data_26544 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26544 _Entry.Title ; Prostate associated gene 4 (PAGE4) Wild Type ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-20 _Entry.Accession_date 2015-03-20 _Entry.Last_release_date 2016-10-05 _Entry.Original_release_date 2016-10-05 _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 Yanan He . . . . 26544 2 Yihong Chen . . . . 26544 3 Steven Mooney . . . . 26544 4 Krithika Rajagopalan . . . . 26544 5 Ajay Bhargava . . . . 26544 6 Elizabeth Sacho . . . . 26544 7 Keith Weninger . . . . 26544 8 Prakash Kulkarni . . . . 26544 9 John Orban . . . . 26544 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26544 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 341 26544 '15N chemical shifts' 88 26544 '1H chemical shifts' 395 26544 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 . . 2016-10-05 . original BMRB . 26544 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26545 'Prostate associated gene 4 phosphorylated' 26544 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26544 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26242913 _Citation.Full_citation . _Citation.Title ; Phosphorylation-induced Conformational Ensemble Switching in an Intrinsically Disordered Cancer/Testis Antigen ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 41 _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 25090 _Citation.Page_last 25102 _Citation.Year 2015 _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 Yanan He . . . . 26544 1 2 Yihong Chen . . . . 26544 1 3 Steven Mooney . . . . 26544 1 4 Krithika Rajagopalan . . . . 26544 1 5 Ajay Bhargava . . . . 26544 1 6 Elizabeth Sacho . . . . 26544 1 7 Keith Weninger . . . . 26544 1 8 Philip Bryan . N. . . 26544 1 9 Prakash Kulkarni . . . . 26544 1 10 John Orban . . . . 26544 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26544 _Assembly.ID 1 _Assembly.Name 'Prostate associated gene 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 entity 1 $entity A . yes native no no . . . 26544 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 26544 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prostate_associated_gene_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 ; MSARVRSRSRGRGDGQEAPD VVAFVAPGESQQEEPPTDNQ DIEPGQEREGTPPIEERKVE GDCQEMDLEKTRSERGDGSD VKEKTPPNPKHAKTKEAGDG QP ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 26544 1 2 . SER . 26544 1 3 . ALA . 26544 1 4 . ARG . 26544 1 5 . VAL . 26544 1 6 . ARG . 26544 1 7 . SER . 26544 1 8 . ARG . 26544 1 9 . SER . 26544 1 10 . ARG . 26544 1 11 . GLY . 26544 1 12 . ARG . 26544 1 13 . GLY . 26544 1 14 . ASP . 26544 1 15 . GLY . 26544 1 16 . GLN . 26544 1 17 . GLU . 26544 1 18 . ALA . 26544 1 19 . PRO . 26544 1 20 . ASP . 26544 1 21 . VAL . 26544 1 22 . VAL . 26544 1 23 . ALA . 26544 1 24 . PHE . 26544 1 25 . VAL . 26544 1 26 . ALA . 26544 1 27 . PRO . 26544 1 28 . GLY . 26544 1 29 . GLU . 26544 1 30 . SER . 26544 1 31 . GLN . 26544 1 32 . GLN . 26544 1 33 . GLU . 26544 1 34 . GLU . 26544 1 35 . PRO . 26544 1 36 . PRO . 26544 1 37 . THR . 26544 1 38 . ASP . 26544 1 39 . ASN . 26544 1 40 . GLN . 26544 1 41 . ASP . 26544 1 42 . ILE . 26544 1 43 . GLU . 26544 1 44 . PRO . 26544 1 45 . GLY . 26544 1 46 . GLN . 26544 1 47 . GLU . 26544 1 48 . ARG . 26544 1 49 . GLU . 26544 1 50 . GLY . 26544 1 51 . THR . 26544 1 52 . PRO . 26544 1 53 . PRO . 26544 1 54 . ILE . 26544 1 55 . GLU . 26544 1 56 . GLU . 26544 1 57 . ARG . 26544 1 58 . LYS . 26544 1 59 . VAL . 26544 1 60 . GLU . 26544 1 61 . GLY . 26544 1 62 . ASP . 26544 1 63 . CYS . 26544 1 64 . GLN . 26544 1 65 . GLU . 26544 1 66 . MET . 26544 1 67 . ASP . 26544 1 68 . LEU . 26544 1 69 . GLU . 26544 1 70 . LYS . 26544 1 71 . THR . 26544 1 72 . ARG . 26544 1 73 . SER . 26544 1 74 . GLU . 26544 1 75 . ARG . 26544 1 76 . GLY . 26544 1 77 . ASP . 26544 1 78 . GLY . 26544 1 79 . SER . 26544 1 80 . ASP . 26544 1 81 . VAL . 26544 1 82 . LYS . 26544 1 83 . GLU . 26544 1 84 . LYS . 26544 1 85 . THR . 26544 1 86 . PRO . 26544 1 87 . PRO . 26544 1 88 . ASN . 26544 1 89 . PRO . 26544 1 90 . LYS . 26544 1 91 . HIS . 26544 1 92 . ALA . 26544 1 93 . LYS . 26544 1 94 . THR . 26544 1 95 . LYS . 26544 1 96 . GLU . 26544 1 97 . ALA . 26544 1 98 . GLY . 26544 1 99 . ASP . 26544 1 100 . GLY . 26544 1 101 . GLN . 26544 1 102 . PRO . 26544 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 26544 1 . SER 2 2 26544 1 . ALA 3 3 26544 1 . ARG 4 4 26544 1 . VAL 5 5 26544 1 . ARG 6 6 26544 1 . SER 7 7 26544 1 . ARG 8 8 26544 1 . SER 9 9 26544 1 . ARG 10 10 26544 1 . GLY 11 11 26544 1 . ARG 12 12 26544 1 . GLY 13 13 26544 1 . ASP 14 14 26544 1 . GLY 15 15 26544 1 . GLN 16 16 26544 1 . GLU 17 17 26544 1 . ALA 18 18 26544 1 . PRO 19 19 26544 1 . ASP 20 20 26544 1 . VAL 21 21 26544 1 . VAL 22 22 26544 1 . ALA 23 23 26544 1 . PHE 24 24 26544 1 . VAL 25 25 26544 1 . ALA 26 26 26544 1 . PRO 27 27 26544 1 . GLY 28 28 26544 1 . GLU 29 29 26544 1 . SER 30 30 26544 1 . GLN 31 31 26544 1 . GLN 32 32 26544 1 . GLU 33 33 26544 1 . GLU 34 34 26544 1 . PRO 35 35 26544 1 . PRO 36 36 26544 1 . THR 37 37 26544 1 . ASP 38 38 26544 1 . ASN 39 39 26544 1 . GLN 40 40 26544 1 . ASP 41 41 26544 1 . ILE 42 42 26544 1 . GLU 43 43 26544 1 . PRO 44 44 26544 1 . GLY 45 45 26544 1 . GLN 46 46 26544 1 . GLU 47 47 26544 1 . ARG 48 48 26544 1 . GLU 49 49 26544 1 . GLY 50 50 26544 1 . THR 51 51 26544 1 . PRO 52 52 26544 1 . PRO 53 53 26544 1 . ILE 54 54 26544 1 . GLU 55 55 26544 1 . GLU 56 56 26544 1 . ARG 57 57 26544 1 . LYS 58 58 26544 1 . VAL 59 59 26544 1 . GLU 60 60 26544 1 . GLY 61 61 26544 1 . ASP 62 62 26544 1 . CYS 63 63 26544 1 . GLN 64 64 26544 1 . GLU 65 65 26544 1 . MET 66 66 26544 1 . ASP 67 67 26544 1 . LEU 68 68 26544 1 . GLU 69 69 26544 1 . LYS 70 70 26544 1 . THR 71 71 26544 1 . ARG 72 72 26544 1 . SER 73 73 26544 1 . GLU 74 74 26544 1 . ARG 75 75 26544 1 . GLY 76 76 26544 1 . ASP 77 77 26544 1 . GLY 78 78 26544 1 . SER 79 79 26544 1 . ASP 80 80 26544 1 . VAL 81 81 26544 1 . LYS 82 82 26544 1 . GLU 83 83 26544 1 . LYS 84 84 26544 1 . THR 85 85 26544 1 . PRO 86 86 26544 1 . PRO 87 87 26544 1 . ASN 88 88 26544 1 . PRO 89 89 26544 1 . LYS 90 90 26544 1 . HIS 91 91 26544 1 . ALA 92 92 26544 1 . LYS 93 93 26544 1 . THR 94 94 26544 1 . LYS 95 95 26544 1 . GLU 96 96 26544 1 . ALA 97 97 26544 1 . GLY 98 98 26544 1 . ASP 99 99 26544 1 . GLY 100 100 26544 1 . GLN 101 101 26544 1 . PRO 102 102 26544 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 26544 _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 plasmid . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26544 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 26544 _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 . 'bacterial over-expression' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 26544 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26544 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 200 . . mM . . . . 26544 1 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 26544 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26544 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26544 1 5 NaN3 'natural abundance' . . . . . . 10 . . mM . . . . 26544 1 6 DTT 'natural abundance' . . . . . . 0.1 . . mM . . . . 26544 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 26544 _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' 100 . mM 26544 1 pH 7 . pH 26544 1 pressure 1 . atm 26544 1 temperature 273 . K 26544 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26544 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26544 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26544 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26544 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26544 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 26544 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 26544 _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 . . . . . . . . . . . . . . . . 26544 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 9 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 11 '3D HNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 12 15NNOE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 1 13 CLEANEX-PM no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26544 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 26544 _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 . . . . . 