970 1 13 . LEU . 25970 1 14 . PRO . 25970 1 15 . GLN . 25970 1 16 . LYS . 25970 1 17 . VAL . 25970 1 18 . ALA . 25970 1 19 . GLU . 25970 1 20 . LYS . 25970 1 21 . LEU . 25970 1 22 . ASP . 25970 1 23 . GLU . 25970 1 24 . ILE . 25970 1 25 . TYR . 25970 1 26 . VAL . 25970 1 27 . ALA . 25970 1 28 . GLY . 25970 1 29 . LEU . 25970 1 30 . VAL . 25970 1 31 . ALA . 25970 1 32 . HIS . 25970 1 33 . SER . 25970 1 34 . ASP . 25970 1 35 . LEU . 25970 1 36 . ASP . 25970 1 37 . GLU . 25970 1 38 . ARG . 25970 1 39 . ALA . 25970 1 40 . ILE . 25970 1 41 . GLU . 25970 1 42 . ALA . 25970 1 43 . LEU . 25970 1 44 . LYS . 25970 1 45 . GLU . 25970 1 46 . PHE . 25970 1 47 . ASN . 25970 1 48 . GLU . 25970 1 49 . ASP . 25970 1 50 . GLY . 25970 1 51 . ALA . 25970 1 52 . LEU . 25970 1 53 . ALA . 25970 1 54 . VAL . 25970 1 55 . LEU . 25970 1 56 . GLN . 25970 1 57 . GLN . 25970 1 58 . PHE . 25970 1 59 . LYS . 25970 1 60 . ASP . 25970 1 61 . SER . 25970 1 62 . ASP . 25970 1 63 . LEU . 25970 1 64 . SER . 25970 1 65 . HIS . 25970 1 66 . VAL . 25970 1 67 . GLN . 25970 1 68 . ASN . 25970 1 69 . LYS . 25970 1 70 . SER . 25970 1 71 . ALA . 25970 1 72 . PHE . 25970 1 73 . LEU . 25970 1 74 . CYS . 25970 1 75 . GLY . 25970 1 76 . VAL . 25970 1 77 . MET . 25970 1 78 . LYS . 25970 1 79 . THR . 25970 1 80 . TYR . 25970 1 81 . ARG . 25970 1 82 . GLN . 25970 1 83 . ARG . 25970 1 84 . GLU . 25970 1 85 . LYS . 25970 1 86 . GLN . 25970 1 87 . GLY . 25970 1 88 . THR . 25970 1 89 . LYS . 25970 1 90 . VAL . 25970 1 91 . ALA . 25970 1 92 . ASP . 25970 1 93 . SER . 25970 1 94 . SER . 25970 1 95 . LYS . 25970 1 96 . GLY . 25970 1 97 . PRO . 25970 1 98 . ASP . 25970 1 99 . GLU . 25970 1 100 . ALA . 25970 1 101 . LYS . 25970 1 102 . ILE . 25970 1 103 . LYS . 25970 1 104 . ALA . 25970 1 105 . LEU . 25970 1 106 . LEU . 25970 1 107 . GLU . 25970 1 108 . ARG . 25970 1 109 . THR . 25970 1 110 . GLY . 25970 1 111 . TYR . 25970 1 112 . THR . 25970 1 113 . LEU . 25970 1 114 . ASP . 25970 1 115 . VAL . 25970 1 116 . THR . 25970 1 117 . THR . 25970 1 118 . GLY . 25970 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25970 1 . SER 2 2 25970 1 . GLU 3 3 25970 1 . ASN 4 4 25970 1 . PHE 5 5 25970 1 . GLN 6 6 25970 1 . THR 7 7 25970 1 . LEU 8 8 25970 1 . LEU 9 9 25970 1 . ASP 10 10 25970 1 . ALA 11 11 25970 1 . GLY 12 12 25970 1 . LEU 13 13 25970 1 . PRO 14 14 25970 1 . GLN 15 15 25970 1 . LYS 16 16 25970 1 . VAL 17 17 25970 1 . ALA 18 18 25970 1 . GLU 19 19 25970 1 . LYS 20 20 25970 1 . LEU 21 21 25970 1 . ASP 22 22 25970 1 . GLU 23 23 25970 1 . ILE 24 24 25970 1 . TYR 25 25 25970 1 . VAL 26 26 25970 1 . ALA 27 27 25970 1 . GLY 28 28 25970 1 . LEU 29 29 25970 1 . VAL 30 30 25970 1 . ALA 31 31 25970 1 . HIS 32 32 25970 1 . SER 33 33 25970 1 . ASP 34 34 25970 1 . LEU 35 35 25970 1 . ASP 36 36 25970 1 . GLU 37 37 25970 1 . ARG 38 38 25970 1 . ALA 39 39 25970 1 . ILE 40 40 25970 1 . GLU 41 41 25970 1 . ALA 42 42 25970 1 . LEU 43 43 25970 1 . LYS 44 44 25970 1 . GLU 45 45 25970 1 . PHE 46 46 25970 1 . ASN 47 47 25970 1 . GLU 48 48 25970 1 . ASP 49 49 25970 1 . GLY 50 50 25970 1 . ALA 51 51 25970 1 . LEU 52 52 25970 1 . ALA 53 53 25970 1 . VAL 54 54 25970 1 . LEU 55 55 25970 1 . GLN 56 56 25970 1 . GLN 57 57 25970 1 . PHE 58 58 25970 1 . LYS 59 59 25970 1 . ASP 60 60 25970 1 . SER 61 61 25970 1 . ASP 62 62 25970 1 . LEU 63 63 25970 1 . SER 64 64 25970 1 . HIS 65 65 25970 1 . VAL 66 66 25970 1 . GLN 67 67 25970 1 . ASN 68 68 25970 1 . LYS 69 69 25970 1 . SER 70 70 25970 1 . ALA 71 71 25970 1 . PHE 72 72 25970 1 . LEU 73 73 25970 1 . CYS 74 74 25970 1 . GLY 75 75 25970 1 . VAL 76 76 25970 1 . MET 77 77 25970 1 . LYS 78 78 25970 1 . THR 79 79 25970 1 . TYR 80 80 25970 1 . ARG 81 81 25970 1 . GLN 82 82 25970 1 . ARG 83 83 25970 1 . GLU 84 84 25970 1 . LYS 85 85 25970 1 . GLN 86 86 25970 1 . GLY 87 87 25970 1 . THR 88 88 25970 1 . LYS 89 89 25970 1 . VAL 90 90 25970 1 . ALA 91 91 25970 1 . ASP 92 92 25970 1 . SER 93 93 25970 1 . SER 94 94 25970 1 . LYS 95 95 25970 1 . GLY 96 96 25970 1 . PRO 97 97 25970 1 . ASP 98 98 25970 1 . GLU 99 99 25970 1 . ALA 100 100 25970 1 . LYS 101 101 25970 1 . ILE 102 102 25970 1 . LYS 103 103 25970 1 . ALA 104 104 25970 1 . LEU 105 105 25970 1 . LEU 106 106 25970 1 . GLU 107 107 25970 1 . ARG 108 108 25970 1 . THR 109 109 25970 1 . GLY 110 110 25970 1 . TYR 111 111 25970 1 . THR 112 112 25970 1 . LEU 113 113 25970 1 . ASP 114 114 25970 1 . VAL 115 115 25970 1 . THR 116 116 25970 1 . THR 117 117 25970 1 . GLY 118 118 25970 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 25970 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25970 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 25970 _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 . . . . . . pET28b . . . 25970 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25970 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25970 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25970 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25970 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25970 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 25970 _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' 0.0798 . M 25970 1 pH 6.0 . pH 25970 1 pressure 1 . atm 25970 1 temperature 298 . K 25970 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 25970 _Software.ID 1 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G??ntert P.' . . 25970 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25970 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_mbavance601 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode mbavance601 _NMR_spectrometer.Entry_ID 25970 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_mbavance801 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode mbavance801 _NMR_spectrometer.Entry_ID 25970 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 25970 _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 mbavance601 Bruker Avance . 600 . . . 25970 1 2 mbavance801 Bruker Avance . 800 . . . 25970 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 25970 _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 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 25970 1 2 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 25970 1 3 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 25970 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 25970 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 25970 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 25970 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 25970 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 25970 _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 . . . . . 25970 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25970 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25970 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 25970 _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 0.008 _Assigned_chem_shift_list.Chem_shift_13C_err 0.19 _Assigned_chem_shift_list.Chem_shift_15N_err 0.14 _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 'APSY 4D-HACANH' . . . 25970 1 2 'APSY 5D-HACACONH' . . . 25970 1 3 'APSY 5D-CBCACONH' . . . 25970 1 5 '3D 1H-15N NOESY' . . . 25970 1 6 '3D 1H-13C NOESY aliphatic' . . . 25970 1 7 '3D 1H-13C NOESY aromatic' . . . 25970 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $DYANA . . 25970 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.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 GLY HA2 H 1 3.712 0.008 . . . . . . 1 GLY HA2 . 25970 1 2 . 1 1 1 1 GLY HA3 H 1 3.537 0.008 . . . . . . 1 GLY HA3 . 25970 1 3 . 1 1 1 1 GLY C C 13 167.632 0.19 . . . . . . 1 GLY C . 25970 1 4 . 1 1 1 1 GLY CA C 13 40.618 0.19 . . . . . . 1 GLY CA . 25970 1 5 . 1 1 2 2 SER H H 1 9.734 0.008 . . . . . . 2 SER H . 25970 1 6 . 1 1 2 2 SER HA H 1 4.503 0.008 . . . . . . 2 SER HA . 25970 1 7 . 1 1 2 2 SER HB2 H 1 4.104 0.008 . . . . . . 2 SER HB2 . 25970 1 8 . 1 1 2 2 SER HB3 H 1 3.922 0.008 . . . . . . 2 SER HB3 . 25970 1 9 . 1 1 2 2 SER C C 13 172.832 0.19 . . . . . . 2 SER C . 25970 1 10 . 1 1 2 2 SER CA C 13 55.860 0.19 . . . . . . 2 SER CA . 25970 1 11 . 1 1 2 2 SER CB C 13 61.614 0.19 . . . . . . 2 SER CB . 25970 1 12 . 1 1 2 2 SER N N 15 118.913 0.14 . . . . . . 2 SER N . 25970 1 13 . 1 1 3 3 GLU H H 1 9.164 0.008 . . . . . . 3 GLU H . 25970 1 14 . 1 1 3 3 GLU HA H 1 4.165 0.008 . . . . . . 3 GLU HA . 25970 1 15 . 1 1 3 3 GLU HB2 H 1 1.952 0.008 . . . . . . 3 GLU QB . 25970 1 16 . 1 1 3 3 GLU HB3 H 1 1.952 0.008 . . . . . . 3 GLU QB . 25970 1 17 . 1 1 3 3 GLU HG2 H 1 2.200 0.008 . . . . . . 3 GLU QG . 25970 1 18 . 1 1 3 3 GLU HG3 H 1 2.200 0.008 . . . . . . 3 GLU QG . 25970 1 19 . 1 1 3 3 GLU C C 13 174.388 0.19 . . . . . . 3 GLU C . 25970 1 20 . 1 1 3 3 GLU CA C 13 55.637 0.19 . . . . . . 3 GLU CA . 25970 1 21 . 1 1 3 3 GLU CB C 13 26.425 0.19 . . . . . . 3 GLU CB . 25970 1 22 . 1 1 3 3 GLU CG C 13 33.108 0.19 . . . . . . 3 GLU CG . 25970 1 23 . 1 1 3 3 GLU N N 15 121.433 0.14 . . . . . . 3 GLU N . 25970 1 24 . 1 1 4 4 ASN H H 1 8.445 0.008 . . . . . . 4 ASN H . 25970 1 25 . 1 1 4 4 ASN HA H 1 4.527 0.008 . . . . . . 4 ASN HA . 25970 1 26 . 1 1 4 4 ASN HB2 H 1 2.443 0.008 . . . . . . 4 ASN QB . 25970 1 27 . 1 1 4 4 ASN HB3 H 1 2.443 0.008 . . . . . . 4 ASN QB . 25970 1 28 . 1 1 4 4 ASN HD21 H 1 6.593 0.008 . . . . . . 4 ASN HD21 . 25970 1 29 . 1 1 4 4 ASN HD22 H 1 7.606 0.008 . . . . . . 4 ASN HD22 . 25970 1 30 . 1 1 4 4 ASN C C 13 172.788 0.19 . . . . . . 4 ASN C . 25970 1 31 . 1 1 4 4 ASN CA C 13 51.560 0.19 . . . . . . 4 ASN CA . 25970 1 32 . 1 1 4 4 ASN CB C 13 36.756 0.19 . . . . . . 4 ASN CB . 25970 1 33 . 1 1 4 4 ASN N N 15 117.480 0.14 . . . . . . 4 ASN N . 25970 1 34 . 1 1 4 4 ASN ND2 N 15 113.828 0.14 . . . . . . 4 ASN ND2 . 25970 1 35 . 1 1 5 5 PHE H H 1 7.840 0.008 . . . . . . 5 PHE H . 25970 1 36 . 1 1 5 5 PHE HA H 1 3.969 0.008 . . . . . . 5 PHE HA . 25970 1 37 . 1 1 5 5 PHE HB2 H 1 2.996 0.008 . . . . . . 5 PHE HB2 . 25970 1 38 . 1 1 5 5 PHE HB3 H 1 3.204 0.008 . . . . . . 5 PHE HB3 . 25970 1 39 . 1 1 5 5 PHE HD1 H 1 7.003 0.008 . . . . . . 5 PHE QD . 25970 1 40 . 1 1 5 5 PHE HD2 H 1 7.003 0.008 . . . . . . 5 PHE QD . 25970 1 41 . 1 1 5 5 PHE HE1 H 1 7.164 0.008 . . . . . . 5 PHE QE . 25970 1 42 . 1 1 5 5 PHE HE2 H 1 7.164 0.008 . . . . . . 5 PHE QE . 25970 1 43 . 1 1 5 5 PHE CA C 13 58.734 0.19 . . . . . . 5 PHE CA . 25970 1 44 . 1 1 5 5 PHE CB C 13 36.339 0.19 . . . . . . 5 PHE CB . 25970 1 45 . 1 1 5 5 PHE CD1 C 13 128.714 0.19 . . . . . . 5 PHE CD1 . 25970 1 46 . 1 1 5 5 PHE CD2 C 13 128.714 0.19 . . . . . . 5 PHE CD2 . 25970 1 47 . 1 1 5 5 PHE CE1 C 13 128.731 0.19 . . . . . . 5 PHE CE1 . 25970 1 48 . 1 1 5 5 PHE CE2 C 13 128.731 0.19 . . . . . . 5 PHE CE2 . 25970 1 49 . 1 1 5 5 PHE N N 15 121.507 0.14 . . . . . . 5 PHE N . 25970 1 50 . 1 1 6 6 GLN H H 1 8.310 0.008 . . . . . . 6 GLN H . 25970 1 51 . 1 1 6 6 GLN HA H 1 3.470 0.008 . . . . . . 6 GLN HA . 25970 1 52 . 1 1 6 6 GLN HB2 H 1 2.090 0.008 . . . . . . 6 GLN HB2 . 25970 1 53 . 1 1 6 6 GLN HB3 H 1 1.950 0.008 . . . . . . 6 GLN HB3 . 25970 1 54 . 1 1 6 6 GLN HG2 H 1 2.280 0.008 . . . . . . 6 GLN QG . 25970 1 55 . 1 1 6 6 GLN HG3 H 1 2.280 0.008 . . . . . . 6 GLN QG . 25970 1 56 . 1 1 6 6 GLN HE21 H 1 6.726 0.008 . . . . . . 6 GLN HE21 . 25970 1 57 . 1 1 6 6 GLN HE22 H 1 7.734 0.008 . . . . . . 6 GLN HE22 . 25970 1 58 . 1 1 6 6 GLN C C 13 174.663 0.19 . . . . . . 6 GLN C . 25970 1 59 . 1 1 6 6 GLN CA C 13 55.303 0.19 . . . . . . 6 GLN CA . 25970 1 60 . 1 1 6 6 GLN CB C 13 25.480 0.19 . . . . . . 6 GLN CB . 25970 1 61 . 1 1 6 6 GLN CG C 13 30.749 0.19 . . . . . . 6 GLN CG . 25970 1 62 . 1 1 6 6 GLN N N 15 117.776 0.14 . . . . . . 6 GLN N . 25970 1 63 . 1 1 6 6 GLN NE2 N 15 115.891 0.14 . . . . . . 6 GLN NE2 . 25970 1 64 . 1 1 7 7 THR H H 1 7.602 0.008 . . . . . . 7 THR H . 25970 1 65 . 1 1 7 7 THR HA H 1 3.851 0.008 . . . . . . 7 THR HA . 25970 1 66 . 1 1 7 7 THR HB H 1 4.091 0.008 . . . . . . 7 THR HB . 25970 1 67 . 1 1 7 7 THR HG21 H 1 1.108 0.008 . . . . . . 7 THR QG2 . 25970 1 68 . 1 1 7 7 THR HG22 H 1 1.108 0.008 . . . . . . 7 THR QG2 . 25970 1 69 . 1 1 7 7 THR HG23 H 1 1.108 0.008 . . . . . . 7 THR QG2 . 25970 1 70 . 1 1 7 7 THR C C 13 173.957 0.19 . . . . . . 7 THR C . 25970 1 71 . 1 1 7 7 THR CA C 13 62.968 0.19 . . . . . . 7 THR CA . 25970 1 72 . 1 1 7 7 THR CB C 13 65.797 0.19 . . . . . . 7 THR CB . 25970 1 73 . 1 1 7 7 THR CG2 C 13 19.252 0.19 . . . . . . 7 THR CG2 . 25970 1 74 . 1 1 7 7 THR N N 15 114.096 0.14 . . . . . . 7 THR N . 25970 1 75 . 1 1 8 8 LEU H H 1 7.476 0.008 . . . . . . 8 LEU H . 25970 1 76 . 1 1 8 8 LEU HA H 1 3.882 0.008 . . . . . . 8 LEU HA . 25970 1 77 . 1 1 8 8 LEU HB2 H 1 1.040 0.008 . . . . . . 8 LEU HB2 . 25970 1 78 . 1 1 8 8 LEU HB3 H 1 1.932 0.008 . . . . . . 8 LEU HB3 . 25970 1 79 . 1 1 8 8 LEU HG H 1 1.803 0.008 . . . . . . 8 LEU HG . 25970 1 80 . 1 1 8 8 LEU HD11 H 1 0.744 0.008 . . . . . . 8 LEU QD1 . 25970 1 81 . 1 1 8 8 LEU HD12 H 1 0.744 0.008 . . . . . . 8 LEU QD1 . 25970 1 82 . 1 1 8 8 LEU HD13 H 1 0.744 0.008 . . . . . . 8 LEU QD1 . 25970 1 83 . 1 1 8 8 LEU HD21 H 1 0.832 0.008 . . . . . . 8 LEU QD2 . 25970 1 84 . 1 1 8 8 LEU HD22 H 1 0.832 0.008 . . . . . . 8 LEU QD2 . 25970 1 85 . 1 1 8 8 LEU HD23 H 1 0.832 0.008 . . . . . . 8 LEU QD2 . 25970 1 86 . 1 1 8 8 LEU C C 13 175.887 0.19 . . . . . . 8 LEU C . 25970 1 87 . 1 1 8 8 LEU CA C 13 54.578 0.19 . . . . . . 8 LEU CA . 25970 1 88 . 1 1 8 8 LEU CB C 13 39.136 0.19 . . . . . . 8 LEU CB . 25970 1 89 . 1 1 8 8 LEU CG C 13 23.495 0.19 . . . . . . 