data_27058 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27058 _Entry.Title ; Resonance assignment of MOAG-4 at pH 6.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-28 _Entry.Accession_date 2017-03-28 _Entry.Last_release_date 2017-03-28 _Entry.Original_release_date 2017-03-28 _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 _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 Yuichi Yoshimura . . . . 27058 2 Mats Holmberg . . . . 27058 3 Predrag Kukic . . . . 27058 4 Camilla Andersen . . . . 27058 5 Alejandro Mata-Cabana . . . . 27058 6 Fabio Falsone . . . . 27058 7 Michele Vendruscolo . . . . 27058 8 Ellen Nollen . . . . 27058 9 Frans Mulder . . . . 27058 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27058 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 314 27058 '15N chemical shifts' 79 27058 '1H chemical shifts' 413 27058 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-08-11 2017-03-28 update BMRB 'update entry citation' 27058 1 . . 2017-03-30 2017-03-28 original author 'original release' 27058 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27058 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M116.764886 _Citation.PubMed_ID 28336532 _Citation.Full_citation . _Citation.Title ; MOAG-4 promotes the aggregation of alpha-synuclein by competing with self-protective electrostatic interactions. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 292 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8269 _Citation.Page_last 8278 _Citation.Year 2017 _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 Yuichi Yoshimura Y. . . . 27058 1 2 Mats Holmberg M. A. . . 27058 1 3 Predrag Kukic P. . . . 27058 1 4 Camilla Andersen C. B. . . 27058 1 5 Alejandro Mata-Cabana A. . . . 27058 1 6 'S Fabio' Falsone S. F. . . 27058 1 7 Michele Vendruscolo M. . . . 27058 1 8 Ellen Nollen . . . . 27058 1 9 Frans Mulder . . . . 27058 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27058 _Assembly.ID 1 _Assembly.Name MOAG-4 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MOAG-4 1 $MOAG-4 A . yes native no no . . . 27058 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MOAG-4 _Entity.Sf_category entity _Entity.Sf_framecode MOAG-4 _Entity.Entry_ID 27058 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MOAG-4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTRGNQRDLAREKNQKKLAD QKKRQGASGQDGNAGLSMDA RMNRDADVMRIKQEKAAAKK EAEAAAAAANAKKVAKVDPL KM ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27058 1 2 . THR . 27058 1 3 . ARG . 27058 1 4 . GLY . 27058 1 5 . ASN . 27058 1 6 . GLN . 27058 1 7 . ARG . 27058 1 8 . ASP . 27058 1 9 . LEU . 27058 1 10 . ALA . 27058 1 11 . ARG . 27058 1 12 . GLU . 27058 1 13 . LYS . 27058 1 14 . ASN . 27058 1 15 . GLN . 27058 1 16 . LYS . 27058 1 17 . LYS . 27058 1 18 . LEU . 27058 1 19 . ALA . 27058 1 20 . ASP . 27058 1 21 . GLN . 27058 1 22 . LYS . 27058 1 23 . LYS . 27058 1 24 . ARG . 27058 1 25 . GLN . 27058 1 26 . GLY . 27058 1 27 . ALA . 27058 1 28 . SER . 27058 1 29 . GLY . 27058 1 30 . GLN . 27058 1 31 . ASP . 27058 1 32 . GLY . 27058 1 33 . ASN . 27058 1 34 . ALA . 27058 1 35 . GLY . 27058 1 36 . LEU . 27058 1 37 . SER . 27058 1 38 . MET . 27058 1 39 . ASP . 27058 1 40 . ALA . 27058 1 41 . ARG . 27058 1 42 . MET . 27058 1 43 . ASN . 27058 1 44 . ARG . 27058 1 45 . ASP . 27058 1 46 . ALA . 27058 1 47 . ASP . 27058 1 48 . VAL . 27058 1 49 . MET . 27058 1 50 . ARG . 27058 1 51 . ILE . 27058 1 52 . LYS . 27058 1 53 . GLN . 27058 1 54 . GLU . 27058 1 55 . LYS . 27058 1 56 . ALA . 27058 1 57 . ALA . 27058 1 58 . ALA . 27058 1 59 . LYS . 27058 1 60 . LYS . 27058 1 61 . GLU . 27058 1 62 . ALA . 27058 1 63 . GLU . 27058 1 64 . ALA . 27058 1 65 . ALA . 27058 1 66 . ALA . 27058 1 67 . ALA . 27058 1 68 . ALA . 27058 1 69 . ALA . 27058 1 70 . ASN . 27058 1 71 . ALA . 27058 1 72 . LYS . 27058 1 73 . LYS . 27058 1 74 . VAL . 27058 1 75 . ALA . 27058 1 76 . LYS . 27058 1 77 . VAL . 27058 1 78 . ASP . 27058 1 79 . PRO . 27058 1 80 . LEU . 27058 1 81 . LYS . 27058 1 82 . MET . 27058 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27058 1 . THR 2 2 27058 1 . ARG 3 3 27058 1 . GLY 4 4 27058 1 . ASN 5 5 27058 1 . GLN 6 6 27058 1 . ARG 7 7 27058 1 . ASP 8 8 27058 1 . LEU 9 9 27058 1 . ALA 10 10 27058 1 . ARG 11 11 27058 1 . GLU 12 12 27058 1 . LYS 13 13 27058 1 . ASN 14 14 27058 1 . GLN 15 15 27058 1 . LYS 16 16 27058 1 . LYS 17 17 27058 1 . LEU 18 18 27058 1 . ALA 19 19 27058 1 . ASP 20 20 27058 1 . GLN 21 21 27058 1 . LYS 22 22 27058 1 . LYS 23 23 27058 1 . ARG 24 24 27058 1 . GLN 25 25 27058 1 . GLY 26 26 27058 1 . ALA 27 27 27058 1 . SER 28 28 27058 1 . GLY 29 29 27058 1 . GLN 30 30 27058 1 . ASP 31 31 27058 1 . GLY 32 32 27058 1 . ASN 33 33 27058 1 . ALA 34 34 27058 1 . GLY 35 35 27058 1 . LEU 36 36 27058 1 . SER 37 37 27058 1 . MET 38 38 27058 1 . ASP 39 39 27058 1 . ALA 40 40 27058 1 . ARG 41 41 27058 1 . MET 42 42 27058 1 . ASN 43 43 27058 1 . ARG 44 44 27058 1 . ASP 45 45 27058 1 . ALA 46 46 27058 1 . ASP 47 47 27058 1 . VAL 48 48 27058 1 . MET 49 49 27058 1 . ARG 50 50 27058 1 . ILE 51 51 27058 1 . LYS 52 52 27058 1 . GLN 53 53 27058 1 . GLU 54 54 27058 1 . LYS 55 55 27058 1 . ALA 56 56 27058 1 . ALA 57 57 27058 1 . ALA 58 58 27058 1 . LYS 59 59 27058 1 . LYS 60 60 27058 1 . GLU 61 61 27058 1 . ALA 62 62 27058 1 . GLU 63 63 27058 1 . ALA 64 64 27058 1 . ALA 65 65 27058 1 . ALA 66 66 27058 1 . ALA 67 67 27058 1 . ALA 68 68 27058 1 . ALA 69 69 27058 1 . ASN 70 70 27058 1 . ALA 71 71 27058 1 . LYS 72 72 27058 1 . LYS 73 73 27058 1 . VAL 74 74 27058 1 . ALA 75 75 27058 1 . LYS 76 76 27058 1 . VAL 77 77 27058 1 . ASP 78 78 27058 1 . PRO 79 79 27058 1 . LEU 80 80 27058 1 . LYS 81 81 27058 1 . MET 82 82 27058 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 27058 _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 $MOAG-4 . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 27058 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 27058 _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 $MOAG-4 . 'obtained from a vendor' . . . . . . . . . . . . . . . . 27058 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27058 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details MOAG-4 _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 MOAG-4 '[U-13C; U-15N]' . . 1 $MOAG-4 . . 0.4 . . mM . . . . 27058 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27058 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 27058 _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' 0.01 . M 27058 1 pH 6.0 . pH 27058 1 pressure 1 . atm 27058 1 temperature 283 . K 27058 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27058 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27058 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27058 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27058 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27058 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 27058 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27058 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27058 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27058 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27058 1 2 spectrometer_2 Bruker Avance . 950 . . . 27058 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 27058 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 5 '3D HN(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 6 '3D (HN)CO(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 7 '3D (H)N(COCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 8 '3D H(CC)(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 9 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27058 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27058 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 27058 _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 . . . . . 27058 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27058 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27058 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 27058 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 27058 1 4 '3D HNCACB' . . . 