data_17381 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17381 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for a putative surface protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-24 _Entry.Accession_date 2010-12-24 _Entry.Last_release_date 2012-02-29 _Entry.Original_release_date 2012-02-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Tao Wang . . . 17381 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17381 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 228 17381 '15N chemical shifts' 84 17381 '1H chemical shifts' 471 17381 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 . . 2012-02-29 2010-12-24 original author . 17381 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L7Y 'BMRB Entry Tracking System' 17381 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17381 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H and 15N Assigned Chemical Shifts for a putative surface protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tao Wang . . . 17381 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17381 _Assembly.ID 1 _Assembly.Name 'putative surface protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'putative surface protein' 1 $putative_surface_protein A . yes native no no . . . 17381 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_putative_surface_protein _Entity.Sf_category entity _Entity.Sf_framecode putative_surface_protein _Entity.Entry_ID 17381 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name putative_surface_protein _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 ; SPKTILGIEVSQEPKKDYLV GDSLDLSEGRFAVAYSNDTM EEHSFTDEGVEISGYDAQKT GRQTLTLHYQGHEVSFDVLV SPKAALNDELEHHHHHH ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L7Y . "Solution Structure Of A Putative Surface Protein" . . . . . 100.00 98 100.00 100.00 5.57e-63 . . . . 17381 1 2 no EMBL CEX10252 . "endo-beta-N-acetylglucosaminidase [Streptococcus pneumoniae]" . . . . . 91.75 866 97.75 98.88 5.88e-51 . . . . 17381 1 3 no EMBL CIR31810 . "endo-beta-N-acetylglucosaminidase [Streptococcus pneumoniae]" . . . . . 91.75 533 97.75 98.88 2.38e-52 . . . . 17381 1 4 no EMBL CIV87805 . "endo-beta-N-acetylglucosaminidase [Streptococcus pneumoniae]" . . . . . 91.75 211 97.75 98.88 2.73e-55 . . . . 17381 1 5 no EMBL CKF09277 . "endo-beta-N-acetylglucosaminidase [Streptococcus pneumoniae]" . . . . . 91.75 533 97.75 98.88 3.60e-52 . . . . 17381 1 6 no EMBL CKH75363 . "endo-beta-N-acetylglucosaminidase [Streptococcus pneumoniae]" . . . . . 91.75 211 97.75 98.88 2.30e-55 . . . . 17381 1 7 no GB EHD61255 . "LPXTG-motif cell wall anchor domain protein [Streptococcus pneumoniae GA41410]" . . . . . 65.98 489 98.44 100.00 6.76e-35 . . . . 17381 1 8 no GB EJG57305 . "LPXTG-motif cell wall anchor domain protein [Streptococcus pneumoniae 2080076]" . . . . . 65.98 489 98.44 100.00 6.44e-35 . . . . 17381 1 9 no REF WP_055387523 . "hypothetical protein [Streptococcus pneumoniae]" . . . . . 91.75 866 97.75 98.88 5.88e-51 . . . . 17381 1 stop_ 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 . SER . 17381 1 2 . PRO . 17381 1 3 . LYS . 17381 1 4 . THR . 17381 1 5 . ILE . 17381 1 6 . LEU . 17381 1 7 . GLY . 17381 1 8 . ILE . 17381 1 9 . GLU . 17381 1 10 . VAL . 17381 1 11 . SER . 17381 1 12 . GLN . 17381 1 13 . GLU . 17381 1 14 . PRO . 17381 1 15 . LYS . 17381 1 16 . LYS . 17381 1 17 . ASP . 17381 1 18 . TYR . 17381 1 19 . LEU . 17381 1 20 . VAL . 17381 1 21 . GLY . 17381 1 22 . ASP . 17381 1 23 . SER . 17381 1 24 . LEU . 17381 1 25 . ASP . 17381 1 26 . LEU . 17381 1 27 . SER . 17381 1 28 . GLU . 17381 1 29 . GLY . 17381 1 30 . ARG . 17381 1 31 . PHE . 17381 1 32 . ALA . 17381 1 33 . VAL . 17381 1 34 . ALA . 17381 1 35 . TYR . 17381 1 36 . SER . 17381 1 37 . ASN . 17381 1 38 . ASP . 17381 1 39 . THR . 17381 1 40 . MET . 17381 1 41 . GLU . 17381 1 42 . GLU . 17381 1 43 . HIS . 17381 1 44 . SER . 17381 1 45 . PHE . 17381 1 46 . THR . 17381 1 47 . ASP . 17381 1 48 . GLU . 17381 1 49 . GLY . 17381 1 50 . VAL . 17381 1 51 . GLU . 17381 1 52 . ILE . 17381 1 53 . SER . 17381 1 54 . GLY . 17381 1 55 . TYR . 17381 1 56 . ASP . 17381 1 57 . ALA . 17381 1 58 . GLN . 17381 1 59 . LYS . 17381 1 60 . THR . 17381 1 61 . GLY . 17381 1 62 . ARG . 17381 1 63 . GLN . 17381 1 64 . THR . 17381 1 65 . LEU . 17381 1 66 . THR . 17381 1 67 . LEU . 17381 1 68 . HIS . 17381 1 69 . TYR . 17381 1 70 . GLN . 17381 1 71 . GLY . 17381 1 72 . HIS . 17381 1 73 . GLU . 17381 1 74 . VAL . 17381 1 75 . SER . 17381 1 76 . PHE . 17381 1 77 . ASP . 17381 1 78 . VAL . 17381 1 79 . LEU . 17381 1 80 . VAL . 17381 1 81 . SER . 17381 1 82 . PRO . 17381 1 83 . LYS . 17381 1 84 . ALA . 17381 1 85 . ALA . 17381 1 86 . LEU . 17381 1 87 . ASN . 17381 1 88 . ASP . 17381 1 89 . GLU . 17381 1 90 . LEU . 17381 1 91 . GLU . 17381 1 92 . HIS . 17381 1 93 . HIS . 17381 1 94 . HIS . 17381 1 95 . HIS . 17381 1 96 . HIS . 17381 1 97 . HIS . 17381 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 . SER 1 1 17381 1 . PRO 2 2 17381 1 . LYS 3 3 17381 1 . THR 4 4 17381 1 . ILE 5 5 17381 1 . LEU 6 6 17381 1 . GLY 7 7 17381 1 . ILE 8 8 17381 1 . GLU 9 9 17381 1 . VAL 10 10 17381 1 . SER 11 11 17381 1 . GLN 12 12 17381 1 . GLU 13 13 17381 1 . PRO 14 14 17381 1 . LYS 15 15 17381 1 . LYS 16 16 17381 1 . ASP 17 17 17381 1 . TYR 18 18 17381 1 . LEU 19 19 17381 1 . VAL 20 20 17381 1 . GLY 21 21 17381 1 . ASP 22 22 17381 1 . SER 23 23 17381 1 . LEU 24 24 17381 1 . ASP 25 25 17381 1 . LEU 26 26 17381 1 . SER 27 27 17381 1 . GLU 28 28 17381 1 . GLY 29 29 17381 1 . ARG 30 30 17381 1 . PHE 31 31 17381 1 . ALA 32 32 17381 1 . VAL 33 33 17381 1 . ALA 34 34 17381 1 . TYR 35 35 17381 1 . SER 36 36 17381 1 . ASN 37 37 17381 1 . ASP 38 38 17381 1 . THR 39 39 17381 1 . MET 40 40 17381 1 . GLU 41 41 17381 1 . GLU 42 42 17381 1 . HIS 43 43 17381 1 . SER 44 44 17381 1 . PHE 45 45 17381 1 . THR 46 46 17381 1 . ASP 47 47 17381 1 . GLU 48 48 17381 1 . GLY 49 49 17381 1 . VAL 50 50 17381 1 . GLU 51 51 17381 1 . ILE 52 52 17381 1 . SER 53 53 17381 1 . GLY 54 54 17381 1 . TYR 55 55 17381 1 . ASP 56 56 17381 1 . ALA 57 57 17381 1 . GLN 58 58 17381 1 . LYS 59 59 17381 1 . THR 60 60 17381 1 . GLY 61 61 17381 1 . ARG 62 62 17381 1 . GLN 63 63 17381 1 . THR 64 64 17381 1 . LEU 65 65 17381 1 . THR 66 66 17381 1 . LEU 67 67 17381 1 . HIS 68 68 17381 1 . TYR 69 69 17381 1 . GLN 70 70 17381 1 . GLY 71 71 17381 1 . HIS 72 72 17381 1 . GLU 73 73 17381 1 . VAL 74 74 17381 1 . SER 75 75 17381 1 . PHE 76 76 17381 1 . ASP 77 77 17381 1 . VAL 78 78 17381 1 . LEU 79 79 17381 1 . VAL 80 80 17381 1 . SER 81 81 17381 1 . PRO 82 82 17381 1 . LYS 83 83 17381 1 . ALA 84 84 17381 1 . ALA 85 85 17381 1 . LEU 86 86 17381 1 . ASN 87 87 17381 1 . ASP 88 88 17381 1 . GLU 89 89 17381 1 . LEU 90 90 17381 1 . GLU 91 91 17381 1 . HIS 92 92 17381 1 . HIS 93 93 17381 1 . HIS 94 94 17381 1 . HIS 95 95 17381 1 . HIS 96 96 17381 1 . HIS 97 97 17381 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 17381 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $putative_surface_protein . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . . . . . . . . . 17381 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 17381 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $putative_surface_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-22(b+) . . . . . . 17381 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17381 _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 'putative surface protein' '[U-99% 13C; U-99% 15N]' . . 1 $putative_surface_protein . . 0.7 . . mM . . . . 17381 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17381 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17381 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 17381 _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 17381 1 pH 6.5 . pH 17381 1 pressure 1 . atm 17381 1 temperature 293 . K 17381 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17381 _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 . . 