26544 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26544 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26544 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 26544 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26544 1 2 '3D CBCA(CO)NH' . . . 26544 1 3 '3D HNCACB' . . . 26544 1 6 '3D H(CCO)NH' . . . 26544 1 7 '3D C(CO)NH' . . . 26544 1 11 '3D HNCANNH' . . . 26544 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 SER C C 13 173.935 0 . 1 . . . . 2 SER C . 26544 1 2 . 1 1 2 2 SER CA C 13 58.255 0.007 . 1 . . . . 2 SER CA . 26544 1 3 . 1 1 2 2 SER CB C 13 63.858 0.041 . 1 . . . . 2 SER CB . 26544 1 4 . 1 1 3 3 ALA H H 1 8.528 0.003 . 1 . . . . 3 ALA HN . 26544 1 5 . 1 1 3 3 ALA HA H 1 4.128 0.002 . 1 . . . . 3 ALA HA . 26544 1 6 . 1 1 3 3 ALA HB1 H 1 1.222 0 . 1 . . . . 3 ALA HB . 26544 1 7 . 1 1 3 3 ALA HB2 H 1 1.222 0 . 1 . . . . 3 ALA HB . 26544 1 8 . 1 1 3 3 ALA HB3 H 1 1.222 0 . 1 . . . . 3 ALA HB . 26544 1 9 . 1 1 3 3 ALA C C 13 177.698 0 . 1 . . . . 3 ALA C . 26544 1 10 . 1 1 3 3 ALA CA C 13 52.598 0.033 . 1 . . . . 3 ALA CA . 26544 1 11 . 1 1 3 3 ALA CB C 13 18.987 0.067 . 1 . . . . 3 ALA CB . 26544 1 12 . 1 1 3 3 ALA N N 15 126.509 0.035 . 1 . . . . 3 ALA N . 26544 1 13 . 1 1 4 4 ARG H H 1 8.273 0.006 . 1 . . . . 4 ARG HN . 26544 1 14 . 1 1 4 4 ARG HA H 1 4.104 0.008 . 1 . . . . 4 ARG HA . 26544 1 15 . 1 1 4 4 ARG HB2 H 1 1.583 0 . 1 . . . . 4 ARG HB2 . 26544 1 16 . 1 1 4 4 ARG HB3 H 1 1.583 0 . 1 . . . . 4 ARG HB3 . 26544 1 17 . 1 1 4 4 ARG C C 13 176.46 0 . 1 . . . . 4 ARG C . 26544 1 18 . 1 1 4 4 ARG CA C 13 56.316 0.052 . 1 . . . . 4 ARG CA . 26544 1 19 . 1 1 4 4 ARG CB C 13 30.626 0.08 . 1 . . . . 4 ARG CB . 26544 1 20 . 1 1 4 4 ARG CG C 13 27.366 0 . 1 . . . . 4 ARG CG . 26544 1 21 . 1 1 4 4 ARG CD C 13 43.404 0 . 1 . . . . 4 ARG CD . 26544 1 22 . 1 1 4 4 ARG N N 15 120.734 0.049 . 1 . . . . 4 ARG N . 26544 1 23 . 1 1 5 5 VAL H H 1 8.121 0.006 . 1 . . . . 5 VAL HN . 26544 1 24 . 1 1 5 5 VAL HA H 1 3.875 0.003 . 1 . . . . 5 VAL HA . 26544 1 25 . 1 1 5 5 VAL HB H 1 1.863 0 . 1 . . . . 5 VAL HB . 26544 1 26 . 1 1 5 5 VAL HG11 H 1 0.758 0 . 2 . . . . 5 VAL HG1 . 26544 1 27 . 1 1 5 5 VAL HG12 H 1 0.758 0 . 2 . . . . 5 VAL HG1 . 26544 1 28 . 1 1 5 5 VAL HG13 H 1 0.758 0 . 2 . . . . 5 VAL HG1 . 26544 1 29 . 1 1 5 5 VAL C C 13 176.353 0 . 1 . . . . 5 VAL C . 26544 1 30 . 1 1 5 5 VAL CA C 13 62.319 0.152 . 1 . . . . 5 VAL CA . 26544 1 31 . 1 1 5 5 VAL CB C 13 32.534 0.103 . 1 . . . . 5 VAL CB . 26544 1 32 . 1 1 5 5 VAL CG1 C 13 21.108 0 . 1 . . . . 5 VAL CG1 . 26544 1 33 . 1 1 5 5 VAL N N 15 122.44 0.037 . 1 . . . . 5 VAL N . 26544 1 34 . 1 1 6 6 ARG H H 1 8.431 0.004 . 1 . . . . 6 ARG HN . 26544 1 35 . 1 1 6 6 ARG HA H 1 4.162 0.019 . 1 . . . . 6 ARG HA . 26544 1 36 . 1 1 6 6 ARG HB2 H 1 1.648 0 . 1 . . . . 6 ARG HB2 . 26544 1 37 . 1 1 6 6 ARG HB3 H 1 1.648 0 . 1 . . . . 6 ARG HB3 . 26544 1 38 . 1 1 6 6 ARG C C 13 176.459 0 . 1 . . . . 6 ARG C . 26544 1 39 . 1 1 6 6 ARG CA C 13 56.124 0.061 . 1 . . . . 6 ARG CA . 26544 1 40 . 1 1 6 6 ARG CB C 13 30.626 0.118 . 1 . . . . 6 ARG CB . 26544 1 41 . 1 1 6 6 ARG CG C 13 27.406 0 . 1 . . . . 6 ARG CG . 26544 1 42 . 1 1 6 6 ARG CD C 13 43.209 0 . 1 . . . . 6 ARG CD . 26544 1 43 . 1 1 6 6 ARG N N 15 125.513 0 . 1 . . . . 6 ARG N . 26544 1 44 . 1 1 7 7 SER H H 1 8.416 0.008 . 1 . . . . 7 SER HN . 26544 1 45 . 1 1 7 7 SER HA H 1 4.176 0.063 . 1 . . . . 7 SER HA . 26544 1 46 . 1 1 7 7 SER HB2 H 1 3.673 0 . 1 . . . . 7 SER HB2 . 26544 1 47 . 1 1 7 7 SER HB3 H 1 3.673 0 . 1 . . . . 7 SER HB3 . 26544 1 48 . 1 1 7 7 SER C C 13 174.741 0 . 1 . . . . 7 SER C . 26544 1 49 . 1 1 7 7 SER CA C 13 58.556 0.025 . 1 . . . . 7 SER CA . 26544 1 50 . 1 1 7 7 SER CB C 13 63.616 0 . 1 . . . . 7 SER CB . 26544 1 51 . 1 1 7 7 SER N N 15 117.719 0.027 . 1 . . . . 7 SER N . 26544 1 52 . 1 1 8 8 ARG H H 1 8.451 0.009 . 1 . . . . 8 ARG HN . 26544 1 53 . 1 1 8 8 ARG HA H 1 4.188 0.026 . 1 . . . . 8 ARG HA . 26544 1 54 . 1 1 8 8 ARG HB2 H 1 1.893 0 . 1 . . . . 8 ARG HB2 . 26544 1 55 . 1 1 8 8 ARG HB3 H 1 1.893 0 . 1 . . . . 8 ARG HB3 . 26544 1 56 . 1 1 8 8 ARG C C 13 176.555 0 . 1 . . . . 8 ARG C . 26544 1 57 . 1 1 8 8 ARG CA C 13 56.458 0 . 1 . . . . 8 ARG CA . 26544 1 58 . 1 1 8 8 ARG CB C 13 30.519 0.14 . 1 . . . . 8 ARG CB . 26544 1 59 . 1 1 8 8 ARG CG C 13 27.406 0 . 1 . . . . 8 ARG CG . 26544 1 60 . 1 1 8 8 ARG CD C 13 43.326 0 . 1 . . . . 8 ARG CD . 26544 1 61 . 1 1 8 8 ARG N N 15 123.34 0.038 . 1 . . . . 8 ARG N . 26544 1 62 . 1 1 9 9 SER H H 1 8.34 0.008 . 1 . . . . 9 SER HN . 26544 1 63 . 1 1 9 9 SER HA H 1 4.205 0.034 . 1 . . . . 9 SER HA . 26544 1 64 . 1 1 9 9 SER HB2 H 1 3.663 0 . 1 . . . . 9 SER HB2 . 26544 1 65 . 1 1 9 9 SER HB3 H 1 3.663 0 . 1 . . . . 9 SER HB3 . 26544 1 66 . 1 1 9 9 SER C C 13 174.659 0 . 1 . . . . 9 SER C . 26544 1 67 . 1 1 9 9 SER CA C 13 58.485 0.077 . 1 . . . . 9 SER CA . 26544 1 68 . 1 1 9 9 SER CB C 13 63.653 0.18 . 1 . . . . 9 SER CB . 26544 1 69 . 1 1 9 9 SER N N 15 117.155 0.034 . 1 . . . . 9 SER N . 26544 1 70 . 1 1 10 10 ARG H H 1 8.399 0.004 . 1 . . . . 10 ARG HN . 26544 1 71 . 1 1 10 10 ARG HA H 1 4.183 0.021 . 1 . . . . 10 ARG HA . 26544 1 72 . 1 1 10 10 ARG HB2 H 1 1.697 0 . 1 . . . . 10 ARG HB2 . 26544 1 73 . 1 1 10 10 ARG HB3 H 1 1.697 0 . 1 . . . . 10 ARG HB3 . 26544 1 74 . 1 1 10 10 ARG HG2 H 1 1.521 0 . 1 . . . . 10 ARG HG2 . 26544 1 75 . 1 1 10 10 ARG HG3 H 1 1.521 0 . 1 . . . . 10 ARG HG3 . 26544 1 76 . 1 1 10 10 ARG C C 13 176.892 0 . 1 . . . . 10 ARG C . 26544 1 77 . 1 1 10 10 ARG CA C 13 56.476 0.052 . 1 . . . . 10 ARG CA . 26544 1 78 . 1 1 10 10 ARG CB C 13 30.443 0.124 . 1 . . . . 10 ARG CB . 26544 1 79 . 1 1 10 10 ARG CG C 13 27.249 0 . 1 . . . . 10 ARG CG . 26544 1 80 . 1 1 10 10 ARG CD C 13 43.209 0 . 1 . . . . 10 ARG CD . 26544 1 81 . 1 1 10 10 ARG N N 15 123.156 0.005 . 1 . . . . 10 ARG N . 26544 1 82 . 1 1 11 11 GLY H H 1 8.429 0.007 . 1 . . . . 11 GLY HN . 26544 1 83 . 1 1 11 11 GLY HA2 H 1 3.789 0 . 1 . . . . 11 GLY HA2 . 26544 1 84 . 1 1 11 11 GLY HA3 H 1 3.789 0 . 1 . . . . 11 GLY HA3 . 26544 1 85 . 1 1 11 11 GLY C C 13 174.146 0 . 1 . . . . 11 GLY C . 26544 1 86 . 1 1 11 11 GLY CA C 13 45.162 0.025 . 1 . . . . 11 GLY CA . 26544 1 87 . 1 1 11 11 GLY N N 15 110.012 0.068 . 1 . . . . 11 GLY N . 26544 1 88 . 1 1 12 12 ARG H H 1 8.293 0.004 . 1 . . . . 12 ARG HN . 26544 1 89 . 1 1 12 12 ARG HA H 1 4.155 0.002 . 1 . . . . 12 ARG HA . 26544 1 90 . 1 1 12 12 ARG HB2 H 1 1.687 0 . 1 . . . . 12 ARG HB2 . 26544 1 91 . 1 1 12 12 ARG HB3 H 1 1.687 0 . 1 . . . . 12 ARG HB3 . 26544 1 92 . 1 1 12 12 ARG HG2 H 1 1.521 0 . 1 . . . . 12 ARG HG2 . 26544 1 93 . 1 1 12 12 ARG HG3 H 1 1.521 0 . 1 . . . . 12 ARG HG3 . 26544 1 94 . 1 1 12 12 ARG C C 13 177.179 0 . 1 . . . . 12 ARG C . 26544 1 95 . 1 1 12 12 ARG CA C 13 56.397 0.004 . 1 . . . . 12 ARG CA . 26544 1 96 . 1 1 12 12 ARG CB C 13 30.655 0.042 . 1 . . . . 12 ARG CB . 26544 1 97 . 1 1 12 12 ARG CG C 13 27.327 0 . 1 . . . . 12 ARG CG . 26544 1 98 . 1 1 12 12 ARG CD C 13 43.052 0 . 1 . . . . 12 ARG CD . 26544 1 99 . 1 1 12 12 ARG N N 15 120.684 0.068 . 1 . . . . 12 ARG N . 26544 1 100 . 1 1 13 13 GLY H H 1 8.48 0.013 . 1 . . . . 13 GLY HN . 26544 1 101 . 1 1 13 13 GLY HA2 H 1 3.79 0 . 1 . . . . 13 GLY HA2 . 26544 1 102 . 1 1 13 13 GLY HA3 H 1 3.79 0 . 1 . . . . 13 GLY HA3 . 26544 1 103 . 1 1 13 13 GLY C C 13 174.124 0 . 1 . . . . 13 GLY C . 26544 1 104 . 1 1 13 13 GLY CA C 13 45.245 0.014 . 1 . . . . 13 GLY CA . 26544 1 105 . 1 1 13 13 GLY N N 15 110.008 0.051 . 1 . . . . 13 GLY N . 26544 1 106 . 1 1 14 14 ASP H H 1 8.136 0.008 . 1 . . . . 14 ASP HN . 26544 1 107 . 1 1 14 14 ASP HA H 1 4.457 0.002 . 1 . . . . 14 ASP HA . 26544 1 108 . 1 1 14 14 ASP HB2 H 1 2.528 0 . 1 . . . . 14 ASP HB2 . 26544 1 109 . 1 1 14 14 ASP HB3 H 1 2.528 0 . 1 . . . . 14 ASP HB3 . 26544 1 110 . 1 1 14 14 ASP C C 13 177.044 0 . 1 . . . . 14 ASP C . 26544 1 111 . 1 1 14 14 ASP CA C 13 54.27 0.108 . 1 . . . . 14 ASP CA . 26544 1 112 . 1 1 14 14 ASP CB C 13 41.009 0.04 . 1 . . . . 14 ASP CB . 26544 1 113 . 1 1 14 14 ASP N N 15 120.077 0.03 . 1 . . . . 14 ASP N . 26544 1 114 . 1 1 15 15 GLY H H 1 8.404 0.005 . 1 . . . . 15 GLY HN . 26544 1 115 . 1 1 15 15 GLY HA2 H 1 3.759 0.011 . 1 . . . . 15 GLY HA2 . 26544 1 116 . 