27058 1 8 '3D H(CC)(CO)NH' . . . 27058 1 9 '3D (H)CC(CO)NH' . . . 27058 1 10 '3D 1H-15N NOESY' . . . 27058 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 2 2 THR HA H 1 4.39 0.05 . 1 . . . . 2 THR HA . 27058 1 2 . 1 1 2 2 THR HB H 1 4.18 0.05 . 1 . . . . 2 THR HB . 27058 1 3 . 1 1 2 2 THR HG21 H 1 1.22 0.05 . 1 . . . . 2 THR HG2 . 27058 1 4 . 1 1 2 2 THR HG22 H 1 1.22 0.05 . 1 . . . . 2 THR HG2 . 27058 1 5 . 1 1 2 2 THR HG23 H 1 1.22 0.05 . 1 . . . . 2 THR HG2 . 27058 1 6 . 1 1 2 2 THR C C 13 174.05 0.02 . 1 . . . . 2 THR C . 27058 1 7 . 1 1 2 2 THR CA C 13 61.93 0.1 . 1 . . . . 2 THR CA . 27058 1 8 . 1 1 2 2 THR CB C 13 70.22 0.1 . 1 . . . . 2 THR CB . 27058 1 9 . 1 1 2 2 THR CG2 C 13 21.63 0.1 . 1 . . . . 2 THR CG2 . 27058 1 10 . 1 1 3 3 ARG H H 1 8.75 0.02 . 1 . . . . 3 ARG H . 27058 1 11 . 1 1 3 3 ARG HA H 1 4.36 0.05 . 1 . . . . 3 ARG HA . 27058 1 12 . 1 1 3 3 ARG HD2 H 1 3.21 0.05 . 2 . . . . 3 ARG HD2 . 27058 1 13 . 1 1 3 3 ARG HD3 H 1 3.21 0.05 . 2 . . . . 3 ARG HD3 . 27058 1 14 . 1 1 3 3 ARG C C 13 176.79 0.02 . 1 . . . . 3 ARG C . 27058 1 15 . 1 1 3 3 ARG CA C 13 56.37 0.1 . 1 . . . . 3 ARG CA . 27058 1 16 . 1 1 3 3 ARG CB C 13 30.92 0.1 . 1 . . . . 3 ARG CB . 27058 1 17 . 1 1 3 3 ARG CD C 13 43.27 0.1 . 1 . . . . 3 ARG CD . 27058 1 18 . 1 1 3 3 ARG N N 15 124.74 0.02 . 1 . . . . 3 ARG N . 27058 1 19 . 1 1 4 4 GLY H H 1 8.61 0.02 . 1 . . . . 4 GLY H . 27058 1 20 . 1 1 4 4 GLY HA2 H 1 3.96 0.05 . 2 . . . . 4 GLY HA2 . 27058 1 21 . 1 1 4 4 GLY HA3 H 1 3.96 0.05 . 2 . . . . 4 GLY HA3 . 27058 1 22 . 1 1 4 4 GLY C C 13 173.85 0.02 . 1 . . . . 4 GLY C . 27058 1 23 . 1 1 4 4 GLY CA C 13 45.17 0.1 . 1 . . . . 4 GLY CA . 27058 1 24 . 1 1 4 4 GLY N N 15 110.41 0.02 . 1 . . . . 4 GLY N . 27058 1 25 . 1 1 5 5 ASN H H 1 8.51 0.02 . 1 . . . . 5 ASN H . 27058 1 26 . 1 1 5 5 ASN HA H 1 4.71 0.05 . 1 . . . . 5 ASN HA . 27058 1 27 . 1 1 5 5 ASN HB2 H 1 2.83 0.05 . 2 . . . . 5 ASN HB2 . 27058 1 28 . 1 1 5 5 ASN HB3 H 1 2.83 0.05 . 2 . . . . 5 ASN HB3 . 27058 1 29 . 1 1 5 5 ASN C C 13 175.63 0.02 . 1 . . . . 5 ASN C . 27058 1 30 . 1 1 5 5 ASN CA C 13 53.25 0.1 . 1 . . . . 5 ASN CA . 27058 1 31 . 1 1 5 5 ASN CB C 13 39.04 0.1 . 1 . . . . 5 ASN CB . 27058 1 32 . 1 1 5 5 ASN N N 15 118.93 0.02 . 1 . . . . 5 ASN N . 27058 1 33 . 1 1 6 6 GLN H H 1 8.60 0.02 . 1 . . . . 6 GLN H . 27058 1 34 . 1 1 6 6 GLN HA H 1 4.23 0.05 . 1 . . . . 6 GLN HA . 27058 1 35 . 1 1 6 6 GLN HG2 H 1 2.39 0.05 . 2 . . . . 6 GLN HG2 . 27058 1 36 . 1 1 6 6 GLN HG3 H 1 2.39 0.05 . 2 . . . . 6 GLN HG3 . 27058 1 37 . 1 1 6 6 GLN C C 13 176.61 0.02 . 1 . . . . 6 GLN C . 27058 1 38 . 1 1 6 6 GLN CA C 13 56.88 0.1 . 1 . . . . 6 GLN CA . 27058 1 39 . 1 1 6 6 GLN CB C 13 28.83 0.1 . 1 . . . . 6 GLN CB . 27058 1 40 . 1 1 6 6 GLN CG C 13 33.85 0.1 . 1 . . . . 6 GLN CG . 27058 1 41 . 1 1 6 6 GLN N N 15 121.20 0.02 . 1 . . . . 6 GLN N . 27058 1 42 . 1 1 7 7 ARG H H 1 8.47 0.02 . 1 . . . . 7 ARG H . 27058 1 43 . 1 1 7 7 ARG HA H 1 4.23 0.05 . 1 . . . . 7 ARG HA . 27058 1 44 . 1 1 7 7 ARG HD2 H 1 3.19 0.05 . 2 . . . . 7 ARG HD2 . 27058 1 45 . 1 1 7 7 ARG HD3 H 1 3.19 0.05 . 2 . . . . 7 ARG HD3 . 27058 1 46 . 1 1 7 7 ARG C C 13 176.60 0.02 . 1 . . . . 7 ARG C . 27058 1 47 . 1 1 7 7 ARG CA C 13 56.88 0.1 . 1 . . . . 7 ARG CA . 27058 1 48 . 1 1 7 7 ARG CB C 13 30.70 0.1 . 1 . . . . 7 ARG CB . 27058 1 49 . 1 1 7 7 ARG CD C 13 43.34 0.1 . 1 . . . . 7 ARG CD . 27058 1 50 . 1 1 7 7 ARG N N 15 122.02 0.02 . 1 . . . . 7 ARG N . 27058 1 51 . 1 1 8 8 ASP H H 1 8.46 0.02 . 1 . . . . 8 ASP H . 27058 1 52 . 1 1 8 8 ASP HA H 1 4.60 0.05 . 1 . . . . 8 ASP HA . 27058 1 53 . 1 1 8 8 ASP HB2 H 1 2.80 0.05 . 2 . . . . 8 ASP HB2 . 27058 1 54 . 1 1 8 8 ASP HB3 H 1 2.61 0.05 . 2 . . . . 8 ASP HB3 . 27058 1 55 . 1 1 8 8 ASP C C 13 176.88 0.02 . 1 . . . . 8 ASP C . 27058 1 56 . 1 1 8 8 ASP CA C 13 54.61 0.1 . 1 . . . . 8 ASP CA . 27058 1 57 . 1 1 8 8 ASP CB C 13 40.64 0.1 . 1 . . . . 8 ASP CB . 27058 1 58 . 1 1 8 8 ASP N N 15 122.04 0.02 . 1 . . . . 8 ASP N . 27058 1 59 . 1 1 9 9 LEU H H 1 8.30 0.02 . 1 . . . . 9 LEU H . 27058 1 60 . 1 1 9 9 LEU HA H 1 4.15 0.05 . 1 . . . . 9 LEU HA . 27058 1 61 . 1 1 9 9 LEU HD11 H 1 0.88 0.05 . 2 . . . . 9 LEU HD1 . 27058 1 62 . 1 1 9 9 LEU HD12 H 1 0.88 0.05 . 2 . . . . 9 LEU HD1 . 27058 1 63 . 1 1 9 9 LEU HD13 H 1 0.88 0.05 . 2 . . . . 9 LEU HD1 . 27058 1 64 . 1 1 9 9 LEU HD21 H 1 0.88 0.05 . 2 . . . . 9 LEU HD2 . 27058 1 65 . 1 1 9 9 LEU HD22 H 1 0.88 0.05 . 2 . . . . 9 LEU HD2 . 27058 1 66 . 1 1 9 9 LEU HD23 H 1 0.88 0.05 . 2 . . . . 9 LEU HD2 . 27058 1 67 . 1 1 9 9 LEU C C 13 178.48 0.02 . 1 . . . . 9 LEU C . 27058 1 68 . 1 1 9 9 LEU CA C 13 56.53 0.1 . 1 . . . . 9 LEU CA . 27058 1 69 . 1 1 9 9 LEU CB C 13 41.80 0.1 . 1 . . . . 9 LEU CB . 27058 1 70 . 1 1 9 9 LEU CG C 13 26.88 0.1 . 1 . . . . 9 LEU CG . 27058 1 71 . 1 1 9 9 LEU CD1 C 13 24.87 0.1 . 2 . . . . 9 LEU CD1 . 27058 1 72 . 1 1 9 9 LEU CD2 C 13 23.19 0.1 . 2 . . . . 9 LEU CD2 . 27058 1 73 . 1 1 9 9 LEU N N 15 123.32 0.02 . 1 . . . . 9 LEU N . 27058 1 74 . 1 1 10 10 ALA H H 1 8.23 0.02 . 1 . . . . 10 ALA H . 27058 1 75 . 1 1 10 10 ALA HA H 1 4.19 0.05 . 1 . . . . 10 ALA HA . 27058 1 76 . 1 1 10 10 ALA HB1 H 1 1.44 0.05 . 1 . . . . 10 ALA HB . 27058 1 77 . 1 1 10 10 ALA HB2 H 1 1.44 0.05 . 1 . . . . 10 ALA HB . 27058 1 78 . 1 1 10 10 ALA HB3 H 1 1.44 0.05 . 1 . . . . 10 ALA HB . 27058 1 79 . 1 1 10 10 ALA C C 13 179.08 0.02 . 1 . . . . 10 ALA C . 27058 1 80 . 1 1 10 10 ALA CA C 13 53.97 0.1 . 1 . . . . 10 ALA CA . 27058 1 81 . 1 1 10 10 ALA CB C 13 18.40 0.1 . 1 . . . . 10 ALA CB . 27058 1 82 . 1 1 10 10 ALA N N 15 122.90 0.02 . 1 . . . . 10 ALA N . 27058 1 83 . 1 1 11 11 ARG H H 1 8.02 0.02 . 1 . . . . 11 ARG H . 27058 1 84 . 1 1 11 11 ARG HA H 1 4.19 0.05 . 1 . . . . 11 ARG HA . 27058 1 85 . 1 1 11 11 ARG HD2 H 1 3.22 0.05 . 2 . . . . 11 ARG HD2 . 27058 1 86 . 1 1 11 11 ARG HD3 H 1 3.22 0.05 . 2 . . . . 11 ARG HD3 . 27058 1 87 . 1 1 11 11 ARG C C 13 177.83 0.02 . 1 . . . . 11 ARG C . 27058 1 88 . 1 1 11 11 ARG CA C 13 57.69 0.1 . 1 . . . . 11 ARG CA . 27058 1 89 . 1 1 11 11 ARG CB C 13 30.42 0.1 . 1 . . . . 11 ARG CB . 27058 1 90 . 1 1 11 11 ARG CG C 13 26.85 0.1 . 1 . . . . 11 ARG CG . 27058 1 91 . 1 1 11 11 ARG CD C 13 43.31 0.1 . 1 . . . . 11 ARG CD . 27058 1 92 . 1 1 11 11 ARG N N 15 119.62 0.02 . 1 . . . . 11 ARG N . 27058 1 93 . 1 1 12 12 GLU H H 1 8.25 0.02 . 1 . . . . 12 GLU H . 27058 1 94 . 1 1 12 12 GLU HA H 1 4.15 0.05 . 1 . . . . 12 GLU HA . 27058 1 95 . 1 1 12 12 GLU HB2 H 1 2.06 0.05 . 2 . . . . 12 GLU HB2 . 27058 1 96 . 1 1 12 12 GLU HB3 H 1 2.06 0.05 . 2 . . . . 12 GLU HB3 . 27058 1 97 . 1 1 12 12 GLU HG2 H 1 2.38 0.05 . 2 . . . . 12 GLU HG2 . 27058 1 98 . 1 1 12 12 GLU HG3 H 1 2.27 0.05 . 2 . . . . 12 GLU HG3 . 27058 1 99 . 1 1 12 12 GLU C C 13 177.96 0.02 . 1 . . . . 12 GLU C . 27058 1 100 . 1 1 12 12 GLU CA C 13 57.99 0.1 . 1 . . . . 12 GLU CA . 27058 1 101 . 1 1 12 12 GLU CB C 13 29.48 0.1 . 1 . . . . 12 GLU CB . 27058 1 102 . 1 1 12 12 GLU CG C 13 36.31 0.1 . 1 . . . . 12 GLU CG . 27058 1 103 . 1 1 12 12 GLU N N 15 120.46 0.02 . 1 . . . . 12 GLU N . 27058 1 104 . 1 1 13 13 LYS H H 1 8.27 0.02 . 1 . . . . 13 LYS H . 27058 1 105 . 1 1 13 13 LYS HA H 1 4.17 0.05 . 1 . . . . 13 LYS HA . 27058 1 106 . 1 1 13 13 LYS HB2 H 1 1.85 0.05 . 2 . . . . 13 LYS HB2 . 27058 1 107 . 1 1 13 13 LYS HB3 H 1 1.85 0.05 . 2 . . . . 13 LYS HB3 . 27058 1 108 . 1 1 13 13 LYS HE2 H 1 2.98 0.05 . 2 . . . . 13 LYS HE2 . 27058 1 109 . 1 1 13 13 LYS HE3 H 1 2.98 0.05 . 2 . . . . 13 LYS HE3 . 27058 1 110 . 1 1 13 13 LYS C C 13 177.78 0.02 . 1 . . . . 13 LYS C . 27058 1 111 . 1 1 13 13 LYS CA C 13 57.97 0.1 . 1 . . . . 13 LYS CA . 27058 1 112 . 1 1 13 13 LYS CB C 13 32.78 0.1 . 1 . . . . 13 LYS CB . 27058 1 113 . 1 1 13 13 LYS CG C 13 24.77 0.1 . 1 . . . . 13 LYS CG . 27058 1 114 . 1 1 13 13 LYS CD C 13 29.30 0.1 . 1 . . . . 13 LYS CD . 27058 1 115 . 1 1 13 13 LYS CE C 13 42.14 0.1 . 1 . . . . 13 LYS CE . 27058 1 116 . 1 1 13 13 LYS N N 15 121.07 0.02 . 1 . . . . 13 LYS N . 27058 1 117 . 1 1 14 14 ASN H H 1 8.36 0.02 . 