17381 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17381 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 17381 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17381 _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 . 500 . . . 17381 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 17381 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17381 1 2 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17381 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17381 1 4 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17381 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17381 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17381 1 7 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17381 1 8 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17381 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17381 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17381 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17381 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17381 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17381 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 17381 _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' . . . 17381 1 2 '3D 1H-13C NOESY' . . . 17381 1 3 '3D CBCA(CO)NH' . . . 17381 1 4 '3D C(CO)NH' . . . 17381 1 5 '3D HNCACB' . . . 17381 1 6 '3D HBHA(CO)NH' . . . 17381 1 7 '3D H(CCO)NH' . . . 17381 1 8 '3D 1H-15N NOESY' . . . 17381 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 PRO HA H 1 4.426 0.000 . 1 . . . . 2 P HA . 17381 1 2 . 1 1 2 2 PRO HB2 H 1 2.260 0.009 . 2 . . . . 2 P HB2 . 17381 1 3 . 1 1 2 2 PRO HB3 H 1 1.833 0.024 . 2 . . . . 2 P HB3 . 17381 1 4 . 1 1 2 2 PRO HG2 H 1 1.940 0.016 . 2 . . . . 2 P HG . 17381 1 5 . 1 1 2 2 PRO HG3 H 1 1.940 0.016 . 2 . . . . 2 P HG . 17381 1 6 . 1 1 2 2 PRO CA C 13 63.053 0.161 . 1 . . . . 2 P CA . 17381 1 7 . 1 1 2 2 PRO CB C 13 32.185 0.088 . 1 . . . . 2 P CB . 17381 1 8 . 1 1 2 2 PRO CG C 13 27.787 0.000 . 1 . . . . 2 P CG . 17381 1 9 . 1 1 2 2 PRO CD C 13 50.559 0.000 . 1 . . . . 2 P CD . 17381 1 10 . 1 1 3 3 LYS H H 1 8.460 0.005 . 1 . . . . 3 K NH . 17381 1 11 . 1 1 3 3 LYS HA H 1 4.208 0.004 . 1 . . . . 3 K HA . 17381 1 12 . 1 1 3 3 LYS HB2 H 1 1.616 0.015 . 2 . . . . 3 K HB . 17381 1 13 . 1 1 3 3 LYS HB3 H 1 1.616 0.015 . 2 . . . . 3 K HB . 17381 1 14 . 1 1 3 3 LYS HG2 H 1 1.101 0.007 . 2 . . . . 3 K HG2 . 17381 1 15 . 1 1 3 3 LYS HG3 H 1 1.010 0.019 . 2 . . . . 3 K HG3 . 17381 1 16 . 1 1 3 3 LYS HD2 H 1 1.873 0.005 . 2 . . . . 3 K HD . 17381 1 17 . 1 1 3 3 LYS HD3 H 1 1.873 0.005 . 2 . . . . 3 K HD . 17381 1 18 . 1 1 3 3 LYS CA C 13 56.095 0.078 . 1 . . . . 3 K CA . 17381 1 19 . 1 1 3 3 LYS CB C 13 33.225 0.202 . 1 . . . . 3 K CB . 17381 1 20 . 1 1 3 3 LYS CG C 13 24.377 0.000 . 1 . . . . 3 K CG . 17381 1 21 . 1 1 3 3 LYS CD C 13 29.404 0.000 . 1 . . . . 3 K CD . 17381 1 22 . 1 1 3 3 LYS N N 15 122.412 0.126 . 1 . . . . 3 K N . 17381 1 23 . 1 1 4 4 THR H H 1 8.910 0.019 . 1 . . . . 4 T NH . 17381 1 24 . 1 1 4 4 THR HA H 1 4.712 0.007 . 1 . . . . 4 T HA . 17381 1 25 . 1 1 4 4 THR HB H 1 4.177 0.006 . 1 . . . . 4 T HB . 17381 1 26 . 1 1 4 4 THR HG21 H 1 1.172 0.010 . 1 . . . . 4 T HG . 17381 1 27 . 1 1 4 4 THR HG22 H 1 1.172 0.010 . 1 . . . . 4 T HG . 17381 1 28 . 1 1 4 4 THR HG23 H 1 1.172 0.010 . 1 . . . . 4 T HG . 17381 1 29 . 1 1 4 4 THR CA C 13 60.400 0.104 . 1 . . . . 4 T CA . 17381 1 30 . 1 1 4 4 THR CB C 13 71.286 0.034 . 1 . . . . 4 T CB . 17381 1 31 . 1 1 4 4 THR CG2 C 13 21.825 0.000 . 1 . . . . 4 T CG . 17381 1 32 . 1 1 4 4 THR N N 15 117.267 0.030 . 1 . . . . 4 T N . 17381 1 33 . 1 1 5 5 ILE H H 1 8.763 0.005 . 1 . . . . 5 I NH . 17381 1 34 . 1 1 5 5 ILE HA H 1 3.759 0.009 . 1 . . . . 5 I HA . 17381 1 35 . 1 1 5 5 ILE HB H 1 1.352 0.019 . 1 . . . . 5 I HB . 17381 1 36 . 1 1 5 5 ILE HG21 H 1 0.052 0.004 . 4 . . . . 5 I HG2 . 17381 1 37 . 1 1 5 5 ILE HG22 H 1 0.052 0.004 . 4 . . . . 5 I HG2 . 17381 1 38 . 1 1 5 5 ILE HG23 H 1 0.052 0.004 . 4 . . . . 5 I HG2 . 17381 1 39 . 1 1 5 5 ILE CA C 13 62.707 0.076 . 1 . . . . 5 I CA . 17381 1 40 . 1 1 5 5 ILE CB C 13 39.064 0.144 . 1 . . . . 5 I CB . 17381 1 41 . 1 1 5 5 ILE CG1 C 13 28.882 0.000 . 1 . . . . 5 I CG1 . 17381 1 42 . 1 1 5 5 ILE CG2 C 13 16.147 0.000 . 1 . . . . 5 I CG2 . 17381 1 43 . 1 1 5 5 ILE CD1 C 13 14.168 0.000 . 1 . . . . 5 I CD . 17381 1 44 . 1 1 5 5 ILE N N 15 124.469 0.031 . 1 . . . . 5 I N . 17381 1 45 . 1 1 6 6 LEU H H 1 9.308 0.007 . 1 . . . . 6 L NH . 17381 1 46 . 1 1 6 6 LEU HA H 1 4.356 0.008 . 1 . . . . 6 L HA . 17381 1 47 . 1 1 6 6 LEU HB2 H 1 1.429 0.012 . 2 . . . . 6 L HB . 17381 1 48 . 1 1 6 6 LEU HB3 H 1 1.429 0.012 . 2 . . . . 6 L HB . 17381 1 49 . 1 1 6 6 LEU HD11 H 1 0.787 0.015 . 2 . . . . 6 L HD . 17381 1 50 . 1 1 6 6 LEU HD12 H 1 0.787 0.015 . 2 . . . . 6 L HD . 17381 1 51 . 1 1 6 6 LEU HD13 H 1 0.787 0.015 . 2 . . . . 6 L HD . 17381 1 52 . 1 1 6 6 LEU HD21 H 1 0.787 0.015 . 2 . . . . 6 L HD . 17381 1 53 . 1 1 6 6 LEU HD22 H 1 0.787 0.015 . 2 . . . . 6 L HD . 17381 1 54 . 1 1 6 6 LEU HD23 H 1 0.787 0.015 . 2 . . . . 6 L HD . 17381 1 55 . 1 1 6 6 LEU CA C 13 55.221 0.079 . 1 . . . . 6 L CA . 17381 1 56 . 1 1 6 6 LEU CB C 13 42.775 0.087 . 1 . . . . 6 L CB . 17381 1 57 . 1 1 6 6 LEU CG C 13 26.350 0.000 . 1 . . . . 6 L CG . 17381 1 58 . 1 1 6 6 LEU CD1 C 13 22.707 0.000 . 2 . . . . 6 L CD . 17381 1 59 . 1 1 6 6 LEU CD2 C 13 22.707 0.000 . 2 . . . . 6 L CD . 17381 1 60 . 1 1 6 6 LEU N N 15 127.416 0.081 . 1 . . . . 6 L N . 17381 1 61 . 1 1 7 7 GLY H H 1 7.136 0.007 . 1 . . . . 7 G NH . 17381 1 62 . 1 1 7 7 GLY HA2 H 1 4.115 0.007 . 2 . . . . 7 G HA2 . 17381 1 63 . 1 1 7 7 GLY HA3 H 1 3.831 0.013 . 2 . . . . 7 G HA3 . 17381 1 64 . 1 1 7 7 GLY CA C 13 44.877 0.251 . 1 . . . . 7 G CA . 17381 1 65 . 1 1 7 7 GLY N N 15 105.743 0.024 . 1 . . . . 7 G N . 17381 1 66 . 1 1 8 8 ILE H H 1 8.321 0.006 . 1 . . . . 8 I NH . 17381 1 67 . 1 1 8 8 ILE HA H 1 5.444 0.004 . 1 . . . . 8 I HA . 17381 1 68 . 1 1 8 8 ILE HB H 1 0.388 0.011 . 1 . . . . 8 I HB . 17381 1 69 . 1 1 8 8 ILE HG21 H 1 1.211 0.014 . 4 . . . . 8 I HG2 . 17381 1 70 . 1 1 8 8 ILE HG22 H 1 1.211 0.014 . 4 . . . . 8 I HG2 . 17381 1 71 . 1 1 8 8 ILE HG23 H 1 1.211 0.014 . 4 . . . . 8 I HG2 . 17381 1 72 . 1 1 8 8 ILE CA C 13 59.305 0.140 . 1 . . . . 8 I CA . 17381 1 73 . 1 1 8 8 ILE CB C 13 42.148 0.008 . 1 . . . . 8 I CB . 17381 1 74 . 1 1 8 8 ILE CG2 C 13 18.777 0.000 . 1 . . . . 8 I CG2 . 17381 1 75 . 1 1 8 8 ILE CD1 C 13 15.062 0.000 . 1 . . . . 8 I CD . 17381 1 76 . 1 1 8 8 ILE N N 15 113.109 0.035 . 1 . . . . 8 I N . 17381 1 77 . 1 1 9 9 GLU H H 1 8.490 0.007 . 1 . . . . 9 E NH . 17381 1 78 . 1 1 9 9 GLU HA H 1 4.767 0.006 . 1 . . . . 9 E HA . 17381 1 79 . 1 1 9 9 GLU HB2 H 1 1.927 0.012 . 2 . . . . 9 E HB . 17381 1 80 . 1 1 9 9 GLU HB3 H 1 1.927 0.012 . 2 . . . . 9 E HB . 17381 1 81 . 1 1 9 9 GLU HG2 H 1 2.158 0.019 . 2 . . . . 9 E HG . 17381 1 82 . 1 1 9 9 GLU HG3 H 1 2.158 0.019 . 2 . . . . 9 E HG . 17381 1 83 . 1 1 9 9 GLU CA C 13 54.474 0.122 . 1 . . . . 9 E CA . 17381 1 84 . 1 1 9 9 GLU CB C 13 33.785 0.014 . 1 . . . . 9 E CB . 17381 1 85 . 1 1 9 9 GLU CG C 13 35.817 0.081 . 1 . . . . 9 E CG . 17381 1 86 . 1 1 9 9 GLU N N 15 119.502 0.037 . 1 . . . . 9 E N . 17381 1 87 . 1 1 10 10 VAL H H 1 9.321 0.004 . 1 . . . . 10 V NH . 17381 1 88 . 1 1 10 10 VAL HA H 1 3.969 0.007 . 1 . . . . 10 V HA . 17381 1 89 . 1 1 10 10 VAL HB H 1 2.171 0.005 . 1 . . . . 10 V HB . 17381 1 90 . 1 1 10 10 VAL HG11 H 1 0.986 0.015 . 2 . . . . 10 V HG . 17381 1 91 . 1 1 10 10 VAL HG12 H 1 0.986 0.015 . 2 . . . . 10 V HG . 17381 1 92 . 1 1 10 10 VAL HG13 H 1 0.986 0.015 . 2 . . . . 10 V HG . 17381 1 93 . 1 1 10 10 VAL HG21 H 1 0.986 0.015 . 2 . . . . 10 V HG . 17381 1 94 . 1 1 10 10 VAL HG22 H 1 0.986 0.015 . 2 . . . . 10 V HG . 17381 1 95 . 1 1 10 10 VAL HG23 H 1 0.986 0.015 . 2 . . . . 10 V HG . 17381 1 96 . 1 1 10 10 VAL CA C 13 65.188 0.142 . 1 . . . . 10 V CA . 17381 1 97 . 1 1 10 10 VAL CB C 13 31.372 0.151 . 1 . . . . 10 V CB . 17381 1 98 . 1 1 10 10 VAL CG1 C 13 23.105 0.000 . 2 . . . . 10 V CG1 . 17381 1 99 . 1 1 10 10 VAL N N 15 125.392 0.075 . 1 . . . . 10 V N . 17381 1 100 . 1 1 11 11 SER H H 1 8.998 0.008 . 