1 1 15 15 GLY HA3 H 1 3.759 0.011 . 1 . . . . 15 GLY HA3 . 26544 1 117 . 1 1 15 15 GLY C C 13 174.385 0 . 1 . . . . 15 GLY C . 26544 1 118 . 1 1 15 15 GLY CA C 13 45.32 0.011 . 1 . . . . 15 GLY CA . 26544 1 119 . 1 1 15 15 GLY N N 15 109.393 0.046 . 1 . . . . 15 GLY N . 26544 1 120 . 1 1 16 16 GLN H H 1 8.095 0.004 . 1 . . . . 16 GLN HN . 26544 1 121 . 1 1 16 16 GLN HA H 1 4.162 0.01 . 1 . . . . 16 GLN HA . 26544 1 122 . 1 1 16 16 GLN HB2 H 1 1.903 0 . 1 . . . . 16 GLN HB2 . 26544 1 123 . 1 1 16 16 GLN HB3 H 1 1.903 0 . 1 . . . . 16 GLN HB3 . 26544 1 124 . 1 1 16 16 GLN C C 13 175.982 0 . 1 . . . . 16 GLN C . 26544 1 125 . 1 1 16 16 GLN CA C 13 55.873 0.207 . 1 . . . . 16 GLN CA . 26544 1 126 . 1 1 16 16 GLN CB C 13 29.433 0.03 . 1 . . . . 16 GLN CB . 26544 1 127 . 1 1 16 16 GLN CG C 13 33.899 0 . 1 . . . . 16 GLN CG . 26544 1 128 . 1 1 16 16 GLN N N 15 119.466 0.12 . 1 . . . . 16 GLN N . 26544 1 129 . 1 1 17 17 GLU H H 1 8.443 0.009 . 1 . . . . 17 GLU HN . 26544 1 130 . 1 1 17 17 GLU HA H 1 4.082 0.007 . 1 . . . . 17 GLU HA . 26544 1 131 . 1 1 17 17 GLU HB2 H 1 1.785 0 . 1 . . . . 17 GLU HB2 . 26544 1 132 . 1 1 17 17 GLU HB3 H 1 1.785 0 . 1 . . . . 17 GLU HB3 . 26544 1 133 . 1 1 17 17 GLU C C 13 175.87 0 . 1 . . . . 17 GLU C . 26544 1 134 . 1 1 17 17 GLU CA C 13 56.289 0.104 . 1 . . . . 17 GLU CA . 26544 1 135 . 1 1 17 17 GLU CB C 13 30.105 0.065 . 1 . . . . 17 GLU CB . 26544 1 136 . 1 1 17 17 GLU CG C 13 36.559 0 . 1 . . . . 17 GLU CG . 26544 1 137 . 1 1 17 17 GLU N N 15 122.243 0.147 . 1 . . . . 17 GLU N . 26544 1 138 . 1 1 18 18 ALA H H 1 8.331 0.005 . 1 . . . . 18 ALA HN . 26544 1 139 . 1 1 18 18 ALA HA H 1 4.417 0 . 1 . . . . 18 ALA HA . 26544 1 140 . 1 1 18 18 ALA CA C 13 50.441 0 . 1 . . . . 18 ALA CA . 26544 1 141 . 1 1 18 18 ALA CB C 13 18.136 0 . 1 . . . . 18 ALA CB . 26544 1 142 . 1 1 18 18 ALA N N 15 126.378 0.069 . 1 . . . . 18 ALA N . 26544 1 143 . 1 1 19 19 PRO HA H 1 4.21 0 . 1 . . . . 19 PRO HA . 26544 1 144 . 1 1 19 19 PRO HB2 H 1 2.059 0 . 1 . . . . 19 PRO HB2 . 26544 1 145 . 1 1 19 19 PRO HB3 H 1 2.059 0 . 1 . . . . 19 PRO HB3 . 26544 1 146 . 1 1 19 19 PRO HG2 H 1 1.727 0 . 1 . . . . 19 PRO HG2 . 26544 1 147 . 1 1 19 19 PRO HG3 H 1 1.727 0 . 1 . . . . 19 PRO HG3 . 26544 1 148 . 1 1 19 19 PRO HD2 H 1 3.761 0 . 1 . . . . 19 PRO HD2 . 26544 1 149 . 1 1 19 19 PRO HD3 H 1 3.761 0 . 1 . . . . 19 PRO HD3 . 26544 1 150 . 1 1 19 19 PRO C C 13 176.582 0 . 1 . . . . 19 PRO C . 26544 1 151 . 1 1 19 19 PRO CA C 13 62.852 0.105 . 1 . . . . 19 PRO CA . 26544 1 152 . 1 1 19 19 PRO CB C 13 31.887 0.022 . 1 . . . . 19 PRO CB . 26544 1 153 . 1 1 19 19 PRO CG C 13 27.288 0 . 1 . . . . 19 PRO CG . 26544 1 154 . 1 1 19 19 PRO CD C 13 50.484 0 . 1 . . . . 19 PRO CD . 26544 1 155 . 1 1 20 20 ASP H H 1 8.31 0.002 . 1 . . . . 20 ASP HN . 26544 1 156 . 1 1 20 20 ASP HA H 1 4.348 0 . 1 . . . . 20 ASP HA . 26544 1 157 . 1 1 20 20 ASP HB2 H 1 2.411 0 . 1 . . . . 20 ASP HB2 . 26544 1 158 . 1 1 20 20 ASP HB3 H 1 2.411 0 . 1 . . . . 20 ASP HB3 . 26544 1 159 . 1 1 20 20 ASP C C 13 176.127 0 . 1 . . . . 20 ASP C . 26544 1 160 . 1 1 20 20 ASP CA C 13 54.562 0.369 . 1 . . . . 20 ASP CA . 26544 1 161 . 1 1 20 20 ASP CB C 13 40.734 0.065 . 1 . . . . 20 ASP CB . 26544 1 162 . 1 1 20 20 ASP N N 15 120.07 0.084 . 1 . . . . 20 ASP N . 26544 1 163 . 1 1 21 21 VAL H H 1 7.933 0.009 . 1 . . . . 21 VAL HN . 26544 1 164 . 1 1 21 21 VAL HA H 1 3.914 0.002 . 1 . . . . 21 VAL HA . 26544 1 165 . 1 1 21 21 VAL HB H 1 1.863 0 . 1 . . . . 21 VAL HB . 26544 1 166 . 1 1 21 21 VAL HG11 H 1 0.749 0 . 2 . . . . 21 VAL HG1 . 26544 1 167 . 1 1 21 21 VAL HG12 H 1 0.749 0 . 2 . . . . 21 VAL HG1 . 26544 1 168 . 1 1 21 21 VAL HG13 H 1 0.749 0 . 2 . . . . 21 VAL HG1 . 26544 1 169 . 1 1 21 21 VAL C C 13 176.064 0 . 1 . . . . 21 VAL C . 26544 1 170 . 1 1 21 21 VAL CA C 13 62.269 0.012 . 1 . . . . 21 VAL CA . 26544 1 171 . 1 1 21 21 VAL CB C 13 32.666 0.062 . 1 . . . . 21 VAL CB . 26544 1 172 . 1 1 21 21 VAL CG1 C 13 21.069 0 . 1 . . . . 21 VAL CG1 . 26544 1 173 . 1 1 21 21 VAL N N 15 120.522 0.042 . 1 . . . . 21 VAL N . 26544 1 174 . 1 1 22 22 VAL H H 1 8.117 0.002 . 1 . . . . 22 VAL HN . 26544 1 175 . 1 1 22 22 VAL HA H 1 3.876 0.008 . 1 . . . . 22 VAL HA . 26544 1 176 . 1 1 22 22 VAL HB H 1 1.834 0 . 1 . . . . 22 VAL HB . 26544 1 177 . 1 1 22 22 VAL HG11 H 1 0.71 0 . 2 . . . . 22 VAL HG1 . 26544 1 178 . 1 1 22 22 VAL HG12 H 1 0.71 0 . 2 . . . . 22 VAL HG1 . 26544 1 179 . 1 1 22 22 VAL HG13 H 1 0.71 0 . 2 . . . . 22 VAL HG1 . 26544 1 180 . 1 1 22 22 VAL C C 13 175.619 0 . 1 . . . . 22 VAL C . 26544 1 181 . 1 1 22 22 VAL CA C 13 62.164 0.044 . 1 . . . . 22 VAL CA . 26544 1 182 . 1 1 22 22 VAL CB C 13 32.545 0.111 . 1 . . . . 22 VAL CB . 26544 1 183 . 1 1 22 22 VAL CG1 C 13 21.069 0 . 1 . . . . 22 VAL CG1 . 26544 1 184 . 1 1 22 22 VAL N N 15 124.776 0.034 . 1 . . . . 22 VAL N . 26544 1 185 . 1 1 23 23 ALA H H 1 8.227 0.002 . 1 . . . . 23 ALA HN . 26544 1 186 . 1 1 23 23 ALA HA H 1 4.098 0.005 . 1 . . . . 23 ALA HA . 26544 1 187 . 1 1 23 23 ALA HB1 H 1 1.15 0 . 1 . . . . 23 ALA HB . 26544 1 188 . 1 1 23 23 ALA HB2 H 1 1.15 0 . 1 . . . . 23 ALA HB . 26544 1 189 . 1 1 23 23 ALA HB3 H 1 1.15 0 . 1 . . . . 23 ALA HB . 26544 1 190 . 1 1 23 23 ALA C C 13 176.975 0 . 1 . . . . 23 ALA C . 26544 1 191 . 1 1 23 23 ALA CA C 13 52.134 0.069 . 1 . . . . 23 ALA CA . 26544 1 192 . 1 1 23 23 ALA CB C 13 19.172 0.032 . 1 . . . . 23 ALA CB . 26544 1 193 . 1 1 23 23 ALA N N 15 128.151 0.037 . 1 . . . . 23 ALA N . 26544 1 194 . 1 1 24 24 PHE H H 1 8.147 0.003 . 1 . . . . 24 PHE HN . 26544 1 195 . 1 1 24 24 PHE HA H 1 4.362 0.005 . 1 . . . . 24 PHE HA . 26544 1 196 . 1 1 24 24 PHE HB2 H 1 2.851 0 . 1 . . . . 24 PHE HB2 . 26544 1 197 . 1 1 24 24 PHE HB3 H 1 2.851 0 . 1 . . . . 24 PHE HB3 . 26544 1 198 . 1 1 24 24 PHE C C 13 175.023 0 . 1 . . . . 24 PHE C . 26544 1 199 . 1 1 24 24 PHE CA C 13 57.841 0.053 . 1 . . . . 24 PHE CA . 26544 1 200 . 1 1 24 24 PHE CB C 13 39.738 0.074 . 1 . . . . 24 PHE CB . 26544 1 201 . 1 1 24 24 PHE N N 15 120.821 0.028 . 1 . . . . 24 PHE N . 26544 1 202 . 1 1 25 25 VAL H H 1 7.805 0.005 . 1 . . . . 25 VAL HN . 26544 1 203 . 1 1 25 25 VAL HA H 1 3.782 0.007 . 1 . . . . 25 VAL HA . 26544 1 204 . 1 1 25 25 VAL HB H 1 1.666 0 . 1 . . . . 25 VAL HB . 26544 1 205 . 1 1 25 25 VAL HG11 H 1 0.622 0 . 2 . . . . 25 VAL HG1 . 26544 1 206 . 1 1 25 25 VAL HG12 H 1 0.622 0 . 2 . . . . 25 VAL HG1 . 26544 1 207 . 1 1 25 25 VAL HG13 H 1 0.622 0 . 2 . . . . 25 VAL HG1 . 26544 1 208 . 1 1 25 25 VAL C C 13 174.55 0 . 1 . . . . 25 VAL C . 26544 1 209 . 1 1 25 25 VAL CA C 13 61.303 0.07 . 1 . . . . 25 VAL CA . 26544 1 210 . 1 1 25 25 VAL CB C 13 33.062 0.064 . 1 . . . . 25 VAL CB . 26544 1 211 . 1 1 25 25 VAL CG1 C 13 20.912 0 . 1 . . . . 25 VAL CG1 . 26544 1 212 . 1 1 25 25 VAL N N 15 125.282 0.038 . 1 . . . . 25 VAL N . 26544 1 213 . 1 1 26 26 ALA H H 1 8.306 0.002 . 1 . . . . 26 ALA HN . 26544 1 214 . 1 1 26 26 ALA HA H 1 4.21 0 . 1 . . . . 26 ALA HA . 26544 1 215 . 1 1 26 26 ALA CA C 13 50.367 0 . 1 . . . . 26 ALA CA . 26544 1 216 . 1 1 26 26 ALA CB C 13 17.704 0 . 1 . . . . 26 ALA CB . 26544 1 217 . 1 1 26 26 ALA N N 15 130.16 0.042 . 1 . . . . 26 ALA N . 26544 1 218 . 1 1 27 27 PRO HA H 1 4.181 0 . 1 . . . . 27 PRO HA . 26544 1 219 . 1 1 27 27 PRO HB2 H 1 2.157 0 . 1 . . . . 27 PRO HB2 . 26544 1 220 . 1 1 27 27 PRO HB3 H 1 2.157 0 . 1 . . . . 27 PRO HB3 . 26544 1 221 . 1 1 27 27 PRO HG2 H 1 1.775 0 . 1 . . . . 27 PRO HG2 . 26544 1 222 . 1 1 27 27 PRO HG3 H 1 1.775 0 . 1 . . . . 27 PRO HG3 . 26544 1 223 . 1 1 27 27 PRO C C 13 177.669 0 . 1 . . . . 27 PRO C . 26544 1 224 . 1 1 27 27 PRO CA C 13 63.332 0.02 . 1 . . . . 27 PRO CA . 26544 1 225 . 1 1 27 27 PRO CB C 13 31.863 0.005 . 1 . . . . 27 PRO CB . 26544 1 226 . 1 1 27 27 PRO CG C 13 27.523 0 . 1 . . . . 27 PRO CG . 26544 1 227 . 1 1 27 27 PRO CD C 13 50.68 0 . 1 . . . . 27 PRO CD . 26544 1 228 . 1 1 28 28 GLY H H 1 8.384 0.004 . 1 . . . . 28 GLY HN . 26544 1 229 . 1 1 28 28 GLY HA2 H 1 3.759 0.011 . 1 . . . . 28 GLY HA2 . 26544 1 230 . 1 1 28 28 GLY HA3 H 1 3.759 0.011 . 1 . . . . 28 GLY HA3 . 26544 1 231 . 1 1 28 28 GLY C C 13 174.262 0 . 1 . . . . 28 GLY C . 26544 1 232 . 1 1 28 28 GLY CA C 13 45.313 0.062 . 1 . . . . 28 GLY CA . 26544 1 233 . 1 1 28 28 GLY N N 15 109.445 0.057 . 1 . . . . 28 GLY N . 26544 1 234 . 