1 . . . . 14 ASN H . 27058 1 118 . 1 1 14 14 ASN HA H 1 4.62 0.05 . 1 . . . . 14 ASN HA . 27058 1 119 . 1 1 14 14 ASN HB2 H 1 2.84 0.05 . 2 . . . . 14 ASN HB2 . 27058 1 120 . 1 1 14 14 ASN HB3 H 1 2.84 0.05 . 2 . . . . 14 ASN HB3 . 27058 1 121 . 1 1 14 14 ASN C C 13 176.15 0.02 . 1 . . . . 14 ASN C . 27058 1 122 . 1 1 14 14 ASN CA C 13 54.49 0.1 . 1 . . . . 14 ASN CA . 27058 1 123 . 1 1 14 14 ASN CB C 13 38.59 0.1 . 1 . . . . 14 ASN CB . 27058 1 124 . 1 1 14 14 ASN N N 15 118.92 0.02 . 1 . . . . 14 ASN N . 27058 1 125 . 1 1 15 15 GLN H H 1 8.40 0.02 . 1 . . . . 15 GLN H . 27058 1 126 . 1 1 15 15 GLN HA H 1 4.17 0.05 . 1 . . . . 15 GLN HA . 27058 1 127 . 1 1 15 15 GLN HB2 H 1 2.11 0.05 . 2 . . . . 15 GLN HB2 . 27058 1 128 . 1 1 15 15 GLN HB3 H 1 2.11 0.05 . 2 . . . . 15 GLN HB3 . 27058 1 129 . 1 1 15 15 GLN HG2 H 1 2.44 0.05 . 2 . . . . 15 GLN HG2 . 27058 1 130 . 1 1 15 15 GLN HG3 H 1 2.44 0.05 . 2 . . . . 15 GLN HG3 . 27058 1 131 . 1 1 15 15 GLN C C 13 177.27 0.02 . 1 . . . . 15 GLN C . 27058 1 132 . 1 1 15 15 GLN CA C 13 57.29 0.1 . 1 . . . . 15 GLN CA . 27058 1 133 . 1 1 15 15 GLN CB C 13 28.94 0.1 . 1 . . . . 15 GLN CB . 27058 1 134 . 1 1 15 15 GLN CG C 13 33.94 0.1 . 1 . . . . 15 GLN CG . 27058 1 135 . 1 1 15 15 GLN N N 15 120.44 0.02 . 1 . . . . 15 GLN N . 27058 1 136 . 1 1 16 16 LYS H H 1 8.25 0.02 . 1 . . . . 16 LYS H . 27058 1 137 . 1 1 16 16 LYS HA H 1 4.20 0.05 . 1 . . . . 16 LYS HA . 27058 1 138 . 1 1 16 16 LYS HB2 H 1 1.84 0.05 . 2 . . . . 16 LYS HB2 . 27058 1 139 . 1 1 16 16 LYS HB3 H 1 1.84 0.05 . 2 . . . . 16 LYS HB3 . 27058 1 140 . 1 1 16 16 LYS HG2 H 1 1.44 0.05 . 2 . . . . 16 LYS HG2 . 27058 1 141 . 1 1 16 16 LYS HG3 H 1 1.44 0.05 . 2 . . . . 16 LYS HG3 . 27058 1 142 . 1 1 16 16 LYS HD2 H 1 1.69 0.05 . 2 . . . . 16 LYS HD2 . 27058 1 143 . 1 1 16 16 LYS HD3 H 1 1.69 0.05 . 2 . . . . 16 LYS HD3 . 27058 1 144 . 1 1 16 16 LYS HE2 H 1 2.99 0.05 . 2 . . . . 16 LYS HE2 . 27058 1 145 . 1 1 16 16 LYS HE3 H 1 2.99 0.05 . 2 . . . . 16 LYS HE3 . 27058 1 146 . 1 1 16 16 LYS C C 13 177.18 0.02 . 1 . . . . 16 LYS C . 27058 1 147 . 1 1 16 16 LYS CA C 13 57.67 0.1 . 1 . . . . 16 LYS CA . 27058 1 148 . 1 1 16 16 LYS CB C 13 32.66 0.1 . 1 . . . . 16 LYS CB . 27058 1 149 . 1 1 16 16 LYS CG C 13 24.77 0.1 . 1 . . . . 16 LYS CG . 27058 1 150 . 1 1 16 16 LYS CD C 13 29.22 0.1 . 1 . . . . 16 LYS CD . 27058 1 151 . 1 1 16 16 LYS CE C 13 42.20 0.1 . 1 . . . . 16 LYS CE . 27058 1 152 . 1 1 16 16 LYS N N 15 122.17 0.02 . 1 . . . . 16 LYS N . 27058 1 153 . 1 1 17 17 LYS H H 1 8.16 0.02 . 1 . . . . 17 LYS H . 27058 1 154 . 1 1 17 17 LYS HA H 1 4.22 0.05 . 1 . . . . 17 LYS HA . 27058 1 155 . 1 1 17 17 LYS HB2 H 1 1.84 0.05 . 2 . . . . 17 LYS HB2 . 27058 1 156 . 1 1 17 17 LYS HB3 H 1 1.84 0.05 . 2 . . . . 17 LYS HB3 . 27058 1 157 . 1 1 17 17 LYS HE2 H 1 2.99 0.05 . 2 . . . . 17 LYS HE2 . 27058 1 158 . 1 1 17 17 LYS HE3 H 1 2.99 0.05 . 2 . . . . 17 LYS HE3 . 27058 1 159 . 1 1 17 17 LYS C C 13 177.87 0.02 . 1 . . . . 17 LYS C . 27058 1 160 . 1 1 17 17 LYS CA C 13 57.51 0.1 . 1 . . . . 17 LYS CA . 27058 1 161 . 1 1 17 17 LYS CB C 13 32.73 0.1 . 1 . . . . 17 LYS CB . 27058 1 162 . 1 1 17 17 LYS CG C 13 24.65 0.1 . 1 . . . . 17 LYS CG . 27058 1 163 . 1 1 17 17 LYS CD C 13 29.27 0.1 . 1 . . . . 17 LYS CD . 27058 1 164 . 1 1 17 17 LYS CE C 13 42.08 0.1 . 1 . . . . 17 LYS CE . 27058 1 165 . 1 1 17 17 LYS N N 15 121.60 0.02 . 1 . . . . 17 LYS N . 27058 1 166 . 1 1 18 18 LEU H H 1 8.18 0.02 . 1 . . . . 18 LEU H . 27058 1 167 . 1 1 18 18 LEU HA H 1 4.22 0.05 . 1 . . . . 18 LEU HA . 27058 1 168 . 1 1 18 18 LEU HD11 H 1 0.90 0.05 . 2 . . . . 18 LEU HD1 . 27058 1 169 . 1 1 18 18 LEU HD12 H 1 0.90 0.05 . 2 . . . . 18 LEU HD1 . 27058 1 170 . 1 1 18 18 LEU HD13 H 1 0.90 0.05 . 2 . . . . 18 LEU HD1 . 27058 1 171 . 1 1 18 18 LEU HD21 H 1 0.90 0.05 . 2 . . . . 18 LEU HD2 . 27058 1 172 . 1 1 18 18 LEU HD22 H 1 0.90 0.05 . 2 . . . . 18 LEU HD2 . 27058 1 173 . 1 1 18 18 LEU HD23 H 1 0.90 0.05 . 2 . . . . 18 LEU HD2 . 27058 1 174 . 1 1 18 18 LEU C C 13 178.30 0.02 . 1 . . . . 18 LEU C . 27058 1 175 . 1 1 18 18 LEU CA C 13 56.24 0.1 . 1 . . . . 18 LEU CA . 27058 1 176 . 1 1 18 18 LEU CB C 13 42.05 0.1 . 1 . . . . 18 LEU CB . 27058 1 177 . 1 1 18 18 LEU CG C 13 26.94 0.1 . 1 . . . . 18 LEU CG . 27058 1 178 . 1 1 18 18 LEU CD1 C 13 24.80 0.1 . 2 . . . . 18 LEU CD1 . 27058 1 179 . 1 1 18 18 LEU CD2 C 13 23.46 0.1 . 2 . . . . 18 LEU CD2 . 27058 1 180 . 1 1 18 18 LEU N N 15 122.24 0.02 . 1 . . . . 18 LEU N . 27058 1 181 . 1 1 19 19 ALA H H 1 8.26 0.02 . 1 . . . . 19 ALA H . 27058 1 182 . 1 1 19 19 ALA HA H 1 4.21 0.05 . 1 . . . . 19 ALA HA . 27058 1 183 . 1 1 19 19 ALA HB1 H 1 1.44 0.05 . 1 . . . . 19 ALA HB . 27058 1 184 . 1 1 19 19 ALA HB2 H 1 1.44 0.05 . 1 . . . . 19 ALA HB . 27058 1 185 . 1 1 19 19 ALA HB3 H 1 1.44 0.05 . 1 . . . . 19 ALA HB . 27058 1 186 . 1 1 19 19 ALA C C 13 178.90 0.02 . 1 . . . . 19 ALA C . 27058 1 187 . 1 1 19 19 ALA CA C 13 53.34 0.1 . 1 . . . . 19 ALA CA . 27058 1 188 . 1 1 19 19 ALA CB C 13 18.71 0.1 . 1 . . . . 19 ALA CB . 27058 1 189 . 1 1 19 19 ALA N N 15 123.80 0.02 . 1 . . . . 19 ALA N . 27058 1 190 . 1 1 20 20 ASP H H 1 8.37 0.02 . 1 . . . . 20 ASP H . 27058 1 191 . 1 1 20 20 ASP HA H 1 4.50 0.05 . 1 . . . . 20 ASP HA . 27058 1 192 . 1 1 20 20 ASP HB2 H 1 2.70 0.05 . 2 . . . . 20 ASP HB2 . 27058 1 193 . 1 1 20 20 ASP HB3 H 1 2.70 0.05 . 2 . . . . 20 ASP HB3 . 27058 1 194 . 1 1 20 20 ASP C C 13 177.37 0.02 . 1 . . . . 20 ASP C . 27058 1 195 . 1 1 20 20 ASP CA C 13 55.44 0.1 . 1 . . . . 20 ASP CA . 27058 1 196 . 1 1 20 20 ASP CB C 13 40.84 0.1 . 1 . . . . 20 ASP CB . 27058 1 197 . 1 1 20 20 ASP N N 15 119.64 0.02 . 1 . . . . 20 ASP N . 27058 1 198 . 1 1 21 21 GLN H H 1 8.24 0.02 . 1 . . . . 21 GLN H . 27058 1 199 . 1 1 21 21 GLN HA H 1 4.19 0.05 . 1 . . . . 21 GLN HA . 27058 1 200 . 1 1 21 21 GLN HG2 H 1 2.43 0.05 . 2 . . . . 21 GLN HG2 . 27058 1 201 . 1 1 21 21 GLN HG3 H 1 2.43 0.05 . 2 . . . . 21 GLN HG3 . 27058 1 202 . 1 1 21 21 GLN C C 13 176.95 0.02 . 1 . . . . 21 GLN C . 27058 1 203 . 1 1 21 21 GLN CA C 13 56.98 0.1 . 1 . . . . 21 GLN CA . 27058 1 204 . 1 1 21 21 GLN CB C 13 29.28 0.1 . 1 . . . . 21 GLN CB . 27058 1 205 . 1 1 21 21 GLN CG C 13 33.89 0.1 . 1 . . . . 21 GLN CG . 27058 1 206 . 1 1 21 21 GLN N N 15 120.63 0.02 . 1 . . . . 21 GLN N . 27058 1 207 . 1 1 22 22 LYS H H 1 8.22 0.02 . 1 . . . . 22 LYS H . 27058 1 208 . 1 1 22 22 LYS HA H 1 4.20 0.05 . 1 . . . . 22 LYS HA . 27058 1 209 . 1 1 22 22 LYS HB2 H 1 1.84 0.05 . 2 . . . . 22 LYS HB2 . 27058 1 210 . 1 1 22 22 LYS HB3 H 1 1.84 0.05 . 2 . . . . 22 LYS HB3 . 27058 1 211 . 1 1 22 22 LYS HG2 H 1 1.50 0.05 . 2 . . . . 22 LYS HG2 . 27058 1 212 . 1 1 22 22 LYS HG3 H 1 1.44 0.05 . 2 . . . . 22 LYS HG3 . 27058 1 213 . 1 1 22 22 LYS HD2 H 1 1.68 0.05 . 2 . . . . 22 LYS HD2 . 27058 1 214 . 1 1 22 22 LYS HD3 H 1 1.68 0.05 . 2 . . . . 22 LYS HD3 . 27058 1 215 . 1 1 22 22 LYS HE2 H 1 2.98 0.05 . 2 . . . . 22 LYS HE2 . 27058 1 216 . 1 1 22 22 LYS HE3 H 1 2.98 0.05 . 2 . . . . 22 LYS HE3 . 27058 1 217 . 1 1 22 22 LYS C C 13 177.41 0.02 . 1 . . . . 22 LYS C . 27058 1 218 . 1 1 22 22 LYS CA C 13 57.26 0.1 . 1 . . . . 22 LYS CA . 27058 1 219 . 1 1 22 22 LYS CB C 13 32.67 0.1 . 1 . . . . 22 LYS CB . 27058 1 220 . 1 1 22 22 LYS CG C 13 24.76 0.1 . 1 . . . . 22 LYS CG . 27058 1 221 . 1 1 22 22 LYS CD C 13 29.23 0.1 . 1 . . . . 22 LYS CD . 27058 1 222 . 1 1 22 22 LYS CE C 13 42.10 0.1 . 1 . . . . 22 LYS CE . 27058 1 223 . 1 1 22 22 LYS N N 15 121.04 0.02 . 1 . . . . 22 LYS N . 27058 1 224 . 1 1 23 23 LYS H H 1 8.15 0.02 . 1 . . . . 23 LYS H . 27058 1 225 . 1 1 23 23 LYS HA H 1 4.24 0.05 . 1 . . . . 23 LYS HA . 27058 1 226 . 1 1 23 23 LYS HB2 H 1 1.83 0.05 . 2 . . . . 23 LYS HB2 . 27058 1 227 . 1 1 23 23 LYS HB3 H 1 1.83 0.05 . 2 . . . . 23 LYS HB3 . 27058 1 228 . 1 1 23 23 LYS HG2 H 1 1.45 0.05 . 2 . . . . 23 LYS HG2 . 27058 1 229 . 1 1 23 23 LYS HG3 H 1 1.45 0.05 . 2 . . . . 23 LYS HG3 . 27058 1 230 . 1 1 23 23 LYS HD2 H 1 1.70 0.05 . 2 . . . . 23 LYS HD2 . 27058 1 231 . 1 1 23 23 LYS HD3 H 1 1.70 0.05 . 2 . . . . 23 LYS HD3 . 27058 1 232 . 