8 LEU CG . 25970 1 90 . 1 1 8 8 LEU CD1 C 13 19.351 0.19 . . . . . . 8 LEU CD1 . 25970 1 91 . 1 1 8 8 LEU CD2 C 13 23.784 0.19 . . . . . . 8 LEU CD2 . 25970 1 92 . 1 1 8 8 LEU N N 15 121.797 0.14 . . . . . . 8 LEU N . 25970 1 93 . 1 1 9 9 LEU H H 1 7.394 0.008 . . . . . . 9 LEU H . 25970 1 94 . 1 1 9 9 LEU HA H 1 3.995 0.008 . . . . . . 9 LEU HA . 25970 1 95 . 1 1 9 9 LEU HB2 H 1 1.532 0.008 . . . . . . 9 LEU HB2 . 25970 1 96 . 1 1 9 9 LEU HB3 H 1 1.240 0.008 . . . . . . 9 LEU HB3 . 25970 1 97 . 1 1 9 9 LEU HG H 1 0.986 0.008 . . . . . . 9 LEU HG . 25970 1 98 . 1 1 9 9 LEU HD11 H 1 0.561 0.008 . . . . . . 9 LEU QD1 . 25970 1 99 . 1 1 9 9 LEU HD12 H 1 0.561 0.008 . . . . . . 9 LEU QD1 . 25970 1 100 . 1 1 9 9 LEU HD13 H 1 0.561 0.008 . . . . . . 9 LEU QD1 . 25970 1 101 . 1 1 9 9 LEU HD21 H 1 0.525 0.008 . . . . . . 9 LEU QD2 . 25970 1 102 . 1 1 9 9 LEU HD22 H 1 0.525 0.008 . . . . . . 9 LEU QD2 . 25970 1 103 . 1 1 9 9 LEU HD23 H 1 0.525 0.008 . . . . . . 9 LEU QD2 . 25970 1 104 . 1 1 9 9 LEU C C 13 179.651 0.19 . . . . . . 9 LEU C . 25970 1 105 . 1 1 9 9 LEU CA C 13 54.274 0.19 . . . . . . 9 LEU CA . 25970 1 106 . 1 1 9 9 LEU CB C 13 38.510 0.19 . . . . . . 9 LEU CB . 25970 1 107 . 1 1 9 9 LEU CG C 13 23.230 0.19 . . . . . . 9 LEU CG . 25970 1 108 . 1 1 9 9 LEU CD1 C 13 22.942 0.19 . . . . . . 9 LEU CD1 . 25970 1 109 . 1 1 9 9 LEU CD2 C 13 19.843 0.19 . . . . . . 9 LEU CD2 . 25970 1 110 . 1 1 9 9 LEU N N 15 119.407 0.14 . . . . . . 9 LEU N . 25970 1 111 . 1 1 10 10 ASP H H 1 8.684 0.008 . . . . . . 10 ASP H . 25970 1 112 . 1 1 10 10 ASP HA H 1 4.220 0.008 . . . . . . 10 ASP HA . 25970 1 113 . 1 1 10 10 ASP HB2 H 1 2.649 0.008 . . . . . . 10 ASP HB2 . 25970 1 114 . 1 1 10 10 ASP HB3 H 1 2.564 0.008 . . . . . . 10 ASP HB3 . 25970 1 115 . 1 1 10 10 ASP C C 13 174.747 0.19 . . . . . . 10 ASP C . 25970 1 116 . 1 1 10 10 ASP CA C 13 53.817 0.19 . . . . . . 10 ASP CA . 25970 1 117 . 1 1 10 10 ASP CB C 13 37.151 0.19 . . . . . . 10 ASP CB . 25970 1 118 . 1 1 10 10 ASP N N 15 121.973 0.14 . . . . . . 10 ASP N . 25970 1 119 . 1 1 11 11 ALA H H 1 7.403 0.008 . . . . . . 11 ALA H . 25970 1 120 . 1 1 11 11 ALA HA H 1 4.200 0.008 . . . . . . 11 ALA HA . 25970 1 121 . 1 1 11 11 ALA HB1 H 1 1.391 0.008 . . . . . . 11 ALA QB . 25970 1 122 . 1 1 11 11 ALA HB2 H 1 1.391 0.008 . . . . . . 11 ALA QB . 25970 1 123 . 1 1 11 11 ALA HB3 H 1 1.391 0.008 . . . . . . 11 ALA QB . 25970 1 124 . 1 1 11 11 ALA C C 13 174.573 0.19 . . . . . . 11 ALA C . 25970 1 125 . 1 1 11 11 ALA CA C 13 49.699 0.19 . . . . . . 11 ALA CA . 25970 1 126 . 1 1 11 11 ALA CB C 13 15.534 0.19 . . . . . . 11 ALA CB . 25970 1 127 . 1 1 11 11 ALA N N 15 121.075 0.14 . . . . . . 11 ALA N . 25970 1 128 . 1 1 12 12 GLY H H 1 7.821 0.008 . . . . . . 12 GLY H . 25970 1 129 . 1 1 12 12 GLY HA2 H 1 4.054 0.008 . . . . . . 12 GLY HA2 . 25970 1 130 . 1 1 12 12 GLY HA3 H 1 3.608 0.008 . . . . . . 12 GLY HA3 . 25970 1 131 . 1 1 12 12 GLY C C 13 172.185 0.19 . . . . . . 12 GLY C . 25970 1 132 . 1 1 12 12 GLY CA C 13 42.236 0.19 . . . . . . 12 GLY CA . 25970 1 133 . 1 1 12 12 GLY N N 15 104.003 0.14 . . . . . . 12 GLY N . 25970 1 134 . 1 1 13 13 LEU H H 1 7.225 0.008 . . . . . . 13 LEU H . 25970 1 135 . 1 1 13 13 LEU HA H 1 4.357 0.008 . . . . . . 13 LEU HA . 25970 1 136 . 1 1 13 13 LEU HB2 H 1 1.349 0.008 . . . . . . 13 LEU HB2 . 25970 1 137 . 1 1 13 13 LEU HB3 H 1 0.977 0.008 . . . . . . 13 LEU HB3 . 25970 1 138 . 1 1 13 13 LEU HG H 1 1.445 0.008 . . . . . . 13 LEU HG . 25970 1 139 . 1 1 13 13 LEU HD11 H 1 0.694 0.008 . . . . . . 13 LEU QD1 . 25970 1 140 . 1 1 13 13 LEU HD12 H 1 0.694 0.008 . . . . . . 13 LEU QD1 . 25970 1 141 . 1 1 13 13 LEU HD13 H 1 0.694 0.008 . . . . . . 13 LEU QD1 . 25970 1 142 . 1 1 13 13 LEU HD21 H 1 0.716 0.008 . . . . . . 13 LEU QD2 . 25970 1 143 . 1 1 13 13 LEU HD22 H 1 0.716 0.008 . . . . . . 13 LEU QD2 . 25970 1 144 . 1 1 13 13 LEU HD23 H 1 0.716 0.008 . . . . . . 13 LEU QD2 . 25970 1 145 . 1 1 13 13 LEU CA C 13 50.098 0.19 . . . . . . 13 LEU CA . 25970 1 146 . 1 1 13 13 LEU CB C 13 38.646 0.19 . . . . . . 13 LEU CB . 25970 1 147 . 1 1 13 13 LEU CG C 13 24.552 0.19 . . . . . . 13 LEU CG . 25970 1 148 . 1 1 13 13 LEU CD1 C 13 21.077 0.19 . . . . . . 13 LEU CD1 . 25970 1 149 . 1 1 13 13 LEU CD2 C 13 23.734 0.19 . . . . . . 13 LEU CD2 . 25970 1 150 . 1 1 13 13 LEU N N 15 120.491 0.14 . . . . . . 13 LEU N . 25970 1 151 . 1 1 14 14 PRO HA H 1 4.344 0.008 . . . . . . 14 PRO HA . 25970 1 152 . 1 1 14 14 PRO HB2 H 1 2.493 0.008 . . . . . . 14 PRO HB2 . 25970 1 153 . 1 1 14 14 PRO HB3 H 1 1.722 0.008 . . . . . . 14 PRO HB3 . 25970 1 154 . 1 1 14 14 PRO HG2 H 1 2.096 0.008 . . . . . . 14 PRO HG2 . 25970 1 155 . 1 1 14 14 PRO HG3 H 1 1.961 0.008 . . . . . . 14 PRO HG3 . 25970 1 156 . 1 1 14 14 PRO HD2 H 1 3.254 0.008 . . . . . . 14 PRO HD2 . 25970 1 157 . 1 1 14 14 PRO HD3 H 1 3.984 0.008 . . . . . . 14 PRO HD3 . 25970 1 158 . 1 1 14 14 PRO C C 13 174.614 0.19 . . . . . . 14 PRO C . 25970 1 159 . 1 1 14 14 PRO CA C 13 59.553 0.19 . . . . . . 14 PRO CA . 25970 1 160 . 1 1 14 14 PRO CB C 13 29.886 0.19 . . . . . . 14 PRO CB . 25970 1 161 . 1 1 14 14 PRO CG C 13 25.421 0.19 . . . . . . 14 PRO CG . 25970 1 162 . 1 1 14 14 PRO CD C 13 47.704 0.19 . . . . . . 14 PRO CD . 25970 1 163 . 1 1 15 15 GLN H H 1 8.826 0.008 . . . . . . 15 GLN H . 25970 1 164 . 1 1 15 15 GLN HA H 1 3.682 0.008 . . . . . . 15 GLN HA . 25970 1 165 . 1 1 15 15 GLN HB2 H 1 2.221 0.008 . . . . . . 15 GLN HB2 . 25970 1 166 . 1 1 15 15 GLN HB3 H 1 1.915 0.008 . . . . . . 15 GLN HB3 . 25970 1 167 . 1 1 15 15 GLN HG2 H 1 2.346 0.008 . . . . . . 15 GLN HG2 . 25970 1 168 . 1 1 15 15 GLN HG3 H 1 2.296 0.008 . . . . . . 15 GLN HG3 . 25970 1 169 . 1 1 15 15 GLN HE21 H 1 6.691 0.008 . . . . . . 15 GLN HE21 . 25970 1 170 . 1 1 15 15 GLN HE22 H 1 7.863 0.008 . . . . . . 15 GLN HE22 . 25970 1 171 . 1 1 15 15 GLN C C 13 174.841 0.19 . . . . . . 15 GLN C . 25970 1 172 . 1 1 15 15 GLN CA C 13 57.819 0.19 . . . . . . 15 GLN CA . 25970 1 173 . 1 1 15 15 GLN CB C 13 25.477 0.19 . . . . . . 15 GLN CB . 25970 1 174 . 1 1 15 15 GLN CG C 13 30.003 0.19 . . . . . . 15 GLN CG . 25970 1 175 . 1 1 15 15 GLN N N 15 124.333 0.14 . . . . . . 15 GLN N . 25970 1 176 . 1 1 15 15 GLN NE2 N 15 111.751 0.14 . . . . . . 15 GLN NE2 . 25970 1 177 . 1 1 16 16 LYS H H 1 9.287 0.008 . . . . . . 16 LYS H . 25970 1 178 . 1 1 16 16 LYS HA H 1 4.014 0.008 . . . . . . 16 LYS HA . 25970 1 179 . 1 1 16 16 LYS HB2 H 1 1.681 0.008 . . . . . . 16 LYS QB . 25970 1 180 . 1 1 16 16 LYS HB3 H 1 1.681 0.008 . . . . . . 16 LYS QB . 25970 1 181 . 1 1 16 16 LYS HG2 H 1 1.413 0.008 . . . . . . 16 LYS HG2 . 25970 1 182 . 1 1 16 16 LYS HG3 H 1 1.534 0.008 . . . . . . 16 LYS HG3 . 25970 1 183 . 1 1 16 16 LYS HD2 H 1 1.592 0.008 . . . . . . 16 LYS QD . 25970 1 184 . 1 1 16 16 LYS HD3 H 1 1.592 0.008 . . . . . . 16 LYS QD . 25970 1 185 . 1 1 16 16 LYS HE2 H 1 2.864 0.008 . . . . . . 16 LYS QE . 25970 1 186 . 1 1 16 16 LYS HE3 H 1 2.864 0.008 . . . . . . 16 LYS QE . 25970 1 187 . 1 1 16 16 LYS C C 13 176.802 0.19 . . . . . . 16 LYS C . 25970 1 188 . 1 1 16 16 LYS CA C 13 56.610 0.19 . . . . . . 16 LYS CA . 25970 1 189 . 1 1 16 16 LYS CB C 13 30.008 0.19 . . . . . . 16 LYS CB . 25970 1 190 . 1 1 16 16 LYS CG C 13 23.024 0.19 . . . . . . 16 LYS CG . 25970 1 191 . 1 1 16 16 LYS CD C 13 26.080 0.19 . . . . . . 16 LYS CD . 25970 1 192 . 1 1 16 16 LYS CE C 13 39.311 0.19 . . . . . . 16 LYS CE . 25970 1 193 . 1 1 16 16 LYS N N 15 115.595 0.14 . . . . . . 16 LYS N . 25970 1 194 . 1 1 17 17 VAL H H 1 7.005 0.008 . . . . . . 17 VAL H . 25970 1 195 . 1 1 17 17 VAL HA H 1 3.378 0.008 . . . . . . 17 VAL HA . 25970 1 196 . 1 1 17 17 VAL HB H 1 1.986 0.008 . . . . . . 17 VAL HB . 25970 1 197 . 1 1 17 17 VAL HG11 H 1 0.907 0.008 . . . . . . 17 VAL QG1 . 25970 1 198 . 1 1 17 17 VAL HG12 H 1 0.907 0.008 . . . . . . 17 VAL QG1 . 25970 1 199 . 1 1 17 17 VAL HG13 H 1 0.907 0.008 . . . . . . 17 VAL QG1 . 25970 1 200 . 1 1 17 17 VAL HG21 H 1 0.775 0.008 . . . . . . 17 VAL QG2 . 25970 1 201 . 1 1 17 17 VAL HG22 H 1 0.775 0.008 . . . . . . 17 VAL QG2 . 25970 1 202 . 1 1 17 17 VAL HG23 H 1 0.775 0.008 . . . . . . 17 VAL QG2 . 25970 1 203 . 1 1 17 17 VAL C C 13 173.947 0.19 . . . . . . 17 VAL C . 25970 1 204 . 1 1 17 17 VAL CA C 13 62.800 0.19 . . . . . . 17 VAL CA . 25970 1 205 . 1 1 17 17 VAL CB C 13 29.201 0.19 . . . . . . 17 VAL CB . 25970 1 206 . 1 1 17 17 VAL CG1 C 13 20.508 0.19 . . . . . . 17 VAL CG1 . 25970 1 207 . 1 1 17 17 VAL CG2 C 13 19.353 0.19 . . . . . . 17 VAL CG2 . 25970 1 208 . 1 1 17 17 VAL N N 15 118.379 0.14 . . . . . . 17 VAL N . 25970 1 209 . 1 1 18 18 ALA H H 1 8.350 0.008 . . . . . . 18 ALA H . 25970 1 210 . 1 1 18 18 ALA HA H 1 3.724 0.008 . . . . . . 18 ALA HA . 25970 1 211 . 1 1 18 18 ALA HB1 H 1 1.095 0.008 . . . . . . 18 ALA QB . 25970 1 212 . 1 1 18 18 ALA HB2 H 1 1.095 0.008 . . . . . . 18 ALA QB . 25970 1 213 . 1 1 18 18 ALA HB3 H 1 1.095 0.008 . . . . . . 18 ALA QB . 25970 1 214 . 1 1 18 18 ALA C C 13 176.579 0.19 . . . . . . 18 ALA C . 25970 1 215 . 1 1 18 18 ALA CA C 13 52.454 0.19 . . . . . . 18 ALA CA . 25970 1 216 . 1 1 18 18 ALA CB C 13 15.665 0.19 . . . . . . 18 ALA CB . 25970 1 217 . 1 1 18 18 ALA N N 15 121.741 0.14 . . . . . . 18 ALA N . 25970 1 218 . 1 1 19 19 GLU H H 1 8.588 0.008 . . . . . . 19 GLU H . 25970 1 219 . 1 1 19 19 GLU HA H 1 3.904 0.008 . . . . . . 19 GLU HA . 25970 1 220 . 1 1 19 19 GLU HB2 H 1 1.941 0.008 . . . . . . 19 GLU HB2 . 25970 1 221 . 1 1 19 19 GLU HB3 H 1 2.085 0.008 . . . . . . 19 GLU HB3 . 25970 1 222 . 1 1 19 19 GLU HG2 H 1 2.559 0.008 . . . . . . 19 GLU HG2 . 25970 1 223 . 1 1 19 19 GLU HG3 H 1 2.094 0.008 . . . . . . 19 GLU HG3 . 25970 1 224 . 1 1 19 19 GLU C C 13 176.196 0.19 . . . . . . 19 GLU C . 25970 1 225 . 1 1 19 19 GLU CA C 13 56.980 0.19 . . . . . . 19 GLU CA . 25970 1 226 . 1 1 19 19 GLU CB C 13 27.433 0.19 . . . . . . 19 GLU CB . 25970 1 227 . 1 1 19 19 GLU CG C 13 34.427 0.19 . . . . . . 19 GLU CG . 25970 1 228 . 1 1 19 19 GLU N N 15 116.150 0.14 . . . . . . 19 GLU N . 25970 1 229 . 1 1 20 20 LYS H H 1 7.355 0.008 . . . . . . 20 LYS H . 25970 1 230 . 1 1 20 20 LYS HA H 1 4.063 0.008 . . . . . . 20 LYS HA . 25970 1 231 . 1 1 20 20 LYS HB2 H 1 1.941 0.008 . . . . . . 20 LYS HB2 . 25970 1 232 . 1 1 20 20 LYS HB3 H 1 2.087 0.008 . . . . . . 20 LYS HB3 . 25970 1 233 . 1 1 20 20 LYS HG2 H 1 2.087 0.008 . . . . . . 20 LYS QG . 25970 1 234 . 1 1 20 20 LYS HG3 H 1 2.087 0.008 . . . . . . 20 LYS QG . 25970 1 235 . 1 1 20 20 LYS HD2 H 1 1.805 0.008 . . . . . . 20 LYS QD . 25970 1 236 . 1 1 20 20 LYS HD3 H 1 1.805 0.008 . . . . . . 20 LYS QD . 25970 1 237 . 1 1 20 20 LYS HE2 H 1 2.840 0.008 . . . . . . 20 LYS HE2 . 25970 1 238 . 1 1 20 20 LYS C C 13 175.716 0.19 . . . . . . 20 LYS C . 25970 1 239 . 1 1 20 20 LYS CA C 13 54.279 0.19 . . . . . . 20 LYS CA . 25970 1 240 . 1 1 20 20 LYS CB C 13 27.588 0.19 . . . . . . 20 LYS CB . 25970 1 241 . 1 1 20 20 LYS CG C 13 27.221 0.19 . . . . . . 20 LYS CG . 25970 1 242 . 1 1 20 20 LYS CD C 13 27.839 0.19 . . . . . . 20 LYS CD . 25970 1 243 . 1 1 20 20 LYS CE C 13 39.084 0.19 . . . . . . 20 LYS CE . 25970 1 244 . 1 1 20 20 LYS N N 15 120.149 0.14 . . . . . . 20 LYS N . 25970 1 245 . 1 1 21 21 LEU H H 1 8.208 0.008 . . . . . . 21 LEU H . 25970 1 246 . 1 1 21 21 LEU HA H 1 3.895 0.008 . . . . . . 21 LEU HA . 25970 1 247 . 1 1 21 21 LEU HB2 H 1 1.261 0.008 . . . . . . 21 LEU HB2 . 25970 1 248 . 1 1 21 21 LEU HB3 H 1 1.456 0.008 . . . . . . 21 LEU HB3 . 25970 1 249 . 1 1 21 21 LEU HG H 1 1.229 0.008 . . . . . . 21 LEU HG . 25970 1 250 . 1 1 21 21 LEU HD11 H 1 0.554 0.008 . . . . . . 21 LEU QD1 . 25970 1 251 . 1 1 21 21 LEU HD12 H 1 0.554 0.008 . . . . . . 21 LEU QD1 . 25970 1 252 . 1 1 21 21 LEU HD13 H 1 0.554 0.008 . . . . . . 21 LEU QD1 . 25970 1 253 . 1 1 21 21 LEU HD21 H 1 0.559 0.008 . . . . . . 21 LEU QD2 . 25970 1 254 . 1 1 21 21 LEU HD22 H 1 0.559 0.008 . . . . . . 21 LEU QD2 . 25970 1 255 . 1 1 21 21 LEU HD23 H 1 0.559 0.008 . . . . . . 21 LEU QD2 . 25970 1 256 . 1 1 21 21 LEU C C 13 175.154 0.19 . . . . . . 21 LEU C . 25970 1 257 . 1 1 21 21 LEU CA C 13 54.718 0.19 . . . . . . 21 LEU CA . 25970 1 258 . 1 1 21 21 LEU CB C 13 38.390 0.19 . . . . . . 21 LEU CB . 25970 1 259 . 1 1 21 21 LEU CG C 13 24.012 0.19 . . . . . . 21 LEU CG . 25970 1 260 . 1 1 21 21 LEU CD1 C 13 20.322 0.19 . . . . . . 21 LEU CD1 . 25970 1 261 . 1 1 21 21 LEU CD2 C 13 22.463 0.19 . . . . . . 21 LEU CD2 . 25970 1 262 . 1 1 21 21 LEU N N 15 120.104 0.14 . . . . . . 21 LEU N . 25970 1 263 . 1 1 22 22 ASP H H 1 8.381 0.008 . . . . . . 22 ASP H . 25970 1 264 . 1 1 22 22 ASP HA H 1 4.420 0.008 . . . . . . 22 ASP HA . 25970 1 265 . 1 1 22 22 ASP HB2 H 1 2.684 0.008 . . . . . . 22 ASP HB2 . 25970 1 266 . 1 1 22 22 ASP HB3 H 1 2.631 0.008 . . . . . . 22 ASP HB3 . 25970 1 267 . 1 1 22 22 ASP C C 13 175.187 0.19 . . . . . . 22 ASP C . 25970 1 268 . 1 1 22 22 ASP CA C 13 55.321 0.19 . . . . . . 22 ASP CA . 25970 1 269 . 1 1 22 22 ASP CB C 13 39.434 0.19 . . . . . . 22 ASP CB . 25970 1 270 . 1 1 22 22 ASP N N 15 118.676 0.14 . . . . . . 22 ASP N . 25970 1 271 . 1 1 23 23 GLU H H 1 7.764 0.008 . . . . . . 23 GLU H . 25970 1 272 . 1 1 23 23 GLU HA H 1 3.883 0.008 . . . . . . 23 GLU HA . 25970 1 273 . 1 1 23 23 GLU HB2 H 1 2.153 0.008 . . . . . . 23 GLU HB2 . 25970 1 274 . 1 1 23 23 GLU HB3 H 1 2.220 0.008 . . . . . . 23 GLU HB3 . 25970 1 275 . 1 1 23 23 GLU HG2 H 1 2.459 0.008 . . . . . . 23 GLU HG2 . 25970 1 276 . 1 1 23 23 GLU HG3 H 1 2.074 0.008 . . . . . . 23 GLU HG3 . 25970 1 277 . 