1 . . . . 11 S NH . 17381 1 101 . 1 1 11 11 SER HA H 1 4.592 0.004 . 1 . . . . 11 S HA . 17381 1 102 . 1 1 11 11 SER HB2 H 1 3.814 0.002 . 2 . . . . 11 S HB2 . 17381 1 103 . 1 1 11 11 SER HB3 H 1 3.523 0.005 . 2 . . . . 11 S HB3 . 17381 1 104 . 1 1 11 11 SER CA C 13 58.350 0.179 . 1 . . . . 11 S CA . 17381 1 105 . 1 1 11 11 SER CB C 13 64.580 0.259 . 1 . . . . 11 S CB . 17381 1 106 . 1 1 11 11 SER N N 15 125.798 0.092 . 1 . . . . 11 S N . 17381 1 107 . 1 1 12 12 GLN H H 1 7.751 0.008 . 1 . . . . 12 Q NH . 17381 1 108 . 1 1 12 12 GLN HA H 1 4.359 0.005 . 1 . . . . 12 Q HA . 17381 1 109 . 1 1 12 12 GLN HB2 H 1 1.806 0.022 . 2 . . . . 12 Q HB . 17381 1 110 . 1 1 12 12 GLN HB3 H 1 1.806 0.022 . 2 . . . . 12 Q HB . 17381 1 111 . 1 1 12 12 GLN HG2 H 1 2.285 0.002 . 2 . . . . 12 Q HG2 . 17381 1 112 . 1 1 12 12 GLN HG3 H 1 2.104 0.013 . 2 . . . . 12 Q HG3 . 17381 1 113 . 1 1 12 12 GLN CA C 13 55.787 0.260 . 1 . . . . 12 Q CA . 17381 1 114 . 1 1 12 12 GLN CB C 13 31.617 0.068 . 1 . . . . 12 Q CB . 17381 1 115 . 1 1 12 12 GLN CG C 13 34.324 0.000 . 1 . . . . 12 Q CG . 17381 1 116 . 1 1 12 12 GLN N N 15 123.552 0.027 . 1 . . . . 12 Q N . 17381 1 117 . 1 1 13 13 GLU H H 1 8.804 0.006 . 1 . . . . 13 E NH . 17381 1 118 . 1 1 13 13 GLU CB C 13 28.890 0.000 . 1 . . . . 13 E CB . 17381 1 119 . 1 1 13 13 GLU N N 15 126.494 0.114 . 1 . . . . 13 E N . 17381 1 120 . 1 1 14 14 PRO HA H 1 4.109 0.005 . 1 . . . . 14 P HA . 17381 1 121 . 1 1 14 14 PRO HB2 H 1 1.196 0.010 . 2 . . . . 14 P HB . 17381 1 122 . 1 1 14 14 PRO HB3 H 1 1.196 0.010 . 2 . . . . 14 P HB . 17381 1 123 . 1 1 14 14 PRO HG2 H 1 1.475 0.000 . 2 . . . . 14 P HG . 17381 1 124 . 1 1 14 14 PRO HG3 H 1 1.475 0.000 . 2 . . . . 14 P HG . 17381 1 125 . 1 1 14 14 PRO HD2 H 1 2.180 0.010 . 2 . . . . 14 P HD . 17381 1 126 . 1 1 14 14 PRO HD3 H 1 2.180 0.010 . 2 . . . . 14 P HD . 17381 1 127 . 1 1 14 14 PRO CA C 13 60.956 0.112 . 1 . . . . 14 P CA . 17381 1 128 . 1 1 14 14 PRO CB C 13 32.958 0.183 . 1 . . . . 14 P CB . 17381 1 129 . 1 1 14 14 PRO CG C 13 26.129 0.000 . 1 . . . . 14 P CG . 17381 1 130 . 1 1 15 15 LYS H H 1 7.875 0.006 . 1 . . . . 15 K NH . 17381 1 131 . 1 1 15 15 LYS HA H 1 3.874 0.004 . 1 . . . . 15 K HA . 17381 1 132 . 1 1 15 15 LYS HB2 H 1 2.061 0.012 . 2 . . . . 15 K HB2 . 17381 1 133 . 1 1 15 15 LYS HB3 H 1 1.741 0.016 . 2 . . . . 15 K HB3 . 17381 1 134 . 1 1 15 15 LYS HG2 H 1 0.602 0.015 . 2 . . . . 15 K HG . 17381 1 135 . 1 1 15 15 LYS HG3 H 1 0.602 0.015 . 2 . . . . 15 K HG . 17381 1 136 . 1 1 15 15 LYS CA C 13 58.765 0.047 . 1 . . . . 15 K CA . 17381 1 137 . 1 1 15 15 LYS CB C 13 32.411 0.153 . 1 . . . . 15 K CB . 17381 1 138 . 1 1 15 15 LYS CG C 13 25.340 0.000 . 1 . . . . 15 K CG . 17381 1 139 . 1 1 15 15 LYS N N 15 120.326 0.061 . 1 . . . . 15 K N . 17381 1 140 . 1 1 16 16 LYS H H 1 8.493 0.006 . 1 . . . . 16 K NH . 17381 1 141 . 1 1 16 16 LYS HA H 1 4.849 0.015 . 1 . . . . 16 K HA . 17381 1 142 . 1 1 16 16 LYS HB2 H 1 1.985 0.019 . 2 . . . . 16 K HB . 17381 1 143 . 1 1 16 16 LYS HB3 H 1 1.985 0.019 . 2 . . . . 16 K HB . 17381 1 144 . 1 1 16 16 LYS HG2 H 1 1.599 0.010 . 2 . . . . 16 K HG . 17381 1 145 . 1 1 16 16 LYS HG3 H 1 1.599 0.010 . 2 . . . . 16 K HG . 17381 1 146 . 1 1 16 16 LYS HD2 H 1 1.727 0.000 . 2 . . . . 16 K HD . 17381 1 147 . 1 1 16 16 LYS HD3 H 1 1.727 0.000 . 2 . . . . 16 K HD . 17381 1 148 . 1 1 16 16 LYS HE2 H 1 3.003 0.018 . 2 . . . . 16 K HE . 17381 1 149 . 1 1 16 16 LYS HE3 H 1 3.003 0.018 . 2 . . . . 16 K HE . 17381 1 150 . 1 1 16 16 LYS CA C 13 56.392 0.081 . 1 . . . . 16 K CA . 17381 1 151 . 1 1 16 16 LYS CB C 13 34.892 0.142 . 1 . . . . 16 K CB . 17381 1 152 . 1 1 16 16 LYS CG C 13 24.075 0.000 . 1 . . . . 16 K CG . 17381 1 153 . 1 1 16 16 LYS CD C 13 29.746 0.000 . 1 . . . . 16 K CD . 17381 1 154 . 1 1 16 16 LYS CE C 13 42.369 0.000 . 1 . . . . 16 K CE . 17381 1 155 . 1 1 16 16 LYS N N 15 124.935 0.047 . 1 . . . . 16 K N . 17381 1 156 . 1 1 17 17 ASP H H 1 7.211 0.006 . 1 . . . . 17 D NH . 17381 1 157 . 1 1 17 17 ASP HA H 1 5.212 0.008 . 1 . . . . 17 D HA . 17381 1 158 . 1 1 17 17 ASP HB2 H 1 2.340 0.026 . 2 . . . . 17 D HB2 . 17381 1 159 . 1 1 17 17 ASP CA C 13 53.570 0.000 . 1 . . . . 17 D CA . 17381 1 160 . 1 1 17 17 ASP CB C 13 42.435 0.053 . 1 . . . . 17 D CB . 17381 1 161 . 1 1 17 17 ASP N N 15 119.940 0.029 . 1 . . . . 17 D N . 17381 1 162 . 1 1 18 18 TYR H H 1 8.796 0.006 . 1 . . . . 18 Y NH . 17381 1 163 . 1 1 18 18 TYR HA H 1 4.618 0.011 . 1 . . . . 18 Y HA . 17381 1 164 . 1 1 18 18 TYR HB2 H 1 3.341 0.012 . 2 . . . . 18 Y HB2 . 17381 1 165 . 1 1 18 18 TYR HB3 H 1 2.670 0.015 . 2 . . . . 18 Y HB3 . 17381 1 166 . 1 1 18 18 TYR CA C 13 58.053 0.057 . 1 . . . . 18 Y CA . 17381 1 167 . 1 1 18 18 TYR CB C 13 43.339 0.169 . 1 . . . . 18 Y CB . 17381 1 168 . 1 1 18 18 TYR N N 15 121.043 0.169 . 1 . . . . 18 Y N . 17381 1 169 . 1 1 19 19 LEU H H 1 9.153 0.006 . 1 . . . . 19 L NH . 17381 1 170 . 1 1 19 19 LEU HA H 1 5.247 0.016 . 1 . . . . 19 L HA . 17381 1 171 . 1 1 19 19 LEU HB2 H 1 1.776 0.034 . 2 . . . . 19 L HB2 . 17381 1 172 . 1 1 19 19 LEU HB3 H 1 1.271 0.008 . 2 . . . . 19 L HB3 . 17381 1 173 . 1 1 19 19 LEU HD11 H 1 0.905 0.012 . 2 . . . . 19 L HD1 . 17381 1 174 . 1 1 19 19 LEU HD12 H 1 0.905 0.012 . 2 . . . . 19 L HD1 . 17381 1 175 . 1 1 19 19 LEU HD13 H 1 0.905 0.012 . 2 . . . . 19 L HD1 . 17381 1 176 . 1 1 19 19 LEU HD21 H 1 0.792 0.011 . 2 . . . . 19 L HD2 . 17381 1 177 . 1 1 19 19 LEU HD22 H 1 0.792 0.011 . 2 . . . . 19 L HD2 . 17381 1 178 . 1 1 19 19 LEU HD23 H 1 0.792 0.011 . 2 . . . . 19 L HD2 . 17381 1 179 . 1 1 19 19 LEU CA C 13 52.699 0.116 . 1 . . . . 19 L CA . 17381 1 180 . 1 1 19 19 LEU CB C 13 44.091 0.066 . 1 . . . . 19 L CB . 17381 1 181 . 1 1 19 19 LEU CG C 13 27.558 0.000 . 1 . . . . 19 L CG . 17381 1 182 . 1 1 19 19 LEU CD1 C 13 25.802 0.000 . 2 . . . . 19 L CD1 . 17381 1 183 . 1 1 19 19 LEU N N 15 124.290 0.068 . 1 . . . . 19 L N . 17381 1 184 . 1 1 20 20 VAL H H 1 7.625 0.008 . 1 . . . . 20 V NH . 17381 1 185 . 1 1 20 20 VAL HA H 1 3.641 0.019 . 1 . . . . 20 V HA . 17381 1 186 . 1 1 20 20 VAL HB H 1 1.711 0.009 . 1 . . . . 20 V HB . 17381 1 187 . 1 1 20 20 VAL HG11 H 1 0.836 0.013 . 2 . . . . 20 V HG . 17381 1 188 . 1 1 20 20 VAL HG12 H 1 0.836 0.013 . 2 . . . . 20 V HG . 17381 1 189 . 1 1 20 20 VAL HG13 H 1 0.836 0.013 . 2 . . . . 20 V HG . 17381 1 190 . 1 1 20 20 VAL HG21 H 1 0.836 0.013 . 2 . . . . 20 V HG . 17381 1 191 . 1 1 20 20 VAL HG22 H 1 0.836 0.013 . 2 . . . . 20 V HG . 17381 1 192 . 1 1 20 20 VAL HG23 H 1 0.836 0.013 . 2 . . . . 20 V HG . 17381 1 193 . 1 1 20 20 VAL CA C 13 63.874 0.147 . 1 . . . . 20 V CA . 17381 1 194 . 1 1 20 20 VAL CB C 13 32.187 0.221 . 1 . . . . 20 V CB . 17381 1 195 . 1 1 20 20 VAL CG1 C 13 21.280 0.000 . 2 . . . . 20 V CG1 . 17381 1 196 . 1 1 20 20 VAL CG2 C 13 23.570 0.000 . 2 . . . . 20 V CG2 . 17381 1 197 . 1 1 20 20 VAL N N 15 119.067 0.026 . 1 . . . . 20 V N . 17381 1 198 . 1 1 21 21 GLY H H 1 8.905 0.006 . 1 . . . . 21 G NH . 17381 1 199 . 1 1 21 21 GLY HA2 H 1 4.327 0.005 . 2 . . . . 21 G HA2 . 17381 1 200 . 1 1 21 21 GLY HA3 H 1 3.295 0.009 . 2 . . . . 21 G HA3 . 17381 1 201 . 1 1 21 21 GLY CA C 13 44.467 0.055 . 1 . . . . 21 G CA . 17381 1 202 . 1 1 21 21 GLY N N 15 115.330 0.051 . 1 . . . . 21 G N . 17381 1 203 . 1 1 22 22 ASP H H 1 8.814 0.005 . 1 . . . . 22 D NH . 17381 1 204 . 1 1 22 22 ASP HA H 1 4.609 0.011 . 1 . . . . 22 D HA . 17381 1 205 . 1 1 22 22 ASP HB2 H 1 3.183 0.007 . 2 . . . . 22 D HB2 . 17381 1 206 . 1 1 22 22 ASP HB3 H 1 2.973 0.008 . 2 . . . . 22 D HB3 . 17381 1 207 . 1 1 22 22 ASP CA C 13 55.337 0.063 . 1 . . . . 22 D CA . 17381 1 208 . 1 1 22 22 ASP CB C 13 41.916 0.095 . 1 . . . . 22 D CB . 17381 1 209 . 1 1 22 22 ASP N N 15 124.099 0.031 . 1 . . . . 22 D N . 17381 1 210 . 1 1 23 23 SER H H 1 8.578 0.009 . 1 . . . . 23 S NH . 17381 1 211 . 1 1 23 23 SER HA H 1 4.592 0.006 . 1 . . . . 23 S HA . 17381 1 212 . 1 1 23 23 SER HB2 H 1 3.910 0.017 . 2 . . . . 23 S HB2 . 17381 1 213 . 1 1 23 23 SER HB3 H 1 3.787 0.005 . 2 . . . . 23 S HB3 . 17381 1 214 . 1 1 23 23 SER CA C 13 57.629 0.052 . 1 . . . . 23 S CA . 17381 1 215 . 