1 1 23 23 LYS HE2 H 1 2.99 0.05 . 2 . . . . 23 LYS HE2 . 27058 1 233 . 1 1 23 23 LYS HE3 H 1 2.99 0.05 . 2 . . . . 23 LYS HE3 . 27058 1 234 . 1 1 23 23 LYS C C 13 177.08 0.02 . 1 . . . . 23 LYS C . 27058 1 235 . 1 1 23 23 LYS CA C 13 56.97 0.1 . 1 . . . . 23 LYS CA . 27058 1 236 . 1 1 23 23 LYS CB C 13 32.94 0.1 . 1 . . . . 23 LYS CB . 27058 1 237 . 1 1 23 23 LYS CG C 13 24.79 0.1 . 1 . . . . 23 LYS CG . 27058 1 238 . 1 1 23 23 LYS CD C 13 29.17 0.1 . 1 . . . . 23 LYS CD . 27058 1 239 . 1 1 23 23 LYS CE C 13 42.20 0.1 . 1 . . . . 23 LYS CE . 27058 1 240 . 1 1 23 23 LYS N N 15 121.45 0.02 . 1 . . . . 23 LYS N . 27058 1 241 . 1 1 24 24 ARG H H 1 8.29 0.02 . 1 . . . . 24 ARG H . 27058 1 242 . 1 1 24 24 ARG HA H 1 4.29 0.05 . 1 . . . . 24 ARG HA . 27058 1 243 . 1 1 24 24 ARG HB2 H 1 1.84 0.05 . 2 . . . . 24 ARG HB2 . 27058 1 244 . 1 1 24 24 ARG HB3 H 1 1.84 0.05 . 2 . . . . 24 ARG HB3 . 27058 1 245 . 1 1 24 24 ARG HG2 H 1 1.64 0.05 . 2 . . . . 24 ARG HG2 . 27058 1 246 . 1 1 24 24 ARG HG3 H 1 1.64 0.05 . 2 . . . . 24 ARG HG3 . 27058 1 247 . 1 1 24 24 ARG HD2 H 1 3.20 0.05 . 2 . . . . 24 ARG HD2 . 27058 1 248 . 1 1 24 24 ARG HD3 H 1 3.20 0.05 . 2 . . . . 24 ARG HD3 . 27058 1 249 . 1 1 24 24 ARG C C 13 176.62 0.02 . 1 . . . . 24 ARG C . 27058 1 250 . 1 1 24 24 ARG CA C 13 56.56 0.1 . 1 . . . . 24 ARG CA . 27058 1 251 . 1 1 24 24 ARG CB C 13 30.77 0.1 . 1 . . . . 24 ARG CB . 27058 1 252 . 1 1 24 24 ARG CD C 13 43.34 0.1 . 1 . . . . 24 ARG CD . 27058 1 253 . 1 1 24 24 ARG N N 15 121.81 0.02 . 1 . . . . 24 ARG N . 27058 1 254 . 1 1 25 25 GLN H H 1 8.46 0.02 . 1 . . . . 25 GLN H . 27058 1 255 . 1 1 25 25 GLN HA H 1 4.31 0.05 . 1 . . . . 25 GLN HA . 27058 1 256 . 1 1 25 25 GLN HB2 H 1 2.11 0.05 . 2 . . . . 25 GLN HB2 . 27058 1 257 . 1 1 25 25 GLN HB3 H 1 2.04 0.05 . 2 . . . . 25 GLN HB3 . 27058 1 258 . 1 1 25 25 GLN HG2 H 1 2.41 0.05 . 2 . . . . 25 GLN HG2 . 27058 1 259 . 1 1 25 25 GLN HG3 H 1 2.41 0.05 . 2 . . . . 25 GLN HG3 . 27058 1 260 . 1 1 25 25 GLN C C 13 176.65 0.02 . 1 . . . . 25 GLN C . 27058 1 261 . 1 1 25 25 GLN CA C 13 56.25 0.1 . 1 . . . . 25 GLN CA . 27058 1 262 . 1 1 25 25 GLN CB C 13 29.35 0.1 . 1 . . . . 25 GLN CB . 27058 1 263 . 1 1 25 25 GLN CG C 13 33.79 0.1 . 1 . . . . 25 GLN CG . 27058 1 264 . 1 1 25 25 GLN N N 15 121.67 0.02 . 1 . . . . 25 GLN N . 27058 1 265 . 1 1 26 26 GLY H H 1 8.49 0.02 . 1 . . . . 26 GLY H . 27058 1 266 . 1 1 26 26 GLY HA2 H 1 3.97 0.05 . 2 . . . . 26 GLY HA2 . 27058 1 267 . 1 1 26 26 GLY HA3 H 1 3.97 0.05 . 2 . . . . 26 GLY HA3 . 27058 1 268 . 1 1 26 26 GLY C C 13 173.93 0.02 . 1 . . . . 26 GLY C . 27058 1 269 . 1 1 26 26 GLY CA C 13 45.12 0.1 . 1 . . . . 26 GLY CA . 27058 1 270 . 1 1 26 26 GLY N N 15 110.35 0.02 . 1 . . . . 26 GLY N . 27058 1 271 . 1 1 27 27 ALA H H 1 8.30 0.02 . 1 . . . . 27 ALA H . 27058 1 272 . 1 1 27 27 ALA HA H 1 4.37 0.05 . 1 . . . . 27 ALA HA . 27058 1 273 . 1 1 27 27 ALA HB1 H 1 1.41 0.05 . 1 . . . . 27 ALA HB . 27058 1 274 . 1 1 27 27 ALA HB2 H 1 1.41 0.05 . 1 . . . . 27 ALA HB . 27058 1 275 . 1 1 27 27 ALA HB3 H 1 1.41 0.05 . 1 . . . . 27 ALA HB . 27058 1 276 . 1 1 27 27 ALA C C 13 178.07 0.02 . 1 . . . . 27 ALA C . 27058 1 277 . 1 1 27 27 ALA CA C 13 52.20 0.1 . 1 . . . . 27 ALA CA . 27058 1 278 . 1 1 27 27 ALA CB C 13 19.37 0.1 . 1 . . . . 27 ALA CB . 27058 1 279 . 1 1 27 27 ALA N N 15 123.97 0.02 . 1 . . . . 27 ALA N . 27058 1 280 . 1 1 28 28 SER H H 1 8.51 0.02 . 1 . . . . 28 SER H . 27058 1 281 . 1 1 28 28 SER HA H 1 4.46 0.05 . 1 . . . . 28 SER HA . 27058 1 282 . 1 1 28 28 SER HB2 H 1 3.90 0.05 . 2 . . . . 28 SER HB2 . 27058 1 283 . 1 1 28 28 SER HB3 H 1 3.90 0.05 . 2 . . . . 28 SER HB3 . 27058 1 284 . 1 1 28 28 SER C C 13 175.29 0.02 . 1 . . . . 28 SER C . 27058 1 285 . 1 1 28 28 SER CA C 13 58.62 0.1 . 1 . . . . 28 SER CA . 27058 1 286 . 1 1 28 28 SER CB C 13 63.86 0.1 . 1 . . . . 28 SER CB . 27058 1 287 . 1 1 28 28 SER N N 15 115.38 0.02 . 1 . . . . 28 SER N . 27058 1 288 . 1 1 29 29 GLY H H 1 8.54 0.02 . 1 . . . . 29 GLY H . 27058 1 289 . 1 1 29 29 GLY HA2 H 1 3.99 0.05 . 2 . . . . 29 GLY HA2 . 27058 1 290 . 1 1 29 29 GLY HA3 H 1 3.99 0.05 . 2 . . . . 29 GLY HA3 . 27058 1 291 . 1 1 29 29 GLY C C 13 174.39 0.02 . 1 . . . . 29 GLY C . 27058 1 292 . 1 1 29 29 GLY CA C 13 45.38 0.1 . 1 . . . . 29 GLY CA . 27058 1 293 . 1 1 29 29 GLY N N 15 110.84 0.02 . 1 . . . . 29 GLY N . 27058 1 294 . 1 1 30 30 GLN H H 1 8.35 0.02 . 1 . . . . 30 GLN H . 27058 1 295 . 1 1 30 30 GLN HA H 1 4.36 0.05 . 1 . . . . 30 GLN HA . 27058 1 296 . 1 1 30 30 GLN HB2 H 1 2.13 0.05 . 2 . . . . 30 GLN HB2 . 27058 1 297 . 1 1 30 30 GLN HB3 H 1 1.97 0.05 . 2 . . . . 30 GLN HB3 . 27058 1 298 . 1 1 30 30 GLN HG2 H 1 2.33 0.05 . 2 . . . . 30 GLN HG2 . 27058 1 299 . 1 1 30 30 GLN HG3 H 1 2.33 0.05 . 2 . . . . 30 GLN HG3 . 27058 1 300 . 1 1 30 30 GLN C C 13 175.90 0.02 . 1 . . . . 30 GLN C . 27058 1 301 . 1 1 30 30 GLN CA C 13 55.80 0.1 . 1 . . . . 30 GLN CA . 27058 1 302 . 1 1 30 30 GLN CB C 13 29.38 0.1 . 1 . . . . 30 GLN CB . 27058 1 303 . 1 1 30 30 GLN CG C 13 33.71 0.1 . 1 . . . . 30 GLN CG . 27058 1 304 . 1 1 30 30 GLN N N 15 119.73 0.02 . 1 . . . . 30 GLN N . 27058 1 305 . 1 1 31 31 ASP H H 1 8.50 0.02 . 1 . . . . 31 ASP H . 27058 1 306 . 1 1 31 31 ASP HA H 1 4.60 0.05 . 1 . . . . 31 ASP HA . 27058 1 307 . 1 1 31 31 ASP HB2 H 1 2.70 0.05 . 2 . . . . 31 ASP HB2 . 27058 1 308 . 1 1 31 31 ASP HB3 H 1 2.70 0.05 . 2 . . . . 31 ASP HB3 . 27058 1 309 . 1 1 31 31 ASP C C 13 176.93 0.02 . 1 . . . . 31 ASP C . 27058 1 310 . 1 1 31 31 ASP CA C 13 54.50 0.1 . 1 . . . . 31 ASP CA . 27058 1 311 . 1 1 31 31 ASP CB C 13 41.03 0.1 . 1 . . . . 31 ASP CB . 27058 1 312 . 1 1 31 31 ASP N N 15 121.27 0.02 . 1 . . . . 31 ASP N . 27058 1 313 . 1 1 32 32 GLY H H 1 8.48 0.02 . 1 . . . . 32 GLY H . 27058 1 314 . 1 1 32 32 GLY HA2 H 1 3.94 0.05 . 2 . . . . 32 GLY HA2 . 27058 1 315 . 1 1 32 32 GLY HA3 H 1 3.94 0.05 . 2 . . . . 32 GLY HA3 . 27058 1 316 . 1 1 32 32 GLY C C 13 174.36 0.02 . 1 . . . . 32 GLY C . 27058 1 317 . 1 1 32 32 GLY CA C 13 45.60 0.1 . 1 . . . . 32 GLY CA . 27058 1 318 . 1 1 32 32 GLY N N 15 109.67 0.02 . 1 . . . . 32 GLY N . 27058 1 319 . 1 1 33 33 ASN H H 1 8.41 0.02 . 1 . . . . 33 ASN H . 27058 1 320 . 1 1 33 33 ASN HA H 1 4.73 0.05 . 1 . . . . 33 ASN HA . 27058 1 321 . 1 1 33 33 ASN HB2 H 1 2.86 0.05 . 2 . . . . 33 ASN HB2 . 27058 1 322 . 1 1 33 33 ASN HB3 H 1 2.77 0.05 . 2 . . . . 33 ASN HB3 . 27058 1 323 . 1 1 33 33 ASN C C 13 175.44 0.02 . 1 . . . . 33 ASN C . 27058 1 324 . 1 1 33 33 ASN CA C 13 53.31 0.1 . 1 . . . . 33 ASN CA . 27058 1 325 . 1 1 33 33 ASN CB C 13 38.93 0.1 . 1 . . . . 33 ASN CB . 27058 1 326 . 1 1 33 33 ASN N N 15 118.77 0.02 . 1 . . . . 33 ASN N . 27058 1 327 . 1 1 34 34 ALA H H 1 8.36 0.02 . 1 . . . . 34 ALA H . 27058 1 328 . 1 1 34 34 ALA HA H 1 4.27 0.05 . 1 . . . . 34 ALA HA . 27058 1 329 . 1 1 34 34 ALA HB1 H 1 1.41 0.05 . 1 . . . . 34 ALA HB . 27058 1 330 . 1 1 34 34 ALA HB2 H 1 1.41 0.05 . 1 . . . . 34 ALA HB . 27058 1 331 . 1 1 34 34 ALA HB3 H 1 1.41 0.05 . 1 . . . . 34 ALA HB . 27058 1 332 . 1 1 34 34 ALA C C 13 178.33 0.02 . 1 . . . . 34 ALA C . 27058 1 333 . 1 1 34 34 ALA CA C 13 52.97 0.1 . 1 . . . . 34 ALA CA . 27058 1 334 . 1 1 34 34 ALA CB C 13 18.98 0.1 . 1 . . . . 34 ALA CB . 27058 1 335 . 1 1 34 34 ALA N N 15 124.37 0.02 . 1 . . . . 34 ALA N . 27058 1 336 . 1 1 35 35 GLY H H 1 8.45 0.02 . 1 . . . . 35 GLY H . 27058 1 337 . 1 1 35 35 GLY HA2 H 1 3.92 0.05 . 2 . . . . 35 GLY HA2 . 27058 1 338 . 1 1 35 35 GLY HA3 H 1 3.92 0.05 . 2 . . . . 35 GLY HA3 . 27058 1 339 . 1 1 35 35 GLY C C 13 174.25 0.02 . 1 . . . . 35 GLY C . 27058 1 340 . 1 1 35 35 GLY CA C 13 45.26 0.1 . 1 . . . . 35 GLY CA . 27058 1 341 . 1 1 35 35 GLY N N 15 107.69 0.02 . 1 . . . . 35 GLY N . 27058 1 342 . 1 1 36 36 LEU H H 1 8.03 0.02 . 1 . . . . 36 LEU H . 27058 1 343 . 1 1 36 36 LEU HA H 1 4.39 0.05 . 1 . . . . 36 LEU HA . 27058 1 344 . 1 1 36 36 LEU HD11 H 1 0.89 0.05 . 2 . . . . 36 LEU HD1 . 27058 1 345 . 1 1 36 36 LEU HD12 H 1 0.89 0.05 . 2 . . . . 36 LEU HD1 . 27058 1 346 . 1 1 36 36 LEU HD13 H 1 0.89 0.05 . 2 . . . . 36 LEU HD1 . 27058 1 347 . 