data_15351 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15351 _Entry.Title ; Solution structure of first SH3 domain of adaptor Nck ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.96 _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 Michael Hake . J. . 15351 2 Kiattawee Choowongkomon . . . 15351 3 Cathleen Carlin . R. . 15351 4 Frank Sonnichsen . D. . 15351 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15351 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID adaptor . 15351 'SH3 domain' . 15351 signaling . 15351 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15351 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 15351 '15N chemical shifts' 67 15351 '1H chemical shifts' 441 15351 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-03 2007-06-29 update BMRB 'complete entry citation' 15351 1 . . 2008-02-29 2007-06-29 original author 'original release' 15351 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JS2 'BMRB Entry Tracking System' 15351 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15351 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18269246 _Citation.Full_citation . _Citation.Title 'Specificity Determinants of a Novel Nck Interaction with the Juxtamembrane Domain of the Epidermal Growth Factor Receptor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 10 _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 3096 _Citation.Page_last 3108 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Hake M. J. . 15351 1 2 Kiattawee Choowongkomon . . . 15351 1 3 Olga Kostenko . . . 15351 1 4 Cathleen Carlin . . . 15351 1 5 Frank Sonnichsen . D. . 15351 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15351 _Assembly.ID 1 _Assembly.Name 'Nck1-1 SH3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7461.453 _Assembly.Enzyme_commission_number . _Assembly.Details 'single chain' _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 'Nck1-1 SH3' 1 $Nck1-1 A . yes native no no . . . 15351 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nck1-1 _Entity.Sf_category entity _Entity.Sf_framecode Nck1-1 _Entity.Entry_ID 15351 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nck1-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMAEEVVVVAKFDYVAQQE QELDIKKNERLWLLDDSKSW WRVRNSMNKTGFVPSNYVER KNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -1, G 0, S 1, M ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7461.453 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JS2 . "Solution Structure Of First Sh3 Domain Of Adaptor Nck" . . . . . 100.00 63 100.00 100.00 1.19e-36 . . . . 15351 1 2 no DBJ BAG35571 . "unnamed protein product [Homo sapiens]" . . . . . 96.83 377 100.00 100.00 9.20e-33 . . . . 15351 1 3 no DBJ BAG73433 . "NCK adaptor protein 1 [synthetic construct]" . . . . . 96.83 377 100.00 100.00 9.99e-33 . . . . 15351 1 4 no DBJ BAK63238 . "cytoplasmic protein NCK1 [Pan troglodytes]" . . . . . 96.83 377 100.00 100.00 9.99e-33 . . . . 15351 1 5 no EMBL CAA35599 . "unnamed protein product [Homo sapiens]" . . . . . 96.83 377 100.00 100.00 9.99e-33 . . . . 15351 1 6 no GB AAD13752 . "SH2/SH3 adaptor protein [Mus musculus]" . . . . . 96.83 377 98.36 98.36 6.27e-32 . . . . 15351 1 7 no GB AAH02015 . "Non-catalytic region of tyrosine kinase adaptor protein 1 [Mus musculus]" . . . . . 96.83 377 100.00 100.00 8.66e-33 . . . . 15351 1 8 no GB AAH06403 . "NCK adaptor protein 1 [Homo sapiens]" . . . . . 96.83 377 100.00 100.00 9.99e-33 . . . . 15351 1 9 no GB AAI16110 . "NCK adaptor protein 1 [Bos taurus]" . . . . . 96.83 377 98.36 100.00 4.86e-32 . . . . 15351 1 10 no GB AAI67009 . "Nck1 protein [Rattus norvegicus]" . . . . . 96.83 377 100.00 100.00 9.39e-33 . . . . 15351 1 11 no REF NP_001069540 . "cytoplasmic protein NCK1 [Bos taurus]" . . . . . 96.83 377 98.36 100.00 4.86e-32 . . . . 15351 1 12 no REF NP_001100321 . "cytoplasmic protein NCK1 [Rattus norvegicus]" . . . . . 96.83 377 100.00 100.00 9.39e-33 . . . . 15351 1 13 no REF NP_001131102 . "cytoplasmic protein NCK1 [Sus scrofa]" . . . . . 96.83 377 100.00 100.00 8.75e-33 . . . . 15351 1 14 no REF NP_001159671 . "cytoplasmic protein NCK1 [Ovis aries]" . . . . . 96.83 377 100.00 100.00 8.31e-33 . . . . 15351 1 15 no REF NP_001233509 . "cytoplasmic protein NCK1 [Pan troglodytes]" . . . . . 96.83 377 100.00 100.00 9.99e-33 . . . . 