1 1 29 29 GLU H H 1 8.098 0.011 . 1 . . . . 29 GLU HN . 26544 1 235 . 1 1 29 29 GLU HA H 1 4.153 0.009 . 1 . . . . 29 GLU HA . 26544 1 236 . 1 1 29 29 GLU HB2 H 1 1.756 0 . 1 . . . . 29 GLU HB2 . 26544 1 237 . 1 1 29 29 GLU HB3 H 1 1.756 0 . 1 . . . . 29 GLU HB3 . 26544 1 238 . 1 1 29 29 GLU HG2 H 1 2.01 0 . 1 . . . . 29 GLU HG2 . 26544 1 239 . 1 1 29 29 GLU HG3 H 1 2.01 0 . 1 . . . . 29 GLU HG3 . 26544 1 240 . 1 1 29 29 GLU C C 13 176.678 0 . 1 . . . . 29 GLU C . 26544 1 241 . 1 1 29 29 GLU CA C 13 56.469 0.069 . 1 . . . . 29 GLU CA . 26544 1 242 . 1 1 29 29 GLU CB C 13 30.195 0.026 . 1 . . . . 29 GLU CB . 26544 1 243 . 1 1 29 29 GLU CG C 13 36.676 0 . 1 . . . . 29 GLU CG . 26544 1 244 . 1 1 29 29 GLU N N 15 120.379 0.002 . 1 . . . . 29 GLU N . 26544 1 245 . 1 1 30 30 SER H H 1 8.321 0.007 . 1 . . . . 30 SER HN . 26544 1 246 . 1 1 30 30 SER HA H 1 4.196 0.043 . 1 . . . . 30 SER HA . 26544 1 247 . 1 1 30 30 SER HB2 H 1 3.643 0 . 1 . . . . 30 SER HB2 . 26544 1 248 . 1 1 30 30 SER HB3 H 1 3.643 0 . 1 . . . . 30 SER HB3 . 26544 1 249 . 1 1 30 30 SER CA C 13 58.623 0.039 . 1 . . . . 30 SER CA . 26544 1 250 . 1 1 30 30 SER CB C 13 63.756 0.016 . 1 . . . . 30 SER CB . 26544 1 251 . 1 1 30 30 SER N N 15 116.775 0.019 . 1 . . . . 30 SER N . 26544 1 252 . 1 1 31 31 GLN H H 1 8.399 0.004 . 1 . . . . 31 GLN HN . 26544 1 253 . 1 1 31 31 GLN HA H 1 4.158 0.006 . 1 . . . . 31 GLN HA . 26544 1 254 . 1 1 31 31 GLN HB2 H 1 1.854 0 . 1 . . . . 31 GLN HB2 . 26544 1 255 . 1 1 31 31 GLN HB3 H 1 1.854 0 . 1 . . . . 31 GLN HB3 . 26544 1 256 . 1 1 31 31 GLN HG2 H 1 2.137 0 . 1 . . . . 31 GLN HG2 . 26544 1 257 . 1 1 31 31 GLN HG3 H 1 2.137 0 . 1 . . . . 31 GLN HG3 . 26544 1 258 . 1 1 31 31 GLN C C 13 175.745 0 . 1 . . . . 31 GLN C . 26544 1 259 . 1 1 31 31 GLN CA C 13 56.111 0.206 . 1 . . . . 31 GLN CA . 26544 1 260 . 1 1 31 31 GLN CB C 13 30.048 0 . 1 . . . . 31 GLN CB . 26544 1 261 . 1 1 31 31 GLN CG C 13 33.782 0 . 1 . . . . 31 GLN CG . 26544 1 262 . 1 1 31 31 GLN N N 15 122.372 0 . 1 . . . . 31 GLN N . 26544 1 263 . 1 1 32 32 GLN H H 1 8.343 0.01 . 1 . . . . 32 GLN HN . 26544 1 264 . 1 1 32 32 GLN HA H 1 4.143 0.001 . 1 . . . . 32 GLN HA . 26544 1 265 . 1 1 32 32 GLN HB2 H 1 1.854 0 . 1 . . . . 32 GLN HB2 . 26544 1 266 . 1 1 32 32 GLN HB3 H 1 1.854 0 . 1 . . . . 32 GLN HB3 . 26544 1 267 . 1 1 32 32 GLN C C 13 175.737 0 . 1 . . . . 32 GLN C . 26544 1 268 . 1 1 32 32 GLN CA C 13 55.728 0.05 . 1 . . . . 32 GLN CA . 26544 1 269 . 1 1 32 32 GLN CB C 13 29.489 0.164 . 1 . . . . 32 GLN CB . 26544 1 270 . 1 1 32 32 GLN CG C 13 33.938 0 . 1 . . . . 32 GLN CG . 26544 1 271 . 1 1 32 32 GLN N N 15 121.895 0.018 . 1 . . . . 32 GLN N . 26544 1 272 . 1 1 33 33 GLU H H 1 8.409 0.006 . 1 . . . . 33 GLU HN . 26544 1 273 . 1 1 33 33 GLU HA H 1 4.115 0.006 . 1 . . . . 33 GLU HA . 26544 1 274 . 1 1 33 33 GLU HB2 H 1 1.736 0 . 1 . . . . 33 GLU HB2 . 26544 1 275 . 1 1 33 33 GLU HB3 H 1 1.736 0 . 1 . . . . 33 GLU HB3 . 26544 1 276 . 1 1 33 33 GLU C C 13 176.225 0 . 1 . . . . 33 GLU C . 26544 1 277 . 1 1 33 33 GLU CA C 13 56.22 0.026 . 1 . . . . 33 GLU CA . 26544 1 278 . 1 1 33 33 GLU CB C 13 30.417 0.256 . 1 . . . . 33 GLU CB . 26544 1 279 . 1 1 33 33 GLU CG C 13 36.402 0 . 1 . . . . 33 GLU CG . 26544 1 280 . 1 1 33 33 GLU N N 15 122.825 0.046 . 1 . . . . 33 GLU N . 26544 1 281 . 1 1 34 34 GLU H H 1 8.434 0.007 . 1 . . . . 34 GLU HN . 26544 1 282 . 1 1 34 34 GLU HA H 1 4.403 0 . 1 . . . . 34 GLU HA . 26544 1 283 . 1 1 34 34 GLU CA C 13 54.074 0 . 1 . . . . 34 GLU CA . 26544 1 284 . 1 1 34 34 GLU CB C 13 29.857 0 . 1 . . . . 34 GLU CB . 26544 1 285 . 1 1 34 34 GLU N N 15 123.987 0.047 . 1 . . . . 34 GLU N . 26544 1 286 . 1 1 36 36 PRO HA H 1 4.338 0 . 1 . . . . 36 PRO HA . 26544 1 287 . 1 1 36 36 PRO HB2 H 1 2.127 0 . 1 . . . . 36 PRO HB2 . 26544 1 288 . 1 1 36 36 PRO HB3 H 1 2.127 0 . 1 . . . . 36 PRO HB3 . 26544 1 289 . 1 1 36 36 PRO HG2 H 1 1.824 0 . 1 . . . . 36 PRO HG2 . 26544 1 290 . 1 1 36 36 PRO HG3 H 1 1.824 0 . 1 . . . . 36 PRO HG3 . 26544 1 291 . 1 1 36 36 PRO C C 13 177.177 0 . 1 . . . . 36 PRO C . 26544 1 292 . 1 1 36 36 PRO CA C 13 62.824 0.069 . 1 . . . . 36 PRO CA . 26544 1 293 . 1 1 36 36 PRO CB C 13 31.996 0.057 . 1 . . . . 36 PRO CB . 26544 1 294 . 1 1 36 36 PRO CG C 13 27.21 0 . 1 . . . . 36 PRO CG . 26544 1 295 . 1 1 36 36 PRO CD C 13 50.25 0 . 1 . . . . 36 PRO CD . 26544 1 296 . 1 1 37 37 THR H H 1 8.244 0.002 . 1 . . . . 37 THR HN . 26544 1 297 . 1 1 37 37 THR HA H 1 4.155 0.002 . 1 . . . . 37 THR HA . 26544 1 298 . 1 1 37 37 THR HB H 1 3.692 0 . 1 . . . . 37 THR HB . 26544 1 299 . 1 1 37 37 THR HG21 H 1 1.032 0 . 1 . . . . 37 THR HG# . 26544 1 300 . 1 1 37 37 THR HG22 H 1 1.032 0 . 1 . . . . 37 THR HG# . 26544 1 301 . 1 1 37 37 THR HG23 H 1 1.032 0 . 1 . . . . 37 THR HG# . 26544 1 302 . 1 1 37 37 THR C C 13 174.332 0 . 1 . . . . 37 THR C . 26544 1 303 . 1 1 37 37 THR CA C 13 61.652 0.377 . 1 . . . . 37 THR CA . 26544 1 304 . 1 1 37 37 THR CB C 13 69.924 0.038 . 1 . . . . 37 THR CB . 26544 1 305 . 1 1 37 37 THR N N 15 114.456 0.04 . 1 . . . . 37 THR N . 26544 1 306 . 1 1 38 38 ASP H H 1 8.285 0.005 . 1 . . . . 38 ASP HN . 26544 1 307 . 1 1 38 38 ASP HA H 1 4.428 0.002 . 1 . . . . 38 ASP HA . 26544 1 308 . 1 1 38 38 ASP HB2 H 1 2.46 0 . 1 . . . . 38 ASP HB2 . 26544 1 309 . 1 1 38 38 ASP HB3 H 1 2.46 0 . 1 . . . . 38 ASP HB3 . 26544 1 310 . 1 1 38 38 ASP C C 13 175.861 0 . 1 . . . . 38 ASP C . 26544 1 311 . 1 1 38 38 ASP CA C 13 54.12 0.025 . 1 . . . . 38 ASP CA . 26544 1 312 . 1 1 38 38 ASP CB C 13 41.066 0.015 . 1 . . . . 38 ASP CB . 26544 1 313 . 1 1 38 38 ASP N N 15 122.613 0.04 . 1 . . . . 38 ASP N . 26544 1 314 . 1 1 39 39 ASN H H 1 8.336 0.003 . 1 . . . . 39 ASN HN . 26544 1 315 . 1 1 39 39 ASN HA H 1 4.485 0 . 1 . . . . 39 ASN HA . 26544 1 316 . 1 1 39 39 ASN HB2 H 1 2.636 0 . 1 . . . . 39 ASN HB2 . 26544 1 317 . 1 1 39 39 ASN HB3 H 1 2.636 0 . 1 . . . . 39 ASN HB3 . 26544 1 318 . 1 1 39 39 ASN C C 13 175.267 0 . 1 . . . . 39 ASN C . 26544 1 319 . 1 1 39 39 ASN CA C 13 53.244 0.373 . 1 . . . . 39 ASN CA . 26544 1 320 . 1 1 39 39 ASN CB C 13 38.737 0.013 . 1 . . . . 39 ASN CB . 26544 1 321 . 1 1 39 39 ASN N N 15 119.421 0.055 . 1 . . . . 39 ASN N . 26544 1 322 . 1 1 40 40 GLN H H 1 8.343 0.007 . 1 . . . . 40 GLN HN . 26544 1 323 . 1 1 40 40 GLN HA H 1 4.119 0.003 . 1 . . . . 40 GLN HA . 26544 1 324 . 1 1 40 40 GLN HB2 H 1 1.883 0 . 1 . . . . 40 GLN HB2 . 26544 1 325 . 1 1 40 40 GLN HB3 H 1 1.883 0 . 1 . . . . 40 GLN HB3 . 26544 1 326 . 1 1 40 40 GLN C C 13 175.668 0 . 1 . . . . 40 GLN C . 26544 1 327 . 1 1 40 40 GLN CA C 13 55.978 0.024 . 1 . . . . 40 GLN CA . 26544 1 328 . 1 1 40 40 GLN CB C 13 29.377 0.024 . 1 . . . . 40 GLN CB . 26544 1 329 . 1 1 40 40 GLN CG C 13 34.055 0 . 1 . . . . 40 GLN CG . 26544 1 330 . 1 1 40 40 GLN N N 15 120.598 0.096 . 1 . . . . 40 GLN N . 26544 1 331 . 1 1 41 41 ASP H H 1 8.306 0.007 . 1 . . . . 41 ASP HN . 26544 1 332 . 1 1 41 41 ASP HA H 1 4.39 0.004 . 1 . . . . 41 ASP HA . 26544 1 333 . 1 1 41 41 ASP HB2 H 1 2.45 0 . 1 . . . . 41 ASP HB2 . 26544 1 334 . 1 1 41 41 ASP HB3 H 1 2.45 0 . 1 . . . . 41 ASP HB3 . 26544 1 335 . 1 1 41 41 ASP C C 13 175.827 0 . 1 . . . . 41 ASP C . 26544 1 336 . 1 1 41 41 ASP CA C 13 54.691 0.458 . 1 . . . . 41 ASP CA . 26544 1 337 . 1 1 41 41 ASP CB C 13 40.79 0.056 . 1 . . . . 41 ASP CB . 26544 1 338 . 1 1 41 41 ASP N N 15 121.49 0.035 . 1 . . . . 41 ASP N . 26544 1 339 . 1 1 42 42 ILE H H 1 7.894 0.007 . 1 . . . . 42 ILE HN . 26544 1 340 . 1 1 42 42 ILE HA H 1 3.953 0.014 . 1 . . . . 42 ILE HA . 26544 1 341 . 1 1 42 42 ILE HB H 1 1.648 0 . 1 . . . . 42 ILE HB . 26544 1 342 . 1 1 42 42 ILE HG21 H 1 0.651 0 . 1 . . . . 42 ILE HG2 . 26544 1 343 . 1 1 42 42 ILE HG22 H 1 0.651 0 . 1 . . . . 42 ILE HG2 . 26544 1 344 . 1 1 42 42 ILE HG23 H 1 0.651 0 . 1 . . . . 42 ILE HG2 . 26544 1 345 . 1 1 42 42 ILE C C 13 176.065 0 . 1 . . . . 42 ILE C . 26544 1 346 . 1 1 42 42 ILE CA C 13 60.605 0.039 . 1 . . . . 42 ILE CA . 26544 1 347 . 1 1 42 42 ILE CB C 13 38.838 0.019 . 1 . . . . 42 ILE CB . 26544 1 348 . 1 1 42 42 ILE CG1 C 13 27.249 0 . 1 . . . . 42 ILE CG1 . 26544 1 349 . 1 1 42 42 ILE CG2 C 13 17.666 0 . 1 . . . . 42 ILE CG2 . 26544 1 350 . 1 1 42 42 ILE CD1 C 13 12.972 0 . 1 . . . . 42 ILE CD1 . 26544 1 351 . 1 1 42 42 ILE N N 15 120.415 0.032 . 1 . . . . 42 ILE N . 26544 1 352 . 1 1 43 43 GLU H H 1 8.389 0.003 . 