1 1 23 23 SER CB C 13 63.960 0.167 . 1 . . . . 23 S CB . 17381 1 216 . 1 1 23 23 SER N N 15 116.410 0.030 . 1 . . . . 23 S N . 17381 1 217 . 1 1 24 24 LEU H H 1 8.228 0.004 . 1 . . . . 24 L NH . 17381 1 218 . 1 1 24 24 LEU HA H 1 4.255 0.009 . 1 . . . . 24 L HA . 17381 1 219 . 1 1 24 24 LEU HB2 H 1 1.573 0.027 . 2 . . . . 24 L HB . 17381 1 220 . 1 1 24 24 LEU HB3 H 1 1.573 0.027 . 2 . . . . 24 L HB . 17381 1 221 . 1 1 24 24 LEU HG H 1 1.033 0.011 . 1 . . . . 24 L HG . 17381 1 222 . 1 1 24 24 LEU HD11 H 1 0.841 0.014 . 2 . . . . 24 L HD . 17381 1 223 . 1 1 24 24 LEU HD12 H 1 0.841 0.014 . 2 . . . . 24 L HD . 17381 1 224 . 1 1 24 24 LEU HD13 H 1 0.841 0.014 . 2 . . . . 24 L HD . 17381 1 225 . 1 1 24 24 LEU HD21 H 1 0.841 0.014 . 2 . . . . 24 L HD . 17381 1 226 . 1 1 24 24 LEU HD22 H 1 0.841 0.014 . 2 . . . . 24 L HD . 17381 1 227 . 1 1 24 24 LEU HD23 H 1 0.841 0.014 . 2 . . . . 24 L HD . 17381 1 228 . 1 1 24 24 LEU CA C 13 55.291 0.069 . 1 . . . . 24 L CA . 17381 1 229 . 1 1 24 24 LEU CB C 13 42.211 0.090 . 1 . . . . 24 L CB . 17381 1 230 . 1 1 24 24 LEU CG C 13 27.582 0.000 . 1 . . . . 24 L CG . 17381 1 231 . 1 1 24 24 LEU CD1 C 13 26.149 0.000 . 2 . . . . 24 L CD1 . 17381 1 232 . 1 1 24 24 LEU CD2 C 13 24.707 0.000 . 2 . . . . 24 L CD2 . 17381 1 233 . 1 1 24 24 LEU N N 15 121.276 0.029 . 1 . . . . 24 L N . 17381 1 234 . 1 1 25 25 ASP H H 1 8.441 0.011 . 1 . . . . 25 D NH . 17381 1 235 . 1 1 25 25 ASP HA H 1 4.577 0.008 . 1 . . . . 25 D HA . 17381 1 236 . 1 1 25 25 ASP HB2 H 1 2.729 0.016 . 2 . . . . 25 D HB . 17381 1 237 . 1 1 25 25 ASP HB3 H 1 2.729 0.016 . 2 . . . . 25 D HB . 17381 1 238 . 1 1 25 25 ASP CA C 13 53.549 0.111 . 1 . . . . 25 D CA . 17381 1 239 . 1 1 25 25 ASP CB C 13 38.818 0.078 . 1 . . . . 25 D CB . 17381 1 240 . 1 1 25 25 ASP N N 15 119.231 0.060 . 1 . . . . 25 D N . 17381 1 241 . 1 1 26 26 LEU H H 1 8.324 0.005 . 1 . . . . 26 L NH . 17381 1 242 . 1 1 26 26 LEU HA H 1 4.350 0.005 . 1 . . . . 26 L HA . 17381 1 243 . 1 1 26 26 LEU HB2 H 1 1.764 0.013 . 2 . . . . 26 L HB2 . 17381 1 244 . 1 1 26 26 LEU HB3 H 1 1.611 0.014 . 2 . . . . 26 L HB3 . 17381 1 245 . 1 1 26 26 LEU HG H 1 0.584 0.022 . 1 . . . . 26 L HG . 17381 1 246 . 1 1 26 26 LEU HD11 H 1 1.008 0.017 . 2 . . . . 26 L HD1 . 17381 1 247 . 1 1 26 26 LEU HD12 H 1 1.008 0.017 . 2 . . . . 26 L HD1 . 17381 1 248 . 1 1 26 26 LEU HD13 H 1 1.008 0.017 . 2 . . . . 26 L HD1 . 17381 1 249 . 1 1 26 26 LEU HD21 H 1 0.900 0.009 . 2 . . . . 26 L HD2 . 17381 1 250 . 1 1 26 26 LEU HD22 H 1 0.900 0.009 . 2 . . . . 26 L HD2 . 17381 1 251 . 1 1 26 26 LEU HD23 H 1 0.900 0.009 . 2 . . . . 26 L HD2 . 17381 1 252 . 1 1 26 26 LEU CA C 13 53.656 0.142 . 1 . . . . 26 L CA . 17381 1 253 . 1 1 26 26 LEU CB C 13 41.115 0.201 . 1 . . . . 26 L CB . 17381 1 254 . 1 1 26 26 LEU CG C 13 26.592 0.000 . 1 . . . . 26 L CG . 17381 1 255 . 1 1 26 26 LEU CD1 C 13 23.163 0.000 . 2 . . . . 26 L CD . 17381 1 256 . 1 1 26 26 LEU CD2 C 13 23.163 0.000 . 2 . . . . 26 L CD . 17381 1 257 . 1 1 26 26 LEU N N 15 121.168 0.046 . 1 . . . . 26 L N . 17381 1 258 . 1 1 27 27 SER H H 1 8.257 0.005 . 1 . . . . 27 S NH . 17381 1 259 . 1 1 27 27 SER HA H 1 3.929 0.020 . 1 . . . . 27 S HA . 17381 1 260 . 1 1 27 27 SER CB C 13 62.930 0.000 . 1 . . . . 27 S CB . 17381 1 261 . 1 1 27 27 SER N N 15 116.003 0.041 . 1 . . . . 27 S N . 17381 1 262 . 1 1 28 28 GLU H H 1 8.298 0.005 . 1 . . . . 28 E NH . 17381 1 263 . 1 1 28 28 GLU HA H 1 4.278 0.004 . 1 . . . . 28 E HA . 17381 1 264 . 1 1 28 28 GLU HB2 H 1 2.058 0.022 . 2 . . . . 28 E HB2 . 17381 1 265 . 1 1 28 28 GLU HB3 H 1 1.633 0.016 . 2 . . . . 28 E HB3 . 17381 1 266 . 1 1 28 28 GLU HG2 H 1 2.128 0.010 . 2 . . . . 28 E HG . 17381 1 267 . 1 1 28 28 GLU HG3 H 1 2.128 0.010 . 2 . . . . 28 E HG . 17381 1 268 . 1 1 28 28 GLU CA C 13 55.780 0.079 . 1 . . . . 28 E CA . 17381 1 269 . 1 1 28 28 GLU CB C 13 30.549 0.126 . 1 . . . . 28 E CB . 17381 1 270 . 1 1 28 28 GLU CG C 13 36.415 0.000 . 1 . . . . 28 E CG . 17381 1 271 . 1 1 28 28 GLU N N 15 120.215 0.095 . 1 . . . . 28 E N . 17381 1 272 . 1 1 29 29 GLY H H 1 7.658 0.005 . 1 . . . . 29 G NH . 17381 1 273 . 1 1 29 29 GLY HA2 H 1 3.267 0.012 . 2 . . . . 29 G HA2 . 17381 1 274 . 1 1 29 29 GLY HA3 H 1 1.743 0.011 . 2 . . . . 29 G HA3 . 17381 1 275 . 1 1 29 29 GLY CA C 13 44.378 0.130 . 1 . . . . 29 G CA . 17381 1 276 . 1 1 29 29 GLY N N 15 105.496 0.029 . 1 . . . . 29 G N . 17381 1 277 . 1 1 30 30 ARG H H 1 9.187 0.007 . 1 . . . . 30 R NH . 17381 1 278 . 1 1 30 30 ARG HA H 1 5.314 0.012 . 1 . . . . 30 R HA . 17381 1 279 . 1 1 30 30 ARG HB2 H 1 1.603 0.016 . 2 . . . . 30 R HB . 17381 1 280 . 1 1 30 30 ARG HB3 H 1 1.603 0.016 . 2 . . . . 30 R HB . 17381 1 281 . 1 1 30 30 ARG HG2 H 1 1.348 0.018 . 2 . . . . 30 R HG . 17381 1 282 . 1 1 30 30 ARG HG3 H 1 1.348 0.018 . 2 . . . . 30 R HG . 17381 1 283 . 1 1 30 30 ARG HD2 H 1 3.091 0.014 . 2 . . . . 30 R HD2 . 17381 1 284 . 1 1 30 30 ARG HD3 H 1 2.794 0.020 . 2 . . . . 30 R HD3 . 17381 1 285 . 1 1 30 30 ARG CA C 13 54.363 0.064 . 1 . . . . 30 R CA . 17381 1 286 . 1 1 30 30 ARG CB C 13 34.338 0.269 . 1 . . . . 30 R CB . 17381 1 287 . 1 1 30 30 ARG CG C 13 27.014 0.000 . 1 . . . . 30 R CG . 17381 1 288 . 1 1 30 30 ARG CD C 13 43.040 0.000 . 1 . . . . 30 R CD . 17381 1 289 . 1 1 30 30 ARG N N 15 126.357 0.040 . 1 . . . . 30 R N . 17381 1 290 . 1 1 31 31 PHE H H 1 9.074 0.008 . 1 . . . . 31 F NH . 17381 1 291 . 1 1 31 31 PHE HA H 1 5.475 0.007 . 1 . . . . 31 F HA . 17381 1 292 . 1 1 31 31 PHE HB2 H 1 2.900 0.010 . 2 . . . . 31 F HB2 . 17381 1 293 . 1 1 31 31 PHE HB3 H 1 2.596 0.010 . 2 . . . . 31 F HB3 . 17381 1 294 . 1 1 31 31 PHE CA C 13 55.395 0.122 . 1 . . . . 31 F CA . 17381 1 295 . 1 1 31 31 PHE CB C 13 41.670 0.092 . 1 . . . . 31 F CB . 17381 1 296 . 1 1 31 31 PHE N N 15 119.500 0.026 . 1 . . . . 31 F N . 17381 1 297 . 1 1 32 32 ALA H H 1 9.476 0.007 . 1 . . . . 32 A NH . 17381 1 298 . 1 1 32 32 ALA HA H 1 5.001 0.012 . 1 . . . . 32 A HA . 17381 1 299 . 1 1 32 32 ALA HB1 H 1 1.245 0.007 . 1 . . . . 32 A HB . 17381 1 300 . 1 1 32 32 ALA HB2 H 1 1.245 0.007 . 1 . . . . 32 A HB . 17381 1 301 . 1 1 32 32 ALA HB3 H 1 1.245 0.007 . 1 . . . . 32 A HB . 17381 1 302 . 1 1 32 32 ALA CA C 13 50.076 0.080 . 1 . . . . 32 A CA . 17381 1 303 . 1 1 32 32 ALA CB C 13 21.889 0.256 . 1 . . . . 32 A CB . 17381 1 304 . 1 1 32 32 ALA N N 15 123.554 0.039 . 1 . . . . 32 A N . 17381 1 305 . 1 1 33 33 VAL H H 1 9.010 0.004 . 1 . . . . 33 V NH . 17381 1 306 . 1 1 33 33 VAL HA H 1 4.282 0.006 . 1 . . . . 33 V HA . 17381 1 307 . 1 1 33 33 VAL HB H 1 1.997 0.017 . 1 . . . . 33 V HB . 17381 1 308 . 1 1 33 33 VAL HG11 H 1 0.893 0.012 . 2 . . . . 33 V HG1 . 17381 1 309 . 1 1 33 33 VAL HG12 H 1 0.893 0.012 . 2 . . . . 33 V HG1 . 17381 1 310 . 1 1 33 33 VAL HG13 H 1 0.893 0.012 . 2 . . . . 33 V HG1 . 17381 1 311 . 1 1 33 33 VAL HG21 H 1 0.381 0.006 . 2 . . . . 33 V HG2 . 17381 1 312 . 1 1 33 33 VAL HG22 H 1 0.381 0.006 . 2 . . . . 33 V HG2 . 17381 1 313 . 1 1 33 33 VAL HG23 H 1 0.381 0.006 . 2 . . . . 33 V HG2 . 17381 1 314 . 1 1 33 33 VAL CA C 13 61.007 0.119 . 1 . . . . 33 V CA . 17381 1 315 . 1 1 33 33 VAL CB C 13 33.214 0.250 . 1 . . . . 33 V CB . 17381 1 316 . 1 1 33 33 VAL CG1 C 13 22.639 0.000 . 2 . . . . 33 V CG1 . 17381 1 317 . 1 1 33 33 VAL N N 15 123.669 0.035 . 1 . . . . 33 V N . 17381 1 318 . 1 1 34 34 ALA H H 1 8.260 0.007 . 1 . . . . 34 A NH . 17381 1 319 . 1 1 34 34 ALA HA H 1 4.900 0.009 . 1 . . . . 34 A HA . 17381 1 320 . 1 1 34 34 ALA HB1 H 1 1.282 0.014 . 1 . . . . 34 A HB . 17381 1 321 . 1 1 34 34 ALA HB2 H 1 1.282 0.014 . 1 . . . . 34 A HB . 17381 1 322 . 1 1 34 34 ALA HB3 H 1 1.282 0.014 . 1 . . . . 34 A HB . 17381 1 323 . 1 1 34 34 ALA CA C 13 50.789 0.109 . 1 . . . . 34 A CA . 17381 1 324 . 1 1 34 34 ALA CB C 13 20.298 0.267 . 1 . . . . 34 A CB . 17381 1 325 . 1 1 34 34 ALA N N 15 129.295 0.021 . 1 . . . . 34 A N . 17381 1 326 . 1 1 35 35 TYR H H 1 8.775 0.004 . 1 . . . . 35 Y NH . 17381 1 327 . 1 1 35 35 TYR HA H 1 5.424 0.009 . 1 . . . . 35 Y HA . 17381 1 328 . 1 1 35 35 TYR HB2 H 1 3.111 0.013 . 2 . . . . 35 Y HB2 . 17381 1 329 . 1 1 35 35 TYR HB3 H 1 2.860 0.009 . 