15351 1 16 no SP P16333 . "RecName: Full=Cytoplasmic protein NCK1; AltName: Full=NCK adaptor protein 1; Short=Nck-1; AltName: Full=SH2/SH3 adaptor protein" . . . . . 96.83 377 100.00 100.00 9.99e-33 . . . . 15351 1 17 no SP Q99M51 . "RecName: Full=Cytoplasmic protein NCK1; AltName: Full=NCK adaptor protein 1; Short=Nck-1" . . . . . 96.83 377 100.00 100.00 8.66e-33 . . . . 15351 1 18 no TPG DAA33097 . "TPA: NCK adaptor protein 1 [Bos taurus]" . . . . . 96.83 377 98.36 100.00 4.86e-32 . . . . 15351 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 -1 GLY . 15351 1 2 0 SER . 15351 1 3 1 MET . 15351 1 4 2 ALA . 15351 1 5 3 GLU . 15351 1 6 4 GLU . 15351 1 7 5 VAL . 15351 1 8 6 VAL . 15351 1 9 7 VAL . 15351 1 10 8 VAL . 15351 1 11 9 ALA . 15351 1 12 10 LYS . 15351 1 13 11 PHE . 15351 1 14 12 ASP . 15351 1 15 13 TYR . 15351 1 16 14 VAL . 15351 1 17 15 ALA . 15351 1 18 16 GLN . 15351 1 19 17 GLN . 15351 1 20 18 GLU . 15351 1 21 19 GLN . 15351 1 22 20 GLU . 15351 1 23 21 LEU . 15351 1 24 22 ASP . 15351 1 25 23 ILE . 15351 1 26 24 LYS . 15351 1 27 25 LYS . 15351 1 28 26 ASN . 15351 1 29 27 GLU . 15351 1 30 28 ARG . 15351 1 31 29 LEU . 15351 1 32 30 TRP . 15351 1 33 31 LEU . 15351 1 34 32 LEU . 15351 1 35 33 ASP . 15351 1 36 34 ASP . 15351 1 37 35 SER . 15351 1 38 36 LYS . 15351 1 39 37 SER . 15351 1 40 38 TRP . 15351 1 41 39 TRP . 15351 1 42 40 ARG . 15351 1 43 41 VAL . 15351 1 44 42 ARG . 15351 1 45 43 ASN . 15351 1 46 44 SER . 15351 1 47 45 MET . 15351 1 48 46 ASN . 15351 1 49 47 LYS . 15351 1 50 48 THR . 15351 1 51 49 GLY . 15351 1 52 50 PHE . 15351 1 53 51 VAL . 15351 1 54 52 PRO . 15351 1 55 53 SER . 15351 1 56 54 ASN . 15351 1 57 55 TYR . 15351 1 58 56 VAL . 15351 1 59 57 GLU . 15351 1 60 58 ARG . 15351 1 61 59 LYS . 15351 1 62 60 ASN . 15351 1 63 61 SER . 15351 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15351 1 . SER 2 2 15351 1 . MET 3 3 15351 1 . ALA 4 4 15351 1 . GLU 5 5 15351 1 . GLU 6 6 15351 1 . VAL 7 7 15351 1 . VAL 8 8 15351 1 . VAL 9 9 15351 1 . VAL 10 10 15351 1 . ALA 11 11 15351 1 . LYS 12 12 15351 1 . PHE 13 13 15351 1 . ASP 14 14 15351 1 . TYR 15 15 15351 1 . VAL 16 16 15351 1 . ALA 17 17 15351 1 . GLN 18 18 15351 1 . GLN 19 19 15351 1 . GLU 20 20 15351 1 . GLN 21 21 15351 1 . GLU 22 22 15351 1 . LEU 23 23 15351 1 . ASP 24 24 15351 1 . ILE 25 25 15351 1 . LYS 26 26 15351 1 . LYS 27 27 15351 1 . ASN 28 28 15351 1 . GLU 29 29 15351 1 . ARG 30 30 15351 1 . LEU 31 31 15351 1 . TRP 32 32 15351 1 . LEU 33 33 15351 1 . LEU 34 34 15351 1 . ASP 35 35 15351 1 . ASP 36 36 15351 1 . SER 37 37 15351 1 . LYS 38 38 15351 1 . SER 39 39 15351 1 . TRP 40 40 15351 1 . TRP 41 41 15351 1 . ARG 42 42 15351 1 . VAL 43 43 15351 1 . ARG 44 44 15351 1 . ASN 45 45 15351 1 . SER 46 46 15351 1 . MET 47 47 15351 1 . ASN 48 48 15351 1 . LYS 49 49 15351 1 . THR 50 50 15351 1 . GLY 51 51 15351 1 . PHE 52 52 15351 1 . VAL 53 53 15351 1 . PRO 54 54 15351 1 . SER 55 55 15351 1 . ASN 56 56 15351 1 . TYR 57 57 15351 1 . VAL 58 58 15351 1 . GLU 59 59 15351 1 . ARG 60 60 15351 1 . LYS 61 61 15351 1 . ASN 62 62 15351 1 . SER 63 63 15351 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 15351 _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 $Nck1-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . nck1 . . . . 15351 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 15351 _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 $Nck1-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pGEV2 . . . . . . 15351 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15351 _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 Nck1-1 '[U-99% 13C; U-99% 15N]' . . 1 $Nck1-1 . . . 0.5 1.0 mM . . . . 15351 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15351 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15351 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 15351 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15351 1 6 H2O . . . . . . . 90 . . % . . . . 15351 1 7 D2O . . . . . . . 10 . . % . . . . 