1 1 36 36 LEU HD21 H 1 0.89 0.05 . 2 . . . . 36 LEU HD2 . 27058 1 348 . 1 1 36 36 LEU HD22 H 1 0.89 0.05 . 2 . . . . 36 LEU HD2 . 27058 1 349 . 1 1 36 36 LEU HD23 H 1 0.89 0.05 . 2 . . . . 36 LEU HD2 . 27058 1 350 . 1 1 36 36 LEU C C 13 177.72 0.02 . 1 . . . . 36 LEU C . 27058 1 351 . 1 1 36 36 LEU CA C 13 55.14 0.1 . 1 . . . . 36 LEU CA . 27058 1 352 . 1 1 36 36 LEU CB C 13 42.77 0.1 . 1 . . . . 36 LEU CB . 27058 1 353 . 1 1 36 36 LEU CG C 13 26.95 0.1 . 1 . . . . 36 LEU CG . 27058 1 354 . 1 1 36 36 LEU CD1 C 13 25.00 0.1 . 2 . . . . 36 LEU CD1 . 27058 1 355 . 1 1 36 36 LEU CD2 C 13 23.43 0.1 . 2 . . . . 36 LEU CD2 . 27058 1 356 . 1 1 36 36 LEU N N 15 121.38 0.02 . 1 . . . . 36 LEU N . 27058 1 357 . 1 1 37 37 SER H H 1 8.47 0.02 . 1 . . . . 37 SER H . 27058 1 358 . 1 1 37 37 SER HA H 1 4.42 0.05 . 1 . . . . 37 SER HA . 27058 1 359 . 1 1 37 37 SER HB2 H 1 4.01 0.05 . 2 . . . . 37 SER HB2 . 27058 1 360 . 1 1 37 37 SER HB3 H 1 4.01 0.05 . 2 . . . . 37 SER HB3 . 27058 1 361 . 1 1 37 37 SER C C 13 174.93 0.02 . 1 . . . . 37 SER C . 27058 1 362 . 1 1 37 37 SER CA C 13 58.29 0.1 . 1 . . . . 37 SER CA . 27058 1 363 . 1 1 37 37 SER CB C 13 63.82 0.1 . 1 . . . . 37 SER CB . 27058 1 364 . 1 1 37 37 SER N N 15 117.32 0.02 . 1 . . . . 37 SER N . 27058 1 365 . 1 1 38 38 MET H H 1 8.65 0.02 . 1 . . . . 38 MET H . 27058 1 366 . 1 1 38 38 MET HA H 1 4.41 0.05 . 1 . . . . 38 MET HA . 27058 1 367 . 1 1 38 38 MET C C 13 176.76 0.02 . 1 . . . . 38 MET C . 27058 1 368 . 1 1 38 38 MET CA C 13 56.54 0.1 . 1 . . . . 38 MET CA . 27058 1 369 . 1 1 38 38 MET CB C 13 32.05 0.1 . 1 . . . . 38 MET CB . 27058 1 370 . 1 1 38 38 MET N N 15 122.49 0.02 . 1 . . . . 38 MET N . 27058 1 371 . 1 1 39 39 ASP H H 1 8.38 0.02 . 1 . . . . 39 ASP H . 27058 1 372 . 1 1 39 39 ASP HA H 1 4.49 0.05 . 1 . . . . 39 ASP HA . 27058 1 373 . 1 1 39 39 ASP HB2 H 1 2.69 0.05 . 2 . . . . 39 ASP HB2 . 27058 1 374 . 1 1 39 39 ASP HB3 H 1 2.63 0.05 . 2 . . . . 39 ASP HB3 . 27058 1 375 . 1 1 39 39 ASP C C 13 176.80 0.02 . 1 . . . . 39 ASP C . 27058 1 376 . 1 1 39 39 ASP CA C 13 55.19 0.1 . 1 . . . . 39 ASP CA . 27058 1 377 . 1 1 39 39 ASP CB C 13 41.04 0.1 . 1 . . . . 39 ASP CB . 27058 1 378 . 1 1 39 39 ASP N N 15 120.65 0.02 . 1 . . . . 39 ASP N . 27058 1 379 . 1 1 40 40 ALA H H 1 8.28 0.02 . 1 . . . . 40 ALA H . 27058 1 380 . 1 1 40 40 ALA HA H 1 4.24 0.05 . 1 . . . . 40 ALA HA . 27058 1 381 . 1 1 40 40 ALA HB1 H 1 1.45 0.05 . 1 . . . . 40 ALA HB . 27058 1 382 . 1 1 40 40 ALA HB2 H 1 1.45 0.05 . 1 . . . . 40 ALA HB . 27058 1 383 . 1 1 40 40 ALA HB3 H 1 1.45 0.05 . 1 . . . . 40 ALA HB . 27058 1 384 . 1 1 40 40 ALA C C 13 179.15 0.02 . 1 . . . . 40 ALA C . 27058 1 385 . 1 1 40 40 ALA CA C 13 53.42 0.1 . 1 . . . . 40 ALA CA . 27058 1 386 . 1 1 40 40 ALA CB C 13 18.80 0.1 . 1 . . . . 40 ALA CB . 27058 1 387 . 1 1 40 40 ALA N N 15 124.65 0.02 . 1 . . . . 40 ALA N . 27058 1 388 . 1 1 41 41 ARG H H 1 8.32 0.02 . 1 . . . . 41 ARG H . 27058 1 389 . 1 1 41 41 ARG HA H 1 4.13 0.05 . 1 . . . . 41 ARG HA . 27058 1 390 . 1 1 41 41 ARG HB2 H 1 1.90 0.05 . 2 . . . . 41 ARG HB2 . 27058 1 391 . 1 1 41 41 ARG HB3 H 1 1.90 0.05 . 2 . . . . 41 ARG HB3 . 27058 1 392 . 1 1 41 41 ARG HG2 H 1 1.68 0.05 . 2 . . . . 41 ARG HG2 . 27058 1 393 . 1 1 41 41 ARG HG3 H 1 1.68 0.05 . 2 . . . . 41 ARG HG3 . 27058 1 394 . 1 1 41 41 ARG HD2 H 1 3.22 0.05 . 2 . . . . 41 ARG HD2 . 27058 1 395 . 1 1 41 41 ARG HD3 H 1 3.22 0.05 . 2 . . . . 41 ARG HD3 . 27058 1 396 . 1 1 41 41 ARG C C 13 177.32 0.02 . 1 . . . . 41 ARG C . 27058 1 397 . 1 1 41 41 ARG CA C 13 57.64 0.1 . 1 . . . . 41 ARG CA . 27058 1 398 . 1 1 41 41 ARG CB C 13 30.25 0.1 . 1 . . . . 41 ARG CB . 27058 1 399 . 1 1 41 41 ARG CG C 13 26.91 0.1 . 1 . . . . 41 ARG CG . 27058 1 400 . 1 1 41 41 ARG CD C 13 43.41 0.1 . 1 . . . . 41 ARG CD . 27058 1 401 . 1 1 41 41 ARG N N 15 119.15 0.02 . 1 . . . . 41 ARG N . 27058 1 402 . 1 1 42 42 MET H H 1 8.24 0.02 . 1 . . . . 42 MET H . 27058 1 403 . 1 1 42 42 MET HA H 1 4.38 0.05 . 1 . . . . 42 MET HA . 27058 1 404 . 1 1 42 42 MET C C 13 177.07 0.02 . 1 . . . . 42 MET C . 27058 1 405 . 1 1 42 42 MET CA C 13 56.53 0.1 . 1 . . . . 42 MET CA . 27058 1 406 . 1 1 42 42 MET CB C 13 32.11 0.1 . 1 . . . . 42 MET CB . 27058 1 407 . 1 1 42 42 MET N N 15 119.26 0.02 . 1 . . . . 42 MET N . 27058 1 408 . 1 1 43 43 ASN H H 1 8.34 0.02 . 1 . . . . 43 ASN H . 27058 1 409 . 1 1 43 43 ASN HA H 1 4.65 0.05 . 1 . . . . 43 ASN HA . 27058 1 410 . 1 1 43 43 ASN HB2 H 1 2.86 0.05 . 2 . . . . 43 ASN HB2 . 27058 1 411 . 1 1 43 43 ASN HB3 H 1 2.79 0.05 . 2 . . . . 43 ASN HB3 . 27058 1 412 . 1 1 43 43 ASN C C 13 175.98 0.02 . 1 . . . . 43 ASN C . 27058 1 413 . 1 1 43 43 ASN CA C 13 54.12 0.1 . 1 . . . . 43 ASN CA . 27058 1 414 . 1 1 43 43 ASN CB C 13 38.56 0.1 . 1 . . . . 43 ASN CB . 27058 1 415 . 1 1 43 43 ASN N N 15 119.43 0.02 . 1 . . . . 43 ASN N . 27058 1 416 . 1 1 44 44 ARG H H 1 8.37 0.02 . 1 . . . . 44 ARG H . 27058 1 417 . 1 1 44 44 ARG HA H 1 4.30 0.05 . 1 . . . . 44 ARG HA . 27058 1 418 . 1 1 44 44 ARG HB2 H 1 1.97 0.05 . 2 . . . . 44 ARG HB2 . 27058 1 419 . 1 1 44 44 ARG HB3 H 1 1.86 0.05 . 2 . . . . 44 ARG HB3 . 27058 1 420 . 1 1 44 44 ARG HG2 H 1 1.75 0.05 . 2 . . . . 44 ARG HG2 . 27058 1 421 . 1 1 44 44 ARG HG3 H 1 1.63 0.05 . 2 . . . . 44 ARG HG3 . 27058 1 422 . 1 1 44 44 ARG HD2 H 1 3.21 0.05 . 2 . . . . 44 ARG HD2 . 27058 1 423 . 1 1 44 44 ARG HD3 H 1 3.21 0.05 . 2 . . . . 44 ARG HD3 . 27058 1 424 . 1 1 44 44 ARG C C 13 177.33 0.02 . 1 . . . . 44 ARG C . 27058 1 425 . 1 1 44 44 ARG CA C 13 57.51 0.1 . 1 . . . . 44 ARG CA . 27058 1 426 . 1 1 44 44 ARG CB C 13 30.38 0.1 . 1 . . . . 44 ARG CB . 27058 1 427 . 1 1 44 44 ARG CG C 13 26.53 0.1 . 1 . . . . 44 ARG CG . 27058 1 428 . 1 1 44 44 ARG CD C 13 43.38 0.1 . 1 . . . . 44 ARG CD . 27058 1 429 . 1 1 44 44 ARG N N 15 121.96 0.02 . 1 . . . . 44 ARG N . 27058 1 430 . 1 1 45 45 ASP H H 1 8.43 0.02 . 1 . . . . 45 ASP H . 27058 1 431 . 1 1 45 45 ASP HA H 1 4.49 0.05 . 1 . . . . 45 ASP HA . 27058 1 432 . 1 1 45 45 ASP HB2 H 1 2.71 0.05 . 2 . . . . 45 ASP HB2 . 27058 1 433 . 1 1 45 45 ASP HB3 H 1 2.71 0.05 . 2 . . . . 45 ASP HB3 . 27058 1 434 . 1 1 45 45 ASP C C 13 177.57 0.02 . 1 . . . . 45 ASP C . 27058 1 435 . 1 1 45 45 ASP CA C 13 56.06 0.1 . 1 . . . . 45 ASP CA . 27058 1 436 . 1 1 45 45 ASP CB C 13 40.45 0.1 . 1 . . . . 45 ASP CB . 27058 1 437 . 1 1 45 45 ASP N N 15 120.59 0.02 . 1 . . . . 45 ASP N . 27058 1 438 . 1 1 46 46 ALA H H 1 8.25 0.02 . 1 . . . . 46 ALA H . 27058 1 439 . 1 1 46 46 ALA HA H 1 4.20 0.05 . 1 . . . . 46 ALA HA . 27058 1 440 . 1 1 46 46 ALA HB1 H 1 1.47 0.05 . 1 . . . . 46 ALA HB . 27058 1 441 . 1 1 46 46 ALA HB2 H 1 1.47 0.05 . 1 . . . . 46 ALA HB . 27058 1 442 . 1 1 46 46 ALA HB3 H 1 1.47 0.05 . 1 . . . . 46 ALA HB . 27058 1 443 . 1 1 46 46 ALA C C 13 179.53 0.02 . 1 . . . . 46 ALA C . 27058 1 444 . 1 1 46 46 ALA CA C 13 54.27 0.1 . 1 . . . . 46 ALA CA . 27058 1 445 . 1 1 46 46 ALA CB C 13 18.58 0.1 . 1 . . . . 46 ALA CB . 27058 1 446 . 1 1 46 46 ALA N N 15 123.30 0.02 . 1 . . . . 46 ALA N . 27058 1 447 . 1 1 47 47 ASP H H 1 8.18 0.02 . 1 . . . . 47 ASP H . 27058 1 448 . 1 1 47 47 ASP HA H 1 4.56 0.05 . 1 . . . . 47 ASP HA . 27058 1 449 . 1 1 47 47 ASP HB2 H 1 2.77 0.05 . 2 . . . . 47 ASP HB2 . 27058 1 450 . 1 1 47 47 ASP HB3 H 1 2.77 0.05 . 2 . . . . 47 ASP HB3 . 27058 1 451 . 1 1 47 47 ASP C C 13 177.47 0.02 . 1 . . . . 47 ASP C . 27058 1 452 . 1 1 47 47 ASP CA C 13 56.52 0.1 . 1 . . . . 47 ASP CA . 27058 1 453 . 1 1 47 47 ASP CB C 13 40.86 0.1 . 1 . . . . 47 ASP CB . 27058 1 454 . 1 1 47 47 ASP N N 15 120.03 0.02 . 1 . . . . 47 ASP N . 27058 1 455 . 1 1 48 48 VAL H H 1 8.00 0.02 . 1 . . . . 48 VAL H . 27058 1 456 . 1 1 48 48 VAL HA H 1 3.73 0.05 . 1 . . . . 48 VAL HA . 27058 1 457 . 1 1 48 48 VAL HB H 1 2.19 0.05 . 1 . . . . 48 VAL HB . 27058 1 458 . 1 1 48 48 VAL HG11 H 1 1.10 0.05 . 2 . . . . 48 VAL HG1 . 27058 1 459 . 1 1 48 48 VAL HG12 H 1 1.10 0.05 . 2 . . . . 48 VAL HG1 . 27058 1 460 . 1 1 48 48 VAL HG13 H 1 1.10 0.05 . 2 . . . . 48 VAL HG1 . 27058 1 461 . 1 1 48 48 VAL HG21 H 1 1.00 0.05 . 2 . . . . 48 VAL HG2 . 27058 1 462 . 