1 1 23 23 GLU C C 13 177.135 0.19 . . . . . . 23 GLU C . 25970 1 278 . 1 1 23 23 GLU CA C 13 56.697 0.19 . . . . . . 23 GLU CA . 25970 1 279 . 1 1 23 23 GLU CB C 13 27.106 0.19 . . . . . . 23 GLU CB . 25970 1 280 . 1 1 23 23 GLU CG C 13 33.899 0.19 . . . . . . 23 GLU CG . 25970 1 281 . 1 1 23 23 GLU N N 15 117.118 0.14 . . . . . . 23 GLU N . 25970 1 282 . 1 1 24 24 ILE H H 1 7.518 0.008 . . . . . . 24 ILE H . 25970 1 283 . 1 1 24 24 ILE HA H 1 3.605 0.008 . . . . . . 24 ILE HA . 25970 1 284 . 1 1 24 24 ILE HB H 1 2.196 0.008 . . . . . . 24 ILE HB . 25970 1 285 . 1 1 24 24 ILE HG12 H 1 1.997 0.008 . . . . . . 24 ILE HG12 . 25970 1 286 . 1 1 24 24 ILE HG13 H 1 0.814 0.008 . . . . . . 24 ILE HG13 . 25970 1 287 . 1 1 24 24 ILE HG21 H 1 0.883 0.008 . . . . . . 24 ILE QG2 . 25970 1 288 . 1 1 24 24 ILE HG22 H 1 0.883 0.008 . . . . . . 24 ILE QG2 . 25970 1 289 . 1 1 24 24 ILE HG23 H 1 0.883 0.008 . . . . . . 24 ILE QG2 . 25970 1 290 . 1 1 24 24 ILE HD11 H 1 0.875 0.008 . . . . . . 24 ILE QD1 . 25970 1 291 . 1 1 24 24 ILE HD12 H 1 0.875 0.008 . . . . . . 24 ILE QD1 . 25970 1 292 . 1 1 24 24 ILE HD13 H 1 0.875 0.008 . . . . . . 24 ILE QD1 . 25970 1 293 . 1 1 24 24 ILE C C 13 174.921 0.19 . . . . . . 24 ILE C . 25970 1 294 . 1 1 24 24 ILE CA C 13 63.129 0.19 . . . . . . 24 ILE CA . 25970 1 295 . 1 1 24 24 ILE CB C 13 35.032 0.19 . . . . . . 24 ILE CB . 25970 1 296 . 1 1 24 24 ILE CG1 C 13 27.358 0.19 . . . . . . 24 ILE CG1 . 25970 1 297 . 1 1 24 24 ILE CG2 C 13 15.998 0.19 . . . . . . 24 ILE CG2 . 25970 1 298 . 1 1 24 24 ILE CD1 C 13 12.385 0.19 . . . . . . 24 ILE CD1 . 25970 1 299 . 1 1 24 24 ILE N N 15 121.428 0.14 . . . . . . 24 ILE N . 25970 1 300 . 1 1 25 25 TYR H H 1 7.974 0.008 . . . . . . 25 TYR H . 25970 1 301 . 1 1 25 25 TYR HA H 1 4.811 0.008 . . . . . . 25 TYR HA . 25970 1 302 . 1 1 25 25 TYR HB2 H 1 3.110 0.008 . . . . . . 25 TYR HB2 . 25970 1 303 . 1 1 25 25 TYR HB3 H 1 3.343 0.008 . . . . . . 25 TYR HB3 . 25970 1 304 . 1 1 25 25 TYR HD1 H 1 7.013 0.008 . . . . . . 25 TYR QD . 25970 1 305 . 1 1 25 25 TYR HD2 H 1 7.013 0.008 . . . . . . 25 TYR QD . 25970 1 306 . 1 1 25 25 TYR HE1 H 1 6.492 0.008 . . . . . . 25 TYR QE . 25970 1 307 . 1 1 25 25 TYR HE2 H 1 6.492 0.008 . . . . . . 25 TYR QE . 25970 1 308 . 1 1 25 25 TYR C C 13 179.020 0.19 . . . . . . 25 TYR C . 25970 1 309 . 1 1 25 25 TYR CA C 13 56.160 0.19 . . . . . . 25 TYR CA . 25970 1 310 . 1 1 25 25 TYR CB C 13 34.550 0.19 . . . . . . 25 TYR CB . 25970 1 311 . 1 1 25 25 TYR CD1 C 13 129.268 0.19 . . . . . . 25 TYR CD1 . 25970 1 312 . 1 1 25 25 TYR CE1 C 13 115.928 0.19 . . . . . . 25 TYR CE1 . 25970 1 313 . 1 1 25 25 TYR N N 15 120.882 0.14 . . . . . . 25 TYR N . 25970 1 314 . 1 1 26 26 VAL H H 1 9.111 0.008 . . . . . . 26 VAL H . 25970 1 315 . 1 1 26 26 VAL HA H 1 3.592 0.008 . . . . . . 26 VAL HA . 25970 1 316 . 1 1 26 26 VAL HB H 1 2.045 0.008 . . . . . . 26 VAL HB . 25970 1 317 . 1 1 26 26 VAL HG11 H 1 1.042 0.008 . . . . . . 26 VAL QG1 . 25970 1 318 . 1 1 26 26 VAL HG12 H 1 1.042 0.008 . . . . . . 26 VAL QG1 . 25970 1 319 . 1 1 26 26 VAL HG13 H 1 1.042 0.008 . . . . . . 26 VAL QG1 . 25970 1 320 . 1 1 26 26 VAL HG21 H 1 0.882 0.008 . . . . . . 26 VAL QG2 . 25970 1 321 . 1 1 26 26 VAL HG22 H 1 0.882 0.008 . . . . . . 26 VAL QG2 . 25970 1 322 . 1 1 26 26 VAL HG23 H 1 0.882 0.008 . . . . . . 26 VAL QG2 . 25970 1 323 . 1 1 26 26 VAL C C 13 175.366 0.19 . . . . . . 26 VAL C . 25970 1 324 . 1 1 26 26 VAL CA C 13 63.452 0.19 . . . . . . 26 VAL CA . 25970 1 325 . 1 1 26 26 VAL CB C 13 29.139 0.19 . . . . . . 26 VAL CB . 25970 1 326 . 1 1 26 26 VAL CG1 C 13 20.984 0.19 . . . . . . 26 VAL CG1 . 25970 1 327 . 1 1 26 26 VAL CG2 C 13 18.559 0.19 . . . . . . 26 VAL CG2 . 25970 1 328 . 1 1 26 26 VAL N N 15 123.442 0.14 . . . . . . 26 VAL N . 25970 1 329 . 1 1 27 27 ALA H H 1 7.702 0.008 . . . . . . 27 ALA H . 25970 1 330 . 1 1 27 27 ALA HA H 1 4.199 0.008 . . . . . . 27 ALA HA . 25970 1 331 . 1 1 27 27 ALA HB1 H 1 1.479 0.008 . . . . . . 27 ALA QB . 25970 1 332 . 1 1 27 27 ALA HB2 H 1 1.479 0.008 . . . . . . 27 ALA QB . 25970 1 333 . 1 1 27 27 ALA HB3 H 1 1.479 0.008 . . . . . . 27 ALA QB . 25970 1 334 . 1 1 27 27 ALA C C 13 175.626 0.19 . . . . . . 27 ALA C . 25970 1 335 . 1 1 27 27 ALA CA C 13 50.235 0.19 . . . . . . 27 ALA CA . 25970 1 336 . 1 1 27 27 ALA CB C 13 16.045 0.19 . . . . . . 27 ALA CB . 25970 1 337 . 1 1 27 27 ALA N N 15 120.013 0.14 . . . . . . 27 ALA N . 25970 1 338 . 1 1 28 28 GLY H H 1 7.924 0.008 . . . . . . 28 GLY H . 25970 1 339 . 1 1 28 28 GLY HA2 H 1 4.010 0.008 . . . . . . 28 GLY HA2 . 25970 1 340 . 1 1 28 28 GLY HA3 H 1 3.767 0.008 . . . . . . 28 GLY HA3 . 25970 1 341 . 1 1 28 28 GLY C C 13 172.331 0.19 . . . . . . 28 GLY C . 25970 1 342 . 1 1 28 28 GLY CA C 13 42.594 0.19 . . . . . . 28 GLY CA . 25970 1 343 . 1 1 28 28 GLY N N 15 105.510 0.14 . . . . . . 28 GLY N . 25970 1 344 . 1 1 29 29 LEU H H 1 7.509 0.008 . . . . . . 29 LEU H . 25970 1 345 . 1 1 29 29 LEU HA H 1 3.997 0.008 . . . . . . 29 LEU HA . 25970 1 346 . 1 1 29 29 LEU HB2 H 1 1.379 0.008 . . . . . . 29 LEU HB2 . 25970 1 347 . 1 1 29 29 LEU HB3 H 1 1.657 0.008 . . . . . . 29 LEU HB3 . 25970 1 348 . 1 1 29 29 LEU HG H 1 1.513 0.008 . . . . . . 29 LEU HG . 25970 1 349 . 1 1 29 29 LEU HD11 H 1 0.760 0.008 . . . . . . 29 LEU QD1 . 25970 1 350 . 1 1 29 29 LEU HD12 H 1 0.760 0.008 . . . . . . 29 LEU QD1 . 25970 1 351 . 1 1 29 29 LEU HD13 H 1 0.760 0.008 . . . . . . 29 LEU QD1 . 25970 1 352 . 1 1 29 29 LEU HD21 H 1 0.888 0.008 . . . . . . 29 LEU QD2 . 25970 1 353 . 1 1 29 29 LEU HD22 H 1 0.888 0.008 . . . . . . 29 LEU QD2 . 25970 1 354 . 1 1 29 29 LEU HD23 H 1 0.888 0.008 . . . . . . 29 LEU QD2 . 25970 1 355 . 1 1 29 29 LEU C C 13 173.808 0.19 . . . . . . 29 LEU C . 25970 1 356 . 1 1 29 29 LEU CA C 13 54.193 0.19 . . . . . . 29 LEU CA . 25970 1 357 . 1 1 29 29 LEU CB C 13 39.854 0.19 . . . . . . 29 LEU CB . 25970 1 358 . 1 1 29 29 LEU CG C 13 24.712 0.19 . . . . . . 29 LEU CG . 25970 1 359 . 1 1 29 29 LEU CD1 C 13 20.290 0.19 . . . . . . 29 LEU CD1 . 25970 1 360 . 1 1 29 29 LEU CD2 C 13 22.968 0.19 . . . . . . 29 LEU CD2 . 25970 1 361 . 1 1 29 29 LEU N N 15 119.069 0.14 . . . . . . 29 LEU N . 25970 1 362 . 1 1 30 30 VAL H H 1 7.060 0.008 . . . . . . 30 VAL H . 25970 1 363 . 1 1 30 30 VAL HA H 1 4.209 0.008 . . . . . . 30 VAL HA . 25970 1 364 . 1 1 30 30 VAL HB H 1 2.035 0.008 . . . . . . 30 VAL HB . 25970 1 365 . 1 1 30 30 VAL HG11 H 1 0.849 0.008 . . . . . . 30 VAL QG1 . 25970 1 366 . 1 1 30 30 VAL HG12 H 1 0.849 0.008 . . . . . . 30 VAL QG1 . 25970 1 367 . 1 1 30 30 VAL HG13 H 1 0.849 0.008 . . . . . . 30 VAL QG1 . 25970 1 368 . 1 1 30 30 VAL HG21 H 1 0.667 0.008 . . . . . . 30 VAL QG2 . 25970 1 369 . 1 1 30 30 VAL HG22 H 1 0.667 0.008 . . . . . . 30 VAL QG2 . 25970 1 370 . 1 1 30 30 VAL HG23 H 1 0.667 0.008 . . . . . . 30 VAL QG2 . 25970 1 371 . 1 1 30 30 VAL C C 13 170.255 0.19 . . . . . . 30 VAL C . 25970 1 372 . 1 1 30 30 VAL CA C 13 56.314 0.19 . . . . . . 30 VAL CA . 25970 1 373 . 1 1 30 30 VAL CB C 13 32.457 0.19 . . . . . . 30 VAL CB . 25970 1 374 . 1 1 30 30 VAL CG1 C 13 19.420 0.19 . . . . . . 30 VAL CG1 . 25970 1 375 . 1 1 30 30 VAL CG2 C 13 18.037 0.19 . . . . . . 30 VAL CG2 . 25970 1 376 . 1 1 30 30 VAL N N 15 109.199 0.14 . . . . . . 30 VAL N . 25970 1 377 . 1 1 31 31 ALA H H 1 8.949 0.008 . . . . . . 31 ALA H . 25970 1 378 . 1 1 31 31 ALA HA H 1 4.553 0.008 . . . . . . 31 ALA HA . 25970 1 379 . 1 1 31 31 ALA HB1 H 1 1.282 0.008 . . . . . . 31 ALA QB . 25970 1 380 . 1 1 31 31 ALA HB2 H 1 1.282 0.008 . . . . . . 31 ALA QB . 25970 1 381 . 1 1 31 31 ALA HB3 H 1 1.282 0.008 . . . . . . 31 ALA QB . 25970 1 382 . 1 1 31 31 ALA C C 13 175.990 0.19 . . . . . . 31 ALA C . 25970 1 383 . 1 1 31 31 ALA CA C 13 47.468 0.19 . . . . . . 31 ALA CA . 25970 1 384 . 1 1 31 31 ALA CB C 13 18.087 0.19 . . . . . . 31 ALA CB . 25970 1 385 . 1 1 31 31 ALA N N 15 126.162 0.14 . . . . . . 31 ALA N . 25970 1 386 . 1 1 32 32 HIS H H 1 8.677 0.008 . . . . . . 32 HIS H . 25970 1 387 . 1 1 32 32 HIS HA H 1 3.985 0.008 . . . . . . 32 HIS HA . 25970 1 388 . 1 1 32 32 HIS HB2 H 1 2.774 0.008 . . . . . . 32 HIS HB2 . 25970 1 389 . 1 1 32 32 HIS HB3 H 1 2.818 0.008 . . . . . . 32 HIS HB3 . 25970 1 390 . 1 1 32 32 HIS HD2 H 1 6.891 0.008 . . . . . . 32 HIS HD2 . 25970 1 391 . 1 1 32 32 HIS HE1 H 1 7.885 0.008 . . . . . . 32 HIS HE1 . 25970 1 392 . 1 1 32 32 HIS C C 13 174.376 0.19 . . . . . . 32 HIS C . 25970 1 393 . 1 1 32 32 HIS CA C 13 56.678 0.19 . . . . . . 32 HIS CA . 25970 1 394 . 1 1 32 32 HIS CB C 13 26.589 0.19 . . . . . . 32 HIS CB . 25970 1 395 . 1 1 32 32 HIS CD2 C 13 116.245 0.19 . . . . . . 32 HIS CD2 . 25970 1 396 . 1 1 32 32 HIS CE1 C 13 134.380 0.19 . . . . . . 32 HIS CE1 . 25970 1 397 . 1 1 32 32 HIS N N 15 120.709 0.14 . . . . . . 32 HIS N . 25970 1 398 . 1 1 33 33 SER H H 1 7.810 0.008 . . . . . . 33 SER H . 25970 1 399 . 1 1 33 33 SER HA H 1 4.122 0.008 . . . . . . 33 SER HA . 25970 1 400 . 1 1 33 33 SER HB2 H 1 3.674 0.008 . . . . . . 33 SER HB2 . 25970 1 401 . 1 1 33 33 SER HB3 H 1 3.916 0.008 . . . . . . 33 SER HB3 . 25970 1 402 . 1 1 33 33 SER C C 13 172.435 0.19 . . . . . . 33 SER C . 25970 1 403 . 1 1 33 33 SER CA C 13 56.128 0.19 . . . . . . 33 SER CA . 25970 1 404 . 1 1 33 33 SER CB C 13 60.021 0.19 . . . . . . 33 SER CB . 25970 1 405 . 1 1 33 33 SER N N 15 109.944 0.14 . . . . . . 33 SER N . 25970 1 406 . 1 1 34 34 ASP H H 1 7.672 0.008 . . . . . . 34 ASP H . 25970 1 407 . 1 1 34 34 ASP HA H 1 4.514 0.008 . . . . . . 34 ASP HA . 25970 1 408 . 1 1 34 34 ASP HB2 H 1 2.553 0.008 . . . . . . 34 ASP HB2 . 25970 1 409 . 1 1 34 34 ASP HB3 H 1 2.916 0.008 . . . . . . 34 ASP HB3 . 25970 1 410 . 1 1 34 34 ASP CA C 13 53.419 0.19 . . . . . . 34 ASP CA . 25970 1 411 . 1 1 34 34 ASP CB C 13 39.634 0.19 . . . . . . 34 ASP CB . 25970 1 412 . 1 1 34 34 ASP N N 15 119.726 0.14 . . . . . . 34 ASP N . 25970 1 413 . 1 1 35 35 LEU H H 1 7.389 0.008 . . . . . . 35 LEU H . 25970 1 414 . 1 1 35 35 LEU HA H 1 4.442 0.008 . . . . . . 35 LEU HA . 25970 1 415 . 1 1 35 35 LEU HB2 H 1 1.789 0.008 . . . . . . 35 LEU HB2 . 25970 1 416 . 1 1 35 35 LEU HB3 H 1 0.973 0.008 . . . . . . 35 LEU HB3 . 25970 1 417 . 1 1 35 35 LEU HG H 1 1.515 0.008 . . . . . . 35 LEU HG . 25970 1 418 . 1 1 35 35 LEU HD11 H 1 0.567 0.008 . . . . . . 35 LEU QD1 . 25970 1 419 . 1 1 35 35 LEU HD12 H 1 0.567 0.008 . . . . . . 35 LEU QD1 . 25970 1 420 . 1 1 35 35 LEU HD13 H 1 0.567 0.008 . . . . . . 35 LEU QD1 . 25970 1 421 . 1 1 35 35 LEU HD21 H 1 0.696 0.008 . . . . . . 35 LEU QD2 . 25970 1 422 . 1 1 35 35 LEU HD22 H 1 0.696 0.008 . . . . . . 35 LEU QD2 . 25970 1 423 . 1 1 35 35 LEU HD23 H 1 0.696 0.008 . . . . . . 35 LEU QD2 . 25970 1 424 . 1 1 35 35 LEU CA C 13 50.320 0.19 . . . . . . 35 LEU CA . 25970 1 425 . 1 1 35 35 LEU CB C 13 38.779 0.19 . . . . . . 35 LEU CB . 25970 1 426 . 1 1 35 35 LEU CG C 13 24.184 0.19 . . . . . . 35 LEU CG . 25970 1 427 . 1 1 35 35 LEU CD1 C 13 20.502 0.19 . . . . . . 35 LEU CD1 . 25970 1 428 . 1 1 35 35 LEU CD2 C 13 22.866 0.19 . . . . . . 35 LEU CD2 . 25970 1 429 . 1 1 35 35 LEU N N 15 118.140 0.14 . . . . . . 35 LEU N . 25970 1 430 . 1 1 36 36 ASP H H 1 8.026 0.008 . . . . . . 36 ASP H . 25970 1 431 . 1 1 36 36 ASP HA H 1 4.415 0.008 . . . . . . 36 ASP HA . 25970 1 432 . 1 1 36 36 ASP HB2 H 1 2.929 0.008 . . . . . . 36 ASP HB2 . 25970 1 433 . 1 1 36 36 ASP HB3 H 1 2.612 0.008 . . . . . . 36 ASP HB3 . 25970 1 434 . 1 1 36 36 ASP C C 13 173.045 0.19 . . . . . . 36 ASP C . 25970 1 435 . 1 1 36 36 ASP CA C 13 49.807 0.19 . . . . . . 36 ASP CA . 25970 1 436 . 1 1 36 36 ASP CB C 13 39.302 0.19 . . . . . . 36 ASP CB . 25970 1 437 . 1 1 36 36 ASP N N 15 122.935 0.14 . . . . . . 36 ASP N . 25970 1 438 . 1 1 37 37 GLU H H 1 8.578 0.008 . . . . . . 37 GLU H . 25970 1 439 . 1 1 37 37 GLU HA H 1 3.817 0.008 . . . . . . 37 GLU HA . 25970 1 440 . 1 1 37 37 GLU HB2 H 1 1.947 0.008 . . . . . . 37 GLU QB . 25970 1 441 . 1 1 37 37 GLU HB3 H 1 1.947 0.008 . . . . . . 37 GLU QB . 25970 1 442 . 1 1 37 37 GLU HG2 H 1 2.243 0.008 . . . . . . 37 GLU QG . 25970 1 443 . 1 1 37 37 GLU HG3 H 1 2.243 0.008 . . . . . . 37 GLU QG . 25970 1 444 . 1 1 37 37 GLU C C 13 175.873 0.19 . . . . . . 37 GLU C . 25970 1 445 . 1 1 37 37 GLU CA C 13 56.898 0.19 . . . . . . 37 GLU CA . 25970 1 446 . 1 1 37 37 GLU CB C 13 26.560 0.19 . . . . . . 37 GLU CB . 25970 1 447 . 1 1 37 37 GLU CG C 13 33.482 0.19 . . . . . . 37 GLU CG . 25970 1 448 . 1 1 37 37 GLU N N 15 119.313 0.14 . . . . . . 37 GLU N . 25970 1 449 . 1 1 38 38 ARG H H 1 7.968 0.008 . . . . . . 38 ARG H . 25970 1 450 . 1 1 38 38 ARG HA H 1 3.923 0.008 . . . . . . 38 ARG HA . 25970 1 451 . 1 1 38 38 ARG HB2 H 1 1.711 0.008 . . . . . . 38 ARG HB2 . 25970 1 452 . 1 1 38 38 ARG HB3 H 1 1.801 0.008 . . . . . . 38 ARG HB3 . 25970 1 453 . 1 1 38 38 ARG HG2 H 1 1.583 0.008 . . . . . . 38 ARG QG . 25970 1 454 . 1 1 38 38 ARG HG3 H 1 1.583 0.008 . . . . . . 38 ARG QG . 25970 1 455 . 1 1 38 38 ARG HD2 H 1 3.099 0.008 . . . . . . 38 ARG QD . 25970 1 456 . 1 1 38 38 ARG HD3 H 1 3.099 0.008 . . . . . . 38 ARG QD . 25970 1 457 . 1 1 38 38 ARG C C 13 176.280 0.19 . . . . . . 38 ARG C . 25970 1 458 . 1 1 38 38 ARG CA C 13 55.770 0.19 . . . . . . 38 ARG CA . 25970 1 459 . 1 1 38 38 ARG CB C 13 26.747 0.19 . . . . . . 38 ARG CB . 25970 1 460 . 1 1 38 38 ARG CG C 13 24.439 0.19 . . . . . . 38 ARG CG . 25970 1 461 . 1 1 38 38 ARG CD C 13 40.469 0.19 . . . . . . 38 ARG CD . 25970 1 462 . 1 1 38 38 ARG N N 15 117.845 0.14 . . . . . . 38 ARG N . 25970 1 463 . 1 1 38 38 ARG NH2 N 15 75.993 0.14 . . . . . . 