15351 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 15351 _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 20 mM 15351 1 pH 6.1 0.2 pH 15351 1 pressure 1 . atm 15351 1 temperature 310 . K 15351 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15351 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15351 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15351 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15351 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15351 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15351 2 'data analysis' 15351 2 'peak picking' 15351 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15351 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15351 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15351 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15351 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15351 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'water refinement' 15351 4 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 15351 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15351 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15351 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15351 _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 Varian INOVA . 600 . . . 15351 1 2 spectrometer_2 Varian INOVA . 500 . . . 15351 1 3 spectrometer_3 Bruker Avance . 600 . . . 15351 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 15351 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15351 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15351 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15351 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15351 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15351 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15351 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15351 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15351 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15351 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15351 1 11 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15351 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 15351 _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 . . . . . . . . . 15351 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15351 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15351 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 15351 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 '3D 1H-15N NOESY' . . . 15351 1 2 '3D 1H-13C NOESY' . . . 15351 1 3 '2D 1H-1H NOESY' . . . 15351 1 4 '2D 1H-15N HSQC' . . . 15351 1 5 '2D 1H-13C HSQC' . . . 15351 1 6 '3D HNCO' . . . 15351 1 7 '3D HNCACB' . . . 15351 1 8 '3D CBCA(CO)NH' . . . 15351 1 9 '3D H(CCO)NH' . . . 15351 1 10 '3D HCCH-TOCSY' . . . 15351 1 11 '3D HNHB' . . . 15351 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 15351 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 HA H 1 4.506 0.020 . 1 . . . . 2 SER HA . 15351 1 2 . 1 1 2 2 SER HB2 H 1 3.867 0.020 . 2 . . . . 2 SER HB2 . 15351 1 3 . 1 1 2 2 SER HB3 H 1 3.867 0.020 . 2 . . . . 2 SER HB3 . 15351 1 4 . 1 1 2 2 SER C C 13 174.490 0.400 . 1 . . . . 2 SER C . 15351 1 5 . 1 1 2 2 SER CA C 13 58.350 0.400 . 1 . . . . 2 SER CA . 15351 1 6 . 1 1 2 2 SER CB C 13 64.014 0.400 . 1 . . . . 2 SER CB . 15351 1 7 . 1 1 3 3 MET H H 1 8.445 0.020 . 1 . . . . 3 MET HN . 15351 1 8 . 1 1 3 3 MET HA H 1 4.483 0.020 . 1 . . . . 3 MET HA . 15351 1 9 . 1 1 3 3 MET HB2 H 1 2.104 0.020 . 2 . . . . 3 MET HB2 . 15351 1 10 . 1 1 3 3 MET HB3 H 1 2.000 0.020 . 2 . . . . 3 MET HB3 . 15351 1 11 . 1 1 3 3 MET HG2 H 1 2.586 0.020 . 2 . . . . 3 MET HG2 . 15351 1 12 . 1 1 3 3 MET HG3 H 1 2.535 0.020 . 2 . . . . 3 MET HG3 . 15351 1 13 . 1 1 3 3 MET C C 13 175.818 0.400 . 1 . . . . 3 MET C . 15351 1 14 . 1 1 3 3 MET CA C 13 55.608 0.400 . 1 . . . . 3 MET CA . 15351 1 15 . 1 1 3 3 MET CB C 13 32.991 0.400 . 1 . . . . 3 MET CB . 15351 1 16 . 1 1 3 3 MET CG C 13 32.118 0.400 . 1 . . . . 3 MET CG . 15351 1 17 . 1 1 3 3 MET N N 15 122.226 0.400 . 1 . . . . 3 MET N . 15351 1 18 . 1 1 4 4 ALA H H 1 8.261 0.020 . 1 . . . . 4 ALA HN . 15351 1 19 . 1 1 4 4 ALA HA H 1 4.303 0.020 . 1 . . . . 4 ALA HA . 15351 1 20 . 1 1 4 4 ALA HB1 H 1 1.369 0.020 . 1 . . . . 4 ALA HB . 15351 1 21 . 1 1 4 4 ALA HB2 H 1 1.369 0.020 . 1 . . . . 4 ALA HB . 15351 1 22 . 1 1 4 4 ALA HB3 H 1 1.369 0.020 . 1 . . . . 4 ALA HB . 15351 1 23 . 1 1 4 4 ALA C C 13 177.318 0.400 . 1 . . . . 4 ALA C . 15351 1 24 . 1 1 4 4 ALA CA C 13 52.656 0.400 . 1 . . . . 4 ALA CA . 15351 1 25 . 1 1 4 4 ALA CB C 13 19.138 0.400 . 1 . . . . 4 ALA CB . 15351 1 26 . 1 1 4 4 ALA N N 15 124.992 0.400 . 1 . . . . 4 ALA N . 