1 1 48 48 VAL HG22 H 1 1.00 0.05 . 2 . . . . 48 VAL HG2 . 27058 1 463 . 1 1 48 48 VAL HG23 H 1 1.00 0.05 . 2 . . . . 48 VAL HG2 . 27058 1 464 . 1 1 48 48 VAL C C 13 178.63 0.02 . 1 . . . . 48 VAL C . 27058 1 465 . 1 1 48 48 VAL CA C 13 65.65 0.1 . 1 . . . . 48 VAL CA . 27058 1 466 . 1 1 48 48 VAL CB C 13 31.99 0.1 . 1 . . . . 48 VAL CB . 27058 1 467 . 1 1 48 48 VAL CG1 C 13 21.92 0.1 . 2 . . . . 48 VAL CG1 . 27058 1 468 . 1 1 48 48 VAL CG2 C 13 20.96 0.1 . 2 . . . . 48 VAL CG2 . 27058 1 469 . 1 1 48 48 VAL N N 15 119.86 0.02 . 1 . . . . 48 VAL N . 27058 1 470 . 1 1 49 49 MET H H 1 8.10 0.02 . 1 . . . . 49 MET H . 27058 1 471 . 1 1 49 49 MET HA H 1 4.29 0.05 . 1 . . . . 49 MET HA . 27058 1 472 . 1 1 49 49 MET C C 13 177.99 0.02 . 1 . . . . 49 MET C . 27058 1 473 . 1 1 49 49 MET CA C 13 57.62 0.1 . 1 . . . . 49 MET CA . 27058 1 474 . 1 1 49 49 MET CB C 13 32.11 0.1 . 1 . . . . 49 MET CB . 27058 1 475 . 1 1 49 49 MET N N 15 119.39 0.02 . 1 . . . . 49 MET N . 27058 1 476 . 1 1 50 50 ARG H H 1 8.08 0.02 . 1 . . . . 50 ARG H . 27058 1 477 . 1 1 50 50 ARG HA H 1 4.15 0.05 . 1 . . . . 50 ARG HA . 27058 1 478 . 1 1 50 50 ARG C C 13 178.47 0.02 . 1 . . . . 50 ARG C . 27058 1 479 . 1 1 50 50 ARG CA C 13 59.15 0.1 . 1 . . . . 50 ARG CA . 27058 1 480 . 1 1 50 50 ARG CB C 13 30.03 0.1 . 1 . . . . 50 ARG CB . 27058 1 481 . 1 1 50 50 ARG CG C 13 27.14 0.1 . 1 . . . . 50 ARG CG . 27058 1 482 . 1 1 50 50 ARG CD C 13 43.05 0.1 . 1 . . . . 50 ARG CD . 27058 1 483 . 1 1 50 50 ARG N N 15 121.78 0.02 . 1 . . . . 50 ARG N . 27058 1 484 . 1 1 51 51 ILE H H 1 8.17 0.02 . 1 . . . . 51 ILE H . 27058 1 485 . 1 1 51 51 ILE HA H 1 3.81 0.05 . 1 . . . . 51 ILE HA . 27058 1 486 . 1 1 51 51 ILE C C 13 178.31 0.02 . 1 . . . . 51 ILE C . 27058 1 487 . 1 1 51 51 ILE CA C 13 64.28 0.1 . 1 . . . . 51 ILE CA . 27058 1 488 . 1 1 51 51 ILE CB C 13 38.07 0.1 . 1 . . . . 51 ILE CB . 27058 1 489 . 1 1 51 51 ILE CG2 C 13 17.24 0.1 . 1 . . . . 51 ILE CG2 . 27058 1 490 . 1 1 51 51 ILE CD1 C 13 13.01 0.1 . 1 . . . . 51 ILE CD1 . 27058 1 491 . 1 1 51 51 ILE N N 15 120.47 0.02 . 1 . . . . 51 ILE N . 27058 1 492 . 1 1 52 52 LYS H H 1 8.05 0.02 . 1 . . . . 52 LYS H . 27058 1 493 . 1 1 52 52 LYS HA H 1 4.04 0.05 . 1 . . . . 52 LYS HA . 27058 1 494 . 1 1 52 52 LYS C C 13 179.62 0.02 . 1 . . . . 52 LYS C . 27058 1 495 . 1 1 52 52 LYS CA C 13 59.73 0.1 . 1 . . . . 52 LYS CA . 27058 1 496 . 1 1 52 52 LYS CB C 13 32.69 0.1 . 1 . . . . 52 LYS CB . 27058 1 497 . 1 1 52 52 LYS CE C 13 42.07 0.1 . 1 . . . . 52 LYS CE . 27058 1 498 . 1 1 52 52 LYS N N 15 120.84 0.02 . 1 . . . . 52 LYS N . 27058 1 499 . 1 1 53 53 GLN H H 1 8.30 0.02 . 1 . . . . 53 GLN H . 27058 1 500 . 1 1 53 53 GLN HA H 1 4.20 0.05 . 1 . . . . 53 GLN HA . 27058 1 501 . 1 1 53 53 GLN C C 13 178.77 0.02 . 1 . . . . 53 GLN C . 27058 1 502 . 1 1 53 53 GLN CA C 13 58.36 0.1 . 1 . . . . 53 GLN CA . 27058 1 503 . 1 1 53 53 GLN CB C 13 28.43 0.1 . 1 . . . . 53 GLN CB . 27058 1 504 . 1 1 53 53 GLN CG C 13 33.95 0.1 . 1 . . . . 53 GLN CG . 27058 1 505 . 1 1 53 53 GLN N N 15 120.41 0.02 . 1 . . . . 53 GLN N . 27058 1 506 . 1 1 54 54 GLU H H 1 8.67 0.02 . 1 . . . . 54 GLU H . 27058 1 507 . 1 1 54 54 GLU HA H 1 4.13 0.05 . 1 . . . . 54 GLU HA . 27058 1 508 . 1 1 54 54 GLU C C 13 179.72 0.02 . 1 . . . . 54 GLU C . 27058 1 509 . 1 1 54 54 GLU CA C 13 59.04 0.1 . 1 . . . . 54 GLU CA . 27058 1 510 . 1 1 54 54 GLU CB C 13 29.61 0.1 . 1 . . . . 54 GLU CB . 27058 1 511 . 1 1 54 54 GLU CG C 13 36.54 0.1 . 1 . . . . 54 GLU CG . 27058 1 512 . 1 1 54 54 GLU N N 15 122.61 0.02 . 1 . . . . 54 GLU N . 27058 1 513 . 1 1 55 55 LYS H H 1 8.53 0.02 . 1 . . . . 55 LYS H . 27058 1 514 . 1 1 55 55 LYS HA H 1 4.16 0.05 . 1 . . . . 55 LYS HA . 27058 1 515 . 1 1 55 55 LYS HB2 H 1 1.92 0.05 . 2 . . . . 55 LYS HB2 . 27058 1 516 . 1 1 55 55 LYS HB3 H 1 1.92 0.05 . 2 . . . . 55 LYS HB3 . 27058 1 517 . 1 1 55 55 LYS C C 13 179.18 0.02 . 1 . . . . 55 LYS C . 27058 1 518 . 1 1 55 55 LYS CA C 13 59.06 0.1 . 1 . . . . 55 LYS CA . 27058 1 519 . 1 1 55 55 LYS CB C 13 32.72 0.1 . 1 . . . . 55 LYS CB . 27058 1 520 . 1 1 55 55 LYS CG C 13 25.60 0.1 . 1 . . . . 55 LYS CG . 27058 1 521 . 1 1 55 55 LYS CD C 13 29.60 0.1 . 1 . . . . 55 LYS CD . 27058 1 522 . 1 1 55 55 LYS CE C 13 42.16 0.1 . 1 . . . . 55 LYS CE . 27058 1 523 . 1 1 55 55 LYS N N 15 121.18 0.02 . 1 . . . . 55 LYS N . 27058 1 524 . 1 1 56 56 ALA H H 1 8.10 0.02 . 1 . . . . 56 ALA H . 27058 1 525 . 1 1 56 56 ALA HA H 1 4.23 0.05 . 1 . . . . 56 ALA HA . 27058 1 526 . 1 1 56 56 ALA HB1 H 1 1.52 0.05 . 1 . . . . 56 ALA HB . 27058 1 527 . 1 1 56 56 ALA HB2 H 1 1.52 0.05 . 1 . . . . 56 ALA HB . 27058 1 528 . 1 1 56 56 ALA HB3 H 1 1.52 0.05 . 1 . . . . 56 ALA HB . 27058 1 529 . 1 1 56 56 ALA C C 13 180.26 0.02 . 1 . . . . 56 ALA C . 27058 1 530 . 1 1 56 56 ALA CA C 13 54.78 0.1 . 1 . . . . 56 ALA CA . 27058 1 531 . 1 1 56 56 ALA CB C 13 18.06 0.1 . 1 . . . . 56 ALA CB . 27058 1 532 . 1 1 56 56 ALA N N 15 123.27 0.02 . 1 . . . . 56 ALA N . 27058 1 533 . 1 1 57 57 ALA H H 1 8.28 0.02 . 1 . . . . 57 ALA H . 27058 1 534 . 1 1 57 57 ALA HA H 1 4.20 0.05 . 1 . . . . 57 ALA HA . 27058 1 535 . 1 1 57 57 ALA HB1 H 1 1.53 0.05 . 1 . . . . 57 ALA HB . 27058 1 536 . 1 1 57 57 ALA HB2 H 1 1.53 0.05 . 1 . . . . 57 ALA HB . 27058 1 537 . 1 1 57 57 ALA HB3 H 1 1.53 0.05 . 1 . . . . 57 ALA HB . 27058 1 538 . 1 1 57 57 ALA C C 13 179.87 0.02 . 1 . . . . 57 ALA C . 27058 1 539 . 1 1 57 57 ALA CA C 13 54.59 0.1 . 1 . . . . 57 ALA CA . 27058 1 540 . 1 1 57 57 ALA CB C 13 18.07 0.1 . 1 . . . . 57 ALA CB . 27058 1 541 . 1 1 57 57 ALA N N 15 122.71 0.02 . 1 . . . . 57 ALA N . 27058 1 542 . 1 1 58 58 ALA H H 1 8.12 0.02 . 1 . . . . 58 ALA H . 27058 1 543 . 1 1 58 58 ALA HA H 1 4.23 0.05 . 1 . . . . 58 ALA HA . 27058 1 544 . 1 1 58 58 ALA HB1 H 1 1.51 0.05 . 1 . . . . 58 ALA HB . 27058 1 545 . 1 1 58 58 ALA HB2 H 1 1.51 0.05 . 1 . . . . 58 ALA HB . 27058 1 546 . 1 1 58 58 ALA HB3 H 1 1.51 0.05 . 1 . . . . 58 ALA HB . 27058 1 547 . 1 1 58 58 ALA C C 13 180.43 0.02 . 1 . . . . 58 ALA C . 27058 1 548 . 1 1 58 58 ALA CA C 13 54.37 0.1 . 1 . . . . 58 ALA CA . 27058 1 549 . 1 1 58 58 ALA CB C 13 18.06 0.1 . 1 . . . . 58 ALA CB . 27058 1 550 . 1 1 58 58 ALA N N 15 121.83 0.02 . 1 . . . . 58 ALA N . 27058 1 551 . 1 1 59 59 LYS H H 1 8.03 0.02 . 1 . . . . 59 LYS H . 27058 1 552 . 1 1 59 59 LYS HA H 1 4.21 0.05 . 1 . . . . 59 LYS HA . 27058 1 553 . 1 1 59 59 LYS HB2 H 1 1.94 0.05 . 2 . . . . 59 LYS HB2 . 27058 1 554 . 1 1 59 59 LYS HB3 H 1 1.94 0.05 . 2 . . . . 59 LYS HB3 . 27058 1 555 . 1 1 59 59 LYS C C 13 178.21 0.02 . 1 . . . . 59 LYS C . 27058 1 556 . 1 1 59 59 LYS CA C 13 59.04 0.1 . 1 . . . . 59 LYS CA . 27058 1 557 . 1 1 59 59 LYS CB C 13 32.43 0.1 . 1 . . . . 59 LYS CB . 27058 1 558 . 1 1 59 59 LYS CG C 13 24.83 0.1 . 1 . . . . 59 LYS CG . 27058 1 559 . 1 1 59 59 LYS CD C 13 29.50 0.1 . 1 . . . . 59 LYS CD . 27058 1 560 . 1 1 59 59 LYS CE C 13 42.14 0.1 . 1 . . . . 59 LYS CE . 27058 1 561 . 1 1 59 59 LYS N N 15 121.06 0.02 . 1 . . . . 59 LYS N . 27058 1 562 . 1 1 60 60 LYS H H 1 7.94 0.02 . 1 . . . . 60 LYS H . 27058 1 563 . 1 1 60 60 LYS HA H 1 4.18 0.05 . 1 . . . . 60 LYS HA . 27058 1 564 . 1 1 60 60 LYS C C 13 179.57 0.02 . 1 . . . . 60 LYS C . 27058 1 565 . 1 1 60 60 LYS CA C 13 59.07 0.1 . 1 . . . . 60 LYS CA . 27058 1 566 . 1 1 60 60 LYS CB C 13 32.37 0.1 . 1 . . . . 60 LYS CB . 27058 1 567 . 1 1 60 60 LYS CE C 13 43.29 0.1 . 1 . . . . 60 LYS CE . 27058 1 568 . 1 1 60 60 LYS N N 15 120.15 0.02 . 1 . . . . 60 LYS N . 27058 1 569 . 1 1 61 61 GLU H H 1 8.26 0.02 . 1 . . . . 61 GLU H . 27058 1 570 . 1 1 61 61 GLU HA H 1 4.16 0.05 . 1 . . . . 61 GLU HA . 27058 1 571 . 1 1 61 61 GLU HB2 H 1 2.12 0.05 . 2 . . . . 61 GLU HB2 . 27058 1 572 . 1 1 61 61 GLU HB3 H 1 2.12 0.05 . 2 . . . . 61 GLU HB3 . 27058 1 573 . 1 1 61 61 GLU HG2 H 1 2.40 0.05 . 2 . . . . 61 GLU HG2 . 27058 1 574 . 1 1 61 61 GLU HG3 H 1 2.31 0.05 . 2 . . . . 61 GLU HG3 . 27058 1 575 . 1 1 61 61 GLU C C 13 178.96 0.02 . 1 . . . . 61 GLU C . 27058 1 576 . 1 1 61 61 GLU CA C 13 59.01 0.1 . 1 . . . . 61 GLU CA . 27058 1 577 . 1 1 61 61 GLU CB C 13 29.49 0.1 . 