1 . . . . 43 GLU HN . 26544 1 353 . 1 1 43 43 GLU HA H 1 4.376 0 . 1 . . . . 43 GLU HA . 26544 1 354 . 1 1 43 43 GLU CA C 13 54.247 0 . 1 . . . . 43 GLU CA . 26544 1 355 . 1 1 43 43 GLU CB C 13 29.594 0 . 1 . . . . 43 GLU CB . 26544 1 356 . 1 1 43 43 GLU N N 15 127.153 0.035 . 1 . . . . 43 GLU N . 26544 1 357 . 1 1 44 44 PRO HA H 1 4.23 0 . 1 . . . . 44 PRO HA . 26544 1 358 . 1 1 44 44 PRO HB2 H 1 2.137 0 . 1 . . . . 44 PRO HB2 . 26544 1 359 . 1 1 44 44 PRO HB3 H 1 2.137 0 . 1 . . . . 44 PRO HB3 . 26544 1 360 . 1 1 44 44 PRO HG2 H 1 2.748 0.193 . 1 . . . . 44 PRO HG2 . 26544 1 361 . 1 1 44 44 PRO HG3 H 1 2.748 0.193 . 1 . . . . 44 PRO HG3 . 26544 1 362 . 1 1 44 44 PRO C C 13 177.739 0 . 1 . . . . 44 PRO C . 26544 1 363 . 1 1 44 44 PRO CA C 13 63.494 0.022 . 1 . . . . 44 PRO CA . 26544 1 364 . 1 1 44 44 PRO CB C 13 31.872 0.049 . 1 . . . . 44 PRO CB . 26544 1 365 . 1 1 44 44 PRO CG C 13 27.719 0 . 1 . . . . 44 PRO CG . 26544 1 366 . 1 1 44 44 PRO CD C 13 50.836 0 . 1 . . . . 44 PRO CD . 26544 1 367 . 1 1 45 45 GLY H H 1 8.565 0.01 . 1 . . . . 45 GLY HN . 26544 1 368 . 1 1 45 45 GLY HA2 H 1 3.784 0.005 . 1 . . . . 45 GLY HA2 . 26544 1 369 . 1 1 45 45 GLY HA3 H 1 3.784 0.005 . 1 . . . . 45 GLY HA3 . 26544 1 370 . 1 1 45 45 GLY C C 13 174.373 0 . 1 . . . . 45 GLY C . 26544 1 371 . 1 1 45 45 GLY CA C 13 45.322 0.024 . 1 . . . . 45 GLY CA . 26544 1 372 . 1 1 45 45 GLY N N 15 109.979 0.023 . 1 . . . . 45 GLY N . 26544 1 373 . 1 1 46 46 GLN H H 1 8.094 0.015 . 1 . . . . 46 GLN HN . 26544 1 374 . 1 1 46 46 GLN HA H 1 4.149 0.008 . 1 . . . . 46 GLN HA . 26544 1 375 . 1 1 46 46 GLN HB2 H 1 1.844 0 . 1 . . . . 46 GLN HB2 . 26544 1 376 . 1 1 46 46 GLN HB3 H 1 1.844 0 . 1 . . . . 46 GLN HB3 . 26544 1 377 . 1 1 46 46 GLN HG2 H 1 2.186 0 . 1 . . . . 46 GLN HG2 . 26544 1 378 . 1 1 46 46 GLN HG3 H 1 2.186 0 . 1 . . . . 46 GLN HG3 . 26544 1 379 . 1 1 46 46 GLN C C 13 176.105 0 . 1 . . . . 46 GLN C . 26544 1 380 . 1 1 46 46 GLN CA C 13 55.543 0.104 . 1 . . . . 46 GLN CA . 26544 1 381 . 1 1 46 46 GLN CB C 13 29.53 0.173 . 1 . . . . 46 GLN CB . 26544 1 382 . 1 1 46 46 GLN CG C 13 33.977 0 . 1 . . . . 46 GLN CG . 26544 1 383 . 1 1 46 46 GLN N N 15 119.68 0.438 . 1 . . . . 46 GLN N . 26544 1 384 . 1 1 47 47 GLU H H 1 8.576 0.001 . 1 . . . . 47 GLU HN . 26544 1 385 . 1 1 47 47 GLU HA H 1 4.106 0.016 . 1 . . . . 47 GLU HA . 26544 1 386 . 1 1 47 47 GLU HB2 H 1 1.824 0 . 1 . . . . 47 GLU HB2 . 26544 1 387 . 1 1 47 47 GLU HB3 H 1 1.824 0 . 1 . . . . 47 GLU HB3 . 26544 1 388 . 1 1 47 47 GLU HG2 H 1 2.127 0 . 1 . . . . 47 GLU HG2 . 26544 1 389 . 1 1 47 47 GLU HG3 H 1 2.127 0 . 1 . . . . 47 GLU HG3 . 26544 1 390 . 1 1 47 47 GLU C C 13 176.515 0 . 1 . . . . 47 GLU C . 26544 1 391 . 1 1 47 47 GLU CA C 13 56.439 0.283 . 1 . . . . 47 GLU CA . 26544 1 392 . 1 1 47 47 GLU CB C 13 29.555 0.108 . 1 . . . . 47 GLU CB . 26544 1 393 . 1 1 47 47 GLU CG C 13 36.285 0 . 1 . . . . 47 GLU CG . 26544 1 394 . 1 1 47 47 GLU N N 15 122.306 0.04 . 1 . . . . 47 GLU N . 26544 1 395 . 1 1 48 48 ARG H H 1 8.344 0.009 . 1 . . . . 48 ARG HN . 26544 1 396 . 1 1 48 48 ARG HA H 1 4.169 0.012 . 1 . . . . 48 ARG HA . 26544 1 397 . 1 1 48 48 ARG HB2 H 1 1.58 0 . 1 . . . . 48 ARG HB2 . 26544 1 398 . 1 1 48 48 ARG HB3 H 1 1.58 0 . 1 . . . . 48 ARG HB3 . 26544 1 399 . 1 1 48 48 ARG C C 13 176.554 0 . 1 . . . . 48 ARG C . 26544 1 400 . 1 1 48 48 ARG CA C 13 56.293 0.311 . 1 . . . . 48 ARG CA . 26544 1 401 . 1 1 48 48 ARG CB C 13 30.517 0.202 . 1 . . . . 48 ARG CB . 26544 1 402 . 1 1 48 48 ARG CG C 13 27.014 0 . 1 . . . . 48 ARG CG . 26544 1 403 . 1 1 48 48 ARG CD C 13 42.974 0 . 1 . . . . 48 ARG CD . 26544 1 404 . 1 1 48 48 ARG N N 15 122.236 0.102 . 1 . . . . 48 ARG N . 26544 1 405 . 1 1 49 49 GLU H H 1 8.438 0.011 . 1 . . . . 49 GLU HN . 26544 1 406 . 1 1 49 49 GLU HA H 1 4.088 0.005 . 1 . . . . 49 GLU HA . 26544 1 407 . 1 1 49 49 GLU HB2 H 1 1.805 0 . 1 . . . . 49 GLU HB2 . 26544 1 408 . 1 1 49 49 GLU HB3 H 1 1.805 0 . 1 . . . . 49 GLU HB3 . 26544 1 409 . 1 1 49 49 GLU C C 13 176.978 0 . 1 . . . . 49 GLU C . 26544 1 410 . 1 1 49 49 GLU CA C 13 56.513 0.078 . 1 . . . . 49 GLU CA . 26544 1 411 . 1 1 49 49 GLU CB C 13 30.162 0.008 . 1 . . . . 49 GLU CB . 26544 1 412 . 1 1 49 49 GLU CG C 13 36.559 0 . 1 . . . . 49 GLU CG . 26544 1 413 . 1 1 49 49 GLU N N 15 122.717 0.134 . 1 . . . . 49 GLU N . 26544 1 414 . 1 1 50 50 GLY H H 1 8.406 0.003 . 1 . . . . 50 GLY HN . 26544 1 415 . 1 1 50 50 GLY HA2 H 1 3.829 0 . 1 . . . . 50 GLY HA2 . 26544 1 416 . 1 1 50 50 GLY HA3 H 1 3.829 0 . 1 . . . . 50 GLY HA3 . 26544 1 417 . 1 1 50 50 GLY C C 13 173.861 0 . 1 . . . . 50 GLY C . 26544 1 418 . 1 1 50 50 GLY CA C 13 44.974 0.205 . 1 . . . . 50 GLY CA . 26544 1 419 . 1 1 50 50 GLY N N 15 110.41 0.048 . 1 . . . . 50 GLY N . 26544 1 420 . 1 1 51 51 THR H H 1 8.05 0.008 . 1 . . . . 51 THR HN . 26544 1 421 . 1 1 51 51 THR HA H 1 4.403 0 . 1 . . . . 51 THR HA . 26544 1 422 . 1 1 51 51 THR CA C 13 59.977 0 . 1 . . . . 51 THR CA . 26544 1 423 . 1 1 51 51 THR CB C 13 69.767 0 . 1 . . . . 51 THR CB . 26544 1 424 . 1 1 51 51 THR N N 15 116.845 0.032 . 1 . . . . 51 THR N . 26544 1 425 . 1 1 53 53 PRO HA H 1 4.259 0 . 1 . . . . 53 PRO HA . 26544 1 426 . 1 1 53 53 PRO C C 13 176.878 0 . 1 . . . . 53 PRO C . 26544 1 427 . 1 1 53 53 PRO CA C 13 62.649 0 . 1 . . . . 53 PRO CA . 26544 1 428 . 1 1 53 53 PRO CB C 13 31.909 0 . 1 . . . . 53 PRO CB . 26544 1 429 . 1 1 53 53 PRO CG C 13 27.366 0 . 1 . . . . 53 PRO CG . 26544 1 430 . 1 1 53 53 PRO CD C 13 50.406 0 . 1 . . . . 53 PRO CD . 26544 1 431 . 1 1 54 54 ILE H H 1 8.199 0.004 . 1 . . . . 54 ILE HN . 26544 1 432 . 1 1 54 54 ILE HA H 1 3.891 0.003 . 1 . . . . 54 ILE HA . 26544 1 433 . 1 1 54 54 ILE HB H 1 1.863 0 . 1 . . . . 54 ILE HB . 26544 1 434 . 1 1 54 54 ILE HG12 H 1 1.551 0 . 1 . . . . 54 ILE HG12 . 26544 1 435 . 1 1 54 54 ILE HG13 H 1 1.551 0 . 1 . . . . 54 ILE HG13 . 26544 1 436 . 1 1 54 54 ILE HD11 H 1 0.768 0 . 1 . . . . 54 ILE HD1 . 26544 1 437 . 1 1 54 54 ILE HD12 H 1 0.768 0 . 1 . . . . 54 ILE HD1 . 26544 1 438 . 1 1 54 54 ILE HD13 H 1 0.768 0 . 1 . . . . 54 ILE HD1 . 26544 1 439 . 1 1 54 54 ILE C C 13 176.384 0 . 1 . . . . 54 ILE C . 26544 1 440 . 1 1 54 54 ILE CA C 13 61.333 0.192 . 1 . . . . 54 ILE CA . 26544 1 441 . 1 1 54 54 ILE CB C 13 38.537 0.111 . 1 . . . . 54 ILE CB . 26544 1 442 . 1 1 54 54 ILE CG1 C 13 27.288 0 . 1 . . . . 54 ILE CG1 . 26544 1 443 . 1 1 54 54 ILE CG2 C 13 17.939 0 . 1 . . . . 54 ILE CG2 . 26544 1 444 . 1 1 54 54 ILE CD1 C 13 13.128 0 . 1 . . . . 54 ILE CD1 . 26544 1 445 . 1 1 54 54 ILE N N 15 121.321 0.128 . 1 . . . . 54 ILE N . 26544 1 446 . 1 1 55 55 GLU H H 1 8.425 0.007 . 1 . . . . 55 GLU HN . 26544 1 447 . 1 1 55 55 GLU HA H 1 4.108 0.005 . 1 . . . . 55 GLU HA . 26544 1 448 . 1 1 55 55 GLU HB2 H 1 1.766 0 . 1 . . . . 55 GLU HB2 . 26544 1 449 . 1 1 55 55 GLU HB3 H 1 1.766 0 . 1 . . . . 55 GLU HB3 . 26544 1 450 . 1 1 55 55 GLU C C 13 176.114 0 . 1 . . . . 55 GLU C . 26544 1 451 . 1 1 55 55 GLU CA C 13 56.421 0.13 . 1 . . . . 55 GLU CA . 26544 1 452 . 1 1 55 55 GLU CB C 13 30.324 0.147 . 1 . . . . 55 GLU CB . 26544 1 453 . 1 1 55 55 GLU CG C 13 36.402 0 . 1 . . . . 55 GLU CG . 26544 1 454 . 1 1 55 55 GLU N N 15 125.314 0.07 . 1 . . . . 55 GLU N . 26544 1 455 . 1 1 56 56 GLU H H 1 8.385 0.024 . 1 . . . . 56 GLU HN . 26544 1 456 . 1 1 56 56 GLU HA H 1 4.082 0.001 . 1 . . . . 56 GLU HA . 26544 1 457 . 1 1 56 56 GLU HB2 H 1 1.746 0 . 1 . . . . 56 GLU HB2 . 26544 1 458 . 1 1 56 56 GLU HB3 H 1 1.746 0 . 1 . . . . 56 GLU HB3 . 26544 1 459 . 1 1 56 56 GLU C C 13 176.143 0 . 1 . . . . 56 GLU C . 26544 1 460 . 1 1 56 56 GLU CA C 13 56.257 0.103 . 1 . . . . 56 GLU CA . 26544 1 461 . 1 1 56 56 GLU CB C 13 30.232 0.025 . 1 . . . . 56 GLU CB . 26544 1 462 . 1 1 56 56 GLU CG C 13 36.285 0 . 1 . . . . 56 GLU CG . 26544 1 463 . 1 1 56 56 GLU N N 15 123.571 0.368 . 1 . . . . 56 GLU N . 26544 1 464 . 1 1 57 57 ARG H H 1 8.32 0.008 . 1 . . . . 57 ARG HN . 26544 1 465 . 1 1 57 57 ARG HA H 1 4.134 0.003 . 1 . . . . 57 ARG HA . 26544 1 466 . 1 1 57 57 ARG HB2 H 1 1.599 0 . 1 . . . . 57 ARG HB2 . 26544 1 467 . 1 1 57 57 ARG HB3 H 1 1.599 0 . 1 . . . . 57 ARG HB3 . 26544 1 468 . 1 1 57 57 ARG HD2 H 1 3.702 0 . 1 . . . . 57 ARG HD2 . 26544 1 469 . 1 1 57 57 ARG HD3 H 1 3.702 0 . 1 . . . . 57 ARG HD3 . 26544 1 470 . 1 1 57 57 ARG C C 13 175.934 0 . 