2 . . . . 35 Y HB3 . 17381 1 330 . 1 1 35 35 TYR CA C 13 57.622 0.056 . 1 . . . . 35 Y CA . 17381 1 331 . 1 1 35 35 TYR CB C 13 42.266 0.098 . 1 . . . . 35 Y CB . 17381 1 332 . 1 1 35 35 TYR N N 15 120.004 0.077 . 1 . . . . 35 Y N . 17381 1 333 . 1 1 36 36 SER H H 1 9.393 0.005 . 1 . . . . 36 S NH . 17381 1 334 . 1 1 36 36 SER HA H 1 4.191 0.011 . 1 . . . . 36 S HA . 17381 1 335 . 1 1 36 36 SER HB2 H 1 3.845 0.016 . 2 . . . . 36 S HB . 17381 1 336 . 1 1 36 36 SER HB3 H 1 3.845 0.016 . 2 . . . . 36 S HB . 17381 1 337 . 1 1 36 36 SER CA C 13 60.453 0.067 . 1 . . . . 36 S CA . 17381 1 338 . 1 1 36 36 SER CB C 13 62.995 0.034 . 1 . . . . 36 S CB . 17381 1 339 . 1 1 36 36 SER N N 15 115.138 0.032 . 1 . . . . 36 S N . 17381 1 340 . 1 1 37 37 ASN H H 1 7.731 0.004 . 1 . . . . 37 N NH . 17381 1 341 . 1 1 37 37 ASN HA H 1 4.873 0.009 . 1 . . . . 37 N HA . 17381 1 342 . 1 1 37 37 ASN HB2 H 1 3.189 0.012 . 2 . . . . 37 N HB2 . 17381 1 343 . 1 1 37 37 ASN HB3 H 1 2.604 0.006 . 2 . . . . 37 N HB3 . 17381 1 344 . 1 1 37 37 ASN CA C 13 51.967 0.250 . 1 . . . . 37 N CA . 17381 1 345 . 1 1 37 37 ASN CB C 13 37.153 0.081 . 1 . . . . 37 N CB . 17381 1 346 . 1 1 37 37 ASN N N 15 121.102 0.065 . 1 . . . . 37 N N . 17381 1 347 . 1 1 38 38 ASP H H 1 8.043 0.004 . 1 . . . . 38 D NH . 17381 1 348 . 1 1 38 38 ASP HA H 1 4.494 0.017 . 1 . . . . 38 D HA . 17381 1 349 . 1 1 38 38 ASP HB2 H 1 3.001 0.007 . 2 . . . . 38 D HB2 . 17381 1 350 . 1 1 38 38 ASP HB3 H 1 2.721 0.012 . 2 . . . . 38 D HB3 . 17381 1 351 . 1 1 38 38 ASP CA C 13 55.746 0.070 . 1 . . . . 38 D CA . 17381 1 352 . 1 1 38 38 ASP CB C 13 38.813 0.028 . 1 . . . . 38 D CB . 17381 1 353 . 1 1 38 38 ASP N N 15 113.921 0.040 . 1 . . . . 38 D N . 17381 1 354 . 1 1 39 39 THR H H 1 6.964 0.009 . 1 . . . . 39 T NH . 17381 1 355 . 1 1 39 39 THR HA H 1 4.707 0.007 . 1 . . . . 39 T HA . 17381 1 356 . 1 1 39 39 THR HB H 1 4.180 0.003 . 1 . . . . 39 T HB . 17381 1 357 . 1 1 39 39 THR HG21 H 1 1.053 0.010 . 1 . . . . 39 T HG . 17381 1 358 . 1 1 39 39 THR HG22 H 1 1.053 0.010 . 1 . . . . 39 T HG . 17381 1 359 . 1 1 39 39 THR HG23 H 1 1.053 0.010 . 1 . . . . 39 T HG . 17381 1 360 . 1 1 39 39 THR CA C 13 60.356 0.099 . 1 . . . . 39 T CA . 17381 1 361 . 1 1 39 39 THR CB C 13 73.277 0.128 . 1 . . . . 39 T CB . 17381 1 362 . 1 1 39 39 THR CG2 C 13 21.740 0.000 . 1 . . . . 39 T CG . 17381 1 363 . 1 1 39 39 THR N N 15 105.317 0.027 . 1 . . . . 39 T N . 17381 1 364 . 1 1 40 40 MET H H 1 8.561 0.007 . 1 . . . . 40 M NH . 17381 1 365 . 1 1 40 40 MET HA H 1 5.750 0.011 . 1 . . . . 40 M HA . 17381 1 366 . 1 1 40 40 MET HB2 H 1 2.014 0.083 . 2 . . . . 40 M HB2 . 17381 1 367 . 1 1 40 40 MET HB3 H 1 1.933 0.004 . 2 . . . . 40 M HB3 . 17381 1 368 . 1 1 40 40 MET HG2 H 1 2.439 0.013 . 2 . . . . 40 M HG . 17381 1 369 . 1 1 40 40 MET HG3 H 1 2.439 0.013 . 2 . . . . 40 M HG . 17381 1 370 . 1 1 40 40 MET CA C 13 53.909 0.098 . 1 . . . . 40 M CA . 17381 1 371 . 1 1 40 40 MET CB C 13 35.892 0.126 . 1 . . . . 40 M CB . 17381 1 372 . 1 1 40 40 MET CG C 13 31.728 0.000 . 1 . . . . 40 M CG . 17381 1 373 . 1 1 40 40 MET N N 15 119.201 0.040 . 1 . . . . 40 M N . 17381 1 374 . 1 1 41 41 GLU H H 1 8.789 0.008 . 1 . . . . 41 E NH . 17381 1 375 . 1 1 41 41 GLU HA H 1 4.639 0.006 . 1 . . . . 41 E HA . 17381 1 376 . 1 1 41 41 GLU HB2 H 1 2.033 0.013 . 2 . . . . 41 E HB . 17381 1 377 . 1 1 41 41 GLU HB3 H 1 2.033 0.013 . 2 . . . . 41 E HB . 17381 1 378 . 1 1 41 41 GLU HG2 H 1 2.170 0.015 . 2 . . . . 41 E HG . 17381 1 379 . 1 1 41 41 GLU HG3 H 1 2.170 0.015 . 2 . . . . 41 E HG . 17381 1 380 . 1 1 41 41 GLU CA C 13 54.744 0.110 . 1 . . . . 41 E CA . 17381 1 381 . 1 1 41 41 GLU CB C 13 34.662 0.018 . 1 . . . . 41 E CB . 17381 1 382 . 1 1 41 41 GLU CG C 13 36.361 0.139 . 1 . . . . 41 E CG . 17381 1 383 . 1 1 41 41 GLU N N 15 121.387 0.083 . 1 . . . . 41 E N . 17381 1 384 . 1 1 42 42 GLU H H 1 8.782 0.004 . 1 . . . . 42 E NH . 17381 1 385 . 1 1 42 42 GLU HA H 1 4.823 0.016 . 1 . . . . 42 E HA . 17381 1 386 . 1 1 42 42 GLU HB2 H 1 1.728 0.019 . 2 . . . . 42 E HB . 17381 1 387 . 1 1 42 42 GLU HB3 H 1 1.728 0.019 . 2 . . . . 42 E HB . 17381 1 388 . 1 1 42 42 GLU HG2 H 1 1.967 0.005 . 2 . . . . 42 E HG . 17381 1 389 . 1 1 42 42 GLU HG3 H 1 1.967 0.005 . 2 . . . . 42 E HG . 17381 1 390 . 1 1 42 42 GLU CA C 13 55.646 0.062 . 1 . . . . 42 E CA . 17381 1 391 . 1 1 42 42 GLU CB C 13 31.892 0.091 . 1 . . . . 42 E CB . 17381 1 392 . 1 1 42 42 GLU CG C 13 37.950 0.000 . 1 . . . . 42 E CG . 17381 1 393 . 1 1 42 42 GLU N N 15 125.928 0.045 . 1 . . . . 42 E N . 17381 1 394 . 1 1 43 43 HIS H H 1 8.908 0.010 . 1 . . . . 43 H NH . 17381 1 395 . 1 1 43 43 HIS HA H 1 4.402 0.008 . 1 . . . . 43 H HA . 17381 1 396 . 1 1 43 43 HIS HB2 H 1 2.573 0.014 . 2 . . . . 43 H HB2 . 17381 1 397 . 1 1 43 43 HIS HB3 H 1 0.655 0.014 . 2 . . . . 43 H HB3 . 17381 1 398 . 1 1 43 43 HIS CA C 13 54.297 0.152 . 1 . . . . 43 H CA . 17381 1 399 . 1 1 43 43 HIS CB C 13 33.370 0.213 . 1 . . . . 43 H CB . 17381 1 400 . 1 1 43 43 HIS N N 15 121.991 0.023 . 1 . . . . 43 H N . 17381 1 401 . 1 1 44 44 SER H H 1 8.011 0.004 . 1 . . . . 44 S NH . 17381 1 402 . 1 1 44 44 SER HA H 1 5.092 0.009 . 1 . . . . 44 S HA . 17381 1 403 . 1 1 44 44 SER HB2 H 1 3.950 0.021 . 2 . . . . 44 S HB . 17381 1 404 . 1 1 44 44 SER HB3 H 1 3.950 0.021 . 2 . . . . 44 S HB . 17381 1 405 . 1 1 44 44 SER CA C 13 57.312 0.192 . 1 . . . . 44 S CA . 17381 1 406 . 1 1 44 44 SER CB C 13 63.984 0.015 . 1 . . . . 44 S CB . 17381 1 407 . 1 1 44 44 SER N N 15 115.014 0.040 . 1 . . . . 44 S N . 17381 1 408 . 1 1 45 45 PHE H H 1 8.528 0.009 . 1 . . . . 45 F NH . 17381 1 409 . 1 1 45 45 PHE HA H 1 4.426 0.009 . 1 . . . . 45 F HA . 17381 1 410 . 1 1 45 45 PHE HB2 H 1 3.625 0.012 . 2 . . . . 45 F HB2 . 17381 1 411 . 1 1 45 45 PHE HB3 H 1 3.203 0.011 . 2 . . . . 45 F HB3 . 17381 1 412 . 1 1 45 45 PHE CA C 13 58.951 0.035 . 1 . . . . 45 F CA . 17381 1 413 . 1 1 45 45 PHE CB C 13 38.791 0.116 . 1 . . . . 45 F CB . 17381 1 414 . 1 1 45 45 PHE N N 15 124.570 0.075 . 1 . . . . 45 F N . 17381 1 415 . 1 1 46 46 THR H H 1 7.801 0.007 . 1 . . . . 46 T NH . 17381 1 416 . 1 1 46 46 THR HA H 1 4.385 0.006 . 1 . . . . 46 T HA . 17381 1 417 . 1 1 46 46 THR HB H 1 4.622 0.013 . 1 . . . . 46 T HB . 17381 1 418 . 1 1 46 46 THR HG21 H 1 1.031 0.019 . 1 . . . . 46 T HG . 17381 1 419 . 1 1 46 46 THR HG22 H 1 1.031 0.019 . 1 . . . . 46 T HG . 17381 1 420 . 1 1 46 46 THR HG23 H 1 1.031 0.019 . 1 . . . . 46 T HG . 17381 1 421 . 1 1 46 46 THR CA C 13 60.783 0.134 . 1 . . . . 46 T CA . 17381 1 422 . 1 1 46 46 THR CB C 13 68.682 0.048 . 1 . . . . 46 T CB . 17381 1 423 . 1 1 46 46 THR CG2 C 13 21.941 0.000 . 1 . . . . 46 T CG . 17381 1 424 . 1 1 46 46 THR N N 15 103.526 0.024 . 1 . . . . 46 T N . 17381 1 425 . 1 1 47 47 ASP H H 1 7.218 0.006 . 1 . . . . 47 D NH . 17381 1 426 . 1 1 47 47 ASP HA H 1 4.562 0.012 . 1 . . . . 47 D HA . 17381 1 427 . 1 1 47 47 ASP HB2 H 1 3.029 0.014 . 2 . . . . 47 D HB2 . 17381 1 428 . 1 1 47 47 ASP HB3 H 1 2.867 0.007 . 2 . . . . 47 D HB3 . 17381 1 429 . 1 1 47 47 ASP CA C 13 54.888 0.096 . 1 . . . . 47 D CA . 17381 1 430 . 1 1 47 47 ASP CB C 13 41.133 0.091 . 1 . . . . 47 D CB . 17381 1 431 . 1 1 47 47 ASP N N 15 123.380 0.088 . 1 . . . . 47 D N . 17381 1 432 . 1 1 48 48 GLU H H 1 8.717 0.068 . 1 . . . . 48 E NH . 17381 1 433 . 1 1 48 48 GLU HA H 1 4.133 0.004 . 1 . . . . 48 E HA . 17381 1 434 . 1 1 48 48 GLU HB2 H 1 2.332 0.009 . 2 . . . . 48 E HB2 . 17381 1 435 . 1 1 48 48 GLU HB3 H 1 2.036 0.004 . 2 . . . . 48 E HB3 . 17381 1 436 . 1 1 48 48 GLU CA C 13 57.931 0.095 . 1 . . . . 48 E CA . 17381 1 437 . 1 1 48 48 GLU CB C 13 29.656 0.153 . 1 . . . . 48 E CB . 17381 1 438 . 1 1 48 48 GLU CG C 13 36.023 0.000 . 1 . . . . 48 E CG . 17381 1 439 . 1 1 48 48 GLU N N 15 121.226 0.093 . 1 . . . . 48 E N . 17381 1 440 . 1 1 49 49 GLY H H 1 9.033 0.005 . 1 . . . . 49 G NH . 17381 1 441 . 1 1 49 49 GLY HA2 H 1 4.370 0.004 . 2 . . . . 49 G HA2 . 17381 1 442 . 1 1 49 49 GLY HA3 H 1 3.744 0.003 . 2 . . . . 49 G HA3 . 17381 1 443 . 1 1 49 49 GLY CA C 13 44.945 0.210 . 1 . . . . 49 G CA . 17381 1 444 . 