38 ARG NH2 . 25970 1 464 . 1 1 39 39 ALA H H 1 7.859 0.008 . . . . . . 39 ALA H . 25970 1 465 . 1 1 39 39 ALA HA H 1 3.870 0.008 . . . . . . 39 ALA HA . 25970 1 466 . 1 1 39 39 ALA HB1 H 1 1.307 0.008 . . . . . . 39 ALA QB . 25970 1 467 . 1 1 39 39 ALA HB2 H 1 1.307 0.008 . . . . . . 39 ALA QB . 25970 1 468 . 1 1 39 39 ALA HB3 H 1 1.307 0.008 . . . . . . 39 ALA QB . 25970 1 469 . 1 1 39 39 ALA C C 13 175.869 0.19 . . . . . . 39 ALA C . 25970 1 470 . 1 1 39 39 ALA CA C 13 52.172 0.19 . . . . . . 39 ALA CA . 25970 1 471 . 1 1 39 39 ALA CB C 13 15.300 0.19 . . . . . . 39 ALA CB . 25970 1 472 . 1 1 39 39 ALA N N 15 123.101 0.14 . . . . . . 39 ALA N . 25970 1 473 . 1 1 40 40 ILE H H 1 7.425 0.008 . . . . . . 40 ILE H . 25970 1 474 . 1 1 40 40 ILE HA H 1 3.434 0.008 . . . . . . 40 ILE HA . 25970 1 475 . 1 1 40 40 ILE HB H 1 1.854 0.008 . . . . . . 40 ILE HB . 25970 1 476 . 1 1 40 40 ILE HG12 H 1 1.094 0.008 . . . . . . 40 ILE HG12 . 25970 1 477 . 1 1 40 40 ILE HG13 H 1 1.319 0.008 . . . . . . 40 ILE HG13 . 25970 1 478 . 1 1 40 40 ILE HG21 H 1 0.703 0.008 . . . . . . 40 ILE QG2 . 25970 1 479 . 1 1 40 40 ILE HG22 H 1 0.703 0.008 . . . . . . 40 ILE QG2 . 25970 1 480 . 1 1 40 40 ILE HG23 H 1 0.703 0.008 . . . . . . 40 ILE QG2 . 25970 1 481 . 1 1 40 40 ILE HD11 H 1 0.526 0.008 . . . . . . 40 ILE QD1 . 25970 1 482 . 1 1 40 40 ILE HD12 H 1 0.526 0.008 . . . . . . 40 ILE QD1 . 25970 1 483 . 1 1 40 40 ILE HD13 H 1 0.526 0.008 . . . . . . 40 ILE QD1 . 25970 1 484 . 1 1 40 40 ILE C C 13 175.192 0.19 . . . . . . 40 ILE C . 25970 1 485 . 1 1 40 40 ILE CA C 13 60.787 0.19 . . . . . . 40 ILE CA . 25970 1 486 . 1 1 40 40 ILE CB C 13 33.741 0.19 . . . . . . 40 ILE CB . 25970 1 487 . 1 1 40 40 ILE CG1 C 13 25.598 0.19 . . . . . . 40 ILE CG1 . 25970 1 488 . 1 1 40 40 ILE CG2 C 13 14.559 0.19 . . . . . . 40 ILE CG2 . 25970 1 489 . 1 1 40 40 ILE CD1 C 13 7.865 0.19 . . . . . . 40 ILE CD1 . 25970 1 490 . 1 1 40 40 ILE N N 15 116.419 0.14 . . . . . . 40 ILE N . 25970 1 491 . 1 1 41 41 GLU H H 1 8.181 0.008 . . . . . . 41 GLU H . 25970 1 492 . 1 1 41 41 GLU HA H 1 3.779 0.008 . . . . . . 41 GLU HA . 25970 1 493 . 1 1 41 41 GLU HB2 H 1 1.943 0.008 . . . . . . 41 GLU QB . 25970 1 494 . 1 1 41 41 GLU HB3 H 1 1.943 0.008 . . . . . . 41 GLU QB . 25970 1 495 . 1 1 41 41 GLU HG2 H 1 2.271 0.008 . . . . . . 41 GLU HG2 . 25970 1 496 . 1 1 41 41 GLU HG3 H 1 2.235 0.008 . . . . . . 41 GLU HG3 . 25970 1 497 . 1 1 41 41 GLU C C 13 176.502 0.19 . . . . . . 41 GLU C . 25970 1 498 . 1 1 41 41 GLU CA C 13 56.350 0.19 . . . . . . 41 GLU CA . 25970 1 499 . 1 1 41 41 GLU CB C 13 26.520 0.19 . . . . . . 41 GLU CB . 25970 1 500 . 1 1 41 41 GLU CG C 13 33.514 0.19 . . . . . . 41 GLU CG . 25970 1 501 . 1 1 41 41 GLU N N 15 117.790 0.14 . . . . . . 41 GLU N . 25970 1 502 . 1 1 42 42 ALA H H 1 7.613 0.008 . . . . . . 42 ALA H . 25970 1 503 . 1 1 42 42 ALA HA H 1 4.060 0.008 . . . . . . 42 ALA HA . 25970 1 504 . 1 1 42 42 ALA HB1 H 1 1.441 0.008 . . . . . . 42 ALA QB . 25970 1 505 . 1 1 42 42 ALA HB2 H 1 1.441 0.008 . . . . . . 42 ALA QB . 25970 1 506 . 1 1 42 42 ALA HB3 H 1 1.441 0.008 . . . . . . 42 ALA QB . 25970 1 507 . 1 1 42 42 ALA CA C 13 51.980 0.19 . . . . . . 42 ALA CA . 25970 1 508 . 1 1 42 42 ALA CB C 13 15.401 0.19 . . . . . . 42 ALA CB . 25970 1 509 . 1 1 42 42 ALA N N 15 120.812 0.14 . . . . . . 42 ALA N . 25970 1 510 . 1 1 43 43 LEU H H 1 7.769 0.008 . . . . . . 43 LEU H . 25970 1 511 . 1 1 43 43 LEU HA H 1 4.128 0.008 . . . . . . 43 LEU HA . 25970 1 512 . 1 1 43 43 LEU HB2 H 1 1.646 0.008 . . . . . . 43 LEU HB2 . 25970 1 513 . 1 1 43 43 LEU HB3 H 1 1.578 0.008 . . . . . . 43 LEU HB3 . 25970 1 514 . 1 1 43 43 LEU HG H 1 1.580 0.008 . . . . . . 43 LEU HG . 25970 1 515 . 1 1 43 43 LEU HD11 H 1 0.579 0.008 . . . . . . 43 LEU QD1 . 25970 1 516 . 1 1 43 43 LEU HD12 H 1 0.579 0.008 . . . . . . 43 LEU QD1 . 25970 1 517 . 1 1 43 43 LEU HD13 H 1 0.579 0.008 . . . . . . 43 LEU QD1 . 25970 1 518 . 1 1 43 43 LEU HD21 H 1 0.636 0.008 . . . . . . 43 LEU QD2 . 25970 1 519 . 1 1 43 43 LEU HD22 H 1 0.636 0.008 . . . . . . 43 LEU QD2 . 25970 1 520 . 1 1 43 43 LEU HD23 H 1 0.636 0.008 . . . . . . 43 LEU QD2 . 25970 1 521 . 1 1 43 43 LEU C C 13 176.358 0.19 . . . . . . 43 LEU C . 25970 1 522 . 1 1 43 43 LEU CA C 13 54.829 0.19 . . . . . . 43 LEU CA . 25970 1 523 . 1 1 43 43 LEU CB C 13 39.598 0.19 . . . . . . 43 LEU CB . 25970 1 524 . 1 1 43 43 LEU CG C 13 24.132 0.19 . . . . . . 43 LEU CG . 25970 1 525 . 1 1 43 43 LEU CD1 C 13 22.556 0.19 . . . . . . 43 LEU CD1 . 25970 1 526 . 1 1 43 43 LEU CD2 C 13 21.679 0.19 . . . . . . 43 LEU CD2 . 25970 1 527 . 1 1 43 43 LEU N N 15 120.398 0.14 . . . . . . 43 LEU N . 25970 1 528 . 1 1 44 44 LYS H H 1 7.733 0.008 . . . . . . 44 LYS H . 25970 1 529 . 1 1 44 44 LYS HA H 1 4.024 0.008 . . . . . . 44 LYS HA . 25970 1 530 . 1 1 44 44 LYS HB2 H 1 1.905 0.008 . . . . . . 44 LYS HB2 . 25970 1 531 . 1 1 44 44 LYS HB3 H 1 1.779 0.008 . . . . . . 44 LYS HB3 . 25970 1 532 . 1 1 44 44 LYS HG2 H 1 1.290 0.008 . . . . . . 44 LYS QG . 25970 1 533 . 1 1 44 44 LYS HG3 H 1 1.290 0.008 . . . . . . 44 LYS QG . 25970 1 534 . 1 1 44 44 LYS HD2 H 1 1.579 0.008 . . . . . . 44 LYS QD . 25970 1 535 . 1 1 44 44 LYS HD3 H 1 1.579 0.008 . . . . . . 44 LYS QD . 25970 1 536 . 1 1 44 44 LYS C C 13 174.405 0.19 . . . . . . 44 LYS C . 25970 1 537 . 1 1 44 44 LYS CA C 13 55.611 0.19 . . . . . . 44 LYS CA . 25970 1 538 . 1 1 44 44 LYS CB C 13 29.848 0.19 . . . . . . 44 LYS CB . 25970 1 539 . 1 1 44 44 LYS CG C 13 23.287 0.19 . . . . . . 44 LYS CG . 25970 1 540 . 1 1 44 44 LYS CD C 13 27.073 0.19 . . . . . . 44 LYS CD . 25970 1 541 . 1 1 44 44 LYS N N 15 116.588 0.14 . . . . . . 44 LYS N . 25970 1 542 . 1 1 45 45 GLU H H 1 7.294 0.008 . . . . . . 45 GLU H . 25970 1 543 . 1 1 45 45 GLU HA H 1 4.022 0.008 . . . . . . 45 GLU HA . 25970 1 544 . 1 1 45 45 GLU HB2 H 1 1.861 0.008 . . . . . . 45 GLU QB . 25970 1 545 . 1 1 45 45 GLU HB3 H 1 1.861 0.008 . . . . . . 45 GLU QB . 25970 1 546 . 1 1 45 45 GLU HG2 H 1 2.420 0.008 . . . . . . 45 GLU HG2 . 25970 1 547 . 1 1 45 45 GLU HG3 H 1 2.092 0.008 . . . . . . 45 GLU HG3 . 25970 1 548 . 1 1 45 45 GLU C C 13 174.393 0.19 . . . . . . 45 GLU C . 25970 1 549 . 1 1 45 45 GLU CA C 13 54.376 0.19 . . . . . . 45 GLU CA . 25970 1 550 . 1 1 45 45 GLU CB C 13 27.210 0.19 . . . . . . 45 GLU CB . 25970 1 551 . 1 1 45 45 GLU CG C 13 33.789 0.19 . . . . . . 45 GLU CG . 25970 1 552 . 1 1 45 45 GLU N N 15 115.805 0.14 . . . . . . 45 GLU N . 25970 1 553 . 1 1 46 46 PHE H H 1 7.362 0.008 . . . . . . 46 PHE H . 25970 1 554 . 1 1 46 46 PHE HA H 1 4.333 0.008 . . . . . . 46 PHE HA . 25970 1 555 . 1 1 46 46 PHE HB2 H 1 3.204 0.008 . . . . . . 46 PHE HB2 . 25970 1 556 . 1 1 46 46 PHE HB3 H 1 2.991 0.008 . . . . . . 46 PHE HB3 . 25970 1 557 . 1 1 46 46 PHE HD1 H 1 7.322 0.008 . . . . . . 46 PHE QD . 25970 1 558 . 1 1 46 46 PHE HD2 H 1 7.322 0.008 . . . . . . 46 PHE QD . 25970 1 559 . 1 1 46 46 PHE HE1 H 1 7.140 0.008 . . . . . . 46 PHE QE . 25970 1 560 . 1 1 46 46 PHE HE2 H 1 7.140 0.008 . . . . . . 46 PHE QE . 25970 1 561 . 1 1 46 46 PHE HZ H 1 7.230 0.008 . . . . . . 46 PHE HZ . 25970 1 562 . 1 1 46 46 PHE C C 13 173.947 0.19 . . . . . . 46 PHE C . 25970 1 563 . 1 1 46 46 PHE CA C 13 55.539 0.19 . . . . . . 46 PHE CA . 25970 1 564 . 1 1 46 46 PHE CB C 13 38.490 0.19 . . . . . . 46 PHE CB . 25970 1 565 . 1 1 46 46 PHE CD1 C 13 128.688 0.19 . . . . . . 46 PHE CD1 . 25970 1 566 . 1 1 46 46 PHE CD2 C 13 128.688 0.19 . . . . . . 46 PHE CD2 . 25970 1 567 . 1 1 46 46 PHE CE1 C 13 128.575 0.19 . . . . . . 46 PHE CE1 . 25970 1 568 . 1 1 46 46 PHE CE2 C 13 128.575 0.19 . . . . . . 46 PHE CE2 . 25970 1 569 . 1 1 46 46 PHE CZ C 13 125.683 0.19 . . . . . . 46 PHE CZ . 25970 1 570 . 1 1 46 46 PHE N N 15 118.412 0.14 . . . . . . 46 PHE N . 25970 1 571 . 1 1 47 47 ASN H H 1 8.383 0.008 . . . . . . 47 ASN H . 25970 1 572 . 1 1 47 47 ASN HA H 1 4.601 0.008 . . . . . . 47 ASN HA . 25970 1 573 . 1 1 47 47 ASN HB2 H 1 3.165 0.008 . . . . . . 47 ASN HB2 . 25970 1 574 . 1 1 47 47 ASN HB3 H 1 2.940 0.008 . . . . . . 47 ASN HB3 . 25970 1 575 . 1 1 47 47 ASN HD21 H 1 7.013 0.008 . . . . . . 47 ASN HD21 . 25970 1 576 . 1 1 47 47 ASN HD22 H 1 7.676 0.008 . . . . . . 47 ASN HD22 . 25970 1 577 . 1 1 47 47 ASN C C 13 172.502 0.19 . . . . . . 47 ASN C . 25970 1 578 . 1 1 47 47 ASN CA C 13 49.604 0.19 . . . . . . 47 ASN CA . 25970 1 579 . 1 1 47 47 ASN CB C 13 35.248 0.19 . . . . . . 47 ASN CB . 25970 1 580 . 1 1 47 47 ASN N N 15 117.521 0.14 . . . . . . 47 ASN N . 25970 1 581 . 1 1 47 47 ASN ND2 N 15 112.867 0.14 . . . . . . 47 ASN ND2 . 25970 1 582 . 1 1 48 48 GLU H H 1 8.671 0.008 . . . . . . 48 GLU H . 25970 1 583 . 1 1 48 48 GLU HA H 1 3.671 0.008 . . . . . . 48 GLU HA . 25970 1 584 . 1 1 48 48 GLU HB2 H 1 1.924 0.008 . . . . . . 48 GLU HB2 . 25970 1 585 . 1 1 48 48 GLU HB3 H 1 2.026 0.008 . . . . . . 48 GLU HB3 . 25970 1 586 . 1 1 48 48 GLU HG2 H 1 2.026 0.008 . . . . . . 48 GLU QG . 25970 1 587 . 1 1 48 48 GLU HG3 H 1 2.026 0.008 . . . . . . 48 GLU QG . 25970 1 588 . 1 1 48 48 GLU C C 13 174.316 0.19 . . . . . . 48 GLU C . 25970 1 589 . 1 1 48 48 GLU CA C 13 58.565 0.19 . . . . . . 48 GLU CA . 25970 1 590 . 1 1 48 48 GLU CB C 13 27.733 0.19 . . . . . . 48 GLU CB . 25970 1 591 . 1 1 48 48 GLU CG C 13 34.683 0.19 . . . . . . 48 GLU CG . 25970 1 592 . 1 1 48 48 GLU N N 15 121.077 0.14 . . . . . . 48 GLU N . 25970 1 593 . 1 1 49 49 ASP H H 1 8.200 0.008 . . . . . . 49 ASP H . 25970 1 594 . 1 1 49 49 ASP HA H 1 4.217 0.008 . . . . . . 49 ASP HA . 25970 1 595 . 1 1 49 49 ASP HB2 H 1 2.504 0.008 . . . . . . 49 ASP HB2 . 25970 1 596 . 1 1 49 49 ASP HB3 H 1 2.573 0.008 . . . . . . 49 ASP HB3 . 25970 1 597 . 1 1 49 49 ASP C C 13 176.775 0.19 . . . . . . 49 ASP C . 25970 1 598 . 1 1 49 49 ASP CA C 13 54.663 0.19 . . . . . . 49 ASP CA . 25970 1 599 . 1 1 49 49 ASP CB C 13 37.590 0.19 . . . . . . 49 ASP CB . 25970 1 600 . 1 1 49 49 ASP N N 15 115.255 0.14 . . . . . . 49 ASP N . 25970 1 601 . 1 1 50 50 GLY H H 1 8.150 0.008 . . . . . . 50 GLY H . 25970 1 602 . 1 1 50 50 GLY HA2 H 1 3.707 0.008 . . . . . . 50 GLY HA2 . 25970 1 603 . 1 1 50 50 GLY HA3 H 1 3.833 0.008 . . . . . . 50 GLY HA3 . 25970 1 604 . 1 1 50 50 GLY C C 13 171.491 0.19 . . . . . . 50 GLY C . 25970 1 605 . 1 1 50 50 GLY CA C 13 44.456 0.19 . . . . . . 50 GLY CA . 25970 1 606 . 1 1 50 50 GLY N N 15 109.705 0.14 . . . . . . 50 GLY N . 25970 1 607 . 1 1 51 51 ALA H H 1 8.547 0.008 . . . . . . 51 ALA H . 25970 1 608 . 1 1 51 51 ALA HA H 1 3.346 0.008 . . . . . . 51 ALA HA . 25970 1 609 . 1 1 51 51 ALA HB1 H 1 1.310 0.008 . . . . . . 51 ALA QB . 25970 1 610 . 1 1 51 51 ALA HB2 H 1 1.310 0.008 . . . . . . 51 ALA QB . 25970 1 611 . 1 1 51 51 ALA HB3 H 1 1.310 0.008 . . . . . . 51 ALA QB . 25970 1 612 . 1 1 51 51 ALA C C 13 177.028 0.19 . . . . . . 51 ALA C . 25970 1 613 . 1 1 51 51 ALA CA C 13 52.097 0.19 . . . . . . 51 ALA CA . 25970 1 614 . 1 1 51 51 ALA CB C 13 16.853 0.19 . . . . . . 51 ALA CB . 25970 1 615 . 1 1 51 51 ALA N N 15 123.574 0.14 . . . . . . 51 ALA N . 25970 1 616 . 1 1 52 52 LEU H H 1 8.131 0.008 . . . . . . 52 LEU H . 25970 1 617 . 1 1 52 52 LEU HA H 1 3.777 0.008 . . . . . . 52 LEU HA . 25970 1 618 . 1 1 52 52 LEU HB2 H 1 1.813 0.008 . . . . . . 52 LEU HB2 . 25970 1 619 . 1 1 52 52 LEU HB3 H 1 1.353 0.008 . . . . . . 52 LEU HB3 . 25970 1 620 . 1 1 52 52 LEU HG H 1 1.813 0.008 . . . . . . 52 LEU HG . 25970 1 621 . 1 1 52 52 LEU HD11 H 1 0.662 0.008 . . . . . . 52 LEU QD1 . 25970 1 622 . 1 1 52 52 LEU HD12 H 1 0.662 0.008 . . . . . . 52 LEU QD1 . 25970 1 623 . 1 1 52 52 LEU HD13 H 1 0.662 0.008 . . . . . . 52 LEU QD1 . 25970 1 624 . 1 1 52 52 LEU HD21 H 1 0.763 0.008 . . . . . . 52 LEU QD2 . 25970 1 625 . 1 1 52 52 LEU HD22 H 1 0.763 0.008 . . . . . . 52 LEU QD2 . 25970 1 626 . 1 1 52 52 LEU HD23 H 1 0.763 0.008 . . . . . . 52 LEU QD2 . 25970 1 627 . 1 1 52 52 LEU C C 13 176.763 0.19 . . . . . . 52 LEU C . 25970 1 628 . 1 1 52 52 LEU CA C 13 55.349 0.19 . . . . . . 52 LEU CA . 25970 1 629 . 1 1 52 52 LEU CB C 13 38.012 0.19 . . . . . . 52 LEU CB . 25970 1 630 . 1 1 52 52 LEU CG C 13 24.206 0.19 . . . . . . 52 LEU CG . 25970 1 631 . 1 1 52 52 LEU CD1 C 13 20.739 0.19 . . . . . . 52 LEU CD1 . 25970 1 632 . 1 1 52 52 LEU CD2 C 13 23.039 0.19 . . . . . . 52 LEU CD2 . 25970 1 633 . 1 1 52 52 LEU N N 15 115.645 0.14 . . . . . . 52 LEU N . 25970 1 634 . 1 1 53 53 ALA H H 1 7.525 0.008 . . . . . . 53 ALA H . 25970 1 635 . 1 1 53 53 ALA HA H 1 4.024 0.008 . . . . . . 53 ALA HA . 25970 1 636 . 1 1 53 53 ALA HB1 H 1 1.369 0.008 . . . . . . 53 ALA QB . 25970 1 637 . 1 1 53 53 ALA HB2 H 1 1.369 0.008 . . . . . . 53 ALA QB . 25970 1 638 . 1 1 53 53 ALA HB3 H 1 1.369 0.008 . . . . . . 53 ALA QB . 25970 1 639 . 1 1 53 53 ALA CA C 13 52.392 0.19 . . . . . . 53 ALA CA . 25970 1 640 . 1 1 53 53 ALA CB C 13 15.659 0.19 . . . . . . 53 ALA CB . 25970 1 641 . 1 1 53 53 ALA N N 15 123.428 0.14 . . . . . . 53 ALA N . 25970 1 642 . 1 1 54 54 VAL H H 1 7.879 0.008 . . . . . . 54 VAL H . 25970 1 643 . 1 1 54 54 VAL HA H 1 3.088 0.008 . . . . . . 54 VAL HA . 25970 1 644 . 1 1 54 54 VAL HB H 1 1.630 0.008 . . . . . . 54 VAL HB . 25970 1 645 . 1 1 54 54 VAL HG11 H 1 0.308 0.008 . . . . . . 54 VAL QG1 . 25970 1 646 . 1 1 54 54 VAL HG12 H 1 0.308 0.008 . . . . . . 54 VAL QG1 . 25970 1 647 . 1 1 54 54 VAL HG13 H 1 0.308 0.008 . . . . . . 54 VAL QG1 . 25970 1 648 . 1 1 54 54 VAL HG21 H 1 0.039 0.008 . . . . . . 54 VAL QG2 . 25970 1 649 . 1 1 54 54 VAL HG22 H 1 0.039 0.008 . . . . . . 54 VAL QG2 . 25970 1 650 . 1 1 54 54 VAL HG23 H 1 0.039 0.008 . . . . . . 