1 . . . . 57 ARG C . 26544 1 471 . 1 1 57 57 ARG CA C 13 56.056 0.051 . 1 . . . . 57 ARG CA . 26544 1 472 . 1 1 57 57 ARG CB C 13 30.415 0.05 . 1 . . . . 57 ARG CB . 26544 1 473 . 1 1 57 57 ARG CG C 13 27.171 0 . 1 . . . . 57 ARG CG . 26544 1 474 . 1 1 57 57 ARG CD C 13 42.935 0 . 1 . . . . 57 ARG CD . 26544 1 475 . 1 1 57 57 ARG N N 15 123.428 0 . 1 . . . . 57 ARG N . 26544 1 476 . 1 1 58 58 LYS H H 1 8.416 0.009 . 1 . . . . 58 LYS HN . 26544 1 477 . 1 1 58 58 LYS HA H 1 4.146 0.004 . 1 . . . . 58 LYS HA . 26544 1 478 . 1 1 58 58 LYS HB2 H 1 1.609 0 . 1 . . . . 58 LYS HB2 . 26544 1 479 . 1 1 58 58 LYS HB3 H 1 1.609 0 . 1 . . . . 58 LYS HB3 . 26544 1 480 . 1 1 58 58 LYS HG2 H 1 1.032 0 . 1 . . . . 58 LYS HG2 . 26544 1 481 . 1 1 58 58 LYS HG3 H 1 1.032 0 . 1 . . . . 58 LYS HG3 . 26544 1 482 . 1 1 58 58 LYS C C 13 176.475 0 . 1 . . . . 58 LYS C . 26544 1 483 . 1 1 58 58 LYS CA C 13 56.129 0.001 . 1 . . . . 58 LYS CA . 26544 1 484 . 1 1 58 58 LYS CB C 13 32.99 0.206 . 1 . . . . 58 LYS CB . 26544 1 485 . 1 1 58 58 LYS CG C 13 24.902 0 . 1 . . . . 58 LYS CG . 26544 1 486 . 1 1 58 58 LYS CD C 13 29.009 0 . 1 . . . . 58 LYS CD . 26544 1 487 . 1 1 58 58 LYS CE C 13 42.074 0 . 1 . . . . 58 LYS CE . 26544 1 488 . 1 1 58 58 LYS N N 15 124.413 0.076 . 1 . . . . 58 LYS N . 26544 1 489 . 1 1 59 59 VAL H H 1 8.279 0.009 . 1 . . . . 59 VAL HN . 26544 1 490 . 1 1 59 59 VAL HA H 1 3.949 0.003 . 1 . . . . 59 VAL HA . 26544 1 491 . 1 1 59 59 VAL HB H 1 1.873 0 . 1 . . . . 59 VAL HB . 26544 1 492 . 1 1 59 59 VAL HG11 H 1 0.758 0 . 2 . . . . 59 VAL HG1 . 26544 1 493 . 1 1 59 59 VAL HG12 H 1 0.758 0 . 2 . . . . 59 VAL HG1 . 26544 1 494 . 1 1 59 59 VAL HG13 H 1 0.758 0 . 2 . . . . 59 VAL HG1 . 26544 1 495 . 1 1 59 59 VAL C C 13 176.107 0 . 1 . . . . 59 VAL C . 26544 1 496 . 1 1 59 59 VAL CA C 13 62.143 0.068 . 1 . . . . 59 VAL CA . 26544 1 497 . 1 1 59 59 VAL CB C 13 32.716 0.168 . 1 . . . . 59 VAL CB . 26544 1 498 . 1 1 59 59 VAL CG1 C 13 21.03 0 . 1 . . . . 59 VAL CG1 . 26544 1 499 . 1 1 59 59 VAL N N 15 122.721 0.097 . 1 . . . . 59 VAL N . 26544 1 500 . 1 1 60 60 GLU H H 1 8.481 0.002 . 1 . . . . 60 GLU HN . 26544 1 501 . 1 1 60 60 GLU HA H 1 4.133 0.011 . 1 . . . . 60 GLU HA . 26544 1 502 . 1 1 60 60 GLU HB2 H 1 1.805 0 . 1 . . . . 60 GLU HB2 . 26544 1 503 . 1 1 60 60 GLU HB3 H 1 1.805 0 . 1 . . . . 60 GLU HB3 . 26544 1 504 . 1 1 60 60 GLU C C 13 176.818 0 . 1 . . . . 60 GLU C . 26544 1 505 . 1 1 60 60 GLU CA C 13 56.546 0.054 . 1 . . . . 60 GLU CA . 26544 1 506 . 1 1 60 60 GLU CB C 13 30.256 0.046 . 1 . . . . 60 GLU CB . 26544 1 507 . 1 1 60 60 GLU CG C 13 36.52 0 . 1 . . . . 60 GLU CG . 26544 1 508 . 1 1 60 60 GLU N N 15 125.206 0.038 . 1 . . . . 60 GLU N . 26544 1 509 . 1 1 61 61 GLY H H 1 8.354 0.004 . 1 . . . . 61 GLY HN . 26544 1 510 . 1 1 61 61 GLY HA2 H 1 3.798 0.018 . 1 . . . . 61 GLY HA2 . 26544 1 511 . 1 1 61 61 GLY HA3 H 1 3.798 0.018 . 1 . . . . 61 GLY HA3 . 26544 1 512 . 1 1 61 61 GLY C C 13 173.709 0 . 1 . . . . 61 GLY C . 26544 1 513 . 1 1 61 61 GLY CA C 13 45.28 0 . 1 . . . . 61 GLY CA . 26544 1 514 . 1 1 61 61 GLY N N 15 110.273 0.046 . 1 . . . . 61 GLY N . 26544 1 515 . 1 1 62 62 ASP H H 1 8.205 0.01 . 1 . . . . 62 ASP HN . 26544 1 516 . 1 1 62 62 ASP HA H 1 4.008 0 . 1 . . . . 62 ASP HA . 26544 1 517 . 1 1 62 62 ASP N N 15 120.241 0.129 . 1 . . . . 62 ASP N . 26544 1 518 . 1 1 63 63 CYS H H 1 8.297 0.01 . 1 . . . . 63 CYS HN . 26544 1 519 . 1 1 63 63 CYS HA H 1 4.368 0 . 1 . . . . 63 CYS HA . 26544 1 520 . 1 1 63 63 CYS N N 15 120.019 0 . 1 . . . . 63 CYS N . 26544 1 521 . 1 1 64 64 GLN H H 1 8.45 0.002 . 1 . . . . 64 GLN HN . 26544 1 522 . 1 1 64 64 GLN HA H 1 4.095 0 . 1 . . . . 64 GLN HA . 26544 1 523 . 1 1 64 64 GLN N N 15 122.938 0 . 1 . . . . 64 GLN N . 26544 1 524 . 1 1 65 65 GLU H H 1 8.398 0.005 . 1 . . . . 65 GLU HN . 26544 1 525 . 1 1 65 65 GLU HA H 1 4.456 0 . 1 . . . . 65 GLU HA . 26544 1 526 . 1 1 65 65 GLU N N 15 122.029 0 . 1 . . . . 65 GLU N . 26544 1 527 . 1 1 66 66 MET H H 1 8.284 0.003 . 1 . . . . 66 MET HN . 26544 1 528 . 1 1 66 66 MET HA H 1 4.177 0.035 . 1 . . . . 66 MET HA . 26544 1 529 . 1 1 66 66 MET HB2 H 1 1.893 0 . 1 . . . . 66 MET HB2 . 26544 1 530 . 1 1 66 66 MET HB3 H 1 1.893 0 . 1 . . . . 66 MET HB3 . 26544 1 531 . 1 1 66 66 MET C C 13 176.065 0 . 1 . . . . 66 MET C . 26544 1 532 . 1 1 66 66 MET CA C 13 56.13 0 . 1 . . . . 66 MET CA . 26544 1 533 . 1 1 66 66 MET CB C 13 32.899 0 . 1 . . . . 66 MET CB . 26544 1 534 . 1 1 66 66 MET N N 15 121.274 0 . 1 . . . . 66 MET N . 26544 1 535 . 1 1 67 67 ASP H H 1 8.304 0.012 . 1 . . . . 67 ASP HN . 26544 1 536 . 1 1 67 67 ASP HA H 1 4.416 0.011 . 1 . . . . 67 ASP HA . 26544 1 537 . 1 1 67 67 ASP HB2 H 1 2.616 0 . 1 . . . . 67 ASP HB2 . 26544 1 538 . 1 1 67 67 ASP HB3 H 1 2.616 0 . 1 . . . . 67 ASP HB3 . 26544 1 539 . 1 1 67 67 ASP C C 13 176.671 0 . 1 . . . . 67 ASP C . 26544 1 540 . 1 1 67 67 ASP CA C 13 54.466 0.109 . 1 . . . . 67 ASP CA . 26544 1 541 . 1 1 67 67 ASP CB C 13 40.783 0.061 . 1 . . . . 67 ASP CB . 26544 1 542 . 1 1 67 67 ASP N N 15 121.65 0 . 1 . . . . 67 ASP N . 26544 1 543 . 1 1 68 68 LEU H H 1 8.152 0.008 . 1 . . . . 68 LEU HN . 26544 1 544 . 1 1 68 68 LEU HA H 1 4.097 0.016 . 1 . . . . 68 LEU HA . 26544 1 545 . 1 1 68 68 LEU HB2 H 1 1.492 0 . 1 . . . . 68 LEU HB2 . 26544 1 546 . 1 1 68 68 LEU HB3 H 1 1.492 0 . 1 . . . . 68 LEU HB3 . 26544 1 547 . 1 1 68 68 LEU C C 13 178.285 0 . 1 . . . . 68 LEU C . 26544 1 548 . 1 1 68 68 LEU CA C 13 56.156 0.271 . 1 . . . . 68 LEU CA . 26544 1 549 . 1 1 68 68 LEU CB C 13 41.856 0.039 . 1 . . . . 68 LEU CB . 26544 1 550 . 1 1 68 68 LEU CG C 13 27.014 0 . 1 . . . . 68 LEU CG . 26544 1 551 . 1 1 68 68 LEU CD1 C 13 23.807 0 . 1 . . . . 68 LEU CD1 . 26544 1 552 . 1 1 68 68 LEU N N 15 123.092 0.029 . 1 . . . . 68 LEU N . 26544 1 553 . 1 1 69 69 GLU H H 1 8.251 0.004 . 1 . . . . 69 GLU HN . 26544 1 554 . 1 1 69 69 GLU HA H 1 3.995 0.01 . 1 . . . . 69 GLU HA . 26544 1 555 . 1 1 69 69 GLU HB2 H 1 1.893 0 . 1 . . . . 69 GLU HB2 . 26544 1 556 . 1 1 69 69 GLU HB3 H 1 1.893 0 . 1 . . . . 69 GLU HB3 . 26544 1 557 . 1 1 69 69 GLU C C 13 177.438 0 . 1 . . . . 69 GLU C . 26544 1 558 . 1 1 69 69 GLU CA C 13 57.041 0.374 . 1 . . . . 69 GLU CA . 26544 1 559 . 1 1 69 69 GLU CB C 13 29.708 0.323 . 1 . . . . 69 GLU CB . 26544 1 560 . 1 1 69 69 GLU CG C 13 36.402 0 . 1 . . . . 69 GLU CG . 26544 1 561 . 1 1 69 69 GLU N N 15 120.102 0 . 1 . . . . 69 GLU N . 26544 1 562 . 1 1 70 70 LYS H H 1 7.968 0.002 . 1 . . . . 70 LYS HN . 26544 1 563 . 1 1 70 70 LYS HA H 1 4.099 0.016 . 1 . . . . 70 LYS HA . 26544 1 564 . 1 1 70 70 LYS HB2 H 1 1.648 0 . 1 . . . . 70 LYS HB2 . 26544 1 565 . 1 1 70 70 LYS HB3 H 1 1.648 0 . 1 . . . . 70 LYS HB3 . 26544 1 566 . 1 1 70 70 LYS HG2 H 1 1.257 0 . 1 . . . . 70 LYS HG2 . 26544 1 567 . 1 1 70 70 LYS HG3 H 1 1.257 0 . 1 . . . . 70 LYS HG3 . 26544 1 568 . 1 1 70 70 LYS C C 13 177.446 0 . 1 . . . . 70 LYS C . 26544 1 569 . 1 1 70 70 LYS CA C 13 57.089 0.058 . 1 . . . . 70 LYS CA . 26544 1 570 . 1 1 70 70 LYS CB C 13 32.587 0.043 . 1 . . . . 70 LYS CB . 26544 1 571 . 1 1 70 70 LYS CG C 13 24.98 0 . 1 . . . . 70 LYS CG . 26544 1 572 . 1 1 70 70 LYS CD C 13 29.244 0 . 1 . . . . 70 LYS CD . 26544 1 573 . 1 1 70 70 LYS CE C 13 42.152 0 . 1 . . . . 70 LYS CE . 26544 1 574 . 1 1 70 70 LYS N N 15 121.037 0.015 . 1 . . . . 70 LYS N . 26544 1 575 . 1 1 71 71 THR H H 1 7.974 0.005 . 1 . . . . 71 THR HN . 26544 1 576 . 1 1 71 71 THR HA H 1 4.069 0.006 . 1 . . . . 71 THR HA . 26544 1 577 . 1 1 71 71 THR HB H 1 3.692 0 . 1 . . . . 71 THR HB . 26544 1 578 . 1 1 71 71 THR HG21 H 1 1.052 0 . 1 . . . . 71 THR HG2 . 26544 1 579 . 1 1 71 71 THR HG22 H 1 1.052 0 . 1 . . . . 71 THR HG2 . 26544 1 580 . 1 1 71 71 THR HG23 H 1 1.052 0 . 1 . . . . 71 THR HG2 . 26544 1 581 . 1 1 71 71 THR C C 13 175.067 0 . 1 . . . . 71 THR C . 26544 1 582 . 1 1 71 71 THR CA C 13 62.733 0.019 . 1 . . . . 71 THR CA . 26544 1 583 . 1 1 71 71 THR CB C 13 69.445 0.08 . 1 . . . . 71 THR CB . 26544 1 584 . 1 1 71 71 THR N N 15 114.24 0.031 . 1 . . . . 71 THR N . 26544 1 585 . 1 1 72 72 ARG H H 1 8.157 0.005 . 1 . . . . 72 ARG HN . 26544 1 586 . 1 1 72 72 ARG HA H 1 4.107 0.006 . 1 . . . . 72 ARG HA . 26544 1 587 . 1 1 72 72 ARG HB2 H 1 1.678 0 . 1 . . . . 72 ARG HB2 . 26544 1 588 . 1 1 72 72 ARG HB3 H 1 1.678 0 . 1 . . . . 72 ARG HB3 . 26544 1 589 . 