15351 1 27 . 1 1 5 5 GLU H H 1 8.123 0.020 . 1 . . . . 5 GLU HN . 15351 1 28 . 1 1 5 5 GLU HA H 1 4.296 0.020 . 1 . . . . 5 GLU HA . 15351 1 29 . 1 1 5 5 GLU HB2 H 1 2.032 0.020 . 2 . . . . 5 GLU HB2 . 15351 1 30 . 1 1 5 5 GLU HB3 H 1 1.926 0.020 . 2 . . . . 5 GLU HB3 . 15351 1 31 . 1 1 5 5 GLU HG2 H 1 2.240 0.020 . 2 . . . . 5 GLU HG2 . 15351 1 32 . 1 1 5 5 GLU HG3 H 1 2.240 0.020 . 2 . . . . 5 GLU HG3 . 15351 1 33 . 1 1 5 5 GLU C C 13 176.094 0.400 . 1 . . . . 5 GLU C . 15351 1 34 . 1 1 5 5 GLU CA C 13 56.284 0.400 . 1 . . . . 5 GLU CA . 15351 1 35 . 1 1 5 5 GLU CB C 13 30.640 0.400 . 1 . . . . 5 GLU CB . 15351 1 36 . 1 1 5 5 GLU CG C 13 36.344 0.400 . 1 . . . . 5 GLU CG . 15351 1 37 . 1 1 5 5 GLU N N 15 119.435 0.400 . 1 . . . . 5 GLU N . 15351 1 38 . 1 1 6 6 GLU H H 1 8.352 0.020 . 1 . . . . 6 GLU HN . 15351 1 39 . 1 1 6 6 GLU HA H 1 4.438 0.020 . 1 . . . . 6 GLU HA . 15351 1 40 . 1 1 6 6 GLU HB2 H 1 2.090 0.020 . 2 . . . . 6 GLU HB2 . 15351 1 41 . 1 1 6 6 GLU HB3 H 1 2.022 0.020 . 2 . . . . 6 GLU HB3 . 15351 1 42 . 1 1 6 6 GLU HG2 H 1 2.242 0.020 . 2 . . . . 6 GLU HG2 . 15351 1 43 . 1 1 6 6 GLU HG3 H 1 2.242 0.020 . 2 . . . . 6 GLU HG3 . 15351 1 44 . 1 1 6 6 GLU C C 13 175.915 0.400 . 1 . . . . 6 GLU C . 15351 1 45 . 1 1 6 6 GLU CA C 13 56.477 0.400 . 1 . . . . 6 GLU CA . 15351 1 46 . 1 1 6 6 GLU CB C 13 30.861 0.400 . 1 . . . . 6 GLU CB . 15351 1 47 . 1 1 6 6 GLU CG C 13 36.528 0.400 . 1 . . . . 6 GLU CG . 15351 1 48 . 1 1 6 6 GLU N N 15 122.079 0.400 . 1 . . . . 6 GLU N . 15351 1 49 . 1 1 7 7 VAL H H 1 8.389 0.020 . 1 . . . . 7 VAL HN . 15351 1 50 . 1 1 7 7 VAL HA H 1 4.197 0.020 . 1 . . . . 7 VAL HA . 15351 1 51 . 1 1 7 7 VAL HB H 1 2.073 0.020 . 1 . . . . 7 VAL HB . 15351 1 52 . 1 1 7 7 VAL HG11 H 1 0.938 0.020 . 2 . . . . 7 VAL HG1 . 15351 1 53 . 1 1 7 7 VAL HG12 H 1 0.938 0.020 . 2 . . . . 7 VAL HG1 . 15351 1 54 . 1 1 7 7 VAL HG13 H 1 0.938 0.020 . 2 . . . . 7 VAL HG1 . 15351 1 55 . 1 1 7 7 VAL HG21 H 1 0.867 0.020 . 2 . . . . 7 VAL HG2 . 15351 1 56 . 1 1 7 7 VAL HG22 H 1 0.867 0.020 . 2 . . . . 7 VAL HG2 . 15351 1 57 . 1 1 7 7 VAL HG23 H 1 0.867 0.020 . 2 . . . . 7 VAL HG2 . 15351 1 58 . 1 1 7 7 VAL C C 13 174.610 0.400 . 1 . . . . 7 VAL C . 15351 1 59 . 1 1 7 7 VAL CA C 13 62.313 0.400 . 1 . . . . 7 VAL CA . 15351 1 60 . 1 1 7 7 VAL CB C 13 33.693 0.400 . 1 . . . . 7 VAL CB . 15351 1 61 . 1 1 7 7 VAL CG1 C 13 21.357 0.400 . 1 . . . . 7 VAL CG1 . 15351 1 62 . 1 1 7 7 VAL CG2 C 13 21.888 0.400 . 1 . . . . 7 VAL CG2 . 15351 1 63 . 1 1 7 7 VAL N N 15 123.069 0.400 . 1 . . . . 7 VAL N . 15351 1 64 . 1 1 8 8 VAL H H 1 8.300 0.020 . 1 . . . . 8 VAL HN . 15351 1 65 . 1 1 8 8 VAL HA H 1 4.419 0.020 . 1 . . . . 8 VAL HA . 15351 1 66 . 1 1 8 8 VAL HB H 1 1.769 0.020 . 1 . . . . 8 VAL HB . 15351 1 67 . 1 1 8 8 VAL HG11 H 1 0.586 0.020 . 1 . . . . 8 VAL HG1 . 15351 1 68 . 1 1 8 8 VAL HG12 H 1 0.586 0.020 . 1 . . . . 8 VAL HG1 . 15351 1 69 . 1 1 8 8 VAL HG13 H 1 0.586 0.020 . 1 . . . . 8 VAL HG1 . 15351 1 70 . 1 1 8 8 VAL HG21 H 1 0.604 0.020 . 1 . . . . 8 VAL HG2 . 15351 1 71 . 1 1 8 8 VAL HG22 H 1 0.604 0.020 . 1 . . . . 8 VAL HG2 . 15351 1 72 . 1 1 8 8 VAL HG23 H 1 0.604 0.020 . 1 . . . . 8 VAL HG2 . 15351 1 73 . 1 1 8 8 VAL C C 13 176.218 0.400 . 1 . . . . 8 VAL C . 15351 1 74 . 1 1 8 8 VAL CA C 13 61.982 0.400 . 1 . . . . 8 VAL CA . 15351 1 75 . 1 1 8 8 VAL CB C 13 32.984 0.400 . 1 . . . . 8 VAL CB . 15351 1 76 . 1 1 8 8 VAL CG1 C 13 21.192 0.400 . 1 . . . . 8 VAL CG1 . 15351 1 77 . 1 1 8 8 VAL CG2 C 13 21.827 0.400 . 1 . . . . 8 VAL CG2 . 15351 1 78 . 1 1 8 8 VAL N N 15 126.878 0.400 . 1 . . . . 8 VAL N . 15351 1 79 . 1 1 9 9 VAL H H 1 8.847 0.020 . 1 . . . . 9 VAL HN . 15351 1 80 . 1 1 9 9 VAL HA H 1 4.983 0.020 . 1 . . . . 9 VAL HA . 15351 1 81 . 1 1 9 9 VAL HB H 1 1.989 0.020 . 1 . . . . 9 VAL HB . 15351 1 82 . 1 1 9 9 VAL HG11 H 1 0.918 0.020 . 1 . . . . 9 VAL HG1 . 15351 1 83 . 1 1 9 9 VAL HG12 H 1 0.918 0.020 . 1 . . . . 9 VAL HG1 . 15351 1 84 . 1 1 9 9 VAL HG13 H 1 0.918 0.020 . 1 . . . . 9 VAL HG1 . 15351 1 85 . 1 1 9 9 VAL HG21 H 1 0.708 0.020 . 1 . . . . 9 VAL HG2 . 15351 1 86 . 1 1 9 9 VAL HG22 H 1 0.708 0.020 . 1 . . . . 9 VAL HG2 . 15351 1 87 . 1 1 9 9 VAL HG23 H 1 0.708 0.020 . 1 . . . . 9 VAL HG2 . 15351 1 88 . 1 1 9 9 VAL C C 13 173.424 0.400 . 1 . . . . 9 VAL C . 15351 1 89 . 1 1 9 9 VAL CA C 13 58.271 0.400 . 1 . . . . 9 VAL CA . 