54 VAL QG2 . 25970 1 651 . 1 1 54 54 VAL C C 13 175.873 0.19 . . . . . . 54 VAL C . 25970 1 652 . 1 1 54 54 VAL CA C 13 62.950 0.19 . . . . . . 54 VAL CA . 25970 1 653 . 1 1 54 54 VAL CB C 13 28.399 0.19 . . . . . . 54 VAL CB . 25970 1 654 . 1 1 54 54 VAL CG1 C 13 18.748 0.19 . . . . . . 54 VAL CG1 . 25970 1 655 . 1 1 54 54 VAL CG2 C 13 19.726 0.19 . . . . . . 54 VAL CG2 . 25970 1 656 . 1 1 54 54 VAL N N 15 119.325 0.14 . . . . . . 54 VAL N . 25970 1 657 . 1 1 55 55 LEU H H 1 7.967 0.008 . . . . . . 55 LEU H . 25970 1 658 . 1 1 55 55 LEU HA H 1 3.837 0.008 . . . . . . 55 LEU HA . 25970 1 659 . 1 1 55 55 LEU HB2 H 1 1.026 0.008 . . . . . . 55 LEU HB2 . 25970 1 660 . 1 1 55 55 LEU HB3 H 1 1.799 0.008 . . . . . . 55 LEU HB3 . 25970 1 661 . 1 1 55 55 LEU HG H 1 1.748 0.008 . . . . . . 55 LEU HG . 25970 1 662 . 1 1 55 55 LEU HD11 H 1 0.515 0.008 . . . . . . 55 LEU QD1 . 25970 1 663 . 1 1 55 55 LEU HD12 H 1 0.515 0.008 . . . . . . 55 LEU QD1 . 25970 1 664 . 1 1 55 55 LEU HD13 H 1 0.515 0.008 . . . . . . 55 LEU QD1 . 25970 1 665 . 1 1 55 55 LEU HD21 H 1 0.666 0.008 . . . . . . 55 LEU QD2 . 25970 1 666 . 1 1 55 55 LEU HD22 H 1 0.666 0.008 . . . . . . 55 LEU QD2 . 25970 1 667 . 1 1 55 55 LEU HD23 H 1 0.666 0.008 . . . . . . 55 LEU QD2 . 25970 1 668 . 1 1 55 55 LEU C C 13 176.014 0.19 . . . . . . 55 LEU C . 25970 1 669 . 1 1 55 55 LEU CA C 13 54.609 0.19 . . . . . . 55 LEU CA . 25970 1 670 . 1 1 55 55 LEU CB C 13 38.909 0.19 . . . . . . 55 LEU CB . 25970 1 671 . 1 1 55 55 LEU CG C 13 23.688 0.19 . . . . . . 55 LEU CG . 25970 1 672 . 1 1 55 55 LEU CD1 C 13 19.640 0.19 . . . . . . 55 LEU CD1 . 25970 1 673 . 1 1 55 55 LEU CD2 C 13 25.053 0.19 . . . . . . 55 LEU CD2 . 25970 1 674 . 1 1 55 55 LEU N N 15 118.068 0.14 . . . . . . 55 LEU N . 25970 1 675 . 1 1 56 56 GLN H H 1 8.100 0.008 . . . . . . 56 GLN H . 25970 1 676 . 1 1 56 56 GLN HA H 1 3.760 0.008 . . . . . . 56 GLN HA . 25970 1 677 . 1 1 56 56 GLN HB2 H 1 2.126 0.008 . . . . . . 56 GLN HB2 . 25970 1 678 . 1 1 56 56 GLN HB3 H 1 2.053 0.008 . . . . . . 56 GLN HB3 . 25970 1 679 . 1 1 56 56 GLN HG2 H 1 2.285 0.008 . . . . . . 56 GLN QG . 25970 1 680 . 1 1 56 56 GLN HG3 H 1 2.285 0.008 . . . . . . 56 GLN QG . 25970 1 681 . 1 1 56 56 GLN HE21 H 1 7.935 0.008 . . . . . . 56 GLN HE21 . 25970 1 682 . 1 1 56 56 GLN HE22 H 1 6.818 0.008 . . . . . . 56 GLN HE22 . 25970 1 683 . 1 1 56 56 GLN C C 13 174.356 0.19 . . . . . . 56 GLN C . 25970 1 684 . 1 1 56 56 GLN CA C 13 55.601 0.19 . . . . . . 56 GLN CA . 25970 1 685 . 1 1 56 56 GLN CB C 13 25.330 0.19 . . . . . . 56 GLN CB . 25970 1 686 . 1 1 56 56 GLN CG C 13 30.429 0.19 . . . . . . 56 GLN CG . 25970 1 687 . 1 1 56 56 GLN N N 15 120.271 0.14 . . . . . . 56 GLN N . 25970 1 688 . 1 1 56 56 GLN NE2 N 15 116.192 0.14 . . . . . . 56 GLN NE2 . 25970 1 689 . 1 1 57 57 GLN H H 1 7.718 0.008 . . . . . . 57 GLN H . 25970 1 690 . 1 1 57 57 GLN HA H 1 3.986 0.008 . . . . . . 57 GLN HA . 25970 1 691 . 1 1 57 57 GLN HB2 H 1 1.936 0.008 . . . . . . 57 GLN QB . 25970 1 692 . 1 1 57 57 GLN HB3 H 1 1.936 0.008 . . . . . . 57 GLN QB . 25970 1 693 . 1 1 57 57 GLN HG2 H 1 2.250 0.008 . . . . . . 57 GLN HG2 . 25970 1 694 . 1 1 57 57 GLN HG3 H 1 2.451 0.008 . . . . . . 57 GLN HG3 . 25970 1 695 . 1 1 57 57 GLN HE21 H 1 6.569 0.008 . . . . . . 57 GLN HE21 . 25970 1 696 . 1 1 57 57 GLN HE22 H 1 7.369 0.008 . . . . . . 57 GLN HE22 . 25970 1 697 . 1 1 57 57 GLN C C 13 177.122 0.19 . . . . . . 57 GLN C . 25970 1 698 . 1 1 57 57 GLN CA C 13 56.190 0.19 . . . . . . 57 GLN CA . 25970 1 699 . 1 1 57 57 GLN CB C 13 25.275 0.19 . . . . . . 57 GLN CB . 25970 1 700 . 1 1 57 57 GLN CG C 13 31.204 0.19 . . . . . . 57 GLN CG . 25970 1 701 . 1 1 57 57 GLN N N 15 117.571 0.14 . . . . . . 57 GLN N . 25970 1 702 . 1 1 57 57 GLN NE2 N 15 109.942 0.14 . . . . . . 57 GLN NE2 . 25970 1 703 . 1 1 58 58 PHE H H 1 8.494 0.008 . . . . . . 58 PHE H . 25970 1 704 . 1 1 58 58 PHE HA H 1 4.200 0.008 . . . . . . 58 PHE HA . 25970 1 705 . 1 1 58 58 PHE HB2 H 1 2.939 0.008 . . . . . . 58 PHE HB2 . 25970 1 706 . 1 1 58 58 PHE HB3 H 1 3.327 0.008 . . . . . . 58 PHE HB3 . 25970 1 707 . 1 1 58 58 PHE HD1 H 1 7.062 0.008 . . . . . . 58 PHE QD . 25970 1 708 . 1 1 58 58 PHE HD2 H 1 7.062 0.008 . . . . . . 58 PHE QD . 25970 1 709 . 1 1 58 58 PHE HE1 H 1 7.182 0.008 . . . . . . 58 PHE QE . 25970 1 710 . 1 1 58 58 PHE HE2 H 1 7.182 0.008 . . . . . . 58 PHE QE . 25970 1 711 . 1 1 58 58 PHE HZ H 1 6.918 0.008 . . . . . . 58 PHE HZ . 25970 1 712 . 1 1 58 58 PHE C C 13 172.946 0.19 . . . . . . 58 PHE C . 25970 1 713 . 1 1 58 58 PHE CA C 13 58.583 0.19 . . . . . . 58 PHE CA . 25970 1 714 . 1 1 58 58 PHE CB C 13 37.445 0.19 . . . . . . 58 PHE CB . 25970 1 715 . 1 1 58 58 PHE CD1 C 13 128.541 0.19 . . . . . . 58 PHE CD1 . 25970 1 716 . 1 1 58 58 PHE CD2 C 13 128.541 0.19 . . . . . . 58 PHE CD2 . 25970 1 717 . 1 1 58 58 PHE CE1 C 13 128.629 0.19 . . . . . . 58 PHE CE1 . 25970 1 718 . 1 1 58 58 PHE CE2 C 13 128.629 0.19 . . . . . . 58 PHE CE2 . 25970 1 719 . 1 1 58 58 PHE CZ C 13 126.517 0.19 . . . . . . 58 PHE CZ . 25970 1 720 . 1 1 58 58 PHE N N 15 120.337 0.14 . . . . . . 58 PHE N . 25970 1 721 . 1 1 59 59 LYS H H 1 8.421 0.008 . . . . . . 59 LYS H . 25970 1 722 . 1 1 59 59 LYS HA H 1 3.622 0.008 . . . . . . 59 LYS HA . 25970 1 723 . 1 1 59 59 LYS HB2 H 1 1.798 0.008 . . . . . . 59 LYS HB2 . 25970 1 724 . 1 1 59 59 LYS HG2 H 1 1.237 0.008 . . . . . . 59 LYS HG2 . 25970 1 725 . 1 1 59 59 LYS HG3 H 1 1.517 0.008 . . . . . . 59 LYS HG3 . 25970 1 726 . 1 1 59 59 LYS HD2 H 1 1.522 0.008 . . . . . . 59 LYS HD2 . 25970 1 727 . 1 1 59 59 LYS HD3 H 1 1.450 0.008 . . . . . . 59 LYS HD3 . 25970 1 728 . 1 1 59 59 LYS HE2 H 1 2.774 0.008 . . . . . . 59 LYS QE . 25970 1 729 . 1 1 59 59 LYS HE3 H 1 2.774 0.008 . . . . . . 59 LYS QE . 25970 1 730 . 1 1 59 59 LYS C C 13 174.011 0.19 . . . . . . 59 LYS C . 25970 1 731 . 1 1 59 59 LYS CA C 13 56.183 0.19 . . . . . . 59 LYS CA . 25970 1 732 . 1 1 59 59 LYS CB C 13 29.596 0.19 . . . . . . 59 LYS CB . 25970 1 733 . 1 1 59 59 LYS CG C 13 22.303 0.19 . . . . . . 59 LYS CG . 25970 1 734 . 1 1 59 59 LYS CD C 13 26.841 0.19 . . . . . . 59 LYS CD . 25970 1 735 . 1 1 59 59 LYS CE C 13 39.190 0.19 . . . . . . 59 LYS CE . 25970 1 736 . 1 1 59 59 LYS N N 15 117.717 0.14 . . . . . . 59 LYS N . 25970 1 737 . 1 1 60 60 ASP H H 1 7.627 0.008 . . . . . . 60 ASP H . 25970 1 738 . 1 1 60 60 ASP HA H 1 4.630 0.008 . . . . . . 60 ASP HA . 25970 1 739 . 1 1 60 60 ASP HB2 H 1 2.810 0.008 . . . . . . 60 ASP HB2 . 25970 1 740 . 1 1 60 60 ASP HB3 H 1 2.544 0.008 . . . . . . 60 ASP HB3 . 25970 1 741 . 1 1 60 60 ASP C C 13 174.252 0.19 . . . . . . 60 ASP C . 25970 1 742 . 1 1 60 60 ASP CA C 13 51.895 0.19 . . . . . . 60 ASP CA . 25970 1 743 . 1 1 60 60 ASP CB C 13 38.073 0.19 . . . . . . 60 ASP CB . 25970 1 744 . 1 1 60 60 ASP N N 15 116.567 0.14 . . . . . . 60 ASP N . 25970 1 745 . 1 1 61 61 SER H H 1 7.375 0.008 . . . . . . 61 SER H . 25970 1 746 . 1 1 61 61 SER HA H 1 4.380 0.008 . . . . . . 61 SER HA . 25970 1 747 . 1 1 61 61 SER HB2 H 1 3.902 0.008 . . . . . . 61 SER HB2 . 25970 1 748 . 1 1 61 61 SER HB3 H 1 3.624 0.008 . . . . . . 61 SER HB3 . 25970 1 749 . 1 1 61 61 SER C C 13 169.535 0.19 . . . . . . 61 SER C . 25970 1 750 . 1 1 61 61 SER CA C 13 56.579 0.19 . . . . . . 61 SER CA . 25970 1 751 . 1 1 61 61 SER CB C 13 61.590 0.19 . . . . . . 61 SER CB . 25970 1 752 . 1 1 61 61 SER N N 15 117.036 0.14 . . . . . . 61 SER N . 25970 1 753 . 1 1 62 62 ASP H H 1 8.503 0.008 . . . . . . 62 ASP H . 25970 1 754 . 1 1 62 62 ASP HA H 1 4.545 0.008 . . . . . . 62 ASP HA . 25970 1 755 . 1 1 62 62 ASP HB2 H 1 2.757 0.008 . . . . . . 62 ASP HB2 . 25970 1 756 . 1 1 62 62 ASP HB3 H 1 2.513 0.008 . . . . . . 62 ASP HB3 . 25970 1 757 . 1 1 62 62 ASP CA C 13 50.210 0.19 . . . . . . 62 ASP CA . 25970 1 758 . 1 1 62 62 ASP CB C 13 36.298 0.19 . . . . . . 62 ASP CB . 25970 1 759 . 1 1 62 62 ASP N N 15 120.555 0.14 . . . . . . 62 ASP N . 25970 1 760 . 1 1 63 63 LEU H H 1 8.252 0.008 . . . . . . 63 LEU H . 25970 1 761 . 1 1 63 63 LEU HA H 1 3.804 0.008 . . . . . . 63 LEU HA . 25970 1 762 . 1 1 63 63 LEU HB2 H 1 1.449 0.008 . . . . . . 63 LEU HB2 . 25970 1 763 . 1 1 63 63 LEU HB3 H 1 1.093 0.008 . . . . . . 63 LEU HB3 . 25970 1 764 . 1 1 63 63 LEU HG H 1 1.143 0.008 . . . . . . 63 LEU HG . 25970 1 765 . 1 1 63 63 LEU HD11 H 1 0.104 0.008 . . . . . . 63 LEU QD1 . 25970 1 766 . 1 1 63 63 LEU HD12 H 1 0.104 0.008 . . . . . . 63 LEU QD1 . 25970 1 767 . 1 1 63 63 LEU HD13 H 1 0.104 0.008 . . . . . . 63 LEU QD1 . 25970 1 768 . 1 1 63 63 LEU HD21 H 1 -0.180 0.008 . . . . . . 63 LEU QD2 . 25970 1 769 . 1 1 63 63 LEU HD22 H 1 -0.180 0.008 . . . . . . 63 LEU QD2 . 25970 1 770 . 1 1 63 63 LEU HD23 H 1 -0.180 0.008 . . . . . . 63 LEU QD2 . 25970 1 771 . 1 1 63 63 LEU CA C 13 51.895 0.19 . . . . . . 63 LEU CA . 25970 1 772 . 1 1 63 63 LEU CB C 13 39.085 0.19 . . . . . . 63 LEU CB . 25970 1 773 . 1 1 63 63 LEU CG C 13 23.210 0.19 . . . . . . 63 LEU CG . 25970 1 774 . 1 1 63 63 LEU CD1 C 13 23.174 0.19 . . . . . . 63 LEU CD1 . 25970 1 775 . 1 1 63 63 LEU CD2 C 13 20.024 0.19 . . . . . . 63 LEU CD2 . 25970 1 776 . 1 1 63 63 LEU N N 15 126.188 0.14 . . . . . . 63 LEU N . 25970 1 777 . 1 1 64 64 SER H H 1 8.221 0.008 . . . . . . 64 SER H . 25970 1 778 . 1 1 64 64 SER HA H 1 3.853 0.008 . . . . . . 64 SER HA . 25970 1 779 . 1 1 64 64 SER HB2 H 1 3.680 0.008 . . . . . . 64 SER HB2 . 25970 1 780 . 1 1 64 64 SER HB3 H 1 3.534 0.008 . . . . . . 64 SER HB3 . 25970 1 781 . 1 1 64 64 SER C C 13 172.835 0.19 . . . . . . 64 SER C . 25970 1 782 . 1 1 64 64 SER CA C 13 58.814 0.19 . . . . . . 64 SER CA . 25970 1 783 . 1 1 64 64 SER CB C 13 59.803 0.19 . . . . . . 64 SER CB . 25970 1 784 . 1 1 64 64 SER N N 15 116.368 0.14 . . . . . . 64 SER N . 25970 1 785 . 1 1 65 65 HIS H H 1 8.154 0.008 . . . . . . 65 HIS H . 25970 1 786 . 1 1 65 65 HIS HA H 1 4.713 0.008 . . . . . . 65 HIS HA . 25970 1 787 . 1 1 65 65 HIS HB2 H 1 2.704 0.008 . . . . . . 65 HIS HB2 . 25970 1 788 . 1 1 65 65 HIS HB3 H 1 3.432 0.008 . . . . . . 65 HIS HB3 . 25970 1 789 . 1 1 65 65 HIS HD2 H 1 7.179 0.008 . . . . . . 65 HIS HD2 . 25970 1 790 . 1 1 65 65 HIS HE1 H 1 8.354 0.008 . . . . . . 65 HIS HE1 . 25970 1 791 . 1 1 65 65 HIS C C 13 171.011 0.19 . . . . . . 65 HIS C . 25970 1 792 . 1 1 65 65 HIS CA C 13 52.241 0.19 . . . . . . 65 HIS CA . 25970 1 793 . 1 1 65 65 HIS CB C 13 25.656 0.19 . . . . . . 65 HIS CB . 25970 1 794 . 1 1 65 65 HIS CD2 C 13 117.092 0.19 . . . . . . 65 HIS CD2 . 25970 1 795 . 1 1 65 65 HIS CE1 C 13 133.324 0.19 . . . . . . 65 HIS CE1 . 25970 1 796 . 1 1 65 65 HIS N N 15 117.550 0.14 . . . . . . 65 HIS N . 25970 1 797 . 1 1 66 66 VAL H H 1 6.993 0.008 . . . . . . 66 VAL H . 25970 1 798 . 1 1 66 66 VAL HA H 1 3.860 0.008 . . . . . . 66 VAL HA . 25970 1 799 . 1 1 66 66 VAL HB H 1 1.650 0.008 . . . . . . 66 VAL HB . 25970 1 800 . 1 1 66 66 VAL HG11 H 1 0.575 0.008 . . . . . . 66 VAL QG1 . 25970 1 801 . 1 1 66 66 VAL HG12 H 1 0.575 0.008 . . . . . . 66 VAL QG1 . 25970 1 802 . 1 1 66 66 VAL HG13 H 1 0.575 0.008 . . . . . . 66 VAL QG1 . 25970 1 803 . 1 1 66 66 VAL HG21 H 1 0.403 0.008 . . . . . . 66 VAL QG2 . 25970 1 804 . 1 1 66 66 VAL HG22 H 1 0.403 0.008 . . . . . . 66 VAL QG2 . 25970 1 805 . 1 1 66 66 VAL HG23 H 1 0.403 0.008 . . . . . . 66 VAL QG2 . 25970 1 806 . 1 1 66 66 VAL C C 13 172.361 0.19 . . . . . . 66 VAL C . 25970 1 807 . 1 1 66 66 VAL CA C 13 59.059 0.19 . . . . . . 66 VAL CA . 25970 1 808 . 1 1 66 66 VAL CB C 13 29.748 0.19 . . . . . . 66 VAL CB . 25970 1 809 . 1 1 66 66 VAL CG1 C 13 19.341 0.19 . . . . . . 66 VAL CG1 . 25970 1 810 . 1 1 66 66 VAL CG2 C 13 18.329 0.19 . . . . . . 66 VAL CG2 . 25970 1 811 . 1 1 66 66 VAL N N 15 121.439 0.14 . . . . . . 66 VAL N . 25970 1 812 . 1 1 67 67 GLN H H 1 8.560 0.008 . . . . . . 67 GLN H . 25970 1 813 . 1 1 67 67 GLN HA H 1 4.141 0.008 . . . . . . 67 GLN HA . 25970 1 814 . 1 1 67 67 GLN HB2 H 1 2.035 0.008 . . . . . . 67 GLN HB2 . 25970 1 815 . 1 1 67 67 GLN HB3 H 1 1.892 0.008 . . . . . . 67 GLN HB3 . 25970 1 816 . 1 1 67 67 GLN HG2 H 1 2.325 0.008 . . . . . . 67 GLN QG . 25970 1 817 . 1 1 67 67 GLN HG3 H 1 2.325 0.008 . . . . . . 67 GLN QG . 25970 1 818 . 1 1 67 67 GLN HE21 H 1 6.758 0.008 . . . . . . 67 GLN HE21 . 25970 1 819 . 1 1 67 67 GLN HE22 H 1 7.408 0.008 . . . . . . 67 GLN HE22 . 25970 1 820 . 1 1 67 67 GLN CA C 13 55.047 0.19 . . . . . . 67 GLN CA . 25970 1 821 . 1 1 67 67 GLN CB C 13 26.494 0.19 . . . . . . 67 GLN CB . 25970 1 822 . 1 1 67 67 GLN CG C 13 31.288 0.19 . . . . . . 67 GLN CG . 25970 1 823 . 1 1 67 67 GLN N N 15 127.272 0.14 . . . . . . 67 GLN N . 25970 1 824 . 1 1 67 67 GLN NE2 N 15 112.133 0.14 . . . . . . 67 GLN NE2 . 25970 1 825 . 1 1 68 68 ASN H H 1 8.211 0.008 . . . . . . 68 ASN H . 25970 1 826 . 1 1 68 68 ASN HA H 1 4.932 0.008 . . . . . . 68 ASN HA . 25970 1 827 . 1 1 68 68 ASN HB2 H 1 2.636 0.008 . . . . . . 68 ASN HB2 . 25970 1 828 . 1 1 68 68 ASN HB3 H 1 3.071 0.008 . . . . . . 68 ASN HB3 . 25970 1 829 . 1 1 68 68 ASN HD21 H 1 7.684 0.008 . . . . . . 68 ASN HD21 . 25970 1 830 . 1 1 68 68 ASN HD22 H 1 7.079 0.008 . . . . . . 68 ASN HD22 . 25970 1 831 . 1 1 68 68 ASN C C 13 173.073 0.19 . . . . . . 68 ASN C . 25970 1 832 . 1 1 68 68 ASN CA C 13 48.605 0.19 . . . . . . 68 ASN CA . 25970 1 833 . 1 1 68 68 ASN CB C 13 35.214 0.19 . . . . . . 68 ASN CB . 25970 1 834 . 1 1 68 68 ASN N N 15 117.031 0.14 . . . . . . 68 ASN N . 25970 1 835 . 1 1 68 68 ASN ND2 N 15 112.879 0.14 . . . . . . 68 ASN ND2 . 25970 1 836 . 1 1 69 69 LYS H H 1 9.072 0.008 . . . . . . 