1 1 72 72 ARG C C 13 176.832 0 . 1 . . . . 72 ARG C . 26544 1 590 . 1 1 72 72 ARG CA C 13 56.789 0.152 . 1 . . . . 72 ARG CA . 26544 1 591 . 1 1 72 72 ARG CB C 13 30.56 0.037 . 1 . . . . 72 ARG CB . 26544 1 592 . 1 1 72 72 ARG CG C 13 27.523 0 . 1 . . . . 72 ARG CG . 26544 1 593 . 1 1 72 72 ARG CD C 13 41.135 0 . 1 . . . . 72 ARG CD . 26544 1 594 . 1 1 72 72 ARG N N 15 123.122 0.051 . 1 . . . . 72 ARG N . 26544 1 595 . 1 1 73 73 SER H H 1 8.26 0.039 . 1 . . . . 73 SER HN . 26544 1 596 . 1 1 73 73 SER HA H 1 4.198 0 . 1 . . . . 73 SER HA . 26544 1 597 . 1 1 73 73 SER C C 13 174.901 0 . 1 . . . . 73 SER C . 26544 1 598 . 1 1 73 73 SER CA C 13 58.959 0.011 . 1 . . . . 73 SER CA . 26544 1 599 . 1 1 73 73 SER CB C 13 63.65 0.043 . 1 . . . . 73 SER CB . 26544 1 600 . 1 1 73 73 SER N N 15 116.832 0.213 . 1 . . . . 73 SER N . 26544 1 601 . 1 1 74 74 GLU H H 1 8.301 0.003 . 1 . . . . 74 GLU HN . 26544 1 602 . 1 1 74 74 GLU HA H 1 4.142 0.01 . 1 . . . . 74 GLU HA . 26544 1 603 . 1 1 74 74 GLU HB2 H 1 1.854 0 . 1 . . . . 74 GLU HB2 . 26544 1 604 . 1 1 74 74 GLU HB3 H 1 1.854 0 . 1 . . . . 74 GLU HB3 . 26544 1 605 . 1 1 74 74 GLU C C 13 176.759 0 . 1 . . . . 74 GLU C . 26544 1 606 . 1 1 74 74 GLU CA C 13 56.723 0.064 . 1 . . . . 74 GLU CA . 26544 1 607 . 1 1 74 74 GLU CB C 13 29.973 0.2 . 1 . . . . 74 GLU CB . 26544 1 608 . 1 1 74 74 GLU CG C 13 36.637 0 . 1 . . . . 74 GLU CG . 26544 1 609 . 1 1 74 74 GLU N N 15 122.738 0.032 . 1 . . . . 74 GLU N . 26544 1 610 . 1 1 75 75 ARG H H 1 8.249 0.009 . 1 . . . . 75 ARG HN . 26544 1 611 . 1 1 75 75 ARG HA H 1 4.163 0.001 . 1 . . . . 75 ARG HA . 26544 1 612 . 1 1 75 75 ARG HB2 H 1 1.746 0 . 1 . . . . 75 ARG HB2 . 26544 1 613 . 1 1 75 75 ARG HB3 H 1 1.746 0 . 1 . . . . 75 ARG HB3 . 26544 1 614 . 1 1 75 75 ARG HG2 H 1 1.551 0 . 1 . . . . 75 ARG HG2 . 26544 1 615 . 1 1 75 75 ARG HG3 H 1 1.551 0 . 1 . . . . 75 ARG HG3 . 26544 1 616 . 1 1 75 75 ARG C C 13 177.144 0 . 1 . . . . 75 ARG C . 26544 1 617 . 1 1 75 75 ARG CA C 13 56.503 0.025 . 1 . . . . 75 ARG CA . 26544 1 618 . 1 1 75 75 ARG CB C 13 30.723 0.031 . 1 . . . . 75 ARG CB . 26544 1 619 . 1 1 75 75 ARG CG C 13 27.249 0 . 1 . . . . 75 ARG CG . 26544 1 620 . 1 1 75 75 ARG CD C 13 43.404 0 . 1 . . . . 75 ARG CD . 26544 1 621 . 1 1 75 75 ARG N N 15 121.124 0.019 . 1 . . . . 75 ARG N . 26544 1 622 . 1 1 76 76 GLY H H 1 8.312 0.004 . 1 . . . . 76 GLY HN . 26544 1 623 . 1 1 76 76 GLY HA2 H 1 3.84 0.031 . 1 . . . . 76 GLY HA2 . 26544 1 624 . 1 1 76 76 GLY HA3 H 1 3.84 0.031 . 1 . . . . 76 GLY HA3 . 26544 1 625 . 1 1 76 76 GLY C C 13 174.089 0 . 1 . . . . 76 GLY C . 26544 1 626 . 1 1 76 76 GLY CA C 13 45.244 0.102 . 1 . . . . 76 GLY CA . 26544 1 627 . 1 1 76 76 GLY N N 15 109.57 0.032 . 1 . . . . 76 GLY N . 26544 1 628 . 1 1 77 77 ASP H H 1 8.184 0.009 . 1 . . . . 77 ASP HN . 26544 1 629 . 1 1 77 77 ASP HA H 1 4.456 0 . 1 . . . . 77 ASP HA . 26544 1 630 . 1 1 77 77 ASP HB2 H 1 2.538 0 . 1 . . . . 77 ASP HB2 . 26544 1 631 . 1 1 77 77 ASP HB3 H 1 2.538 0 . 1 . . . . 77 ASP HB3 . 26544 1 632 . 1 1 77 77 ASP C C 13 177.116 0 . 1 . . . . 77 ASP C . 26544 1 633 . 1 1 77 77 ASP CA C 13 54.029 0.129 . 1 . . . . 77 ASP CA . 26544 1 634 . 1 1 77 77 ASP CB C 13 41.044 0.051 . 1 . . . . 77 ASP CB . 26544 1 635 . 1 1 77 77 ASP N N 15 120.08 0 . 1 . . . . 77 ASP N . 26544 1 636 . 1 1 78 78 GLY H H 1 8.442 0.009 . 1 . . . . 78 GLY HN . 26544 1 637 . 1 1 78 78 GLY HA2 H 1 3.789 0 . 1 . . . . 78 GLY HA2 . 26544 1 638 . 1 1 78 78 GLY HA3 H 1 3.789 0 . 1 . . . . 78 GLY HA3 . 26544 1 639 . 1 1 78 78 GLY C C 13 174.719 0 . 1 . . . . 78 GLY C . 26544 1 640 . 1 1 78 78 GLY CA C 13 45.383 0.028 . 1 . . . . 78 GLY CA . 26544 1 641 . 1 1 78 78 GLY N N 15 109.666 0.028 . 1 . . . . 78 GLY N . 26544 1 642 . 1 1 79 79 SER H H 1 8.183 0.009 . 1 . . . . 79 SER HN . 26544 1 643 . 1 1 79 79 SER HA H 1 4.198 0 . 1 . . . . 79 SER HA . 26544 1 644 . 1 1 79 79 SER C C 13 174.473 0 . 1 . . . . 79 SER C . 26544 1 645 . 1 1 79 79 SER CA C 13 58.819 0.084 . 1 . . . . 79 SER CA . 26544 1 646 . 1 1 79 79 SER CB C 13 63.805 0.008 . 1 . . . . 79 SER CB . 26544 1 647 . 1 1 79 79 SER N N 15 115.794 0.05 . 1 . . . . 79 SER N . 26544 1 648 . 1 1 80 80 ASP H H 1 8.4 0.006 . 1 . . . . 80 ASP HN . 26544 1 649 . 1 1 80 80 ASP HA H 1 4.429 0.003 . 1 . . . . 80 ASP HA . 26544 1 650 . 1 1 80 80 ASP HB2 H 1 2.46 0 . 1 . . . . 80 ASP HB2 . 26544 1 651 . 1 1 80 80 ASP HB3 H 1 2.46 0 . 1 . . . . 80 ASP HB3 . 26544 1 652 . 1 1 80 80 ASP C C 13 176.133 0 . 1 . . . . 80 ASP C . 26544 1 653 . 1 1 80 80 ASP CA C 13 55.178 0.254 . 1 . . . . 80 ASP CA . 26544 1 654 . 1 1 80 80 ASP CB C 13 40.728 0.004 . 1 . . . . 80 ASP CB . 26544 1 655 . 1 1 80 80 ASP N N 15 122.069 0.06 . 1 . . . . 80 ASP N . 26544 1 656 . 1 1 81 81 VAL H H 1 7.885 0.013 . 1 . . . . 81 VAL HN . 26544 1 657 . 1 1 81 81 VAL HA H 1 3.92 0.031 . 1 . . . . 81 VAL HA . 26544 1 658 . 1 1 81 81 VAL HB H 1 1.893 0 . 1 . . . . 81 VAL HB . 26544 1 659 . 1 1 81 81 VAL HG11 H 1 0.739 0 . 2 . . . . 81 VAL HG1 . 26544 1 660 . 1 1 81 81 VAL HG12 H 1 0.739 0 . 2 . . . . 81 VAL HG1 . 26544 1 661 . 1 1 81 81 VAL HG13 H 1 0.739 0 . 2 . . . . 81 VAL HG1 . 26544 1 662 . 1 1 81 81 VAL C C 13 176.283 0 . 1 . . . . 81 VAL C . 26544 1 663 . 1 1 81 81 VAL CA C 13 62.485 0.101 . 1 . . . . 81 VAL CA . 26544 1 664 . 1 1 81 81 VAL CB C 13 32.318 0.008 . 1 . . . . 81 VAL CB . 26544 1 665 . 1 1 81 81 VAL CG1 C 13 20.99 0 . 1 . . . . 81 VAL CG1 . 26544 1 666 . 1 1 81 81 VAL N N 15 120.407 0.055 . 1 . . . . 81 VAL N . 26544 1 667 . 1 1 82 82 LYS H H 1 8.265 0.002 . 1 . . . . 82 LYS HN . 26544 1 668 . 1 1 82 82 LYS HA H 1 4.126 0.004 . 1 . . . . 82 LYS HA . 26544 1 669 . 1 1 82 82 LYS HB2 H 1 1.59 0 . 1 . . . . 82 LYS HB2 . 26544 1 670 . 1 1 82 82 LYS HB3 H 1 1.59 0 . 1 . . . . 82 LYS HB3 . 26544 1 671 . 1 1 82 82 LYS C C 13 176.583 0 . 1 . . . . 82 LYS C . 26544 1 672 . 1 1 82 82 LYS CA C 13 56.173 0.06 . 1 . . . . 82 LYS CA . 26544 1 673 . 1 1 82 82 LYS CB C 13 32.816 0.039 . 1 . . . . 82 LYS CB . 26544 1 674 . 1 1 82 82 LYS CG C 13 24.902 0 . 1 . . . . 82 LYS CG . 26544 1 675 . 1 1 82 82 LYS CD C 13 29.088 0 . 1 . . . . 82 LYS CD . 26544 1 676 . 1 1 82 82 LYS CE C 13 42.426 0 . 1 . . . . 82 LYS CE . 26544 1 677 . 1 1 82 82 LYS N N 15 125.195 0.04 . 1 . . . . 82 LYS N . 26544 1 678 . 1 1 83 83 GLU H H 1 8.284 0.006 . 1 . . . . 83 GLU HN . 26544 1 679 . 1 1 83 83 GLU HA H 1 4.091 0.022 . 1 . . . . 83 GLU HA . 26544 1 680 . 1 1 83 83 GLU HB2 H 1 1.766 0 . 1 . . . . 83 GLU HB2 . 26544 1 681 . 1 1 83 83 GLU HB3 H 1 1.766 0 . 1 . . . . 83 GLU HB3 . 26544 1 682 . 1 1 83 83 GLU C C 13 176.359 0 . 1 . . . . 83 GLU C . 26544 1 683 . 1 1 83 83 GLU CA C 13 56.549 0.026 . 1 . . . . 83 GLU CA . 26544 1 684 . 1 1 83 83 GLU CB C 13 29.958 0.13 . 1 . . . . 83 GLU CB . 26544 1 685 . 1 1 83 83 GLU CG C 13 36.481 0 . 1 . . . . 83 GLU CG . 26544 1 686 . 1 1 83 83 GLU N N 15 122.186 0 . 1 . . . . 83 GLU N . 26544 1 687 . 1 1 84 84 LYS H H 1 8.348 0.012 . 1 . . . . 84 LYS HN . 26544 1 688 . 1 1 84 84 LYS HA H 1 4.162 0.01 . 1 . . . . 84 LYS HA . 26544 1 689 . 1 1 84 84 LYS HB2 H 1 1.59 0 . 1 . . . . 84 LYS HB2 . 26544 1 690 . 1 1 84 84 LYS HB3 H 1 1.59 0 . 1 . . . . 84 LYS HB3 . 26544 1 691 . 1 1 84 84 LYS C C 13 176.587 0 . 1 . . . . 84 LYS C . 26544 1 692 . 1 1 84 84 LYS CA C 13 56.228 0.232 . 1 . . . . 84 LYS CA . 26544 1 693 . 1 1 84 84 LYS CB C 13 32.912 0.079 . 1 . . . . 84 LYS CB . 26544 1 694 . 1 1 84 84 LYS CG C 13 24.941 0 . 1 . . . . 84 LYS CG . 26544 1 695 . 1 1 84 84 LYS CD C 13 29.283 0 . 1 . . . . 84 LYS CD . 26544 1 696 . 1 1 84 84 LYS CE C 13 41.88 0 . 1 . . . . 84 LYS CE . 26544 1 697 . 1 1 84 84 LYS N N 15 123.173 0.002 . 1 . . . . 84 LYS N . 26544 1 698 . 1 1 85 85 THR H H 1 8.184 0.002 . 1 . . . . 85 THR HN . 26544 1 699 . 1 1 85 85 THR HA H 1 4.335 0 . 1 . . . . 85 THR HA . 26544 1 700 . 1 1 85 85 THR CA C 13 60.012 0 . 1 . . . . 85 THR CA . 26544 1 701 . 1 1 85 85 THR CB C 13 69.66 0 . 1 . . . . 85 THR CB . 26544 1 702 . 1 1 85 85 THR N N 15 118.779 0.048 . 1 . . . . 85 THR N . 26544 1 703 . 1 1 87 87 PRO HA H 1 4.23 0 . 1 . . . . 87 PRO HA . 26544 1 704 . 1 1 87 87 PRO HB2 H 1 2.088 0 . 1 . . . . 87 PRO HB2 . 26544 1 705 . 1 1 87 87 PRO HB3 H 1 2.088 0 . 1 . . . . 87 PRO HB3 . 26544 1 706 . 1 1 87 87 PRO HG2 H 1 1.639 0 . 1 . . . . 87 PRO HG2 . 26544 1 707 . 1 1 87 87 PRO HG3 H 1 1.639 0 . 