1 1 49 49 GLY N N 15 112.660 0.029 . 1 . . . . 49 G N . 17381 1 445 . 1 1 50 50 VAL H H 1 7.655 0.007 . 1 . . . . 50 V NH . 17381 1 446 . 1 1 50 50 VAL HA H 1 4.582 0.009 . 1 . . . . 50 V HA . 17381 1 447 . 1 1 50 50 VAL HB H 1 2.147 0.007 . 1 . . . . 50 V HB . 17381 1 448 . 1 1 50 50 VAL HG21 H 1 0.871 0.083 . 2 . . . . 50 V HG2 . 17381 1 449 . 1 1 50 50 VAL HG22 H 1 0.871 0.083 . 2 . . . . 50 V HG2 . 17381 1 450 . 1 1 50 50 VAL HG23 H 1 0.871 0.083 . 2 . . . . 50 V HG2 . 17381 1 451 . 1 1 50 50 VAL CA C 13 62.821 0.116 . 1 . . . . 50 V CA . 17381 1 452 . 1 1 50 50 VAL CB C 13 32.034 0.185 . 1 . . . . 50 V CB . 17381 1 453 . 1 1 50 50 VAL CG1 C 13 23.298 0.000 . 2 . . . . 50 V CG1 . 17381 1 454 . 1 1 50 50 VAL N N 15 121.672 0.033 . 1 . . . . 50 V N . 17381 1 455 . 1 1 51 51 GLU H H 1 8.505 0.009 . 1 . . . . 51 E NH . 17381 1 456 . 1 1 51 51 GLU HA H 1 4.819 0.012 . 1 . . . . 51 E HA . 17381 1 457 . 1 1 51 51 GLU HB2 H 1 1.927 0.014 . 2 . . . . 51 E HB2 . 17381 1 458 . 1 1 51 51 GLU HB3 H 1 1.775 0.004 . 2 . . . . 51 E HB3 . 17381 1 459 . 1 1 51 51 GLU HG2 H 1 2.327 0.011 . 2 . . . . 51 E HG2 . 17381 1 460 . 1 1 51 51 GLU HG3 H 1 2.077 0.020 . 2 . . . . 51 E HG3 . 17381 1 461 . 1 1 51 51 GLU CA C 13 54.887 0.102 . 1 . . . . 51 E CA . 17381 1 462 . 1 1 51 51 GLU CB C 13 33.371 0.031 . 1 . . . . 51 E CB . 17381 1 463 . 1 1 51 51 GLU CG C 13 36.216 0.039 . 1 . . . . 51 E CG . 17381 1 464 . 1 1 51 51 GLU N N 15 127.946 0.040 . 1 . . . . 51 E N . 17381 1 465 . 1 1 52 52 ILE H H 1 9.001 0.005 . 1 . . . . 52 I NH . 17381 1 466 . 1 1 52 52 ILE HA H 1 5.297 0.012 . 1 . . . . 52 I HA . 17381 1 467 . 1 1 52 52 ILE HB H 1 1.906 0.007 . 1 . . . . 52 I HB . 17381 1 468 . 1 1 52 52 ILE HG21 H 1 1.408 0.008 . 4 . . . . 52 I HG2 . 17381 1 469 . 1 1 52 52 ILE HG22 H 1 1.408 0.008 . 4 . . . . 52 I HG2 . 17381 1 470 . 1 1 52 52 ILE HG23 H 1 1.408 0.008 . 4 . . . . 52 I HG2 . 17381 1 471 . 1 1 52 52 ILE HD11 H 1 0.781 0.018 . 4 . . . . 52 I HD . 17381 1 472 . 1 1 52 52 ILE HD12 H 1 0.781 0.018 . 4 . . . . 52 I HD . 17381 1 473 . 1 1 52 52 ILE HD13 H 1 0.781 0.018 . 4 . . . . 52 I HD . 17381 1 474 . 1 1 52 52 ILE CA C 13 58.578 0.061 . 1 . . . . 52 I CA . 17381 1 475 . 1 1 52 52 ILE CB C 13 38.247 0.215 . 1 . . . . 52 I CB . 17381 1 476 . 1 1 52 52 ILE CG1 C 13 28.860 0.000 . 1 . . . . 52 I CG1 . 17381 1 477 . 1 1 52 52 ILE CG2 C 13 18.835 0.000 . 1 . . . . 52 I CG2 . 17381 1 478 . 1 1 52 52 ILE CD1 C 13 13.148 0.000 . 1 . . . . 52 I CD . 17381 1 479 . 1 1 52 52 ILE N N 15 126.322 0.072 . 1 . . . . 52 I N . 17381 1 480 . 1 1 53 53 SER H H 1 9.624 0.006 . 1 . . . . 53 S NH . 17381 1 481 . 1 1 53 53 SER HA H 1 4.991 0.004 . 1 . . . . 53 S HA . 17381 1 482 . 1 1 53 53 SER HB2 H 1 4.065 0.008 . 2 . . . . 53 S HB2 . 17381 1 483 . 1 1 53 53 SER HB3 H 1 3.759 0.006 . 2 . . . . 53 S HB3 . 17381 1 484 . 1 1 53 53 SER CA C 13 56.927 0.054 . 1 . . . . 53 S CA . 17381 1 485 . 1 1 53 53 SER CB C 13 66.893 0.047 . 1 . . . . 53 S CB . 17381 1 486 . 1 1 53 53 SER N N 15 123.595 0.046 . 1 . . . . 53 S N . 17381 1 487 . 1 1 54 54 GLY H H 1 8.585 0.004 . 1 . . . . 54 G NH . 17381 1 488 . 1 1 54 54 GLY HA2 H 1 4.409 0.009 . 2 . . . . 54 G HA2 . 17381 1 489 . 1 1 54 54 GLY HA3 H 1 3.617 0.006 . 2 . . . . 54 G HA3 . 17381 1 490 . 1 1 54 54 GLY CA C 13 45.100 0.185 . 1 . . . . 54 G CA . 17381 1 491 . 1 1 54 54 GLY N N 15 105.464 0.023 . 1 . . . . 54 G N . 17381 1 492 . 1 1 55 55 TYR H H 1 7.968 0.004 . 1 . . . . 55 Y NH . 17381 1 493 . 1 1 55 55 TYR HA H 1 4.634 0.005 . 1 . . . . 55 Y HA . 17381 1 494 . 1 1 55 55 TYR HB2 H 1 2.733 0.015 . 2 . . . . 55 Y HB . 17381 1 495 . 1 1 55 55 TYR HB3 H 1 2.733 0.015 . 2 . . . . 55 Y HB . 17381 1 496 . 1 1 55 55 TYR CA C 13 57.249 0.052 . 1 . . . . 55 Y CA . 17381 1 497 . 1 1 55 55 TYR CB C 13 39.300 0.137 . 1 . . . . 55 Y CB . 17381 1 498 . 1 1 55 55 TYR N N 15 120.601 0.026 . 1 . . . . 55 Y N . 17381 1 499 . 1 1 56 56 ASP H H 1 9.093 0.004 . 1 . . . . 56 D NH . 17381 1 500 . 1 1 56 56 ASP HA H 1 4.335 0.016 . 1 . . . . 56 D HA . 17381 1 501 . 1 1 56 56 ASP HB2 H 1 2.594 0.010 . 2 . . . . 56 D HB2 . 17381 1 502 . 1 1 56 56 ASP HB3 H 1 2.197 0.006 . 2 . . . . 56 D HB3 . 17381 1 503 . 1 1 56 56 ASP CA C 13 51.930 0.165 . 1 . . . . 56 D CA . 17381 1 504 . 1 1 56 56 ASP CB C 13 42.104 0.063 . 1 . . . . 56 D CB . 17381 1 505 . 1 1 56 56 ASP N N 15 130.756 0.021 . 1 . . . . 56 D N . 17381 1 506 . 1 1 57 57 ALA H H 1 8.224 0.005 . 1 . . . . 57 A NH . 17381 1 507 . 1 1 57 57 ALA HA H 1 3.607 0.006 . 1 . . . . 57 A HA . 17381 1 508 . 1 1 57 57 ALA HB1 H 1 1.231 0.011 . 1 . . . . 57 A HB . 17381 1 509 . 1 1 57 57 ALA HB2 H 1 1.231 0.011 . 1 . . . . 57 A HB . 17381 1 510 . 1 1 57 57 ALA HB3 H 1 1.231 0.011 . 1 . . . . 57 A HB . 17381 1 511 . 1 1 57 57 ALA CA C 13 53.247 0.080 . 1 . . . . 57 A CA . 17381 1 512 . 1 1 57 57 ALA CB C 13 18.894 0.307 . 1 . . . . 57 A CB . 17381 1 513 . 1 1 57 57 ALA N N 15 127.595 0.362 . 1 . . . . 57 A N . 17381 1 514 . 1 1 58 58 GLN H H 1 7.930 0.006 . 1 . . . . 58 Q NH . 17381 1 515 . 1 1 58 58 GLN HA H 1 4.218 0.005 . 1 . . . . 58 Q HA . 17381 1 516 . 1 1 58 58 GLN HB2 H 1 2.224 0.002 . 2 . . . . 58 Q HB2 . 17381 1 517 . 1 1 58 58 GLN HB3 H 1 1.778 0.016 . 2 . . . . 58 Q HB3 . 17381 1 518 . 1 1 58 58 GLN HG2 H 1 2.305 0.012 . 2 . . . . 58 Q HG2 . 17381 1 519 . 1 1 58 58 GLN HG3 H 1 2.160 0.012 . 2 . . . . 58 Q HG3 . 17381 1 520 . 1 1 58 58 GLN CA C 13 54.232 0.034 . 1 . . . . 58 Q CA . 17381 1 521 . 1 1 58 58 GLN CB C 13 28.541 0.201 . 1 . . . . 58 Q CB . 17381 1 522 . 1 1 58 58 GLN CG C 13 33.928 0.000 . 1 . . . . 58 Q CG . 17381 1 523 . 1 1 58 58 GLN N N 15 110.353 0.025 . 1 . . . . 58 Q N . 17381 1 524 . 1 1 59 59 LYS H H 1 7.233 0.009 . 1 . . . . 59 K NH . 17381 1 525 . 1 1 59 59 LYS HA H 1 4.368 0.006 . 1 . . . . 59 K HA . 17381 1 526 . 1 1 59 59 LYS HB2 H 1 1.679 0.014 . 2 . . . . 59 K HB2 . 17381 1 527 . 1 1 59 59 LYS HB3 H 1 1.373 0.013 . 2 . . . . 59 K HB3 . 17381 1 528 . 1 1 59 59 LYS HG2 H 1 1.308 0.016 . 2 . . . . 59 K HG2 . 17381 1 529 . 1 1 59 59 LYS HG3 H 1 1.239 0.005 . 2 . . . . 59 K HG3 . 17381 1 530 . 1 1 59 59 LYS HD2 H 1 1.551 0.003 . 2 . . . . 59 K HD . 17381 1 531 . 1 1 59 59 LYS HD3 H 1 1.551 0.003 . 2 . . . . 59 K HD . 17381 1 532 . 1 1 59 59 LYS HE2 H 1 2.891 0.005 . 2 . . . . 59 K HE . 17381 1 533 . 1 1 59 59 LYS HE3 H 1 2.891 0.005 . 2 . . . . 59 K HE . 17381 1 534 . 1 1 59 59 LYS CA C 13 54.732 0.029 . 1 . . . . 59 K CA . 17381 1 535 . 1 1 59 59 LYS CB C 13 33.957 0.045 . 1 . . . . 59 K CB . 17381 1 536 . 1 1 59 59 LYS N N 15 123.829 0.052 . 1 . . . . 59 K N . 17381 1 537 . 1 1 60 60 THR H H 1 7.771 0.003 . 1 . . . . 60 T NH . 17381 1 538 . 1 1 60 60 THR HA H 1 4.001 0.008 . 1 . . . . 60 T HA . 17381 1 539 . 1 1 60 60 THR HB H 1 4.208 0.005 . 1 . . . . 60 T HB . 17381 1 540 . 1 1 60 60 THR HG21 H 1 0.997 0.009 . 1 . . . . 60 T HG . 17381 1 541 . 1 1 60 60 THR HG22 H 1 0.997 0.009 . 1 . . . . 60 T HG . 17381 1 542 . 1 1 60 60 THR HG23 H 1 0.997 0.009 . 1 . . . . 60 T HG . 17381 1 543 . 1 1 60 60 THR CA C 13 61.257 0.063 . 1 . . . . 60 T CA . 17381 1 544 . 1 1 60 60 THR CB C 13 70.454 0.064 . 1 . . . . 60 T CB . 17381 1 545 . 1 1 60 60 THR CG2 C 13 22.429 0.000 . 1 . . . . 60 T CG . 17381 1 546 . 1 1 60 60 THR N N 15 112.254 0.021 . 1 . . . . 60 T N . 17381 1 547 . 1 1 61 61 GLY H H 1 9.401 0.006 . 1 . . . . 61 G NH . 17381 1 548 . 1 1 61 61 GLY HA2 H 1 3.732 0.018 . 2 . . . . 61 G HA . 17381 1 549 . 1 1 61 61 GLY HA3 H 1 3.732 0.018 . 2 . . . . 61 G HA . 17381 1 550 . 1 1 61 61 GLY CA C 13 43.658 0.141 . 1 . . . . 61 G CA . 17381 1 551 . 1 1 61 61 GLY N N 15 109.109 0.017 . 1 . . . . 61 G N . 17381 1 552 . 1 1 62 62 ARG H H 1 8.486 0.008 . 1 . . . . 62 R NH . 17381 1 553 . 1 1 62 62 ARG HA H 1 4.885 0.009 . 1 . . . . 62 R HA . 17381 1 554 . 1 1 62 62 ARG HB2 H 1 1.705 0.008 . 2 . . . . 62 R HB . 17381 1 555 . 1 1 62 62 ARG HB3 H 1 1.705 0.008 . 2 . . . . 62 R HB . 17381 1 556 . 1 1 62 62 ARG HG2 H 1 1.539 0.003 . 2 . . . . 62 R HG2 . 17381 1 557 . 1 1 62 62 ARG HG3 H 1 1.388 0.011 . 2 . . . . 62 R HG3 . 17381 1 558 . 1 1 62 62 ARG HD2 H 1 3.132 0.017 . 