69 LYS H . 25970 1 837 . 1 1 69 69 LYS HA H 1 3.927 0.008 . . . . . . 69 LYS HA . 25970 1 838 . 1 1 69 69 LYS HB2 H 1 1.884 0.008 . . . . . . 69 LYS HB2 . 25970 1 839 . 1 1 69 69 LYS HG2 H 1 1.564 0.008 . . . . . . 69 LYS HG2 . 25970 1 840 . 1 1 69 69 LYS HG3 H 1 1.376 0.008 . . . . . . 69 LYS HG3 . 25970 1 841 . 1 1 69 69 LYS HD2 H 1 1.663 0.008 . . . . . . 69 LYS QD . 25970 1 842 . 1 1 69 69 LYS HD3 H 1 1.663 0.008 . . . . . . 69 LYS QD . 25970 1 843 . 1 1 69 69 LYS HE2 H 1 2.995 0.008 . . . . . . 69 LYS QE . 25970 1 844 . 1 1 69 69 LYS HE3 H 1 2.995 0.008 . . . . . . 69 LYS QE . 25970 1 845 . 1 1 69 69 LYS C C 13 175.246 0.19 . . . . . . 69 LYS C . 25970 1 846 . 1 1 69 69 LYS CA C 13 57.495 0.19 . . . . . . 69 LYS CA . 25970 1 847 . 1 1 69 69 LYS CB C 13 30.487 0.19 . . . . . . 69 LYS CB . 25970 1 848 . 1 1 69 69 LYS CG C 13 25.349 0.19 . . . . . . 69 LYS CG . 25970 1 849 . 1 1 69 69 LYS CD C 13 26.795 0.19 . . . . . . 69 LYS CD . 25970 1 850 . 1 1 69 69 LYS CE C 13 40.016 0.19 . . . . . . 69 LYS CE . 25970 1 851 . 1 1 69 69 LYS N N 15 125.017 0.14 . . . . . . 69 LYS N . 25970 1 852 . 1 1 70 70 SER H H 1 8.514 0.008 . . . . . . 70 SER H . 25970 1 853 . 1 1 70 70 SER HB2 H 1 3.974 0.008 . . . . . . 70 SER HB2 . 25970 1 854 . 1 1 70 70 SER HB3 H 1 4.215 0.008 . . . . . . 70 SER HB3 . 25970 1 855 . 1 1 70 70 SER CB C 13 59.878 0.19 . . . . . . 70 SER CB . 25970 1 856 . 1 1 70 70 SER N N 15 115.927 0.14 . . . . . . 70 SER N . 25970 1 857 . 1 1 71 71 ALA H H 1 7.908 0.008 . . . . . . 71 ALA H . 25970 1 858 . 1 1 71 71 ALA HA H 1 3.962 0.008 . . . . . . 71 ALA HA . 25970 1 859 . 1 1 71 71 ALA HB1 H 1 1.330 0.008 . . . . . . 71 ALA QB . 25970 1 860 . 1 1 71 71 ALA HB2 H 1 1.330 0.008 . . . . . . 71 ALA QB . 25970 1 861 . 1 1 71 71 ALA HB3 H 1 1.330 0.008 . . . . . . 71 ALA QB . 25970 1 862 . 1 1 71 71 ALA CA C 13 51.854 0.19 . . . . . . 71 ALA CA . 25970 1 863 . 1 1 71 71 ALA CB C 13 15.126 0.19 . . . . . . 71 ALA CB . 25970 1 864 . 1 1 71 71 ALA N N 15 123.395 0.14 . . . . . . 71 ALA N . 25970 1 865 . 1 1 72 72 PHE H H 1 7.892 0.008 . . . . . . 72 PHE H . 25970 1 866 . 1 1 72 72 PHE HA H 1 4.134 0.008 . . . . . . 72 PHE HA . 25970 1 867 . 1 1 72 72 PHE HB2 H 1 3.190 0.008 . . . . . . 72 PHE QB . 25970 1 868 . 1 1 72 72 PHE HB3 H 1 3.190 0.008 . . . . . . 72 PHE QB . 25970 1 869 . 1 1 72 72 PHE HD1 H 1 7.175 0.008 . . . . . . 72 PHE QD . 25970 1 870 . 1 1 72 72 PHE HD2 H 1 7.175 0.008 . . . . . . 72 PHE QD . 25970 1 871 . 1 1 72 72 PHE HE1 H 1 7.246 0.008 . . . . . . 72 PHE QE . 25970 1 872 . 1 1 72 72 PHE HE2 H 1 7.246 0.008 . . . . . . 72 PHE QE . 25970 1 873 . 1 1 72 72 PHE HZ H 1 7.223 0.008 . . . . . . 72 PHE HZ . 25970 1 874 . 1 1 72 72 PHE C C 13 175.686 0.19 . . . . . . 72 PHE C . 25970 1 875 . 1 1 72 72 PHE CA C 13 58.850 0.19 . . . . . . 72 PHE CA . 25970 1 876 . 1 1 72 72 PHE CB C 13 37.404 0.19 . . . . . . 72 PHE CB . 25970 1 877 . 1 1 72 72 PHE CD1 C 13 128.727 0.19 . . . . . . 72 PHE CD1 . 25970 1 878 . 1 1 72 72 PHE CD2 C 13 128.727 0.19 . . . . . . 72 PHE CD2 . 25970 1 879 . 1 1 72 72 PHE CE1 C 13 128.874 0.19 . . . . . . 72 PHE CE1 . 25970 1 880 . 1 1 72 72 PHE CE2 C 13 128.874 0.19 . . . . . . 72 PHE CE2 . 25970 1 881 . 1 1 72 72 PHE CZ C 13 127.421 0.19 . . . . . . 72 PHE CZ . 25970 1 882 . 1 1 72 72 PHE N N 15 120.055 0.14 . . . . . . 72 PHE N . 25970 1 883 . 1 1 73 73 LEU H H 1 8.484 0.008 . . . . . . 73 LEU H . 25970 1 884 . 1 1 73 73 LEU HA H 1 3.751 0.008 . . . . . . 73 LEU HA . 25970 1 885 . 1 1 73 73 LEU HB2 H 1 1.854 0.008 . . . . . . 73 LEU HB2 . 25970 1 886 . 1 1 73 73 LEU HB3 H 1 1.064 0.008 . . . . . . 73 LEU HB3 . 25970 1 887 . 1 1 73 73 LEU HG H 1 1.251 0.008 . . . . . . 73 LEU HG . 25970 1 888 . 1 1 73 73 LEU HD11 H 1 0.326 0.008 . . . . . . 73 LEU QD1 . 25970 1 889 . 1 1 73 73 LEU HD12 H 1 0.326 0.008 . . . . . . 73 LEU QD1 . 25970 1 890 . 1 1 73 73 LEU HD13 H 1 0.326 0.008 . . . . . . 73 LEU QD1 . 25970 1 891 . 1 1 73 73 LEU HD21 H 1 0.104 0.008 . . . . . . 73 LEU QD2 . 25970 1 892 . 1 1 73 73 LEU HD22 H 1 0.104 0.008 . . . . . . 73 LEU QD2 . 25970 1 893 . 1 1 73 73 LEU HD23 H 1 0.104 0.008 . . . . . . 73 LEU QD2 . 25970 1 894 . 1 1 73 73 LEU C C 13 175.893 0.19 . . . . . . 73 LEU C . 25970 1 895 . 1 1 73 73 LEU CA C 13 55.639 0.19 . . . . . . 73 LEU CA . 25970 1 896 . 1 1 73 73 LEU CB C 13 37.550 0.19 . . . . . . 73 LEU CB . 25970 1 897 . 1 1 73 73 LEU CG C 13 23.979 0.19 . . . . . . 73 LEU CG . 25970 1 898 . 1 1 73 73 LEU CD1 C 13 22.761 0.19 . . . . . . 73 LEU CD1 . 25970 1 899 . 1 1 73 73 LEU CD2 C 13 18.964 0.19 . . . . . . 73 LEU CD2 . 25970 1 900 . 1 1 73 73 LEU N N 15 121.810 0.14 . . . . . . 73 LEU N . 25970 1 901 . 1 1 74 74 CYS H H 1 8.309 0.008 . . . . . . 74 CYS H . 25970 1 902 . 1 1 74 74 CYS HA H 1 4.119 0.008 . . . . . . 74 CYS HA . 25970 1 903 . 1 1 74 74 CYS HB2 H 1 2.955 0.008 . . . . . . 74 CYS HB2 . 25970 1 904 . 1 1 74 74 CYS HB3 H 1 2.775 0.008 . . . . . . 74 CYS HB3 . 25970 1 905 . 1 1 74 74 CYS C C 13 174.946 0.19 . . . . . . 74 CYS C . 25970 1 906 . 1 1 74 74 CYS CA C 13 61.373 0.19 . . . . . . 74 CYS CA . 25970 1 907 . 1 1 74 74 CYS CB C 13 23.618 0.19 . . . . . . 74 CYS CB . 25970 1 908 . 1 1 74 74 CYS N N 15 116.936 0.14 . . . . . . 74 CYS N . 25970 1 909 . 1 1 75 75 GLY H H 1 8.124 0.008 . . . . . . 75 GLY H . 25970 1 910 . 1 1 75 75 GLY HA2 H 1 3.795 0.008 . . . . . . 75 GLY HA2 . 25970 1 911 . 1 1 75 75 GLY HA3 H 1 3.761 0.008 . . . . . . 75 GLY HA3 . 25970 1 912 . 1 1 75 75 GLY C C 13 173.623 0.19 . . . . . . 75 GLY C . 25970 1 913 . 1 1 75 75 GLY CA C 13 44.471 0.19 . . . . . . 75 GLY CA . 25970 1 914 . 1 1 75 75 GLY N N 15 110.569 0.14 . . . . . . 75 GLY N . 25970 1 915 . 1 1 76 76 VAL H H 1 7.875 0.008 . . . . . . 76 VAL H . 25970 1 916 . 1 1 76 76 VAL HA H 1 3.512 0.008 . . . . . . 76 VAL HA . 25970 1 917 . 1 1 76 76 VAL HB H 1 2.148 0.008 . . . . . . 76 VAL HB . 25970 1 918 . 1 1 76 76 VAL HG11 H 1 0.869 0.008 . . . . . . 76 VAL QG1 . 25970 1 919 . 1 1 76 76 VAL HG12 H 1 0.869 0.008 . . . . . . 76 VAL QG1 . 25970 1 920 . 1 1 76 76 VAL HG13 H 1 0.869 0.008 . . . . . . 76 VAL QG1 . 25970 1 921 . 1 1 76 76 VAL HG21 H 1 0.713 0.008 . . . . . . 76 VAL QG2 . 25970 1 922 . 1 1 76 76 VAL HG22 H 1 0.713 0.008 . . . . . . 76 VAL QG2 . 25970 1 923 . 1 1 76 76 VAL HG23 H 1 0.713 0.008 . . . . . . 76 VAL QG2 . 25970 1 924 . 1 1 76 76 VAL CA C 13 63.458 0.19 . . . . . . 76 VAL CA . 25970 1 925 . 1 1 76 76 VAL CB C 13 28.598 0.19 . . . . . . 76 VAL CB . 25970 1 926 . 1 1 76 76 VAL CG1 C 13 20.117 0.19 . . . . . . 76 VAL CG1 . 25970 1 927 . 1 1 76 76 VAL CG2 C 13 20.175 0.19 . . . . . . 76 VAL CG2 . 25970 1 928 . 1 1 76 76 VAL N N 15 124.470 0.14 . . . . . . 76 VAL N . 25970 1 929 . 1 1 77 77 MET H H 1 7.945 0.008 . . . . . . 77 MET H . 25970 1 930 . 1 1 77 77 MET HA H 1 3.753 0.008 . . . . . . 77 MET HA . 25970 1 931 . 1 1 77 77 MET HB2 H 1 1.983 0.008 . . . . . . 77 MET HB2 . 25970 1 932 . 1 1 77 77 MET HB3 H 1 2.488 0.008 . . . . . . 77 MET HB3 . 25970 1 933 . 1 1 77 77 MET HG2 H 1 2.071 0.008 . . . . . . 77 MET HG2 . 25970 1 934 . 1 1 77 77 MET HG3 H 1 2.344 0.008 . . . . . . 77 MET HG3 . 25970 1 935 . 1 1 77 77 MET HE1 H 1 1.966 0.008 . . . . . . 77 MET QE . 25970 1 936 . 1 1 77 77 MET HE2 H 1 1.966 0.008 . . . . . . 77 MET QE . 25970 1 937 . 1 1 77 77 MET HE3 H 1 1.966 0.008 . . . . . . 77 MET QE . 25970 1 938 . 1 1 77 77 MET C C 13 174.624 0.19 . . . . . . 77 MET C . 25970 1 939 . 1 1 77 77 MET CA C 13 57.789 0.19 . . . . . . 77 MET CA . 25970 1 940 . 1 1 77 77 MET CB C 13 31.875 0.19 . . . . . . 77 MET CB . 25970 1 941 . 1 1 77 77 MET CG C 13 31.096 0.19 . . . . . . 77 MET CG . 25970 1 942 . 1 1 77 77 MET CE C 13 16.016 0.19 . . . . . . 77 MET CE . 25970 1 943 . 1 1 77 77 MET N N 15 118.242 0.14 . . . . . . 77 MET N . 25970 1 944 . 1 1 78 78 LYS H H 1 7.893 0.008 . . . . . . 78 LYS H . 25970 1 945 . 1 1 78 78 LYS HA H 1 3.959 0.008 . . . . . . 78 LYS HA . 25970 1 946 . 1 1 78 78 LYS HB2 H 1 1.896 0.008 . . . . . . 78 LYS QB . 25970 1 947 . 1 1 78 78 LYS HB3 H 1 1.896 0.008 . . . . . . 78 LYS QB . 25970 1 948 . 1 1 78 78 LYS HG2 H 1 1.483 0.008 . . . . . . 78 LYS QG . 25970 1 949 . 1 1 78 78 LYS HG3 H 1 1.483 0.008 . . . . . . 78 LYS QG . 25970 1 950 . 1 1 78 78 LYS HE2 H 1 2.799 0.008 . . . . . . 78 LYS QE . 25970 1 951 . 1 1 78 78 LYS HE3 H 1 2.799 0.008 . . . . . . 78 LYS QE . 25970 1 952 . 1 1 78 78 LYS C C 13 176.613 0.19 . . . . . . 78 LYS C . 25970 1 953 . 1 1 78 78 LYS CA C 13 57.021 0.19 . . . . . . 78 LYS CA . 25970 1 954 . 1 1 78 78 LYS CB C 13 29.687 0.19 . . . . . . 78 LYS CB . 25970 1 955 . 1 1 78 78 LYS CG C 13 22.382 0.19 . . . . . . 78 LYS CG . 25970 1 956 . 1 1 78 78 LYS CE C 13 39.160 0.19 . . . . . . 78 LYS CE . 25970 1 957 . 1 1 78 78 LYS N N 15 119.060 0.14 . . . . . . 78 LYS N . 25970 1 958 . 1 1 79 79 THR H H 1 8.073 0.008 . . . . . . 79 THR H . 25970 1 959 . 1 1 79 79 THR HA H 1 3.868 0.008 . . . . . . 79 THR HA . 25970 1 960 . 1 1 79 79 THR HB H 1 4.148 0.008 . . . . . . 79 THR HB . 25970 1 961 . 1 1 79 79 THR HG21 H 1 1.139 0.008 . . . . . . 79 THR QG2 . 25970 1 962 . 1 1 79 79 THR HG22 H 1 1.139 0.008 . . . . . . 79 THR QG2 . 25970 1 963 . 1 1 79 79 THR HG23 H 1 1.139 0.008 . . . . . . 79 THR QG2 . 25970 1 964 . 1 1 79 79 THR C C 13 173.525 0.19 . . . . . . 79 THR C . 25970 1 965 . 1 1 79 79 THR CA C 13 63.327 0.19 . . . . . . 79 THR CA . 25970 1 966 . 1 1 79 79 THR CB C 13 65.891 0.19 . . . . . . 79 THR CB . 25970 1 967 . 1 1 79 79 THR CG2 C 13 19.264 0.19 . . . . . . 79 THR CG2 . 25970 1 968 . 1 1 79 79 THR N N 15 115.304 0.14 . . . . . . 79 THR N . 25970 1 969 . 1 1 80 80 TYR H H 1 8.245 0.008 . . . . . . 80 TYR H . 25970 1 970 . 1 1 80 80 TYR HA H 1 3.955 0.008 . . . . . . 80 TYR HA . 25970 1 971 . 1 1 80 80 TYR HB2 H 1 2.958 0.008 . . . . . . 80 TYR HB2 . 25970 1 972 . 1 1 80 80 TYR HB3 H 1 2.994 0.008 . . . . . . 80 TYR HB3 . 25970 1 973 . 1 1 80 80 TYR HD1 H 1 6.904 0.008 . . . . . . 80 TYR QD . 25970 1 974 . 1 1 80 80 TYR HD2 H 1 6.904 0.008 . . . . . . 80 TYR QD . 25970 1 975 . 1 1 80 80 TYR HE1 H 1 6.633 0.008 . . . . . . 80 TYR QE . 25970 1 976 . 1 1 80 80 TYR HE2 H 1 6.633 0.008 . . . . . . 80 TYR QE . 25970 1 977 . 1 1 80 80 TYR C C 13 174.599 0.19 . . . . . . 80 TYR C . 25970 1 978 . 1 1 80 80 TYR CA C 13 59.238 0.19 . . . . . . 80 TYR CA . 25970 1 979 . 1 1 80 80 TYR CB C 13 36.209 0.19 . . . . . . 80 TYR CB . 25970 1 980 . 1 1 80 80 TYR CD1 C 13 130.279 0.19 . . . . . . 80 TYR CD1 . 25970 1 981 . 1 1 80 80 TYR CD2 C 13 130.279 0.19 . . . . . . 80 TYR CD2 . 25970 1 982 . 1 1 80 80 TYR CE1 C 13 115.079 0.19 . . . . . . 80 TYR CE1 . 25970 1 983 . 1 1 80 80 TYR CE2 C 13 115.079 0.19 . . . . . . 80 TYR CE2 . 25970 1 984 . 1 1 80 80 TYR N N 15 123.507 0.14 . . . . . . 80 TYR N . 25970 1 985 . 1 1 81 81 ARG H H 1 8.233 0.008 . . . . . . 81 ARG H . 25970 1 986 . 1 1 81 81 ARG HA H 1 4.037 0.008 . . . . . . 81 ARG HA . 25970 1 987 . 1 1 81 81 ARG HB2 H 1 1.851 0.008 . . . . . . 81 ARG HB2 . 25970 1 988 . 1 1 81 81 ARG HB3 H 1 1.951 0.008 . . . . . . 81 ARG HB3 . 25970 1 989 . 1 1 81 81 ARG HG2 H 1 1.828 0.008 . . . . . . 81 ARG HG2 . 25970 1 990 . 1 1 81 81 ARG HG3 H 1 1.677 0.008 . . . . . . 81 ARG HG3 . 25970 1 991 . 1 1 81 81 ARG HD3 H 1 3.038 0.008 . . . . . . 81 ARG HD3 . 25970 1 992 . 1 1 81 81 ARG HE H 1 7.174 0.008 . . . . . . 81 ARG HE . 25970 1 993 . 1 1 81 81 ARG C C 13 175.625 0.19 . . . . . . 81 ARG C . 25970 1 994 . 1 1 81 81 ARG CA C 13 55.897 0.19 . . . . . . 81 ARG CA . 25970 1 995 . 1 1 81 81 ARG CB C 13 27.773 0.19 . . . . . . 81 ARG CB . 25970 1 996 . 1 1 81 81 ARG CG C 13 25.072 0.19 . . . . . . 81 ARG CG . 25970 1 997 . 1 1 81 81 ARG CD C 13 40.577 0.19 . . . . . . 81 ARG CD . 25970 1 998 . 1 1 81 81 ARG N N 15 118.227 0.14 . . . . . . 81 ARG N . 25970 1 999 . 1 1 81 81 ARG NE N 15 84.239 0.14 . . . . . . 81 ARG NE . 25970 1 1000 . 1 1 82 82 GLN H H 1 7.807 0.008 . . . . . . 82 GLN H . 25970 1 1001 . 1 1 82 82 GLN HA H 1 4.031 0.008 . . . . . . 82 GLN HA . 25970 1 1002 . 1 1 82 82 GLN HB2 H 1 2.074 0.008 . . . . . . 82 GLN QB . 25970 1 1003 . 1 1 82 82 GLN HB3 H 1 2.074 0.008 . . . . . . 82 GLN QB . 25970 1 1004 . 1 1 82 82 GLN HG2 H 1 2.305 0.008 . . . . . . 82 GLN HG2 . 25970 1 1005 . 1 1 82 82 GLN HG3 H 1 2.431 0.008 . . . . . . 82 GLN HG3 . 25970 1 1006 . 1 1 82 82 GLN HE21 H 1 6.795 0.008 . . . . . . 82 GLN HE21 . 25970 1 1007 . 1 1 82 82 GLN HE22 H 1 7.372 0.008 . . . . . . 82 GLN HE22 . 25970 1 1008 . 1 1 82 82 GLN C C 13 174.812 0.19 . . . . . . 82 GLN C . 25970 1 1009 . 1 1 82 82 GLN CA C 13 55.069 0.19 . . . . . . 82 GLN CA . 25970 1 1010 . 1 1 82 82 GLN CB C 13 25.754 0.19 . . . . . . 82 GLN CB . 25970 1 1011 . 1 1 82 82 GLN CG C 13 31.347 0.19 . . . . . . 82 GLN CG . 25970 1 1012 . 1 1 82 82 GLN N N 15 118.054 0.14 . . . . . . 82 GLN N . 25970 1 1013 . 1 1 82 82 GLN NE2 N 15 111.547 0.14 . . . . . . 82 GLN NE2 . 25970 1 1014 . 1 1 83 83 ARG H H 1 7.731 0.008 . . . . . . 83 ARG H . 25970 1 1015 . 1 1 83 83 ARG HA H 1 4.015 0.008 . . . . . . 83 ARG HA . 25970 1 1016 . 1 1 83 83 ARG HB2 H 1 1.692 0.008 . . . . . . 83 ARG QB . 25970 1 1017 . 1 1 83 83 ARG HB3 H 1 1.692 0.008 . . . . . . 83 ARG QB . 25970 1 1018 . 1 1 83 83 ARG HG2 H 1 1.484 0.008 . . . . . . 83 ARG QG . 25970 1 1019 . 1 1 83 83 ARG HG3 H 1 1.484 0.008 . . . . . . 83 ARG QG . 25970 1 1020 . 1 1 83 83 ARG HD2 H 1 2.948 0.008 . . . . . . 83 ARG QD . 25970 1 1021 . 1 1 83 83 ARG HD3 H 1 2.948 0.008 . . . . . . 83 ARG QD . 25970 1 1022 . 1 1 83 83 ARG CA C 13 55.103 0.19 . . . . . . 83 ARG CA . 25970 1 1023 . 