15351 1 90 . 1 1 9 9 VAL CB C 13 35.366 0.400 . 1 . . . . 9 VAL CB . 15351 1 91 . 1 1 9 9 VAL CG1 C 13 23.306 0.400 . 1 . . . . 9 VAL CG1 . 15351 1 92 . 1 1 9 9 VAL CG2 C 13 19.740 0.400 . 1 . . . . 9 VAL CG2 . 15351 1 93 . 1 1 9 9 VAL N N 15 119.355 0.400 . 1 . . . . 9 VAL N . 15351 1 94 . 1 1 10 10 VAL H H 1 8.572 0.020 . 1 . . . . 10 VAL HN . 15351 1 95 . 1 1 10 10 VAL HA H 1 5.010 0.020 . 1 . . . . 10 VAL HA . 15351 1 96 . 1 1 10 10 VAL HB H 1 1.735 0.020 . 1 . . . . 10 VAL HB . 15351 1 97 . 1 1 10 10 VAL HG11 H 1 0.770 0.020 . 2 . . . . 10 VAL HG1 . 15351 1 98 . 1 1 10 10 VAL HG12 H 1 0.770 0.020 . 2 . . . . 10 VAL HG1 . 15351 1 99 . 1 1 10 10 VAL HG13 H 1 0.770 0.020 . 2 . . . . 10 VAL HG1 . 15351 1 100 . 1 1 10 10 VAL HG21 H 1 0.770 0.020 . 2 . . . . 10 VAL HG2 . 15351 1 101 . 1 1 10 10 VAL HG22 H 1 0.770 0.020 . 2 . . . . 10 VAL HG2 . 15351 1 102 . 1 1 10 10 VAL HG23 H 1 0.770 0.020 . 2 . . . . 10 VAL HG2 . 15351 1 103 . 1 1 10 10 VAL C C 13 176.616 0.400 . 1 . . . . 10 VAL C . 15351 1 104 . 1 1 10 10 VAL CA C 13 59.701 0.400 . 1 . . . . 10 VAL CA . 15351 1 105 . 1 1 10 10 VAL CB C 13 35.271 0.400 . 1 . . . . 10 VAL CB . 15351 1 106 . 1 1 10 10 VAL CG1 C 13 21.190 0.400 . 1 . . . . 10 VAL CG1 . 15351 1 107 . 1 1 10 10 VAL CG2 C 13 21.188 0.400 . 1 . . . . 10 VAL CG2 . 15351 1 108 . 1 1 10 10 VAL N N 15 118.586 0.400 . 1 . . . . 10 VAL N . 15351 1 109 . 1 1 11 11 ALA H H 1 8.717 0.020 . 1 . . . . 11 ALA HN . 15351 1 110 . 1 1 11 11 ALA HA H 1 4.575 0.020 . 1 . . . . 11 ALA HA . 15351 1 111 . 1 1 11 11 ALA HB1 H 1 1.591 0.020 . 1 . . . . 11 ALA HB . 15351 1 112 . 1 1 11 11 ALA HB2 H 1 1.591 0.020 . 1 . . . . 11 ALA HB . 15351 1 113 . 1 1 11 11 ALA HB3 H 1 1.591 0.020 . 1 . . . . 11 ALA HB . 15351 1 114 . 1 1 11 11 ALA C C 13 178.451 0.400 . 1 . . . . 11 ALA C . 15351 1 115 . 1 1 11 11 ALA CA C 13 52.742 0.400 . 1 . . . . 11 ALA CA . 15351 1 116 . 1 1 11 11 ALA CB C 13 19.987 0.400 . 1 . . . . 11 ALA CB . 15351 1 117 . 1 1 11 11 ALA N N 15 128.321 0.400 . 1 . . . . 11 ALA N . 15351 1 118 . 1 1 12 12 LYS H H 1 9.322 0.020 . 1 . . . . 12 LYS HN . 15351 1 119 . 1 1 12 12 LYS HA H 1 3.870 0.020 . 1 . . . . 12 LYS HA . 15351 1 120 . 1 1 12 12 LYS HB2 H 1 0.896 0.020 . 2 . . . . 12 LYS HB2 . 15351 1 121 . 1 1 12 12 LYS HB3 H 1 0.798 0.020 . 2 . . . . 12 LYS HB3 . 15351 1 122 . 1 1 12 12 LYS HD2 H 1 1.345 0.020 . 2 . . . . 12 LYS HD2 . 15351 1 123 . 1 1 12 12 LYS HD3 H 1 1.293 0.020 . 2 . . . . 12 LYS HD3 . 15351 1 124 . 1 1 12 12 LYS HE2 H 1 2.570 0.020 . 2 . . . . 12 LYS HE2 . 15351 1 125 . 1 1 12 12 LYS HE3 H 1 2.570 0.020 . 2 . . . . 12 LYS HE3 . 15351 1 126 . 1 1 12 12 LYS HG2 H 1 0.970 0.020 . 2 . . . . 12 LYS HG2 . 15351 1 127 . 1 1 12 12 LYS HG3 H 1 0.970 0.020 . 2 . . . . 12 LYS HG3 . 15351 1 128 . 1 1 12 12 LYS C C 13 174.646 0.400 . 1 . . . . 12 LYS C . 15351 1 129 . 1 1 12 12 LYS CA C 13 57.358 0.400 . 1 . . . . 12 LYS CA . 15351 1 130 . 1 1 12 12 LYS CB C 13 33.957 0.400 . 1 . . . . 12 LYS CB . 15351 1 131 . 1 1 12 12 LYS CD C 13 29.050 0.400 . 1 . . . . 12 LYS CD . 15351 1 132 . 1 1 12 12 LYS CE C 13 41.398 0.400 . 1 . . . . 12 LYS CE . 15351 1 133 . 1 1 12 12 LYS CG C 13 29.433 0.400 . 1 . . . . 12 LYS CG . 15351 1 134 . 1 1 12 12 LYS N N 15 126.342 0.400 . 1 . . . . 12 LYS N . 15351 1 135 . 1 1 13 13 PHE H H 1 7.136 0.020 . 1 . . . . 13 PHE HN . 15351 1 136 . 1 1 13 13 PHE HA H 1 4.783 0.020 . 1 . . . . 13 PHE HA . 15351 1 137 . 1 1 13 13 PHE HB2 H 1 2.506 0.020 . 1 . . . . 13 PHE HB2 . 15351 1 138 . 1 1 13 13 PHE HB3 H 1 3.347 0.020 . 1 . . . . 13 PHE HB3 . 15351 1 139 . 1 1 13 13 PHE HD1 H 1 6.768 0.020 . 1 . . . . 13 PHE HD1 . 15351 1 140 . 1 1 13 13 PHE HD2 H 1 6.768 0.020 . 1 . . . . 13 PHE HD2 . 15351 1 141 . 1 1 13 13 PHE HE1 H 1 7.078 0.020 . 1 . . . . 13 PHE HE1 . 15351 1 142 . 1 1 13 13 PHE HE2 H 1 7.078 0.020 . 1 . . . . 13 PHE HE2 . 15351 1 143 . 1 1 13 13 PHE HZ H 1 6.948 0.020 . 1 . . . . 13 PHE HZ . 15351 1 144 . 1 1 13 13 PHE C C 13 173.489 0.400 . 1 . . . . 13 PHE C . 15351 1 145 . 1 1 13 13 PHE CA C 13 53.769 0.400 . 1 . . . . 13 PHE CA . 15351 1 146 . 1 1 13 13 PHE CB C 13 43.743 0.400 . 1 . . . . 13 PHE CB . 15351 1 147 . 1 1 13 13 PHE CD1 C 13 132.670 0.400 . 1 . . . . 13 PHE CD1 . 15351 1 148 . 1 1 13 13 PHE CD2 C 13 132.671 0.400 . 1 . . . . 13 PHE CD2 . 15351 1 149 . 1 1 13 13 PHE CE1 C 13 130.880 0.400 . 