1 . . . . 87 PRO HG3 . 26544 1 708 . 1 1 87 87 PRO C C 13 176.287 0 . 1 . . . . 87 PRO C . 26544 1 709 . 1 1 87 87 PRO CA C 13 62.715 0.03 . 1 . . . . 87 PRO CA . 26544 1 710 . 1 1 87 87 PRO CB C 13 31.867 0.008 . 1 . . . . 87 PRO CB . 26544 1 711 . 1 1 87 87 PRO CG C 13 27.445 0 . 1 . . . . 87 PRO CG . 26544 1 712 . 1 1 87 87 PRO CD C 13 50.132 0 . 1 . . . . 87 PRO CD . 26544 1 713 . 1 1 88 88 ASN H H 1 8.48 0.002 . 1 . . . . 88 ASN HN . 26544 1 714 . 1 1 88 88 ASN HA H 1 4.731 0 . 1 . . . . 88 ASN HA . 26544 1 715 . 1 1 88 88 ASN CA C 13 51.083 0 . 1 . . . . 88 ASN CA . 26544 1 716 . 1 1 88 88 ASN CB C 13 38.557 0 . 1 . . . . 88 ASN CB . 26544 1 717 . 1 1 88 88 ASN N N 15 119.947 0.055 . 1 . . . . 88 ASN N . 26544 1 718 . 1 1 89 89 PRO HA H 1 4.152 0 . 1 . . . . 89 PRO HA . 26544 1 719 . 1 1 89 89 PRO HB2 H 1 2.088 0 . 1 . . . . 89 PRO HB2 . 26544 1 720 . 1 1 89 89 PRO HB3 H 1 2.088 0 . 1 . . . . 89 PRO HB3 . 26544 1 721 . 1 1 89 89 PRO C C 13 173.747 0 . 1 . . . . 89 PRO C . 26544 1 722 . 1 1 89 89 PRO CA C 13 63.471 0 . 1 . . . . 89 PRO CA . 26544 1 723 . 1 1 89 89 PRO CB C 13 31.913 0 . 1 . . . . 89 PRO CB . 26544 1 724 . 1 1 89 89 PRO CG C 13 27.327 0 . 1 . . . . 89 PRO CG . 26544 1 725 . 1 1 89 89 PRO CD C 13 51.149 0 . 1 . . . . 89 PRO CD . 26544 1 726 . 1 1 90 90 LYS H H 1 8.21 0.007 . 1 . . . . 90 LYS HN . 26544 1 727 . 1 1 90 90 LYS HA H 1 3.979 0.013 . 1 . . . . 90 LYS HA . 26544 1 728 . 1 1 90 90 LYS HB2 H 1 1.492 0 . 1 . . . . 90 LYS HB2 . 26544 1 729 . 1 1 90 90 LYS HB3 H 1 1.492 0 . 1 . . . . 90 LYS HB3 . 26544 1 730 . 1 1 90 90 LYS C C 13 176.655 0 . 1 . . . . 90 LYS C . 26544 1 731 . 1 1 90 90 LYS CA C 13 56.601 0.034 . 1 . . . . 90 LYS CA . 26544 1 732 . 1 1 90 90 LYS CB C 13 32.455 0.036 . 1 . . . . 90 LYS CB . 26544 1 733 . 1 1 90 90 LYS CG C 13 25.254 0 . 1 . . . . 90 LYS CG . 26544 1 734 . 1 1 90 90 LYS CD C 13 29.44 0 . 1 . . . . 90 LYS CD . 26544 1 735 . 1 1 90 90 LYS CE C 13 42.622 0 . 1 . . . . 90 LYS CE . 26544 1 736 . 1 1 90 90 LYS N N 15 120.228 0.07 . 1 . . . . 90 LYS N . 26544 1 737 . 1 1 91 91 HIS H H 1 8.041 0.005 . 1 . . . . 91 HIS HN . 26544 1 738 . 1 1 91 91 HIS HA H 1 4.492 0.007 . 1 . . . . 91 HIS HA . 26544 1 739 . 1 1 91 91 HIS HB2 H 1 2.92 0 . 1 . . . . 91 HIS HB2 . 26544 1 740 . 1 1 91 91 HIS HB3 H 1 2.92 0 . 1 . . . . 91 HIS HB3 . 26544 1 741 . 1 1 91 91 HIS C C 13 174.861 0 . 1 . . . . 91 HIS C . 26544 1 742 . 1 1 91 91 HIS CA C 13 55.385 0.084 . 1 . . . . 91 HIS CA . 26544 1 743 . 1 1 91 91 HIS CB C 13 30.2 0.063 . 1 . . . . 91 HIS CB . 26544 1 744 . 1 1 91 91 HIS N N 15 119.444 0.037 . 1 . . . . 91 HIS N . 26544 1 745 . 1 1 92 92 ALA H H 1 8.139 0.002 . 1 . . . . 92 ALA HN . 26544 1 746 . 1 1 92 92 ALA HA H 1 4.119 0.016 . 1 . . . . 92 ALA HA . 26544 1 747 . 1 1 92 92 ALA HB1 H 1 1.189 0 . 1 . . . . 92 ALA HB . 26544 1 748 . 1 1 92 92 ALA HB2 H 1 1.189 0 . 1 . . . . 92 ALA HB . 26544 1 749 . 1 1 92 92 ALA HB3 H 1 1.189 0 . 1 . . . . 92 ALA HB . 26544 1 750 . 1 1 92 92 ALA C C 13 177.624 0 . 1 . . . . 92 ALA C . 26544 1 751 . 1 1 92 92 ALA CA C 13 52.545 0.114 . 1 . . . . 92 ALA CA . 26544 1 752 . 1 1 92 92 ALA CB C 13 19.128 0.092 . 1 . . . . 92 ALA CB . 26544 1 753 . 1 1 92 92 ALA N N 15 125.304 0.063 . 1 . . . . 92 ALA N . 26544 1 754 . 1 1 93 93 LYS H H 1 8.356 0.004 . 1 . . . . 93 LYS HN . 26544 1 755 . 1 1 93 93 LYS HA H 1 4.2 0.019 . 1 . . . . 93 LYS HA . 26544 1 756 . 1 1 93 93 LYS HB2 H 1 1.629 0 . 1 . . . . 93 LYS HB2 . 26544 1 757 . 1 1 93 93 LYS HB3 H 1 1.629 0 . 1 . . . . 93 LYS HB3 . 26544 1 758 . 1 1 93 93 LYS C C 13 176.932 0 . 1 . . . . 93 LYS C . 26544 1 759 . 1 1 93 93 LYS CA C 13 56.318 0.081 . 1 . . . . 93 LYS CA . 26544 1 760 . 1 1 93 93 LYS CB C 13 32.889 0.046 . 1 . . . . 93 LYS CB . 26544 1 761 . 1 1 93 93 LYS CG C 13 24.941 0 . 1 . . . . 93 LYS CG . 26544 1 762 . 1 1 93 93 LYS CD C 13 29.518 0 . 1 . . . . 93 LYS CD . 26544 1 763 . 1 1 93 93 LYS CE C 13 41.879 0 . 1 . . . . 93 LYS CE . 26544 1 764 . 1 1 93 93 LYS N N 15 121.205 0.055 . 1 . . . . 93 LYS N . 26544 1 765 . 1 1 94 94 THR H H 1 8.123 0.007 . 1 . . . . 94 THR HN . 26544 1 766 . 1 1 94 94 THR HA H 1 4.107 0.023 . 1 . . . . 94 THR HA . 26544 1 767 . 1 1 94 94 THR HG21 H 1 1.062 0 . 1 . . . . 94 THR HG2 . 26544 1 768 . 1 1 94 94 THR HG22 H 1 1.062 0 . 1 . . . . 94 THR HG2 . 26544 1 769 . 1 1 94 94 THR HG23 H 1 1.062 0 . 1 . . . . 94 THR HG2 . 26544 1 770 . 1 1 94 94 THR C C 13 174.412 0 . 1 . . . . 94 THR C . 26544 1 771 . 1 1 94 94 THR CA C 13 61.851 0.196 . 1 . . . . 94 THR CA . 26544 1 772 . 1 1 94 94 THR CB C 13 69.811 0.077 . 1 . . . . 94 THR CB . 26544 1 773 . 1 1 94 94 THR N N 15 116.341 0.036 . 1 . . . . 94 THR N . 26544 1 774 . 1 1 95 95 LYS H H 1 8.338 0.005 . 1 . . . . 95 LYS HN . 26544 1 775 . 1 1 95 95 LYS HA H 1 4.113 0.01 . 1 . . . . 95 LYS HA . 26544 1 776 . 1 1 95 95 LYS HB2 H 1 1.639 0 . 1 . . . . 95 LYS HB2 . 26544 1 777 . 1 1 95 95 LYS HB3 H 1 1.639 0 . 1 . . . . 95 LYS HB3 . 26544 1 778 . 1 1 95 95 LYS C C 13 176.534 0 . 1 . . . . 95 LYS C . 26544 1 779 . 1 1 95 95 LYS CA C 13 56.259 0.186 . 1 . . . . 95 LYS CA . 26544 1 780 . 1 1 95 95 LYS CB C 13 32.93 0.028 . 1 . . . . 95 LYS CB . 26544 1 781 . 1 1 95 95 LYS CG C 13 24.746 0 . 1 . . . . 95 LYS CG . 26544 1 782 . 1 1 95 95 LYS N N 15 123.818 0.249 . 1 . . . . 95 LYS N . 26544 1 783 . 1 1 96 96 GLU H H 1 8.444 0.01 . 1 . . . . 96 GLU HN . 26544 1 784 . 1 1 96 96 GLU HA H 1 4.091 0.002 . 1 . . . . 96 GLU HA . 26544 1 785 . 1 1 96 96 GLU HB2 H 1 1.805 0 . 1 . . . . 96 GLU HB2 . 26544 1 786 . 1 1 96 96 GLU HB3 H 1 1.805 0 . 1 . . . . 96 GLU HB3 . 26544 1 787 . 1 1 96 96 GLU C C 13 176.299 0 . 1 . . . . 96 GLU C . 26544 1 788 . 1 1 96 96 GLU CA C 13 56.334 0.112 . 1 . . . . 96 GLU CA . 26544 1 789 . 1 1 96 96 GLU CB C 13 30.227 0.106 . 1 . . . . 96 GLU CB . 26544 1 790 . 1 1 96 96 GLU CG C 13 36.363 0 . 1 . . . . 96 GLU CG . 26544 1 791 . 1 1 96 96 GLU N N 15 122.923 0.003 . 1 . . . . 96 GLU N . 26544 1 792 . 1 1 97 97 ALA H H 1 8.343 0.008 . 1 . . . . 97 ALA HN . 26544 1 793 . 1 1 97 97 ALA HA H 1 4.122 0.008 . 1 . . . . 97 ALA HA . 26544 1 794 . 1 1 97 97 ALA HB1 H 1 1.238 0 . 1 . . . . 97 ALA HB . 26544 1 795 . 1 1 97 97 ALA HB2 H 1 1.238 0 . 1 . . . . 97 ALA HB . 26544 1 796 . 1 1 97 97 ALA HB3 H 1 1.238 0 . 1 . . . . 97 ALA HB . 26544 1 797 . 1 1 97 97 ALA C C 13 178.473 0 . 1 . . . . 97 ALA C . 26544 1 798 . 1 1 97 97 ALA CA C 13 52.906 0.025 . 1 . . . . 97 ALA CA . 26544 1 799 . 1 1 97 97 ALA CB C 13 19.046 0.026 . 1 . . . . 97 ALA CB . 26544 1 800 . 1 1 97 97 ALA N N 15 125.146 0.035 . 1 . . . . 97 ALA N . 26544 1 801 . 1 1 98 98 GLY H H 1 8.3 0.006 . 1 . . . . 98 GLY HN . 26544 1 802 . 1 1 98 98 GLY HA2 H 1 3.791 0.011 . 1 . . . . 98 GLY HA2 . 26544 1 803 . 1 1 98 98 GLY HA3 H 1 3.791 0.011 . 1 . . . . 98 GLY HA3 . 26544 1 804 . 1 1 98 98 GLY C C 13 174.062 0 . 1 . . . . 98 GLY C . 26544 1 805 . 1 1 98 98 GLY CA C 13 45.284 0.073 . 1 . . . . 98 GLY CA . 26544 1 806 . 1 1 98 98 GLY N N 15 108.178 0.035 . 1 . . . . 98 GLY N . 26544 1 807 . 1 1 99 99 ASP H H 1 8.139 0.026 . 1 . . . . 99 ASP HN . 26544 1 808 . 1 1 99 99 ASP HA H 1 4.446 0.01 . 1 . . . . 99 ASP HA . 26544 1 809 . 1 1 99 99 ASP HB2 H 1 2.519 0 . 1 . . . . 99 ASP HB2 . 26544 1 810 . 1 1 99 99 ASP HB3 H 1 2.519 0 . 1 . . . . 99 ASP HB3 . 26544 1 811 . 1 1 99 99 ASP C C 13 177.015 0 . 1 . . . . 99 ASP C . 26544 1 812 . 1 1 99 99 ASP CA C 13 54.38 0.144 . 1 . . . . 99 ASP CA . 26544 1 813 . 1 1 99 99 ASP CB C 13 41.128 0.057 . 1 . . . . 99 ASP CB . 26544 1 814 . 1 1 99 99 ASP N N 15 120.204 0.061 . 1 . . . . 99 ASP N . 26544 1 815 . 1 1 100 100 GLY H H 1 8.357 0.004 . 1 . . . . 100 GLY HN . 26544 1 816 . 1 1 100 100 GLY HA2 H 1 3.763 0.012 . 1 . . . . 100 GLY HA2 . 26544 1 817 . 1 1 100 100 GLY HA3 H 1 3.763 0.012 . 1 . . . . 100 GLY HA3 . 26544 1 818 . 1 1 100 100 GLY C C 13 173.968 0 . 1 . . . . 100 GLY C . 26544 1 819 . 1 1 100 100 GLY CA C 13 45.281 0.001 . 1 . . . . 100 GLY CA . 26544 1 820 . 1 1 100 100 GLY N N 15 109.305 0.012 . 1 . . . . 100 GLY N . 26544 1 821 . 1 1 101 101 GLN H H 1 8.06 0.007 . 1 . . . . 101 GLN HN . 26544 1 822 . 1 1 101 101 GLN HA H 1 4.444 0 . 1 . . . . 101 GLN HA . 26544 1 823 . 1 1 101 101 GLN CA C 13 53.43 0 . 1 . . . . 101 GLN CA . 26544 1 824 . 1 1 101 101 GLN CB C 13 28.661 0 . 1 . . . . 101 GLN CB . 26544 1 stop_ save_