1 . . . . 61 GLU CB . 27058 1 578 . 1 1 61 61 GLU CG C 13 36.19 0.1 . 1 . . . . 61 GLU CG . 27058 1 579 . 1 1 61 61 GLU N N 15 120.37 0.02 . 1 . . . . 61 GLU N . 27058 1 580 . 1 1 62 62 ALA H H 1 8.23 0.02 . 1 . . . . 62 ALA H . 27058 1 581 . 1 1 62 62 ALA HA H 1 4.28 0.05 . 1 . . . . 62 ALA HA . 27058 1 582 . 1 1 62 62 ALA HB1 H 1 1.56 0.05 . 1 . . . . 62 ALA HB . 27058 1 583 . 1 1 62 62 ALA HB2 H 1 1.56 0.05 . 1 . . . . 62 ALA HB . 27058 1 584 . 1 1 62 62 ALA HB3 H 1 1.56 0.05 . 1 . . . . 62 ALA HB . 27058 1 585 . 1 1 62 62 ALA C C 13 181.14 0.02 . 1 . . . . 62 ALA C . 27058 1 586 . 1 1 62 62 ALA CA C 13 54.54 0.1 . 1 . . . . 62 ALA CA . 27058 1 587 . 1 1 62 62 ALA CB C 13 18.03 0.1 . 1 . . . . 62 ALA CB . 27058 1 588 . 1 1 62 62 ALA N N 15 123.66 0.02 . 1 . . . . 62 ALA N . 27058 1 589 . 1 1 63 63 GLU H H 1 8.46 0.02 . 1 . . . . 63 GLU H . 27058 1 590 . 1 1 63 63 GLU HA H 1 4.10 0.05 . 1 . . . . 63 GLU HA . 27058 1 591 . 1 1 63 63 GLU C C 13 179.36 0.02 . 1 . . . . 63 GLU C . 27058 1 592 . 1 1 63 63 GLU CA C 13 59.04 0.1 . 1 . . . . 63 GLU CA . 27058 1 593 . 1 1 63 63 GLU CB C 13 29.47 0.1 . 1 . . . . 63 GLU CB . 27058 1 594 . 1 1 63 63 GLU CG C 13 36.79 0.1 . 1 . . . . 63 GLU CG . 27058 1 595 . 1 1 63 63 GLU N N 15 120.34 0.02 . 1 . . . . 63 GLU N . 27058 1 596 . 1 1 64 64 ALA H H 1 8.21 0.02 . 1 . . . . 64 ALA H . 27058 1 597 . 1 1 64 64 ALA HA H 1 4.26 0.05 . 1 . . . . 64 ALA HA . 27058 1 598 . 1 1 64 64 ALA HB1 H 1 1.53 0.05 . 1 . . . . 64 ALA HB . 27058 1 599 . 1 1 64 64 ALA HB2 H 1 1.53 0.05 . 1 . . . . 64 ALA HB . 27058 1 600 . 1 1 64 64 ALA HB3 H 1 1.53 0.05 . 1 . . . . 64 ALA HB . 27058 1 601 . 1 1 64 64 ALA C C 13 180.51 0.02 . 1 . . . . 64 ALA C . 27058 1 602 . 1 1 64 64 ALA CA C 13 54.82 0.1 . 1 . . . . 64 ALA CA . 27058 1 603 . 1 1 64 64 ALA CB C 13 18.05 0.1 . 1 . . . . 64 ALA CB . 27058 1 604 . 1 1 64 64 ALA N N 15 123.93 0.02 . 1 . . . . 64 ALA N . 27058 1 605 . 1 1 65 65 ALA H H 1 8.26 0.02 . 1 . . . . 65 ALA H . 27058 1 606 . 1 1 65 65 ALA HA H 1 4.23 0.05 . 1 . . . . 65 ALA HA . 27058 1 607 . 1 1 65 65 ALA HB1 H 1 1.52 0.05 . 1 . . . . 65 ALA HB . 27058 1 608 . 1 1 65 65 ALA HB2 H 1 1.52 0.05 . 1 . . . . 65 ALA HB . 27058 1 609 . 1 1 65 65 ALA HB3 H 1 1.52 0.05 . 1 . . . . 65 ALA HB . 27058 1 610 . 1 1 65 65 ALA C C 13 180.49 0.02 . 1 . . . . 65 ALA C . 27058 1 611 . 1 1 65 65 ALA CA C 13 54.35 0.1 . 1 . . . . 65 ALA CA . 27058 1 612 . 1 1 65 65 ALA CB C 13 17.90 0.1 . 1 . . . . 65 ALA CB . 27058 1 613 . 1 1 65 65 ALA N N 15 122.59 0.02 . 1 . . . . 65 ALA N . 27058 1 614 . 1 1 66 66 ALA H H 1 8.07 0.02 . 1 . . . . 66 ALA H . 27058 1 615 . 1 1 66 66 ALA HA H 1 4.22 0.05 . 1 . . . . 66 ALA HA . 27058 1 616 . 1 1 66 66 ALA HB1 H 1 1.50 0.05 . 1 . . . . 66 ALA HB . 27058 1 617 . 1 1 66 66 ALA HB2 H 1 1.50 0.05 . 1 . . . . 66 ALA HB . 27058 1 618 . 1 1 66 66 ALA HB3 H 1 1.50 0.05 . 1 . . . . 66 ALA HB . 27058 1 619 . 1 1 66 66 ALA C C 13 179.71 0.02 . 1 . . . . 66 ALA C . 27058 1 620 . 1 1 66 66 ALA CA C 13 54.66 0.1 . 1 . . . . 66 ALA CA . 27058 1 621 . 1 1 66 66 ALA CB C 13 17.95 0.1 . 1 . . . . 66 ALA CB . 27058 1 622 . 1 1 66 66 ALA N N 15 122.30 0.02 . 1 . . . . 66 ALA N . 27058 1 623 . 1 1 67 67 ALA H H 1 8.03 0.02 . 1 . . . . 67 ALA H . 27058 1 624 . 1 1 67 67 ALA HA H 1 4.22 0.05 . 1 . . . . 67 ALA HA . 27058 1 625 . 1 1 67 67 ALA HB1 H 1 1.51 0.05 . 1 . . . . 67 ALA HB . 27058 1 626 . 1 1 67 67 ALA HB2 H 1 1.51 0.05 . 1 . . . . 67 ALA HB . 27058 1 627 . 1 1 67 67 ALA HB3 H 1 1.51 0.05 . 1 . . . . 67 ALA HB . 27058 1 628 . 1 1 67 67 ALA C C 13 180.28 0.02 . 1 . . . . 67 ALA C . 27058 1 629 . 1 1 67 67 ALA CA C 13 54.09 0.1 . 1 . . . . 67 ALA CA . 27058 1 630 . 1 1 67 67 ALA CB C 13 17.96 0.1 . 1 . . . . 67 ALA CB . 27058 1 631 . 1 1 67 67 ALA N N 15 121.34 0.02 . 1 . . . . 67 ALA N . 27058 1 632 . 1 1 68 68 ALA H H 1 8.02 0.02 . 1 . . . . 68 ALA H . 27058 1 633 . 1 1 68 68 ALA HA H 1 4.22 0.05 . 1 . . . . 68 ALA HA . 27058 1 634 . 1 1 68 68 ALA HB1 H 1 1.49 0.05 . 1 . . . . 68 ALA HB . 27058 1 635 . 1 1 68 68 ALA HB2 H 1 1.49 0.05 . 1 . . . . 68 ALA HB . 27058 1 636 . 1 1 68 68 ALA HB3 H 1 1.49 0.05 . 1 . . . . 68 ALA HB . 27058 1 637 . 1 1 68 68 ALA C C 13 179.74 0.02 . 1 . . . . 68 ALA C . 27058 1 638 . 1 1 68 68 ALA CA C 13 53.82 0.1 . 1 . . . . 68 ALA CA . 27058 1 639 . 1 1 68 68 ALA CB C 13 18.07 0.1 . 1 . . . . 68 ALA CB . 27058 1 640 . 1 1 68 68 ALA N N 15 121.54 0.02 . 1 . . . . 68 ALA N . 27058 1 641 . 1 1 69 69 ALA H H 1 7.95 0.02 . 1 . . . . 69 ALA H . 27058 1 642 . 1 1 69 69 ALA HA H 1 4.19 0.05 . 1 . . . . 69 ALA HA . 27058 1 643 . 1 1 69 69 ALA HB1 H 1 1.48 0.05 . 1 . . . . 69 ALA HB . 27058 1 644 . 1 1 69 69 ALA HB2 H 1 1.48 0.05 . 1 . . . . 69 ALA HB . 27058 1 645 . 1 1 69 69 ALA HB3 H 1 1.48 0.05 . 1 . . . . 69 ALA HB . 27058 1 646 . 1 1 69 69 ALA C C 13 179.72 0.02 . 1 . . . . 69 ALA C . 27058 1 647 . 1 1 69 69 ALA CA C 13 54.53 0.1 . 1 . . . . 69 ALA CA . 27058 1 648 . 1 1 69 69 ALA CB C 13 18.19 0.1 . 1 . . . . 69 ALA CB . 27058 1 649 . 1 1 69 69 ALA N N 15 121.15 0.02 . 1 . . . . 69 ALA N . 27058 1 650 . 1 1 70 70 ASN H H 1 8.14 0.02 . 1 . . . . 70 ASN H . 27058 1 651 . 1 1 70 70 ASN HA H 1 4.59 0.05 . 1 . . . . 70 ASN HA . 27058 1 652 . 1 1 70 70 ASN HB2 H 1 2.84 0.05 . 2 . . . . 70 ASN HB2 . 27058 1 653 . 1 1 70 70 ASN HB3 H 1 2.84 0.05 . 2 . . . . 70 ASN HB3 . 27058 1 654 . 1 1 70 70 ASN C C 13 176.26 0.02 . 1 . . . . 70 ASN C . 27058 1 655 . 1 1 70 70 ASN CA C 13 54.60 0.1 . 1 . . . . 70 ASN CA . 27058 1 656 . 1 1 70 70 ASN CB C 13 38.62 0.1 . 1 . . . . 70 ASN CB . 27058 1 657 . 1 1 70 70 ASN N N 15 116.90 0.02 . 1 . . . . 70 ASN N . 27058 1 658 . 1 1 71 71 ALA H H 1 7.89 0.02 . 1 . . . . 71 ALA H . 27058 1 659 . 1 1 71 71 ALA HA H 1 4.24 0.05 . 1 . . . . 71 ALA HA . 27058 1 660 . 1 1 71 71 ALA HB1 H 1 1.48 0.05 . 1 . . . . 71 ALA HB . 27058 1 661 . 1 1 71 71 ALA HB2 H 1 1.48 0.05 . 1 . . . . 71 ALA HB . 27058 1 662 . 1 1 71 71 ALA HB3 H 1 1.48 0.05 . 1 . . . . 71 ALA HB . 27058 1 663 . 1 1 71 71 ALA C C 13 178.54 0.02 . 1 . . . . 71 ALA C . 27058 1 664 . 1 1 71 71 ALA CA C 13 53.52 0.1 . 1 . . . . 71 ALA CA . 27058 1 665 . 1 1 71 71 ALA CB C 13 18.60 0.1 . 1 . . . . 71 ALA CB . 27058 1 666 . 1 1 71 71 ALA N N 15 122.68 0.02 . 1 . . . . 71 ALA N . 27058 1 667 . 1 1 72 72 LYS H H 1 7.86 0.02 . 1 . . . . 72 LYS H . 27058 1 668 . 1 1 72 72 LYS HA H 1 4.23 0.05 . 1 . . . . 72 LYS HA . 27058 1 669 . 1 1 72 72 LYS HB2 H 1 1.84 0.05 . 2 . . . . 72 LYS HB2 . 27058 1 670 . 1 1 72 72 LYS HB3 H 1 1.84 0.05 . 2 . . . . 72 LYS HB3 . 27058 1 671 . 1 1 72 72 LYS HD2 H 1 1.70 0.05 . 2 . . . . 72 LYS HD2 . 27058 1 672 . 1 1 72 72 LYS HD3 H 1 1.70 0.05 . 2 . . . . 72 LYS HD3 . 27058 1 673 . 1 1 72 72 LYS HE2 H 1 2.99 0.05 . 2 . . . . 72 LYS HE2 . 27058 1 674 . 1 1 72 72 LYS HE3 H 1 2.99 0.05 . 2 . . . . 72 LYS HE3 . 27058 1 675 . 1 1 72 72 LYS C C 13 176.99 0.02 . 1 . . . . 72 LYS C . 27058 1 676 . 1 1 72 72 LYS CA C 13 56.89 0.1 . 1 . . . . 72 LYS CA . 27058 1 677 . 1 1 72 72 LYS CB C 13 32.90 0.1 . 1 . . . . 72 LYS CB . 27058 1 678 . 1 1 72 72 LYS CG C 13 24.96 0.1 . 1 . . . . 72 LYS CG . 27058 1 679 . 1 1 72 72 LYS CD C 13 29.19 0.1 . 1 . . . . 72 LYS CD . 27058 1 680 . 1 1 72 72 LYS CE C 13 42.19 0.1 . 1 . . . . 72 LYS CE . 27058 1 681 . 1 1 72 72 LYS N N 15 118.48 0.02 . 1 . . . . 72 LYS N . 27058 1 682 . 1 1 73 73 LYS H H 1 7.99 0.02 . 1 . . . . 73 LYS H . 27058 1 683 . 1 1 73 73 LYS HA H 1 4.28 0.05 . 1 . . . . 73 LYS HA . 27058 1 684 . 1 1 73 73 LYS HB2 H 1 1.84 0.05 . 2 . . . . 73 LYS HB2 . 27058 1 685 . 1 1 73 73 LYS HB3 H 1 1.84 0.05 . 2 . . . . 73 LYS HB3 . 27058 1 686 . 1 1 73 73 LYS HG2 H 1 1.52 0.05 . 2 . . . . 73 LYS HG2 . 27058 1 687 . 1 1 73 73 LYS HG3 H 1 1.41 0.05 . 2 . . . . 73 LYS HG3 . 27058 1 688 . 1 1 73 73 LYS HD2 H 1 1.71 0.05 . 2 . . . . 73 LYS HD2 . 27058 1 689 . 1 1 73 73 LYS HD3 H 1 1.71 0.05 . 2 . . . . 73 LYS HD3 . 27058 1 690 . 1 1 73 73 LYS HE2 H 1 3.00 0.05 . 2 . . . . 73 LYS HE2 . 27058 1 691 . 1 1 73 73 LYS HE3 H 1 3.00 0.05 . 2 . . . . 73 LYS HE3 . 27058 1 692 . 1 1 73 73 LYS C C 13 176.84 0.02 . 1 . . . . 73 LYS C . 