1 . . . . 13 PHE CE1 . 15351 1 150 . 1 1 13 13 PHE CE2 C 13 130.881 0.400 . 1 . . . . 13 PHE CE2 . 15351 1 151 . 1 1 13 13 PHE CZ C 13 132.230 0.400 . 1 . . . . 13 PHE CZ . 15351 1 152 . 1 1 13 13 PHE N N 15 111.722 0.400 . 1 . . . . 13 PHE N . 15351 1 153 . 1 1 14 14 ASP H H 1 8.261 0.020 . 1 . . . . 14 ASP HN . 15351 1 154 . 1 1 14 14 ASP HA H 1 4.808 0.020 . 1 . . . . 14 ASP HA . 15351 1 155 . 1 1 14 14 ASP HB2 H 1 2.621 0.020 . 1 . . . . 14 ASP HB2 . 15351 1 156 . 1 1 14 14 ASP HB3 H 1 2.757 0.020 . 1 . . . . 14 ASP HB3 . 15351 1 157 . 1 1 14 14 ASP C C 13 176.270 0.400 . 1 . . . . 14 ASP C . 15351 1 158 . 1 1 14 14 ASP CA C 13 54.655 0.400 . 1 . . . . 14 ASP CA . 15351 1 159 . 1 1 14 14 ASP CB C 13 41.629 0.400 . 1 . . . . 14 ASP CB . 15351 1 160 . 1 1 14 14 ASP N N 15 117.174 0.400 . 1 . . . . 14 ASP N . 15351 1 161 . 1 1 15 15 TYR H H 1 8.835 0.020 . 1 . . . . 15 TYR HN . 15351 1 162 . 1 1 15 15 TYR HA H 1 4.728 0.020 . 1 . . . . 15 TYR HA . 15351 1 163 . 1 1 15 15 TYR HB2 H 1 2.950 0.020 . 2 . . . . 15 TYR HB2 . 15351 1 164 . 1 1 15 15 TYR HB3 H 1 2.910 0.020 . 2 . . . . 15 TYR HB3 . 15351 1 165 . 1 1 15 15 TYR HD1 H 1 7.080 0.020 . 1 . . . . 15 TYR HD1 . 15351 1 166 . 1 1 15 15 TYR HD2 H 1 7.080 0.020 . 1 . . . . 15 TYR HD2 . 15351 1 167 . 1 1 15 15 TYR HE1 H 1 6.880 0.020 . 1 . . . . 15 TYR HE1 . 15351 1 168 . 1 1 15 15 TYR HE2 H 1 6.880 0.020 . 1 . . . . 15 TYR HE2 . 15351 1 169 . 1 1 15 15 TYR C C 13 173.640 0.400 . 1 . . . . 15 TYR C . 15351 1 170 . 1 1 15 15 TYR CA C 13 59.438 0.400 . 1 . . . . 15 TYR CA . 15351 1 171 . 1 1 15 15 TYR CB C 13 41.606 0.400 . 1 . . . . 15 TYR CB . 15351 1 172 . 1 1 15 15 TYR CD1 C 13 132.850 0.400 . 1 . . . . 15 TYR CD1 . 15351 1 173 . 1 1 15 15 TYR CD2 C 13 132.851 0.400 . 1 . . . . 15 TYR CD2 . 15351 1 174 . 1 1 15 15 TYR CE1 C 13 117.670 0.400 . 1 . . . . 15 TYR CE1 . 15351 1 175 . 1 1 15 15 TYR CE2 C 13 117.671 0.400 . 1 . . . . 15 TYR CE2 . 15351 1 176 . 1 1 15 15 TYR N N 15 121.041 0.400 . 1 . . . . 15 TYR N . 15351 1 177 . 1 1 16 16 VAL H H 1 7.101 0.020 . 1 . . . . 16 VAL HN . 15351 1 178 . 1 1 16 16 VAL HA H 1 4.160 0.020 . 1 . . . . 16 VAL HA . 15351 1 179 . 1 1 16 16 VAL HB H 1 1.605 0.020 . 1 . . . . 16 VAL HB . 15351 1 180 . 1 1 16 16 VAL HG11 H 1 0.802 0.020 . 1 . . . . 16 VAL HG1 . 15351 1 181 . 1 1 16 16 VAL HG12 H 1 0.802 0.020 . 1 . . . . 16 VAL HG1 . 15351 1 182 . 1 1 16 16 VAL HG13 H 1 0.802 0.020 . 1 . . . . 16 VAL HG1 . 15351 1 183 . 1 1 16 16 VAL HG21 H 1 0.848 0.020 . 1 . . . . 16 VAL HG2 . 15351 1 184 . 1 1 16 16 VAL HG22 H 1 0.848 0.020 . 1 . . . . 16 VAL HG2 . 15351 1 185 . 1 1 16 16 VAL HG23 H 1 0.848 0.020 . 1 . . . . 16 VAL HG2 . 15351 1 186 . 1 1 16 16 VAL C C 13 174.430 0.400 . 1 . . . . 16 VAL C . 15351 1 187 . 1 1 16 16 VAL CA C 13 60.679 0.400 . 1 . . . . 16 VAL CA . 15351 1 188 . 1 1 16 16 VAL CB C 13 32.472 0.400 . 1 . . . . 16 VAL CB . 15351 1 189 . 1 1 16 16 VAL CG1 C 13 20.740 0.400 . 1 . . . . 16 VAL CG1 . 15351 1 190 . 1 1 16 16 VAL CG2 C 13 20.735 0.400 . 1 . . . . 16 VAL CG2 . 15351 1 191 . 1 1 16 16 VAL N N 15 129.116 0.400 . 1 . . . . 16 VAL N . 15351 1 192 . 1 1 17 17 ALA H H 1 8.625 0.020 . 1 . . . . 17 ALA HN . 15351 1 193 . 1 1 17 17 ALA HA H 1 4.204 0.020 . 1 . . . . 17 ALA HA . 15351 1 194 . 1 1 17 17 ALA HB1 H 1 1.290 0.020 . 1 . . . . 17 ALA HB . 15351 1 195 . 1 1 17 17 ALA HB2 H 1 1.290 0.020 . 1 . . . . 17 ALA HB . 15351 1 196 . 1 1 17 17 ALA HB3 H 1 1.290 0.020 . 1 . . . . 17 ALA HB . 15351 1 197 . 1 1 17 17 ALA C C 13 178.947 0.400 . 1 . . . . 17 ALA C . 15351 1 198 . 1 1 17 17 ALA CA C 13 53.276 0.400 . 1 . . . . 17 ALA CA . 15351 1 199 . 1 1 17 17 ALA CB C 13 19.878 0.400 . 1 . . . . 17 ALA CB . 15351 1 200 . 1 1 17 17 ALA N N 15 128.849 0.400 . 1 . . . . 17 ALA N . 15351 1 201 . 1 1 18 18 GLN H H 1 9.036 0.020 . 1 . . . . 18 GLN HN . 15351 1 202 . 1 1 18 18 GLN HA H 1 4.310 0.020 . 1 . . . . 18 GLN HA . 15351 1 203 . 1 1 18 18 GLN HB2 H 1 2.319 0.020 . 2 . . . . 18 GLN HB2 . 15351 1 204 . 1 1 18 18 GLN HB3 H 1 2.191 0.020 . 2 . . . . 18 GLN HB3 . 15351 1 205 . 1 1 18 18 GLN HE21 H 1 7.381 0.020 . 2 . . . . 18 GLN HE21 . 15351 1 206 . 1 1 18 18 GLN HE22 H 1 6.837 0.020 . 2 . . . . 18 GLN HE22 . 15351 1 207 . 1 1 18 18 GLN HG2 H 1 2.546 0.020 . 2 . . . . 18 GLN HG2 . 15351 1 208 . 1 1 18 18 GLN HG3 H 1 2.474 0.020 . 2 . . . . 18 GLN HG3 . 15351 1 209 . 