1 1 83 83 ARG CB C 13 27.489 0.19 . . . . . . 83 ARG CB . 25970 1 1024 . 1 1 83 83 ARG CG C 13 24.338 0.19 . . . . . . 83 ARG CG . 25970 1 1025 . 1 1 83 83 ARG CD C 13 40.720 0.19 . . . . . . 83 ARG CD . 25970 1 1026 . 1 1 83 83 ARG N N 15 119.467 0.14 . . . . . . 83 ARG N . 25970 1 1027 . 1 1 84 84 GLU H H 1 7.897 0.008 . . . . . . 84 GLU H . 25970 1 1028 . 1 1 84 84 GLU HA H 1 3.978 0.008 . . . . . . 84 GLU HA . 25970 1 1029 . 1 1 84 84 GLU HB2 H 1 1.835 0.008 . . . . . . 84 GLU HB2 . 25970 1 1030 . 1 1 84 84 GLU HB3 H 1 1.917 0.008 . . . . . . 84 GLU HB3 . 25970 1 1031 . 1 1 84 84 GLU HG2 H 1 2.120 0.008 . . . . . . 84 GLU HG2 . 25970 1 1032 . 1 1 84 84 GLU HG3 H 1 2.016 0.008 . . . . . . 84 GLU HG3 . 25970 1 1033 . 1 1 84 84 GLU CA C 13 59.921 0.19 . . . . . . 84 GLU CA . 25970 1 1034 . 1 1 84 84 GLU CB C 13 27.328 0.19 . . . . . . 84 GLU CB . 25970 1 1035 . 1 1 84 84 GLU CG C 13 33.494 0.19 . . . . . . 84 GLU CG . 25970 1 1036 . 1 1 84 84 GLU N N 15 120.021 0.14 . . . . . . 84 GLU N . 25970 1 1037 . 1 1 85 85 LYS H H 1 8.500 0.008 . . . . . . 85 LYS H . 25970 1 1038 . 1 1 85 85 LYS N N 15 120.428 0.14 . . . . . . 85 LYS N . 25970 1 1039 . 1 1 86 86 GLN H H 1 8.215 0.008 . . . . . . 86 GLN H . 25970 1 1040 . 1 1 86 86 GLN HA H 1 4.126 0.008 . . . . . . 86 GLN HA . 25970 1 1041 . 1 1 86 86 GLN HB2 H 1 1.968 0.008 . . . . . . 86 GLN QB . 25970 1 1042 . 1 1 86 86 GLN HB3 H 1 1.968 0.008 . . . . . . 86 GLN QB . 25970 1 1043 . 1 1 86 86 GLN HE21 H 1 7.448 0.008 . . . . . . 86 GLN HE21 . 25970 1 1044 . 1 1 86 86 GLN HE22 H 1 6.770 0.008 . . . . . . 86 GLN HE22 . 25970 1 1045 . 1 1 86 86 GLN C C 13 174.052 0.19 . . . . . . 86 GLN C . 25970 1 1046 . 1 1 86 86 GLN CA C 13 53.476 0.19 . . . . . . 86 GLN CA . 25970 1 1047 . 1 1 86 86 GLN CB C 13 27.482 0.19 . . . . . . 86 GLN CB . 25970 1 1048 . 1 1 86 86 GLN N N 15 117.072 0.14 . . . . . . 86 GLN N . 25970 1 1049 . 1 1 86 86 GLN NE2 N 15 112.412 0.14 . . . . . . 86 GLN NE2 . 25970 1 1050 . 1 1 87 87 GLY H H 1 8.188 0.008 . . . . . . 87 GLY H . 25970 1 1051 . 1 1 87 87 GLY HA2 H 1 3.917 0.008 . . . . . . 87 GLY QA . 25970 1 1052 . 1 1 87 87 GLY HA3 H 1 3.917 0.008 . . . . . . 87 GLY QA . 25970 1 1053 . 1 1 87 87 GLY C C 13 171.580 0.19 . . . . . . 87 GLY C . 25970 1 1054 . 1 1 87 87 GLY CA C 13 42.729 0.19 . . . . . . 87 GLY CA . 25970 1 1055 . 1 1 87 87 GLY N N 15 109.075 0.14 . . . . . . 87 GLY N . 25970 1 1056 . 1 1 88 88 THR H H 1 7.937 0.008 . . . . . . 88 THR H . 25970 1 1057 . 1 1 88 88 THR HA H 1 4.216 0.008 . . . . . . 88 THR HA . 25970 1 1058 . 1 1 88 88 THR HB H 1 4.721 0.008 . . . . . . 88 THR HB . 25970 1 1059 . 1 1 88 88 THR HG21 H 1 1.097 0.008 . . . . . . 88 THR QG2 . 25970 1 1060 . 1 1 88 88 THR HG22 H 1 1.097 0.008 . . . . . . 88 THR QG2 . 25970 1 1061 . 1 1 88 88 THR HG23 H 1 1.097 0.008 . . . . . . 88 THR QG2 . 25970 1 1062 . 1 1 88 88 THR C C 13 171.742 0.19 . . . . . . 88 THR C . 25970 1 1063 . 1 1 88 88 THR CA C 13 59.357 0.19 . . . . . . 88 THR CA . 25970 1 1064 . 1 1 88 88 THR CB C 13 67.214 0.19 . . . . . . 88 THR CB . 25970 1 1065 . 1 1 88 88 THR CG2 C 13 18.888 0.19 . . . . . . 88 THR CG2 . 25970 1 1066 . 1 1 88 88 THR N N 15 113.955 0.14 . . . . . . 88 THR N . 25970 1 1067 . 1 1 89 89 LYS H H 1 8.259 0.008 . . . . . . 89 LYS H . 25970 1 1068 . 1 1 89 89 LYS HA H 1 4.276 0.008 . . . . . . 89 LYS HA . 25970 1 1069 . 1 1 89 89 LYS HB2 H 1 1.661 0.008 . . . . . . 89 LYS HB2 . 25970 1 1070 . 1 1 89 89 LYS HB3 H 1 1.726 0.008 . . . . . . 89 LYS HB3 . 25970 1 1071 . 1 1 89 89 LYS C C 13 173.757 0.19 . . . . . . 89 LYS C . 25970 1 1072 . 1 1 89 89 LYS CA C 13 53.580 0.19 . . . . . . 89 LYS CA . 25970 1 1073 . 1 1 89 89 LYS CB C 13 30.314 0.19 . . . . . . 89 LYS CB . 25970 1 1074 . 1 1 89 89 LYS N N 15 124.185 0.14 . . . . . . 89 LYS N . 25970 1 1075 . 1 1 90 90 VAL H H 1 8.103 0.008 . . . . . . 90 VAL H . 25970 1 1076 . 1 1 90 90 VAL HA H 1 3.967 0.008 . . . . . . 90 VAL HA . 25970 1 1077 . 1 1 90 90 VAL HB H 1 1.944 0.008 . . . . . . 90 VAL HB . 25970 1 1078 . 1 1 90 90 VAL HG11 H 1 0.830 0.008 . . . . . . 90 VAL QG1 . 25970 1 1079 . 1 1 90 90 VAL HG12 H 1 0.830 0.008 . . . . . . 90 VAL QG1 . 25970 1 1080 . 1 1 90 90 VAL HG13 H 1 0.830 0.008 . . . . . . 90 VAL QG1 . 25970 1 1081 . 1 1 90 90 VAL HG21 H 1 0.829 0.008 . . . . . . 90 VAL QG2 . 25970 1 1082 . 1 1 90 90 VAL HG22 H 1 0.829 0.008 . . . . . . 90 VAL QG2 . 25970 1 1083 . 1 1 90 90 VAL HG23 H 1 0.829 0.008 . . . . . . 90 VAL QG2 . 25970 1 1084 . 1 1 90 90 VAL C C 13 173.187 0.19 . . . . . . 90 VAL C . 25970 1 1085 . 1 1 90 90 VAL CA C 13 59.319 0.19 . . . . . . 90 VAL CA . 25970 1 1086 . 1 1 90 90 VAL CB C 13 29.974 0.19 . . . . . . 90 VAL CB . 25970 1 1087 . 1 1 90 90 VAL CG1 C 13 18.082 0.19 . . . . . . 90 VAL CG1 . 25970 1 1088 . 1 1 90 90 VAL CG2 C 13 18.480 0.19 . . . . . . 90 VAL CG2 . 25970 1 1089 . 1 1 90 90 VAL N N 15 122.111 0.14 . . . . . . 90 VAL N . 25970 1 1090 . 1 1 91 91 ALA H H 1 8.327 0.008 . . . . . . 91 ALA H . 25970 1 1091 . 1 1 91 91 ALA HA H 1 4.199 0.008 . . . . . . 91 ALA HA . 25970 1 1092 . 1 1 91 91 ALA HB1 H 1 1.277 0.008 . . . . . . 91 ALA QB . 25970 1 1093 . 1 1 91 91 ALA HB2 H 1 1.277 0.008 . . . . . . 91 ALA QB . 25970 1 1094 . 1 1 91 91 ALA HB3 H 1 1.277 0.008 . . . . . . 91 ALA QB . 25970 1 1095 . 1 1 91 91 ALA C C 13 174.695 0.19 . . . . . . 91 ALA C . 25970 1 1096 . 1 1 91 91 ALA CA C 13 49.551 0.19 . . . . . . 91 ALA CA . 25970 1 1097 . 1 1 91 91 ALA CB C 13 16.567 0.19 . . . . . . 91 ALA CB . 25970 1 1098 . 1 1 91 91 ALA N N 15 127.842 0.14 . . . . . . 91 ALA N . 25970 1 1099 . 1 1 92 92 ASP H H 1 8.223 0.008 . . . . . . 92 ASP H . 25970 1 1100 . 1 1 92 92 ASP HA H 1 4.511 0.008 . . . . . . 92 ASP HA . 25970 1 1101 . 1 1 92 92 ASP HB2 H 1 2.625 0.008 . . . . . . 92 ASP HB2 . 25970 1 1102 . 1 1 92 92 ASP HB3 H 1 2.555 0.008 . . . . . . 92 ASP HB3 . 25970 1 1103 . 1 1 92 92 ASP C C 13 173.869 0.19 . . . . . . 92 ASP C . 25970 1 1104 . 1 1 92 92 ASP CA C 13 51.439 0.19 . . . . . . 92 ASP CA . 25970 1 1105 . 1 1 92 92 ASP CB C 13 38.509 0.19 . . . . . . 92 ASP CB . 25970 1 1106 . 1 1 92 92 ASP N N 15 120.170 0.14 . . . . . . 92 ASP N . 25970 1 1107 . 1 1 93 93 SER H H 1 8.272 0.008 . . . . . . 93 SER H . 25970 1 1108 . 1 1 93 93 SER HA H 1 4.349 0.008 . . . . . . 93 SER HA . 25970 1 1109 . 1 1 93 93 SER HB3 H 1 3.770 0.008 . . . . . . 93 SER HB3 . 25970 1 1110 . 1 1 93 93 SER C C 13 172.187 0.19 . . . . . . 93 SER C . 25970 1 1111 . 1 1 93 93 SER CA C 13 55.793 0.19 . . . . . . 93 SER CA . 25970 1 1112 . 1 1 93 93 SER CB C 13 60.934 0.19 . . . . . . 93 SER CB . 25970 1 1113 . 1 1 93 93 SER N N 15 116.914 0.14 . . . . . . 93 SER N . 25970 1 1114 . 1 1 94 94 SER H H 1 8.329 0.008 . . . . . . 94 SER H . 25970 1 1115 . 1 1 94 94 SER HA H 1 4.340 0.008 . . . . . . 94 SER HA . 25970 1 1116 . 1 1 94 94 SER HB2 H 1 3.858 0.008 . . . . . . 94 SER HB2 . 25970 1 1117 . 1 1 94 94 SER C C 13 171.807 0.19 . . . . . . 94 SER C . 25970 1 1118 . 1 1 94 94 SER CA C 13 56.262 0.19 . . . . . . 94 SER CA . 25970 1 1119 . 1 1 94 94 SER CB C 13 60.935 0.19 . . . . . . 94 SER CB . 25970 1 1120 . 1 1 94 94 SER N N 15 117.942 0.14 . . . . . . 94 SER N . 25970 1 1121 . 1 1 95 95 LYS H H 1 8.076 0.008 . . . . . . 95 LYS H . 25970 1 1122 . 1 1 95 95 LYS HA H 1 4.296 0.008 . . . . . . 95 LYS HA . 25970 1 1123 . 1 1 95 95 LYS HB3 H 1 1.681 0.008 . . . . . . 95 LYS HB3 . 25970 1 1124 . 1 1 95 95 LYS HG3 H 1 1.327 0.008 . . . . . . 95 LYS HG3 . 25970 1 1125 . 1 1 95 95 LYS C C 13 173.981 0.19 . . . . . . 95 LYS C . 25970 1 1126 . 1 1 95 95 LYS CA C 13 53.496 0.19 . . . . . . 95 LYS CA . 25970 1 1127 . 1 1 95 95 LYS CB C 13 30.433 0.19 . . . . . . 95 LYS CB . 25970 1 1128 . 1 1 95 95 LYS CG C 13 22.023 0.19 . . . . . . 95 LYS CG . 25970 1 1129 . 1 1 95 95 LYS N N 15 122.575 0.14 . . . . . . 95 LYS N . 25970 1 1130 . 1 1 96 96 GLY H H 1 8.177 0.008 . . . . . . 96 GLY H . 25970 1 1131 . 1 1 96 96 GLY HA2 H 1 3.952 0.008 . . . . . . 96 GLY HA2 . 25970 1 1132 . 1 1 96 96 GLY HA3 H 1 4.071 0.008 . . . . . . 96 GLY HA3 . 25970 1 1133 . 1 1 96 96 GLY CA C 13 42.037 0.19 . . . . . . 96 GLY CA . 25970 1 1134 . 1 1 96 96 GLY N N 15 109.829 0.14 . . . . . . 96 GLY N . 25970 1 1135 . 1 1 97 97 PRO HA H 1 4.311 0.008 . . . . . . 97 PRO HA . 25970 1 1136 . 1 1 97 97 PRO HB2 H 1 2.168 0.008 . . . . . . 97 PRO HB2 . 25970 1 1137 . 1 1 97 97 PRO HG2 H 1 1.908 0.008 . . . . . . 97 PRO HG2 . 25970 1 1138 . 1 1 97 97 PRO HD2 H 1 3.515 0.008 . . . . . . 97 PRO HD2 . 25970 1 1139 . 1 1 97 97 PRO HD3 H 1 3.546 0.008 . . . . . . 97 PRO HD3 . 25970 1 1140 . 1 1 97 97 PRO CA C 13 60.558 0.19 . . . . . . 97 PRO CA . 25970 1 1141 . 1 1 97 97 PRO CB C 13 29.399 0.19 . . . . . . 97 PRO CB . 25970 1 1142 . 1 1 97 97 PRO CG C 13 24.409 0.19 . . . . . . 97 PRO CG . 25970 1 1143 . 1 1 97 97 PRO CD C 13 47.019 0.19 . . . . . . 97 PRO CD . 25970 1 1144 . 1 1 98 98 ASP H H 1 8.333 0.008 . . . . . . 98 ASP H . 25970 1 1145 . 1 1 98 98 ASP HA H 1 4.472 0.008 . . . . . . 98 ASP HA . 25970 1 1146 . 1 1 98 98 ASP HB2 H 1 2.544 0.008 . . . . . . 98 ASP HB2 . 25970 1 1147 . 1 1 98 98 ASP HB3 H 1 2.644 0.008 . . . . . . 98 ASP HB3 . 25970 1 1148 . 1 1 98 98 ASP C C 13 173.966 0.19 . . . . . . 98 ASP C . 25970 1 1149 . 1 1 98 98 ASP CA C 13 52.414 0.19 . . . . . . 98 ASP CA . 25970 1 1150 . 1 1 98 98 ASP CB C 13 38.295 0.19 . . . . . . 98 ASP CB . 25970 1 1151 . 1 1 98 98 ASP N N 15 120.167 0.14 . . . . . . 98 ASP N . 25970 1 1152 . 1 1 99 99 GLU H H 1 8.246 0.008 . . . . . . 99 GLU H . 25970 1 1153 . 1 1 99 99 GLU HA H 1 4.000 0.008 . . . . . . 99 GLU HA . 25970 1 1154 . 1 1 99 99 GLU HB2 H 1 1.924 0.008 . . . . . . 99 GLU HB2 . 25970 1 1155 . 1 1 99 99 GLU HB3 H 1 1.845 0.008 . . . . . . 99 GLU HB3 . 25970 1 1156 . 1 1 99 99 GLU HG2 H 1 2.164 0.008 . . . . . . 99 GLU QG . 25970 1 1157 . 1 1 99 99 GLU HG3 H 1 2.164 0.008 . . . . . . 99 GLU QG . 25970 1 1158 . 1 1 99 99 GLU C C 13 174.603 0.19 . . . . . . 99 GLU C . 25970 1 1159 . 1 1 99 99 GLU CA C 13 55.456 0.19 . . . . . . 99 GLU CA . 25970 1 1160 . 1 1 99 99 GLU CB C 13 27.169 0.19 . . . . . . 99 GLU CB . 25970 1 1161 . 1 1 99 99 GLU CG C 13 33.491 0.19 . . . . . . 99 GLU CG . 25970 1 1162 . 1 1 99 99 GLU N N 15 121.782 0.14 . . . . . . 99 GLU N . 25970 1 1163 . 1 1 100 100 ALA H H 1 8.153 0.008 . . . . . . 100 ALA H . 25970 1 1164 . 1 1 100 100 ALA HA H 1 4.087 0.008 . . . . . . 100 ALA HA . 25970 1 1165 . 1 1 100 100 ALA HB1 H 1 1.326 0.008 . . . . . . 100 ALA QB . 25970 1 1166 . 1 1 100 100 ALA HB2 H 1 1.326 0.008 . . . . . . 100 ALA QB . 25970 1 1167 . 1 1 100 100 ALA HB3 H 1 1.326 0.008 . . . . . . 100 ALA QB . 25970 1 1168 . 1 1 100 100 ALA C C 13 176.512 0.19 . . . . . . 100 ALA C . 25970 1 1169 . 1 1 100 100 ALA CA C 13 51.065 0.19 . . . . . . 100 ALA CA . 25970 1 1170 . 1 1 100 100 ALA CB C 13 15.853 0.19 . . . . . . 100 ALA CB . 25970 1 1171 . 1 1 100 100 ALA N N 15 122.759 0.14 . . . . . . 100 ALA N . 25970 1 1172 . 1 1 101 101 LYS H H 1 7.853 0.008 . . . . . . 101 LYS H . 25970 1 1173 . 1 1 101 101 LYS HA H 1 4.079 0.008 . . . . . . 101 LYS HA . 25970 1 1174 . 1 1 101 101 LYS HB2 H 1 1.761 0.008 . . . . . . 101 LYS HB2 . 25970 1 1175 . 1 1 101 101 LYS HG2 H 1 1.387 0.008 . . . . . . 101 LYS HG2 . 25970 1 1176 . 1 1 101 101 LYS HG3 H 1 1.319 0.008 . . . . . . 101 LYS HG3 . 25970 1 1177 . 1 1 101 101 LYS HD2 H 1 1.578 0.008 . . . . . . 101 LYS QD . 25970 1 1178 . 1 1 101 101 LYS HD3 H 1 1.578 0.008 . . . . . . 101 LYS QD . 25970 1 1179 . 1 1 101 101 LYS HE2 H 1 2.856 0.008 . . . . . . 101 LYS QE . 25970 1 1180 . 1 1 101 101 LYS HE3 H 1 2.856 0.008 . . . . . . 101 LYS QE . 25970 1 1181 . 1 1 101 101 LYS C C 13 175.072 0.19 . . . . . . 101 LYS C . 25970 1 1182 . 1 1 101 101 LYS CA C 13 54.990 0.19 . . . . . . 101 LYS CA . 25970 1 1183 . 1 1 101 101 LYS CB C 13 29.950 0.19 . . . . . . 101 LYS CB . 25970 1 1184 . 1 1 101 101 LYS CG C 13 22.049 0.19 . . . . . . 101 LYS CG . 25970 1 1185 . 1 1 101 101 LYS CD C 13 26.435 0.19 . . . . . . 101 LYS CD . 25970 1 1186 . 1 1 101 101 LYS CE C 13 39.252 0.19 . . . . . . 101 LYS CE . 25970 1 1187 . 1 1 101 101 LYS N N 15 119.630 0.14 . . . . . . 101 LYS N . 25970 1 1188 . 1 1 102 102 ILE H H 1 7.785 0.008 . . . . . . 102 ILE H . 25970 1 1189 . 1 1 102 102 ILE HA H 1 3.829 0.008 . . . . . . 102 ILE HA . 25970 1 1190 . 1 1 102 102 ILE HB H 1 1.788 0.008 . . . . . . 102 ILE HB . 25970 1 1191 . 1 1 102 102 ILE HG12 H 1 1.435 0.008 . . . . . . 102 ILE HG12 . 25970 1 1192 . 1 1 102 102 ILE HG13 H 1 1.097 0.008 . . . . . . 102 ILE HG13 . 25970 1 1193 . 1 1 102 102 ILE HG21 H 1 0.801 0.008 . . . . . . 102 ILE QG2 . 25970 1 1194 . 1 1 102 102 ILE HG22 H 1 0.801 0.008 . . . . . . 102 ILE QG2 . 25970 1 1195 . 1 1 102 102 ILE HG23 H 1 0.801 0.008 . . . . . . 102 ILE QG2 . 25970 1 1196 . 1 1 102 102 ILE HD11 H 1 0.723 0.008 . . . . . . 102 ILE QD1 . 25970 1 1197 . 1 1 102 102 ILE HD12 H 1 0.723 0.008 . . . . . . 102 ILE QD1 . 25970 1 1198 . 1 1 102 102 ILE HD13 H 1 0.723 0.008 . . . . . . 102 ILE QD1 . 25970 1 1199 . 1 1 102 102 ILE C C 13 174.528 0.19 . . . . . . 102 ILE C . 25970 1 1200 . 1 1 102 102 ILE CA C 13 59.816 0.19 . . . . . . 102 ILE CA . 25970 1 1201 . 1 1 102 102 ILE CB C 13 35.437 0.19 . . . . . . 102 ILE CB . 25970 1 1202 . 1 1 102 102 ILE CG1 C 13 25.410 0.19 . . . . . . 102 ILE CG1 . 25970 1 1203 . 1 1 102 102 ILE CG2 C 13 14.743 0.19 . . . . . . 102 ILE CG2 . 25970 1 1204 . 1 1 102 102 ILE CD1 C 13 10.012 0.19 . . . . . . 102 ILE CD1 . 25970 1 1205 . 1 1 102 102 ILE N N 15 120.413 0.14 . . . . . . 102 ILE N . 25970 1 1206 . 