2 . . . . 62 R HD . 17381 1 559 . 1 1 62 62 ARG HD3 H 1 3.132 0.017 . 2 . . . . 62 R HD . 17381 1 560 . 1 1 62 62 ARG CA C 13 55.919 0.067 . 1 . . . . 62 R CA . 17381 1 561 . 1 1 62 62 ARG CB C 13 30.711 0.000 . 1 . . . . 62 R CB . 17381 1 562 . 1 1 62 62 ARG CG C 13 27.608 0.000 . 1 . . . . 62 R CG . 17381 1 563 . 1 1 62 62 ARG CD C 13 43.063 0.000 . 1 . . . . 62 R CD . 17381 1 564 . 1 1 62 62 ARG N N 15 121.246 0.034 . 1 . . . . 62 R N . 17381 1 565 . 1 1 63 63 GLN H H 1 9.242 0.007 . 1 . . . . 63 Q NH . 17381 1 566 . 1 1 63 63 GLN HA H 1 4.599 0.000 . 1 . . . . 63 Q HA . 17381 1 567 . 1 1 63 63 GLN HB2 H 1 2.066 0.011 . 2 . . . . 63 Q HB2 . 17381 1 568 . 1 1 63 63 GLN HB3 H 1 1.531 0.012 . 2 . . . . 63 Q HB3 . 17381 1 569 . 1 1 63 63 GLN CA C 13 55.406 0.000 . 1 . . . . 63 Q CA . 17381 1 570 . 1 1 63 63 GLN CB C 13 31.825 0.243 . 1 . . . . 63 Q CB . 17381 1 571 . 1 1 63 63 GLN CG C 13 34.227 0.000 . 1 . . . . 63 Q CG . 17381 1 572 . 1 1 63 63 GLN N N 15 127.355 0.030 . 1 . . . . 63 Q N . 17381 1 573 . 1 1 64 64 THR H H 1 8.669 0.005 . 1 . . . . 64 T NH . 17381 1 574 . 1 1 64 64 THR HA H 1 4.747 0.009 . 1 . . . . 64 T HA . 17381 1 575 . 1 1 64 64 THR HB H 1 3.740 0.010 . 1 . . . . 64 T HB . 17381 1 576 . 1 1 64 64 THR HG21 H 1 1.065 0.015 . 1 . . . . 64 T HG . 17381 1 577 . 1 1 64 64 THR HG22 H 1 1.065 0.015 . 1 . . . . 64 T HG . 17381 1 578 . 1 1 64 64 THR HG23 H 1 1.065 0.015 . 1 . . . . 64 T HG . 17381 1 579 . 1 1 64 64 THR CA C 13 62.257 0.056 . 1 . . . . 64 T CA . 17381 1 580 . 1 1 64 64 THR CB C 13 69.384 0.077 . 1 . . . . 64 T CB . 17381 1 581 . 1 1 64 64 THR CG2 C 13 22.666 0.000 . 1 . . . . 64 T CG . 17381 1 582 . 1 1 64 64 THR N N 15 120.262 0.064 . 1 . . . . 64 T N . 17381 1 583 . 1 1 65 65 LEU H H 1 9.531 0.010 . 1 . . . . 65 L NH . 17381 1 584 . 1 1 65 65 LEU HA H 1 4.624 0.010 . 1 . . . . 65 L HA . 17381 1 585 . 1 1 65 65 LEU HB2 H 1 0.851 0.012 . 2 . . . . 65 L HB2 . 17381 1 586 . 1 1 65 65 LEU HB3 H 1 0.436 0.007 . 2 . . . . 65 L HB3 . 17381 1 587 . 1 1 65 65 LEU HG H 1 0.523 0.011 . 1 . . . . 65 L HG . 17381 1 588 . 1 1 65 65 LEU CA C 13 52.864 0.057 . 1 . . . . 65 L CA . 17381 1 589 . 1 1 65 65 LEU CB C 13 41.356 0.069 . 1 . . . . 65 L CB . 17381 1 590 . 1 1 65 65 LEU N N 15 103.173 0.033 . 1 . . . . 65 L N . 17381 1 591 . 1 1 66 66 THR H H 1 8.387 0.004 . 1 . . . . 66 T NH . 17381 1 592 . 1 1 66 66 THR HA H 1 4.582 0.012 . 1 . . . . 66 T HA . 17381 1 593 . 1 1 66 66 THR HB H 1 3.564 0.010 . 1 . . . . 66 T HB . 17381 1 594 . 1 1 66 66 THR HG21 H 1 0.376 0.006 . 4 . . . . 66 T HG2 . 17381 1 595 . 1 1 66 66 THR HG22 H 1 0.376 0.006 . 4 . . . . 66 T HG2 . 17381 1 596 . 1 1 66 66 THR HG23 H 1 0.376 0.006 . 4 . . . . 66 T HG2 . 17381 1 597 . 1 1 66 66 THR CA C 13 61.901 0.120 . 1 . . . . 66 T CA . 17381 1 598 . 1 1 66 66 THR CB C 13 71.071 0.068 . 1 . . . . 66 T CB . 17381 1 599 . 1 1 66 66 THR CG2 C 13 21.450 0.000 . 1 . . . . 66 T CG . 17381 1 600 . 1 1 66 66 THR N N 15 113.554 0.034 . 1 . . . . 66 T N . 17381 1 601 . 1 1 67 67 LEU H H 1 9.191 0.008 . 1 . . . . 67 L NH . 17381 1 602 . 1 1 67 67 LEU HA H 1 5.493 0.000 . 1 . . . . 67 L HA . 17381 1 603 . 1 1 67 67 LEU HB2 H 1 1.378 0.018 . 2 . . . . 67 L HB2 . 17381 1 604 . 1 1 67 67 LEU HB3 H 1 0.889 0.008 . 2 . . . . 67 L HB3 . 17381 1 605 . 1 1 67 67 LEU HG H 1 0.831 0.011 . 1 . . . . 67 L HG . 17381 1 606 . 1 1 67 67 LEU CA C 13 54.817 0.102 . 1 . . . . 67 L CA . 17381 1 607 . 1 1 67 67 LEU CB C 13 42.984 0.000 . 1 . . . . 67 L CB . 17381 1 608 . 1 1 67 67 LEU CG C 13 26.432 0.000 . 1 . . . . 67 L CG . 17381 1 609 . 1 1 67 67 LEU N N 15 131.077 0.033 . 1 . . . . 67 L N . 17381 1 610 . 1 1 68 68 HIS H H 1 9.164 0.009 . 1 . . . . 68 H NH . 17381 1 611 . 1 1 68 68 HIS HA H 1 5.185 0.015 . 1 . . . . 68 H HA . 17381 1 612 . 1 1 68 68 HIS HB2 H 1 3.141 0.014 . 2 . . . . 68 H HB . 17381 1 613 . 1 1 68 68 HIS HB3 H 1 3.141 0.014 . 2 . . . . 68 H HB . 17381 1 614 . 1 1 68 68 HIS CA C 13 53.601 0.073 . 1 . . . . 68 H CA . 17381 1 615 . 1 1 68 68 HIS CB C 13 30.628 0.230 . 1 . . . . 68 H CB . 17381 1 616 . 1 1 68 68 HIS N N 15 123.965 0.066 . 1 . . . . 68 H N . 17381 1 617 . 1 1 69 69 TYR H H 1 8.681 0.007 . 1 . . . . 69 Y NH . 17381 1 618 . 1 1 69 69 TYR HA H 1 4.516 0.008 . 1 . . . . 69 Y HA . 17381 1 619 . 1 1 69 69 TYR HB2 H 1 2.468 0.016 . 2 . . . . 69 Y HB2 . 17381 1 620 . 1 1 69 69 TYR HB3 H 1 2.282 0.005 . 2 . . . . 69 Y HB3 . 17381 1 621 . 1 1 69 69 TYR CA C 13 58.797 0.065 . 1 . . . . 69 Y CA . 17381 1 622 . 1 1 69 69 TYR CB C 13 41.373 0.056 . 1 . . . . 69 Y CB . 17381 1 623 . 1 1 69 69 TYR N N 15 122.897 0.032 . 1 . . . . 69 Y N . 17381 1 624 . 1 1 70 70 GLN H H 1 9.220 0.004 . 1 . . . . 70 Q NH . 17381 1 625 . 1 1 70 70 GLN HA H 1 3.530 0.007 . 1 . . . . 70 Q HA . 17381 1 626 . 1 1 70 70 GLN HB2 H 1 2.092 0.013 . 2 . . . . 70 Q HB2 . 17381 1 627 . 1 1 70 70 GLN HB3 H 1 1.427 0.000 . 2 . . . . 70 Q HB3 . 17381 1 628 . 1 1 70 70 GLN HG2 H 1 1.387 0.009 . 2 . . . . 70 Q HG2 . 17381 1 629 . 1 1 70 70 GLN HG3 H 1 1.226 0.012 . 2 . . . . 70 Q HG3 . 17381 1 630 . 1 1 70 70 GLN CA C 13 56.551 0.033 . 1 . . . . 70 Q CA . 17381 1 631 . 1 1 70 70 GLN CB C 13 26.259 0.199 . 1 . . . . 70 Q CB . 17381 1 632 . 1 1 70 70 GLN CG C 13 33.260 0.083 . 1 . . . . 70 Q CG . 17381 1 633 . 1 1 70 70 GLN N N 15 125.281 0.055 . 1 . . . . 70 Q N . 17381 1 634 . 1 1 71 71 GLY H H 1 8.788 0.007 . 1 . . . . 71 G NH . 17381 1 635 . 1 1 71 71 GLY HA2 H 1 4.030 0.014 . 2 . . . . 71 G HA2 . 17381 1 636 . 1 1 71 71 GLY HA3 H 1 3.493 0.005 . 2 . . . . 71 G HA3 . 17381 1 637 . 1 1 71 71 GLY CA C 13 45.478 0.165 . 1 . . . . 71 G CA . 17381 1 638 . 1 1 71 71 GLY N N 15 103.587 0.020 . 1 . . . . 71 G N . 17381 1 639 . 1 1 72 72 HIS H H 1 8.262 0.005 . 1 . . . . 72 H NH . 17381 1 640 . 1 1 72 72 HIS HA H 1 4.593 0.003 . 1 . . . . 72 H HA . 17381 1 641 . 1 1 72 72 HIS HB2 H 1 3.077 0.006 . 2 . . . . 72 H HB . 17381 1 642 . 1 1 72 72 HIS HB3 H 1 3.077 0.006 . 2 . . . . 72 H HB . 17381 1 643 . 1 1 72 72 HIS CA C 13 55.428 0.051 . 1 . . . . 72 H CA . 17381 1 644 . 1 1 72 72 HIS CB C 13 32.707 0.191 . 1 . . . . 72 H CB . 17381 1 645 . 1 1 72 72 HIS N N 15 121.081 0.040 . 1 . . . . 72 H N . 17381 1 646 . 1 1 73 73 GLU H H 1 8.667 0.005 . 1 . . . . 73 E NH . 17381 1 647 . 1 1 73 73 GLU HA H 1 5.666 0.009 . 1 . . . . 73 E HA . 17381 1 648 . 1 1 73 73 GLU HG2 H 1 1.835 0.009 . 2 . . . . 73 E HG . 17381 1 649 . 1 1 73 73 GLU HG3 H 1 1.835 0.009 . 2 . . . . 73 E HG . 17381 1 650 . 1 1 73 73 GLU CA C 13 54.636 0.000 . 1 . . . . 73 E CA . 17381 1 651 . 1 1 73 73 GLU CB C 13 33.790 0.106 . 1 . . . . 73 E CB . 17381 1 652 . 1 1 73 73 GLU N N 15 118.675 0.035 . 1 . . . . 73 E N . 17381 1 653 . 1 1 74 74 VAL H H 1 8.423 0.007 . 1 . . . . 74 V NH . 17381 1 654 . 1 1 74 74 VAL HA H 1 4.463 0.006 . 1 . . . . 74 V HA . 17381 1 655 . 1 1 74 74 VAL HB H 1 0.851 0.005 . 1 . . . . 74 V HB . 17381 1 656 . 1 1 74 74 VAL CA C 13 61.108 0.000 . 1 . . . . 74 V CA . 17381 1 657 . 1 1 74 74 VAL CB C 13 34.148 0.164 . 1 . . . . 74 V CB . 17381 1 658 . 1 1 74 74 VAL N N 15 118.850 0.035 . 1 . . . . 74 V N . 17381 1 659 . 1 1 75 75 SER H H 1 8.459 0.006 . 1 . . . . 75 S NH . 17381 1 660 . 1 1 75 75 SER HA H 1 5.780 0.008 . 1 . . . . 75 S HA . 17381 1 661 . 1 1 75 75 SER HB2 H 1 3.748 0.016 . 2 . . . . 75 S HB2 . 17381 1 662 . 1 1 75 75 SER HB3 H 1 3.623 0.011 . 2 . . . . 75 S HB3 . 17381 1 663 . 1 1 75 75 SER CA C 13 57.732 0.074 . 1 . . . . 75 S CA . 17381 1 664 . 1 1 75 75 SER CB C 13 66.037 0.315 . 1 . . . . 75 S CB . 17381 1 665 . 1 1 75 75 SER N N 15 122.027 0.089 . 1 . . . . 75 S N . 17381 1 666 . 1 1 76 76 PHE H H 1 8.724 0.007 . 1 . . . . 76 F NH . 17381 1 667 . 1 1 76 76 PHE HA H 1 4.863 0.011 . 1 . . . . 76 F HA . 17381 1 668 . 1 1 76 76 PHE HB2 H 1 3.185 0.015 . 2 . . . . 76 F HB . 17381 1 669 . 1 1 76 76 PHE HB3 H 1 3.185 0.015 . 2 . . . . 76 F HB . 17381 1 670 . 1 1 76 76 PHE CA C 13 56.673 0.190 . 1 . . . . 76 F CA . 17381 1 671 . 1 1 76 76 PHE CB C 13 40.279 0.171 . 1 . . . . 76 F CB . 17381 1 672 . 1 1 76 76 PHE N N 15 118.193 0.037 . 1 . . . . 76 F N . 17381 1 673 . 1 1 77 77 ASP H H 1 8.673 0.004 . 