1 1 18 18 GLN C C 13 175.480 0.400 . 1 . . . . 18 GLN C . 15351 1 210 . 1 1 18 18 GLN CA C 13 55.210 0.400 . 1 . . . . 18 GLN CA . 15351 1 211 . 1 1 18 18 GLN CB C 13 31.110 0.400 . 1 . . . . 18 GLN CB . 15351 1 212 . 1 1 18 18 GLN CG C 13 34.067 0.400 . 1 . . . . 18 GLN CG . 15351 1 213 . 1 1 18 18 GLN N N 15 120.041 0.400 . 1 . . . . 18 GLN N . 15351 1 214 . 1 1 18 18 GLN NE2 N 15 113.730 0.400 . 1 . . . . 18 GLN NE2 . 15351 1 215 . 1 1 19 19 GLN H H 1 7.233 0.020 . 1 . . . . 19 GLN HN . 15351 1 216 . 1 1 19 19 GLN HA H 1 4.593 0.020 . 1 . . . . 19 GLN HA . 15351 1 217 . 1 1 19 19 GLN HB2 H 1 2.346 0.020 . 1 . . . . 19 GLN HB2 . 15351 1 218 . 1 1 19 19 GLN HB3 H 1 1.752 0.020 . 1 . . . . 19 GLN HB3 . 15351 1 219 . 1 1 19 19 GLN HG2 H 1 2.257 0.020 . 2 . . . . 19 GLN HG2 . 15351 1 220 . 1 1 19 19 GLN HG3 H 1 2.220 0.020 . 2 . . . . 19 GLN HG3 . 15351 1 221 . 1 1 19 19 GLN C C 13 176.728 0.400 . 1 . . . . 19 GLN C . 15351 1 222 . 1 1 19 19 GLN CA C 13 54.032 0.400 . 1 . . . . 19 GLN CA . 15351 1 223 . 1 1 19 19 GLN CB C 13 32.346 0.400 . 1 . . . . 19 GLN CB . 15351 1 224 . 1 1 19 19 GLN CG C 13 33.281 0.400 . 1 . . . . 19 GLN CG . 15351 1 225 . 1 1 19 19 GLN N N 15 114.524 0.400 . 1 . . . . 19 GLN N . 15351 1 226 . 1 1 20 20 GLU H H 1 8.915 0.020 . 1 . . . . 20 GLU HN . 15351 1 227 . 1 1 20 20 GLU HA H 1 4.101 0.020 . 1 . . . . 20 GLU HA . 15351 1 228 . 1 1 20 20 GLU HB2 H 1 2.093 0.020 . 2 . . . . 20 GLU HB2 . 15351 1 229 . 1 1 20 20 GLU HB3 H 1 2.093 0.020 . 2 . . . . 20 GLU HB3 . 15351 1 230 . 1 1 20 20 GLU HG2 H 1 2.345 0.020 . 2 . . . . 20 GLU HG2 . 15351 1 231 . 1 1 20 20 GLU HG3 H 1 2.345 0.020 . 2 . . . . 20 GLU HG3 . 15351 1 232 . 1 1 20 20 GLU C C 13 176.823 0.400 . 1 . . . . 20 GLU C . 15351 1 233 . 1 1 20 20 GLU CA C 13 59.362 0.400 . 1 . . . . 20 GLU CA . 15351 1 234 . 1 1 20 20 GLU CB C 13 29.822 0.400 . 1 . . . . 20 GLU CB . 15351 1 235 . 1 1 20 20 GLU CG C 13 36.277 0.400 . 1 . . . . 20 GLU CG . 15351 1 236 . 1 1 20 20 GLU N N 15 121.338 0.400 . 1 . . . . 20 GLU N . 15351 1 237 . 1 1 21 21 GLN H H 1 8.391 0.020 . 1 . . . . 21 GLN HN . 15351 1 238 . 1 1 21 21 GLN HA H 1 4.529 0.020 . 1 . . . . 21 GLN HA . 15351 1 239 . 1 1 21 21 GLN HB2 H 1 2.419 0.020 . 2 . . . . 21 GLN HB2 . 15351 1 240 . 1 1 21 21 GLN HB3 H 1 2.289 0.020 . 2 . . . . 21 GLN HB3 . 15351 1 241 . 1 1 21 21 GLN HG2 H 1 2.375 0.020 . 2 . . . . 21 GLN HG2 . 15351 1 242 . 1 1 21 21 GLN HG3 H 1 2.375 0.020 . 2 . . . . 21 GLN HG3 . 15351 1 243 . 1 1 21 21 GLN C C 13 176.543 0.400 . 1 . . . . 21 GLN C . 15351 1 244 . 1 1 21 21 GLN CA C 13 56.702 0.400 . 1 . . . . 21 GLN CA . 15351 1 245 . 1 1 21 21 GLN CB C 13 28.089 0.400 . 1 . . . . 21 GLN CB . 15351 1 246 . 1 1 21 21 GLN CG C 13 33.943 0.400 . 1 . . . . 21 GLN CG . 15351 1 247 . 1 1 21 21 GLN N N 15 113.442 0.400 . 1 . . . . 21 GLN N . 15351 1 248 . 1 1 22 22 GLU H H 1 7.708 0.020 . 1 . . . . 22 GLU HN . 15351 1 249 . 1 1 22 22 GLU HA H 1 5.325 0.020 . 1 . . . . 22 GLU HA . 15351 1 250 . 1 1 22 22 GLU HB2 H 1 2.546 0.020 . 2 . . . . 22 GLU HB2 . 15351 1 251 . 1 1 22 22 GLU HB3 H 1 2.360 0.020 . 2 . . . . 22 GLU HB3 . 15351 1 252 . 1 1 22 22 GLU HG2 H 1 2.360 0.020 . 2 . . . . 22 GLU HG2 . 15351 1 253 . 1 1 22 22 GLU HG3 H 1 2.142 0.020 . 2 . . . . 22 GLU HG3 . 15351 1 254 . 1 1 22 22 GLU C C 13 174.695 0.400 . 1 . . . . 22 GLU C . 15351 1 255 . 1 1 22 22 GLU CA C 13 55.453 0.400 . 1 . . . . 22 GLU CA . 15351 1 256 . 1 1 22 22 GLU CB C 13 32.496 0.400 . 1 . . . . 22 GLU CB . 15351 1 257 . 1 1 22 22 GLU CG C 13 37.377 0.400 . 1 . . . . 22 GLU CG . 15351 1 258 . 1 1 22 22 GLU N N 15 119.918 0.400 . 1 . . . . 22 GLU N . 15351 1 259 . 1 1 23 23 LEU H H 1 7.853 0.020 . 1 . . . . 23 LEU HN . 15351 1 260 . 1 1 23 23 LEU HA H 1 4.666 0.020 . 1 . . . . 23 LEU HA . 15351 1 261 . 1 1 23 23 LEU HB2 H 1 1.552 0.020 . 2 . . . . 23 LEU HB2 . 15351 1 262 . 1 1 23 23 LEU HB3 H 1 0.790 0.020 . 2 . . . . 23 LEU HB3 . 15351 1 263 . 1 1 23 23 LEU HD11 H 1 0.757 0.020 . 1 . . . . 23 LEU HD1 . 15351 1 264 . 1 1 23 23 LEU HD12 H 1 0.757 0.020 . 1 . . . . 23 LEU HD1 . 15351 1 265 . 1 1 23 23 LEU HD13 H 1 0.757 0.020 . 1 . . . . 23 LEU HD1 . 15351 1 266 . 1 1 23 23 LEU HD21 H 1 0.653 0.020 . 1 . . . . 23 LEU HD2 . 15351 1 267 . 1 1 23 23 LEU HD22 H 1 0.653 0.020 . 1 . . . . 23 LEU HD2 . 15351 1 268 . 1 1 23 23 LEU HD23 H 1 0.653 0.020 . 1 . . . . 