1 1 103 103 LYS H H 1 8.062 0.008 . . . . . . 103 LYS H . 25970 1 1207 . 1 1 103 103 LYS HA H 1 4.005 0.008 . . . . . . 103 LYS HA . 25970 1 1208 . 1 1 103 103 LYS HB2 H 1 1.714 0.008 . . . . . . 103 LYS HB2 . 25970 1 1209 . 1 1 103 103 LYS HG2 H 1 1.399 0.008 . . . . . . 103 LYS HG2 . 25970 1 1210 . 1 1 103 103 LYS HG3 H 1 1.299 0.008 . . . . . . 103 LYS HG3 . 25970 1 1211 . 1 1 103 103 LYS HD2 H 1 1.571 0.008 . . . . . . 103 LYS QD . 25970 1 1212 . 1 1 103 103 LYS HD3 H 1 1.571 0.008 . . . . . . 103 LYS QD . 25970 1 1213 . 1 1 103 103 LYS HE2 H 1 2.872 0.008 . . . . . . 103 LYS QE . 25970 1 1214 . 1 1 103 103 LYS HE3 H 1 2.872 0.008 . . . . . . 103 LYS QE . 25970 1 1215 . 1 1 103 103 LYS C C 13 174.678 0.19 . . . . . . 103 LYS C . 25970 1 1216 . 1 1 103 103 LYS CA C 13 55.352 0.19 . . . . . . 103 LYS CA . 25970 1 1217 . 1 1 103 103 LYS CB C 13 30.015 0.19 . . . . . . 103 LYS CB . 25970 1 1218 . 1 1 103 103 LYS CG C 13 22.311 0.19 . . . . . . 103 LYS CG . 25970 1 1219 . 1 1 103 103 LYS CD C 13 26.434 0.19 . . . . . . 103 LYS CD . 25970 1 1220 . 1 1 103 103 LYS CE C 13 39.361 0.19 . . . . . . 103 LYS CE . 25970 1 1221 . 1 1 103 103 LYS N N 15 122.617 0.14 . . . . . . 103 LYS N . 25970 1 1222 . 1 1 104 104 ALA H H 1 7.860 0.008 . . . . . . 104 ALA H . 25970 1 1223 . 1 1 104 104 ALA HA H 1 4.125 0.008 . . . . . . 104 ALA HA . 25970 1 1224 . 1 1 104 104 ALA HB1 H 1 1.319 0.008 . . . . . . 104 ALA QB . 25970 1 1225 . 1 1 104 104 ALA HB2 H 1 1.319 0.008 . . . . . . 104 ALA QB . 25970 1 1226 . 1 1 104 104 ALA HB3 H 1 1.319 0.008 . . . . . . 104 ALA QB . 25970 1 1227 . 1 1 104 104 ALA C C 13 176.144 0.19 . . . . . . 104 ALA C . 25970 1 1228 . 1 1 104 104 ALA CA C 13 50.643 0.19 . . . . . . 104 ALA CA . 25970 1 1229 . 1 1 104 104 ALA CB C 13 15.999 0.19 . . . . . . 104 ALA CB . 25970 1 1230 . 1 1 104 104 ALA N N 15 122.308 0.14 . . . . . . 104 ALA N . 25970 1 1231 . 1 1 105 105 LEU H H 1 7.816 0.008 . . . . . . 105 LEU H . 25970 1 1232 . 1 1 105 105 LEU HA H 1 4.117 0.008 . . . . . . 105 LEU HA . 25970 1 1233 . 1 1 105 105 LEU HB3 H 1 1.633 0.008 . . . . . . 105 LEU HB3 . 25970 1 1234 . 1 1 105 105 LEU HG H 1 1.450 0.008 . . . . . . 105 LEU HG . 25970 1 1235 . 1 1 105 105 LEU HD11 H 1 0.766 0.008 . . . . . . 105 LEU QD1 . 25970 1 1236 . 1 1 105 105 LEU HD12 H 1 0.766 0.008 . . . . . . 105 LEU QD1 . 25970 1 1237 . 1 1 105 105 LEU HD13 H 1 0.766 0.008 . . . . . . 105 LEU QD1 . 25970 1 1238 . 1 1 105 105 LEU HD21 H 1 0.804 0.008 . . . . . . 105 LEU QD2 . 25970 1 1239 . 1 1 105 105 LEU HD22 H 1 0.804 0.008 . . . . . . 105 LEU QD2 . 25970 1 1240 . 1 1 105 105 LEU HD23 H 1 0.804 0.008 . . . . . . 105 LEU QD2 . 25970 1 1241 . 1 1 105 105 LEU C C 13 175.641 0.19 . . . . . . 105 LEU C . 25970 1 1242 . 1 1 105 105 LEU CA C 13 53.619 0.19 . . . . . . 105 LEU CA . 25970 1 1243 . 1 1 105 105 LEU CB C 13 39.397 0.19 . . . . . . 105 LEU CB . 25970 1 1244 . 1 1 105 105 LEU CD1 C 13 20.958 0.19 . . . . . . 105 LEU CD1 . 25970 1 1245 . 1 1 105 105 LEU CD2 C 13 22.199 0.19 . . . . . . 105 LEU CD2 . 25970 1 1246 . 1 1 105 105 LEU N N 15 119.827 0.14 . . . . . . 105 LEU N . 25970 1 1247 . 1 1 106 106 LEU H H 1 7.925 0.008 . . . . . . 106 LEU H . 25970 1 1248 . 1 1 106 106 LEU HA H 1 4.127 0.008 . . . . . . 106 LEU HA . 25970 1 1249 . 1 1 106 106 LEU HB2 H 1 1.642 0.008 . . . . . . 106 LEU HB2 . 25970 1 1250 . 1 1 106 106 LEU HB3 H 1 1.470 0.008 . . . . . . 106 LEU HB3 . 25970 1 1251 . 1 1 106 106 LEU HD11 H 1 0.788 0.008 . . . . . . 106 LEU QD1 . 25970 1 1252 . 1 1 106 106 LEU HD12 H 1 0.788 0.008 . . . . . . 106 LEU QD1 . 25970 1 1253 . 1 1 106 106 LEU HD13 H 1 0.788 0.008 . . . . . . 106 LEU QD1 . 25970 1 1254 . 1 1 106 106 LEU HD21 H 1 0.733 0.008 . . . . . . 106 LEU QD2 . 25970 1 1255 . 1 1 106 106 LEU HD22 H 1 0.733 0.008 . . . . . . 106 LEU QD2 . 25970 1 1256 . 1 1 106 106 LEU HD23 H 1 0.733 0.008 . . . . . . 106 LEU QD2 . 25970 1 1257 . 1 1 106 106 LEU C C 13 175.394 0.19 . . . . . . 106 LEU C . 25970 1 1258 . 1 1 106 106 LEU CA C 13 53.068 0.19 . . . . . . 106 LEU CA . 25970 1 1259 . 1 1 106 106 LEU CB C 13 39.456 0.19 . . . . . . 106 LEU CB . 25970 1 1260 . 1 1 106 106 LEU CD1 C 13 22.348 0.19 . . . . . . 106 LEU CD1 . 25970 1 1261 . 1 1 106 106 LEU CD2 C 13 20.668 0.19 . . . . . . 106 LEU CD2 . 25970 1 1262 . 1 1 106 106 LEU N N 15 120.985 0.14 . . . . . . 106 LEU N . 25970 1 1263 . 1 1 107 107 GLU H H 1 7.997 0.008 . . . . . . 107 GLU H . 25970 1 1264 . 1 1 107 107 GLU HA H 1 4.114 0.008 . . . . . . 107 GLU HA . 25970 1 1265 . 1 1 107 107 GLU HB2 H 1 1.910 0.008 . . . . . . 107 GLU HB2 . 25970 1 1266 . 1 1 107 107 GLU HG2 H 1 2.137 0.008 . . . . . . 107 GLU QG . 25970 1 1267 . 1 1 107 107 GLU HG3 H 1 2.137 0.008 . . . . . . 107 GLU QG . 25970 1 1268 . 1 1 107 107 GLU C C 13 174.156 0.19 . . . . . . 107 GLU C . 25970 1 1269 . 1 1 107 107 GLU CA C 13 54.401 0.19 . . . . . . 107 GLU CA . 25970 1 1270 . 1 1 107 107 GLU CB C 13 27.384 0.19 . . . . . . 107 GLU CB . 25970 1 1271 . 1 1 107 107 GLU CG C 13 33.595 0.19 . . . . . . 107 GLU CG . 25970 1 1272 . 1 1 107 107 GLU N N 15 120.039 0.14 . . . . . . 107 GLU N . 25970 1 1273 . 1 1 108 108 ARG H H 1 8.012 0.008 . . . . . . 108 ARG H . 25970 1 1274 . 1 1 108 108 ARG HA H 1 4.270 0.008 . . . . . . 108 ARG HA . 25970 1 1275 . 1 1 108 108 ARG HB2 H 1 1.746 0.008 . . . . . . 108 ARG HB2 . 25970 1 1276 . 1 1 108 108 ARG HB3 H 1 1.814 0.008 . . . . . . 108 ARG HB3 . 25970 1 1277 . 1 1 108 108 ARG HG2 H 1 1.537 0.008 . . . . . . 108 ARG QG . 25970 1 1278 . 1 1 108 108 ARG HG3 H 1 1.537 0.008 . . . . . . 108 ARG QG . 25970 1 1279 . 1 1 108 108 ARG HD2 H 1 3.069 0.008 . . . . . . 108 ARG QD . 25970 1 1280 . 1 1 108 108 ARG HD3 H 1 3.069 0.008 . . . . . . 108 ARG QD . 25970 1 1281 . 1 1 108 108 ARG C C 13 173.932 0.19 . . . . . . 108 ARG C . 25970 1 1282 . 1 1 108 108 ARG CA C 13 53.796 0.19 . . . . . . 108 ARG CA . 25970 1 1283 . 1 1 108 108 ARG CB C 13 27.912 0.19 . . . . . . 108 ARG CB . 25970 1 1284 . 1 1 108 108 ARG CG C 13 24.477 0.19 . . . . . . 108 ARG CG . 25970 1 1285 . 1 1 108 108 ARG CD C 13 40.689 0.19 . . . . . . 108 ARG CD . 25970 1 1286 . 1 1 108 108 ARG N N 15 120.451 0.14 . . . . . . 108 ARG N . 25970 1 1287 . 1 1 109 109 THR H H 1 8.031 0.008 . . . . . . 109 THR H . 25970 1 1288 . 1 1 109 109 THR HA H 1 4.219 0.008 . . . . . . 109 THR HA . 25970 1 1289 . 1 1 109 109 THR HB H 1 4.718 0.008 . . . . . . 109 THR HB . 25970 1 1290 . 1 1 109 109 THR HG21 H 1 1.109 0.008 . . . . . . 109 THR QG2 . 25970 1 1291 . 1 1 109 109 THR HG22 H 1 1.109 0.008 . . . . . . 109 THR QG2 . 25970 1 1292 . 1 1 109 109 THR HG23 H 1 1.109 0.008 . . . . . . 109 THR QG2 . 25970 1 1293 . 1 1 109 109 THR C C 13 172.444 0.19 . . . . . . 109 THR C . 25970 1 1294 . 1 1 109 109 THR CA C 13 59.528 0.19 . . . . . . 109 THR CA . 25970 1 1295 . 1 1 109 109 THR CB C 13 67.153 0.19 . . . . . . 109 THR CB . 25970 1 1296 . 1 1 109 109 THR CG2 C 13 18.990 0.19 . . . . . . 109 THR CG2 . 25970 1 1297 . 1 1 109 109 THR N N 15 113.983 0.14 . . . . . . 109 THR N . 25970 1 1298 . 1 1 110 110 GLY H H 1 8.266 0.008 . . . . . . 110 GLY H . 25970 1 1299 . 1 1 110 110 GLY HA2 H 1 3.789 0.008 . . . . . . 110 GLY HA2 . 25970 1 1300 . 1 1 110 110 GLY HA3 H 1 3.856 0.008 . . . . . . 110 GLY HA3 . 25970 1 1301 . 1 1 110 110 GLY C C 13 171.048 0.19 . . . . . . 110 GLY C . 25970 1 1302 . 1 1 110 110 GLY CA C 13 42.655 0.19 . . . . . . 110 GLY CA . 25970 1 1303 . 1 1 110 110 GLY N N 15 110.753 0.14 . . . . . . 110 GLY N . 25970 1 1304 . 1 1 111 111 TYR H H 1 7.917 0.008 . . . . . . 111 TYR H . 25970 1 1305 . 1 1 111 111 TYR HA H 1 4.518 0.008 . . . . . . 111 TYR HA . 25970 1 1306 . 1 1 111 111 TYR HB2 H 1 2.843 0.008 . . . . . . 111 TYR HB2 . 25970 1 1307 . 1 1 111 111 TYR HB3 H 1 2.938 0.008 . . . . . . 111 TYR HB3 . 25970 1 1308 . 1 1 111 111 TYR HD1 H 1 6.983 0.008 . . . . . . 111 TYR QD . 25970 1 1309 . 1 1 111 111 TYR HD2 H 1 6.983 0.008 . . . . . . 111 TYR QD . 25970 1 1310 . 1 1 111 111 TYR HE1 H 1 6.709 0.008 . . . . . . 111 TYR QE . 25970 1 1311 . 1 1 111 111 TYR HE2 H 1 6.709 0.008 . . . . . . 111 TYR QE . 25970 1 1312 . 1 1 111 111 TYR C C 13 172.988 0.19 . . . . . . 111 TYR C . 25970 1 1313 . 1 1 111 111 TYR CA C 13 55.044 0.19 . . . . . . 111 TYR CA . 25970 1 1314 . 1 1 111 111 TYR CB C 13 36.322 0.19 . . . . . . 111 TYR CB . 25970 1 1315 . 1 1 111 111 TYR CD1 C 13 130.316 0.19 . . . . . . 111 TYR CD1 . 25970 1 1316 . 1 1 111 111 TYR CE1 C 13 115.394 0.19 . . . . . . 111 TYR CE1 . 25970 1 1317 . 1 1 111 111 TYR N N 15 119.890 0.14 . . . . . . 111 TYR N . 25970 1 1318 . 1 1 112 112 THR H H 1 7.949 0.008 . . . . . . 112 THR H . 25970 1 1319 . 1 1 112 112 THR HA H 1 4.280 0.008 . . . . . . 112 THR HA . 25970 1 1320 . 1 1 112 112 THR HB H 1 4.036 0.008 . . . . . . 112 THR HB . 25970 1 1321 . 1 1 112 112 THR HG21 H 1 1.046 0.008 . . . . . . 112 THR QG2 . 25970 1 1322 . 1 1 112 112 THR HG22 H 1 1.046 0.008 . . . . . . 112 THR QG2 . 25970 1 1323 . 1 1 112 112 THR HG23 H 1 1.046 0.008 . . . . . . 112 THR QG2 . 25970 1 1324 . 1 1 112 112 THR C C 13 171.094 0.19 . . . . . . 112 THR C . 25970 1 1325 . 1 1 112 112 THR CA C 13 58.848 0.19 . . . . . . 112 THR CA . 25970 1 1326 . 1 1 112 112 THR CB C 13 67.027 0.19 . . . . . . 112 THR CB . 25970 1 1327 . 1 1 112 112 THR CG2 C 13 18.766 0.19 . . . . . . 112 THR CG2 . 25970 1 1328 . 1 1 112 112 THR N N 15 116.266 0.14 . . . . . . 112 THR N . 25970 1 1329 . 1 1 113 113 LEU H H 1 8.061 0.008 . . . . . . 113 LEU H . 25970 1 1330 . 1 1 113 113 LEU HA H 1 4.217 0.008 . . . . . . 113 LEU HA . 25970 1 1331 . 1 1 113 113 LEU HB2 H 1 1.489 0.008 . . . . . . 113 LEU HB2 . 25970 1 1332 . 1 1 113 113 LEU HD21 H 1 1.489 0.008 . . . . . . 113 LEU QD2 . 25970 1 1333 . 1 1 113 113 LEU HD22 H 1 1.489 0.008 . . . . . . 113 LEU QD2 . 25970 1 1334 . 1 1 113 113 LEU HD23 H 1 1.489 0.008 . . . . . . 113 LEU QD2 . 25970 1 1335 . 1 1 113 113 LEU C C 13 173.966 0.19 . . . . . . 113 LEU C . 25970 1 1336 . 1 1 113 113 LEU CA C 13 52.275 0.19 . . . . . . 113 LEU CA . 25970 1 1337 . 1 1 113 113 LEU CB C 13 39.716 0.19 . . . . . . 113 LEU CB . 25970 1 1338 . 1 1 113 113 LEU CD2 C 13 24.338 0.19 . . . . . . 113 LEU CD2 . 25970 1 1339 . 1 1 113 113 LEU N N 15 124.493 0.14 . . . . . . 113 LEU N . 25970 1 1340 . 1 1 114 114 ASP H H 1 8.241 0.008 . . . . . . 114 ASP H . 25970 1 1341 . 1 1 114 114 ASP HA H 1 4.488 0.008 . . . . . . 114 ASP HA . 25970 1 1342 . 1 1 114 114 ASP HB2 H 1 2.468 0.008 . . . . . . 114 ASP HB2 . 25970 1 1343 . 1 1 114 114 ASP HB3 H 1 2.624 0.008 . . . . . . 114 ASP HB3 . 25970 1 1344 . 1 1 114 114 ASP C C 13 173.377 0.19 . . . . . . 114 ASP C . 25970 1 1345 . 1 1 114 114 ASP CA C 13 51.687 0.19 . . . . . . 114 ASP CA . 25970 1 1346 . 1 1 114 114 ASP CB C 13 38.364 0.19 . . . . . . 114 ASP CB . 25970 1 1347 . 1 1 114 114 ASP N N 15 121.752 0.14 . . . . . . 114 ASP N . 25970 1 1348 . 1 1 115 115 VAL H H 1 7.999 0.008 . . . . . . 115 VAL H . 25970 1 1349 . 1 1 115 115 VAL HA H 1 4.130 0.008 . . . . . . 115 VAL HA . 25970 1 1350 . 1 1 115 115 VAL HB H 1 2.047 0.008 . . . . . . 115 VAL HB . 25970 1 1351 . 1 1 115 115 VAL HG21 H 1 0.821 0.008 . . . . . . 115 VAL QG2 . 25970 1 1352 . 1 1 115 115 VAL HG22 H 1 0.821 0.008 . . . . . . 115 VAL QG2 . 25970 1 1353 . 1 1 115 115 VAL HG23 H 1 0.821 0.008 . . . . . . 115 VAL QG2 . 25970 1 1354 . 1 1 115 115 VAL C C 13 173.767 0.19 . . . . . . 115 VAL C . 25970 1 1355 . 1 1 115 115 VAL CA C 13 59.217 0.19 . . . . . . 115 VAL CA . 25970 1 1356 . 1 1 115 115 VAL CB C 13 29.974 0.19 . . . . . . 115 VAL CB . 25970 1 1357 . 1 1 115 115 VAL CG1 C 13 16.614 0.19 . . . . . . 115 VAL CG1 . 25970 1 1358 . 1 1 115 115 VAL CG2 C 13 17.398 0.19 . . . . . . 115 VAL CG2 . 25970 1 1359 . 1 1 115 115 VAL N N 15 119.841 0.14 . . . . . . 115 VAL N . 25970 1 1360 . 1 1 116 116 THR H H 1 8.274 0.008 . . . . . . 116 THR H . 25970 1 1361 . 1 1 116 116 THR HA H 1 4.339 0.008 . . . . . . 116 THR HA . 25970 1 1362 . 1 1 116 116 THR HB H 1 4.097 0.008 . . . . . . 116 THR HB . 25970 1 1363 . 1 1 116 116 THR HG21 H 1 1.107 0.008 . . . . . . 116 THR QG2 . 25970 1 1364 . 1 1 116 116 THR HG22 H 1 1.107 0.008 . . . . . . 116 THR QG2 . 25970 1 1365 . 1 1 116 116 THR HG23 H 1 1.107 0.008 . . . . . . 116 THR QG2 . 25970 1 1366 . 1 1 116 116 THR C C 13 172.083 0.19 . . . . . . 116 THR C . 25970 1 1367 . 1 1 116 116 THR CA C 13 59.028 0.19 . . . . . . 116 THR CA . 25970 1 1368 . 1 1 116 116 THR CB C 13 67.157 0.19 . . . . . . 116 THR CB . 25970 1 1369 . 1 1 116 116 THR CG2 C 13 18.916 0.19 . . . . . . 116 THR CG2 . 25970 1 1370 . 1 1 116 116 THR N N 15 117.476 0.14 . . . . . . 116 THR N . 25970 1 1371 . 1 1 117 117 THR H H 1 8.017 0.008 . . . . . . 117 THR H . 25970 1 1372 . 1 1 117 117 THR HB H 1 4.197 0.008 . . . . . . 117 THR HB . 25970 1 1373 . 1 1 117 117 THR C C 13 171.438 0.19 . . . . . . 117 THR C . 25970 1 1374 . 1 1 117 117 THR CA C 13 50.252 0.19 . . . . . . 117 THR CA . 25970 1 1375 . 1 1 117 117 THR CB C 13 67.022 0.19 . . . . . . 117 THR CB . 25970 1 1376 . 1 1 117 117 THR CG2 C 13 20.353 0.19 . . . . . . 117 THR CG2 . 25970 1 1377 . 1 1 117 117 THR N N 15 115.649 0.14 . . . . . . 117 THR N . 25970 1 1378 . 1 1 118 118 GLY H H 1 7.911 0.008 . . . . . . 118 GLY H . 25970 1 1379 . 1 1 118 118 GLY HA2 H 1 3.673 0.008 . . . . . . 118 GLY QA . 25970 1 1380 . 1 1 118 118 GLY HA3 H 1 3.673 0.008 . . . . . . 118 GLY QA . 25970 1 1381 . 1 1 118 118 GLY CA C 13 43.478 0.19 . . . . . . 118 GLY CA . 25970 1 1382 . 1 1 118 118 GLY N N 15 117.228 0.14 . . . . . . 118 GLY N . 25970 1 stop_ save_