1 . . . . 77 D NH . 17381 1 674 . 1 1 77 77 ASP HA H 1 5.806 0.006 . 1 . . . . 77 D HA . 17381 1 675 . 1 1 77 77 ASP HB2 H 1 2.525 0.019 . 2 . . . . 77 D HB . 17381 1 676 . 1 1 77 77 ASP HB3 H 1 2.525 0.019 . 2 . . . . 77 D HB . 17381 1 677 . 1 1 77 77 ASP CA C 13 53.073 0.085 . 1 . . . . 77 D CA . 17381 1 678 . 1 1 77 77 ASP CB C 13 42.741 0.111 . 1 . . . . 77 D CB . 17381 1 679 . 1 1 77 77 ASP N N 15 120.491 0.033 . 1 . . . . 77 D N . 17381 1 680 . 1 1 78 78 VAL H H 1 8.826 0.007 . 1 . . . . 78 V NH . 17381 1 681 . 1 1 78 78 VAL HA H 1 5.047 0.012 . 1 . . . . 78 V HA . 17381 1 682 . 1 1 78 78 VAL HB H 1 2.439 0.007 . 1 . . . . 78 V HB . 17381 1 683 . 1 1 78 78 VAL HG11 H 1 1.094 0.020 . 2 . . . . 78 V HG1 . 17381 1 684 . 1 1 78 78 VAL HG12 H 1 1.094 0.020 . 2 . . . . 78 V HG1 . 17381 1 685 . 1 1 78 78 VAL HG13 H 1 1.094 0.020 . 2 . . . . 78 V HG1 . 17381 1 686 . 1 1 78 78 VAL HG21 H 1 0.778 0.014 . 2 . . . . 78 V HG2 . 17381 1 687 . 1 1 78 78 VAL HG22 H 1 0.778 0.014 . 2 . . . . 78 V HG2 . 17381 1 688 . 1 1 78 78 VAL HG23 H 1 0.778 0.014 . 2 . . . . 78 V HG2 . 17381 1 689 . 1 1 78 78 VAL CA C 13 59.053 0.088 . 1 . . . . 78 V CA . 17381 1 690 . 1 1 78 78 VAL CB C 13 35.283 0.137 . 1 . . . . 78 V CB . 17381 1 691 . 1 1 78 78 VAL CG1 C 13 22.519 0.000 . 2 . . . . 78 V CG1 . 17381 1 692 . 1 1 78 78 VAL N N 15 110.657 0.035 . 1 . . . . 78 V N . 17381 1 693 . 1 1 79 79 LEU H H 1 9.069 0.009 . 1 . . . . 79 L NH . 17381 1 694 . 1 1 79 79 LEU HA H 1 4.949 0.031 . 1 . . . . 79 L HA . 17381 1 695 . 1 1 79 79 LEU HB2 H 1 1.527 0.011 . 2 . . . . 79 L HB . 17381 1 696 . 1 1 79 79 LEU HB3 H 1 1.527 0.011 . 2 . . . . 79 L HB . 17381 1 697 . 1 1 79 79 LEU HD11 H 1 0.817 0.012 . 2 . . . . 79 L HD . 17381 1 698 . 1 1 79 79 LEU HD12 H 1 0.817 0.012 . 2 . . . . 79 L HD . 17381 1 699 . 1 1 79 79 LEU HD13 H 1 0.817 0.012 . 2 . . . . 79 L HD . 17381 1 700 . 1 1 79 79 LEU HD21 H 1 0.817 0.012 . 2 . . . . 79 L HD . 17381 1 701 . 1 1 79 79 LEU HD22 H 1 0.817 0.012 . 2 . . . . 79 L HD . 17381 1 702 . 1 1 79 79 LEU HD23 H 1 0.817 0.012 . 2 . . . . 79 L HD . 17381 1 703 . 1 1 79 79 LEU CA C 13 54.177 0.118 . 1 . . . . 79 L CA . 17381 1 704 . 1 1 79 79 LEU CB C 13 45.105 0.208 . 1 . . . . 79 L CB . 17381 1 705 . 1 1 79 79 LEU CG C 13 28.480 0.000 . 1 . . . . 79 L CG . 17381 1 706 . 1 1 79 79 LEU N N 15 122.939 0.039 . 1 . . . . 79 L N . 17381 1 707 . 1 1 80 80 VAL H H 1 8.348 0.009 . 1 . . . . 80 V NH . 17381 1 708 . 1 1 80 80 VAL HA H 1 4.715 0.008 . 1 . . . . 80 V HA . 17381 1 709 . 1 1 80 80 VAL HB H 1 2.414 0.011 . 1 . . . . 80 V HB . 17381 1 710 . 1 1 80 80 VAL HG11 H 1 1.038 0.011 . 2 . . . . 80 V HG1 . 17381 1 711 . 1 1 80 80 VAL HG12 H 1 1.038 0.011 . 2 . . . . 80 V HG1 . 17381 1 712 . 1 1 80 80 VAL HG13 H 1 1.038 0.011 . 2 . . . . 80 V HG1 . 17381 1 713 . 1 1 80 80 VAL HG21 H 1 0.595 0.015 . 2 . . . . 80 V HG2 . 17381 1 714 . 1 1 80 80 VAL HG22 H 1 0.595 0.015 . 2 . . . . 80 V HG2 . 17381 1 715 . 1 1 80 80 VAL HG23 H 1 0.595 0.015 . 2 . . . . 80 V HG2 . 17381 1 716 . 1 1 80 80 VAL CA C 13 61.147 0.113 . 1 . . . . 80 V CA . 17381 1 717 . 1 1 80 80 VAL CB C 13 32.895 0.000 . 1 . . . . 80 V CB . 17381 1 718 . 1 1 80 80 VAL CG1 C 13 22.288 0.000 . 2 . . . . 80 V CG1 . 17381 1 719 . 1 1 80 80 VAL N N 15 126.472 0.062 . 1 . . . . 80 V N . 17381 1 720 . 1 1 81 81 SER H H 1 9.304 0.007 . 1 . . . . 81 S NH . 17381 1 721 . 1 1 81 81 SER CA C 13 56.939 0.000 . 1 . . . . 81 S CA . 17381 1 722 . 1 1 81 81 SER CB C 13 63.402 0.000 . 1 . . . . 81 S CB . 17381 1 723 . 1 1 81 81 SER N N 15 126.279 0.054 . 1 . . . . 81 S N . 17381 1 724 . 1 1 82 82 PRO HA H 1 4.505 0.002 . 1 . . . . 82 P HA . 17381 1 725 . 1 1 82 82 PRO HB2 H 1 2.265 0.013 . 2 . . . . 82 P HB2 . 17381 1 726 . 1 1 82 82 PRO HB3 H 1 1.901 0.010 . 2 . . . . 82 P HB3 . 17381 1 727 . 1 1 82 82 PRO CA C 13 62.559 0.128 . 1 . . . . 82 P CA . 17381 1 728 . 1 1 82 82 PRO CB C 13 32.346 0.116 . 1 . . . . 82 P CB . 17381 1 729 . 1 1 82 82 PRO CG C 13 27.617 0.000 . 1 . . . . 82 P CG . 17381 1 730 . 1 1 83 83 LYS H H 1 8.351 0.004 . 1 . . . . 83 K NH . 17381 1 731 . 1 1 83 83 LYS HA H 1 4.201 0.007 . 1 . . . . 83 K HA . 17381 1 732 . 1 1 83 83 LYS HB2 H 1 1.802 0.013 . 2 . . . . 83 K HB2 . 17381 1 733 . 1 1 83 83 LYS HB3 H 1 1.682 0.017 . 2 . . . . 83 K HB3 . 17381 1 734 . 1 1 83 83 LYS HG2 H 1 1.442 0.005 . 2 . . . . 83 K HG . 17381 1 735 . 1 1 83 83 LYS HG3 H 1 1.442 0.005 . 2 . . . . 83 K HG . 17381 1 736 . 1 1 83 83 LYS HE2 H 1 2.970 0.008 . 2 . . . . 83 K HE . 17381 1 737 . 1 1 83 83 LYS HE3 H 1 2.970 0.008 . 2 . . . . 83 K HE . 17381 1 738 . 1 1 83 83 LYS CA C 13 56.594 0.062 . 1 . . . . 83 K CA . 17381 1 739 . 1 1 83 83 LYS CB C 13 33.495 0.234 . 1 . . . . 83 K CB . 17381 1 740 . 1 1 83 83 LYS CG C 13 25.590 0.000 . 1 . . . . 83 K CG . 17381 1 741 . 1 1 83 83 LYS CD C 13 29.818 0.000 . 1 . . . . 83 K CD . 17381 1 742 . 1 1 83 83 LYS CE C 13 42.256 0.000 . 1 . . . . 83 K CE . 17381 1 743 . 1 1 83 83 LYS N N 15 120.496 0.109 . 1 . . . . 83 K N . 17381 1 744 . 1 1 84 84 ALA H H 1 8.330 0.005 . 1 . . . . 84 A NH . 17381 1 745 . 1 1 84 84 ALA HA H 1 4.242 0.002 . 1 . . . . 84 A HA . 17381 1 746 . 1 1 84 84 ALA HB1 H 1 1.327 0.003 . 1 . . . . 84 A HB . 17381 1 747 . 1 1 84 84 ALA HB2 H 1 1.327 0.003 . 1 . . . . 84 A HB . 17381 1 748 . 1 1 84 84 ALA HB3 H 1 1.327 0.003 . 1 . . . . 84 A HB . 17381 1 749 . 1 1 84 84 ALA CA C 13 52.163 0.110 . 1 . . . . 84 A CA . 17381 1 750 . 1 1 84 84 ALA CB C 13 19.155 0.037 . 1 . . . . 84 A CB . 17381 1 751 . 1 1 84 84 ALA N N 15 126.301 0.041 . 1 . . . . 84 A N . 17381 1 752 . 1 1 85 85 ALA H H 1 8.302 0.004 . 1 . . . . 85 A NH . 17381 1 753 . 1 1 85 85 ALA HA H 1 4.234 0.001 . 1 . . . . 85 A HA . 17381 1 754 . 1 1 85 85 ALA HB1 H 1 1.324 0.002 . 1 . . . . 85 A HB . 17381 1 755 . 1 1 85 85 ALA HB2 H 1 1.324 0.002 . 1 . . . . 85 A HB . 17381 1 756 . 1 1 85 85 ALA HB3 H 1 1.324 0.002 . 1 . . . . 85 A HB . 17381 1 757 . 1 1 85 85 ALA CA C 13 52.147 0.014 . 1 . . . . 85 A CA . 17381 1 758 . 1 1 85 85 ALA CB C 13 19.355 0.434 . 1 . . . . 85 A CB . 17381 1 759 . 1 1 85 85 ALA N N 15 121.954 0.050 . 1 . . . . 85 A N . 17381 1 760 . 1 1 86 86 LEU H H 1 8.371 0.004 . 1 . . . . 86 L NH . 17381 1 761 . 1 1 86 86 LEU N N 15 124.450 0.010 . 1 . . . . 86 L N . 17381 1 762 . 1 1 87 87 ASN HA H 1 4.871 0.005 . 1 . . . . 87 N HA . 17381 1 763 . 1 1 87 87 ASN HB2 H 1 3.049 0.004 . 2 . . . . 87 N HB2 . 17381 1 764 . 1 1 87 87 ASN HB3 H 1 2.675 0.005 . 2 . . . . 87 N HB3 . 17381 1 765 . 1 1 87 87 ASN CA C 13 53.032 0.249 . 1 . . . . 87 N CA . 17381 1 766 . 1 1 87 87 ASN CB C 13 41.153 0.172 . 1 . . . . 87 N CB . 17381 1 767 . 1 1 88 88 ASP H H 1 9.015 0.004 . 1 . . . . 88 D NH . 17381 1 768 . 1 1 88 88 ASP HA H 1 4.509 0.005 . 1 . . . . 88 D HA . 17381 1 769 . 1 1 88 88 ASP HB2 H 1 2.622 0.005 . 2 . . . . 88 D HB . 17381 1 770 . 1 1 88 88 ASP HB3 H 1 2.622 0.005 . 2 . . . . 88 D HB . 17381 1 771 . 1 1 88 88 ASP CA C 13 54.734 0.063 . 1 . . . . 88 D CA . 17381 1 772 . 1 1 88 88 ASP CB C 13 41.045 0.054 . 1 . . . . 88 D CB . 17381 1 773 . 1 1 88 88 ASP N N 15 123.652 0.036 . 1 . . . . 88 D N . 17381 1 774 . 1 1 89 89 GLU H H 1 8.366 0.094 . 1 . . . . 89 E NH . 17381 1 775 . 1 1 89 89 GLU HA H 1 4.139 0.004 . 1 . . . . 89 E HA . 17381 1 776 . 1 1 89 89 GLU HB2 H 1 2.214 0.000 . 2 . . . . 89 E HB2 . 17381 1 777 . 1 1 89 89 GLU HB3 H 1 1.975 0.001 . 2 . . . . 89 E HB3 . 17381 1 778 . 1 1 89 89 GLU HG2 H 1 2.576 0.000 . 2 . . . . 89 E HG . 17381 1 779 . 1 1 89 89 GLU HG3 H 1 2.576 0.000 . 2 . . . . 89 E HG . 17381 1 780 . 1 1 89 89 GLU CA C 13 57.207 0.091 . 1 . . . . 89 E CA . 17381 1 781 . 1 1 89 89 GLU CB C 13 30.142 0.549 . 1 . . . . 89 E CB . 17381 1 782 . 1 1 89 89 GLU CG C 13 36.432 0.000 . 1 . . . . 89 E CG . 17381 1 783 . 1 1 89 89 GLU N N 15 120.886 0.134 . 1 . . . . 89 E N . 17381 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 36 17381 1 1 37 17381 1 1 38 17381 1 2 69 17381 1 2 70 17381 1 2 71 17381 1 3 468 17381 1 3 469 17381 1 3 470 17381 1 3 471 17381 1 3 472 17381 1 3 473 17381 1 4 594 17381 1 4 595 17381 1 4 596 17381 1 stop_ save_