27058 1 693 . 1 1 73 73 LYS CA C 13 56.84 0.1 . 1 . . . . 73 LYS CA . 27058 1 694 . 1 1 73 73 LYS CB C 13 33.00 0.1 . 1 . . . . 73 LYS CB . 27058 1 695 . 1 1 73 73 LYS CG C 13 24.90 0.1 . 1 . . . . 73 LYS CG . 27058 1 696 . 1 1 73 73 LYS CD C 13 29.37 0.1 . 1 . . . . 73 LYS CD . 27058 1 697 . 1 1 73 73 LYS CE C 13 42.21 0.1 . 1 . . . . 73 LYS CE . 27058 1 698 . 1 1 73 73 LYS N N 15 121.51 0.02 . 1 . . . . 73 LYS N . 27058 1 699 . 1 1 74 74 VAL H H 1 8.07 0.02 . 1 . . . . 74 VAL H . 27058 1 700 . 1 1 74 74 VAL HA H 1 4.09 0.05 . 1 . . . . 74 VAL HA . 27058 1 701 . 1 1 74 74 VAL HB H 1 2.09 0.05 . 1 . . . . 74 VAL HB . 27058 1 702 . 1 1 74 74 VAL HG11 H 1 0.95 0.05 . 2 . . . . 74 VAL HG1 . 27058 1 703 . 1 1 74 74 VAL HG12 H 1 0.95 0.05 . 2 . . . . 74 VAL HG1 . 27058 1 704 . 1 1 74 74 VAL HG13 H 1 0.95 0.05 . 2 . . . . 74 VAL HG1 . 27058 1 705 . 1 1 74 74 VAL HG21 H 1 0.95 0.05 . 2 . . . . 74 VAL HG2 . 27058 1 706 . 1 1 74 74 VAL HG22 H 1 0.95 0.05 . 2 . . . . 74 VAL HG2 . 27058 1 707 . 1 1 74 74 VAL HG23 H 1 0.95 0.05 . 2 . . . . 74 VAL HG2 . 27058 1 708 . 1 1 74 74 VAL C C 13 175.87 0.02 . 1 . . . . 74 VAL C . 27058 1 709 . 1 1 74 74 VAL CA C 13 62.16 0.1 . 1 . . . . 74 VAL CA . 27058 1 710 . 1 1 74 74 VAL CB C 13 32.68 0.1 . 1 . . . . 74 VAL CB . 27058 1 711 . 1 1 74 74 VAL CG1 C 13 21.08 0.1 . 2 . . . . 74 VAL CG1 . 27058 1 712 . 1 1 74 74 VAL CG2 C 13 20.49 0.1 . 2 . . . . 74 VAL CG2 . 27058 1 713 . 1 1 74 74 VAL N N 15 120.56 0.02 . 1 . . . . 74 VAL N . 27058 1 714 . 1 1 75 75 ALA H H 1 8.31 0.02 . 1 . . . . 75 ALA H . 27058 1 715 . 1 1 75 75 ALA HA H 1 4.29 0.05 . 1 . . . . 75 ALA HA . 27058 1 716 . 1 1 75 75 ALA HB1 H 1 1.38 0.05 . 1 . . . . 75 ALA HB . 27058 1 717 . 1 1 75 75 ALA HB2 H 1 1.38 0.05 . 1 . . . . 75 ALA HB . 27058 1 718 . 1 1 75 75 ALA HB3 H 1 1.38 0.05 . 1 . . . . 75 ALA HB . 27058 1 719 . 1 1 75 75 ALA C C 13 177.42 0.02 . 1 . . . . 75 ALA C . 27058 1 720 . 1 1 75 75 ALA CA C 13 52.05 0.1 . 1 . . . . 75 ALA CA . 27058 1 721 . 1 1 75 75 ALA CB C 13 19.23 0.1 . 1 . . . . 75 ALA CB . 27058 1 722 . 1 1 75 75 ALA N N 15 128.02 0.02 . 1 . . . . 75 ALA N . 27058 1 723 . 1 1 76 76 LYS H H 1 8.36 0.02 . 1 . . . . 76 LYS H . 27058 1 724 . 1 1 76 76 LYS HA H 1 4.30 0.05 . 1 . . . . 76 LYS HA . 27058 1 725 . 1 1 76 76 LYS HB2 H 1 1.78 0.05 . 2 . . . . 76 LYS HB2 . 27058 1 726 . 1 1 76 76 LYS HB3 H 1 1.78 0.05 . 2 . . . . 76 LYS HB3 . 27058 1 727 . 1 1 76 76 LYS HG2 H 1 1.42 0.05 . 2 . . . . 76 LYS HG2 . 27058 1 728 . 1 1 76 76 LYS HG3 H 1 1.42 0.05 . 2 . . . . 76 LYS HG3 . 27058 1 729 . 1 1 76 76 LYS HD2 H 1 1.71 0.05 . 2 . . . . 76 LYS HD2 . 27058 1 730 . 1 1 76 76 LYS HD3 H 1 1.71 0.05 . 2 . . . . 76 LYS HD3 . 27058 1 731 . 1 1 76 76 LYS HE2 H 1 3.00 0.05 . 2 . . . . 76 LYS HE2 . 27058 1 732 . 1 1 76 76 LYS HE3 H 1 3.00 0.05 . 2 . . . . 76 LYS HE3 . 27058 1 733 . 1 1 76 76 LYS C C 13 176.33 0.02 . 1 . . . . 76 LYS C . 27058 1 734 . 1 1 76 76 LYS CA C 13 56.17 0.1 . 1 . . . . 76 LYS CA . 27058 1 735 . 1 1 76 76 LYS CB C 13 33.17 0.1 . 1 . . . . 76 LYS CB . 27058 1 736 . 1 1 76 76 LYS CG C 13 24.61 0.1 . 1 . . . . 76 LYS CG . 27058 1 737 . 1 1 76 76 LYS CD C 13 29.14 0.1 . 1 . . . . 76 LYS CD . 27058 1 738 . 1 1 76 76 LYS CE C 13 42.10 0.1 . 1 . . . . 76 LYS CE . 27058 1 739 . 1 1 76 76 LYS N N 15 121.72 0.02 . 1 . . . . 76 LYS N . 27058 1 740 . 1 1 77 77 VAL H H 1 8.33 0.02 . 1 . . . . 77 VAL H . 27058 1 741 . 1 1 77 77 VAL HA H 1 4.07 0.05 . 1 . . . . 77 VAL HA . 27058 1 742 . 1 1 77 77 VAL HB H 1 2.00 0.05 . 1 . . . . 77 VAL HB . 27058 1 743 . 1 1 77 77 VAL HG11 H 1 0.90 0.05 . 2 . . . . 77 VAL HG1 . 27058 1 744 . 1 1 77 77 VAL HG12 H 1 0.90 0.05 . 2 . . . . 77 VAL HG1 . 27058 1 745 . 1 1 77 77 VAL HG13 H 1 0.90 0.05 . 2 . . . . 77 VAL HG1 . 27058 1 746 . 1 1 77 77 VAL HG21 H 1 0.90 0.05 . 2 . . . . 77 VAL HG2 . 27058 1 747 . 1 1 77 77 VAL HG22 H 1 0.90 0.05 . 2 . . . . 77 VAL HG2 . 27058 1 748 . 1 1 77 77 VAL HG23 H 1 0.90 0.05 . 2 . . . . 77 VAL HG2 . 27058 1 749 . 1 1 77 77 VAL C C 13 175.54 0.02 . 1 . . . . 77 VAL C . 27058 1 750 . 1 1 77 77 VAL CA C 13 61.96 0.1 . 1 . . . . 77 VAL CA . 27058 1 751 . 1 1 77 77 VAL CB C 13 32.97 0.1 . 1 . . . . 77 VAL CB . 27058 1 752 . 1 1 77 77 VAL CG1 C 13 20.86 0.1 . 2 . . . . 77 VAL CG1 . 27058 1 753 . 1 1 77 77 VAL CG2 C 13 20.86 0.1 . 2 . . . . 77 VAL CG2 . 27058 1 754 . 1 1 77 77 VAL N N 15 123.10 0.02 . 1 . . . . 77 VAL N . 27058 1 755 . 1 1 78 78 ASP H H 1 8.61 0.02 . 1 . . . . 78 ASP H . 27058 1 756 . 1 1 78 78 ASP HA H 1 4.88 0.05 . 1 . . . . 78 ASP HA . 27058 1 757 . 1 1 78 78 ASP C C 13 174.88 0.02 . 1 . . . . 78 ASP C . 27058 1 758 . 1 1 78 78 ASP CA C 13 51.90 0.1 . 1 . . . . 78 ASP CA . 27058 1 759 . 1 1 78 78 ASP CB C 13 41.26 0.1 . 1 . . . . 78 ASP CB . 27058 1 760 . 1 1 78 78 ASP N N 15 126.86 0.02 . 1 . . . . 78 ASP N . 27058 1 761 . 1 1 79 79 PRO HA H 1 4.39 0.05 . 1 . . . . 79 PRO HA . 27058 1 762 . 1 1 79 79 PRO HB2 H 1 2.32 0.05 . 2 . . . . 79 PRO HB2 . 27058 1 763 . 1 1 79 79 PRO HB3 H 1 2.32 0.05 . 2 . . . . 79 PRO HB3 . 27058 1 764 . 1 1 79 79 PRO HG2 H 1 1.98 0.05 . 2 . . . . 79 PRO HG2 . 27058 1 765 . 1 1 79 79 PRO HG3 H 1 1.98 0.05 . 2 . . . . 79 PRO HG3 . 27058 1 766 . 1 1 79 79 PRO HD2 H 1 3.87 0.05 . 2 . . . . 79 PRO HD2 . 27058 1 767 . 1 1 79 79 PRO HD3 H 1 3.87 0.05 . 2 . . . . 79 PRO HD3 . 27058 1 768 . 1 1 79 79 PRO C C 13 177.13 0.02 . 1 . . . . 79 PRO C . 27058 1 769 . 1 1 79 79 PRO CA C 13 63.42 0.1 . 1 . . . . 79 PRO CA . 27058 1 770 . 1 1 79 79 PRO CB C 13 32.24 0.1 . 1 . . . . 79 PRO CB . 27058 1 771 . 1 1 79 79 PRO CG C 13 27.25 0.1 . 1 . . . . 79 PRO CG . 27058 1 772 . 1 1 79 79 PRO CD C 13 50.88 0.1 . 1 . . . . 79 PRO CD . 27058 1 773 . 1 1 80 80 LEU H H 1 8.37 0.02 . 1 . . . . 80 LEU H . 27058 1 774 . 1 1 80 80 LEU HA H 1 4.28 0.05 . 1 . . . . 80 LEU HA . 27058 1 775 . 1 1 80 80 LEU HD11 H 1 0.92 0.05 . 2 . . . . 80 LEU HD1 . 27058 1 776 . 1 1 80 80 LEU HD12 H 1 0.92 0.05 . 2 . . . . 80 LEU HD1 . 27058 1 777 . 1 1 80 80 LEU HD13 H 1 0.92 0.05 . 2 . . . . 80 LEU HD1 . 27058 1 778 . 1 1 80 80 LEU HD21 H 1 0.92 0.05 . 2 . . . . 80 LEU HD2 . 27058 1 779 . 1 1 80 80 LEU HD22 H 1 0.92 0.05 . 2 . . . . 80 LEU HD2 . 27058 1 780 . 1 1 80 80 LEU HD23 H 1 0.92 0.05 . 2 . . . . 80 LEU HD2 . 27058 1 781 . 1 1 80 80 LEU C C 13 177.45 0.02 . 1 . . . . 80 LEU C . 27058 1 782 . 1 1 80 80 LEU CA C 13 55.19 0.1 . 1 . . . . 80 LEU CA . 27058 1 783 . 1 1 80 80 LEU CB C 13 41.76 0.1 . 1 . . . . 80 LEU CB . 27058 1 784 . 1 1 80 80 LEU CG C 13 26.99 0.1 . 1 . . . . 80 LEU CG . 27058 1 785 . 1 1 80 80 LEU CD1 C 13 24.92 0.1 . 2 . . . . 80 LEU CD1 . 27058 1 786 . 1 1 80 80 LEU CD2 C 13 23.15 0.1 . 2 . . . . 80 LEU CD2 . 27058 1 787 . 1 1 80 80 LEU N N 15 120.25 0.02 . 1 . . . . 80 LEU N . 27058 1 788 . 1 1 81 81 LYS H H 1 8.03 0.02 . 1 . . . . 81 LYS H . 27058 1 789 . 1 1 81 81 LYS HA H 1 4.34 0.05 . 1 . . . . 81 LYS HA . 27058 1 790 . 1 1 81 81 LYS HB2 H 1 1.89 0.05 . 2 . . . . 81 LYS HB2 . 27058 1 791 . 1 1 81 81 LYS HB3 H 1 1.89 0.05 . 2 . . . . 81 LYS HB3 . 27058 1 792 . 1 1 81 81 LYS HG2 H 1 1.41 0.05 . 2 . . . . 81 LYS HG2 . 27058 1 793 . 1 1 81 81 LYS HG3 H 1 1.41 0.05 . 2 . . . . 81 LYS HG3 . 27058 1 794 . 1 1 81 81 LYS HD2 H 1 1.70 0.05 . 2 . . . . 81 LYS HD2 . 27058 1 795 . 1 1 81 81 LYS HD3 H 1 1.70 0.05 . 2 . . . . 81 LYS HD3 . 27058 1 796 . 1 1 81 81 LYS HE2 H 1 2.99 0.05 . 2 . . . . 81 LYS HE2 . 27058 1 797 . 1 1 81 81 LYS HE3 H 1 2.99 0.05 . 2 . . . . 81 LYS HE3 . 27058 1 798 . 1 1 81 81 LYS C C 13 175.39 0.02 . 1 . . . . 81 LYS C . 27058 1 799 . 1 1 81 81 LYS CA C 13 55.95 0.1 . 1 . . . . 81 LYS CA . 27058 1 800 . 1 1 81 81 LYS CB C 13 33.13 0.1 . 1 . . . . 81 LYS CB . 27058 1 801 . 1 1 81 81 LYS CG C 13 24.62 0.1 . 1 . . . . 81 LYS CG . 27058 1 802 . 1 1 81 81 LYS CD C 13 29.03 0.1 . 1 . . . . 81 LYS CD . 27058 1 803 . 1 1 81 81 LYS CE C 13 42.17 0.1 . 1 . . . . 81 LYS CE . 27058 1 804 . 1 1 81 81 LYS N N 15 122.33 0.02 . 1 . . . . 81 LYS N . 27058 1 805 . 1 1 82 82 MET H H 1 8.10 0.02 . 1 . . . . 82 MET H . 27058 1 806 . 1 1 82 82 MET N N 15 119.39 0.02 . 1 . . . . 82 MET N . 27058 1 stop_ save_