23 LEU HD2 . 15351 1 269 . 1 1 23 23 LEU HG H 1 1.601 0.020 . 1 . . . . 23 LEU HG . 15351 1 270 . 1 1 23 23 LEU C C 13 174.275 0.400 . 1 . . . . 23 LEU C . 15351 1 271 . 1 1 23 23 LEU CA C 13 53.227 0.400 . 1 . . . . 23 LEU CA . 15351 1 272 . 1 1 23 23 LEU CB C 13 46.455 0.400 . 1 . . . . 23 LEU CB . 15351 1 273 . 1 1 23 23 LEU CD1 C 13 24.289 0.400 . 1 . . . . 23 LEU CD1 . 15351 1 274 . 1 1 23 23 LEU CD2 C 13 26.134 0.400 . 1 . . . . 23 LEU CD2 . 15351 1 275 . 1 1 23 23 LEU CG C 13 26.263 0.400 . 1 . . . . 23 LEU CG . 15351 1 276 . 1 1 23 23 LEU N N 15 122.082 0.400 . 1 . . . . 23 LEU N . 15351 1 277 . 1 1 24 24 ASP H H 1 7.555 0.020 . 1 . . . . 24 ASP HN . 15351 1 278 . 1 1 24 24 ASP HA H 1 5.143 0.020 . 1 . . . . 24 ASP HA . 15351 1 279 . 1 1 24 24 ASP HB2 H 1 2.713 0.020 . 2 . . . . 24 ASP HB2 . 15351 1 280 . 1 1 24 24 ASP HB3 H 1 2.549 0.020 . 2 . . . . 24 ASP HB3 . 15351 1 281 . 1 1 24 24 ASP C C 13 176.811 0.400 . 1 . . . . 24 ASP C . 15351 1 282 . 1 1 24 24 ASP CA C 13 54.206 0.400 . 1 . . . . 24 ASP CA . 15351 1 283 . 1 1 24 24 ASP CB C 13 42.407 0.400 . 1 . . . . 24 ASP CB . 15351 1 284 . 1 1 24 24 ASP N N 15 121.097 0.400 . 1 . . . . 24 ASP N . 15351 1 285 . 1 1 25 25 ILE H H 1 8.886 0.020 . 1 . . . . 25 ILE HN . 15351 1 286 . 1 1 25 25 ILE HA H 1 5.110 0.020 . 1 . . . . 25 ILE HA . 15351 1 287 . 1 1 25 25 ILE HB H 1 1.865 0.020 . 1 . . . . 25 ILE HB . 15351 1 288 . 1 1 25 25 ILE HD11 H 1 0.896 0.020 . 1 . . . . 25 ILE HD1 . 15351 1 289 . 1 1 25 25 ILE HD12 H 1 0.896 0.020 . 1 . . . . 25 ILE HD1 . 15351 1 290 . 1 1 25 25 ILE HD13 H 1 0.896 0.020 . 1 . . . . 25 ILE HD1 . 15351 1 291 . 1 1 25 25 ILE HG12 H 1 1.785 0.020 . 2 . . . . 25 ILE HG12 . 15351 1 292 . 1 1 25 25 ILE HG13 H 1 1.471 0.020 . 2 . . . . 25 ILE HG13 . 15351 1 293 . 1 1 25 25 ILE HG21 H 1 0.911 0.020 . 1 . . . . 25 ILE HG2 . 15351 1 294 . 1 1 25 25 ILE HG22 H 1 0.911 0.020 . 1 . . . . 25 ILE HG2 . 15351 1 295 . 1 1 25 25 ILE HG23 H 1 0.911 0.020 . 1 . . . . 25 ILE HG2 . 15351 1 296 . 1 1 25 25 ILE C C 13 175.142 0.400 . 1 . . . . 25 ILE C . 15351 1 297 . 1 1 25 25 ILE CA C 13 59.778 0.400 . 1 . . . . 25 ILE CA . 15351 1 298 . 1 1 25 25 ILE CB C 13 42.482 0.400 . 1 . . . . 25 ILE CB . 15351 1 299 . 1 1 25 25 ILE CD1 C 13 13.109 0.400 . 1 . . . . 25 ILE CD1 . 15351 1 300 . 1 1 25 25 ILE CG1 C 13 25.980 0.400 . 1 . . . . 25 ILE CG1 . 15351 1 301 . 1 1 25 25 ILE CG2 C 13 19.165 0.400 . 1 . . . . 25 ILE CG2 . 15351 1 302 . 1 1 25 25 ILE N N 15 115.761 0.400 . 1 . . . . 25 ILE N . 15351 1 303 . 1 1 26 26 LYS H H 1 8.900 0.020 . 1 . . . . 26 LYS HN . 15351 1 304 . 1 1 26 26 LYS HA H 1 5.099 0.020 . 1 . . . . 26 LYS HA . 15351 1 305 . 1 1 26 26 LYS HB2 H 1 1.778 0.020 . 2 . . . . 26 LYS HB2 . 15351 1 306 . 1 1 26 26 LYS HB3 H 1 1.697 0.020 . 2 . . . . 26 LYS HB3 . 15351 1 307 . 1 1 26 26 LYS HD2 H 1 1.679 0.020 . 2 . . . . 26 LYS HD2 . 15351 1 308 . 1 1 26 26 LYS HD3 H 1 1.679 0.020 . 2 . . . . 26 LYS HD3 . 15351 1 309 . 1 1 26 26 LYS HE2 H 1 2.996 0.020 . 2 . . . . 26 LYS HE2 . 15351 1 310 . 1 1 26 26 LYS HE3 H 1 2.996 0.020 . 2 . . . . 26 LYS HE3 . 15351 1 311 . 1 1 26 26 LYS HG2 H 1 1.465 0.020 . 2 . . . . 26 LYS HG2 . 15351 1 312 . 1 1 26 26 LYS HG3 H 1 1.465 0.020 . 2 . . . . 26 LYS HG3 . 15351 1 313 . 1 1 26 26 LYS C C 13 175.270 0.400 . 1 . . . . 26 LYS C . 15351 1 314 . 1 1 26 26 LYS CA C 13 53.001 0.400 . 1 . . . . 26 LYS CA . 15351 1 315 . 1 1 26 26 LYS CB C 13 35.341 0.400 . 1 . . . . 26 LYS CB . 15351 1 316 . 1 1 26 26 LYS CD C 13 28.868 0.400 . 1 . . . . 26 LYS CD . 15351 1 317 . 1 1 26 26 LYS CE C 13 41.993 0.400 . 1 . . . . 26 LYS CE . 15351 1 318 . 1 1 26 26 LYS CG C 13 24.584 0.400 . 1 . . . . 26 LYS CG . 15351 1 319 . 1 1 26 26 LYS N N 15 122.987 0.400 . 1 . . . . 26 LYS N . 15351 1 320 . 1 1 27 27 LYS H H 1 8.917 0.020 . 1 . . . . 27 LYS HN . 15351 1 321 . 1 1 27 27 LYS HA H 1 3.123 0.020 . 1 . . . . 27 LYS HA . 15351 1 322 . 1 1 27 27 LYS HB2 H 1 1.596 0.020 . 2 . . . . 27 LYS HB2 . 15351 1 323 . 1 1 27 27 LYS HB3 H 1 1.584 0.020 . 2 . . . . 27 LYS HB3 . 15351 1 324 . 1 1 27 27 LYS HD2 H 1 1.691 0.020 . 2 . . . . 27 LYS HD2 . 15351 1 325 . 1 1 27 27 LYS HD3 H 1 1.691 0.020 . 2 . . . . 27 LYS HD3 . 15351 1 326 . 1 1 27 27 LYS HE2 H 1 3.002 0.020 . 2 . . . . 27 LYS HE2 . 15351 1 327 . 1 1 27 27 LYS HE3 H 1 3.002 0.020 . 2 . . . . 27 LYS HE3 . 15351 1 328 . 1 1 27 27 LYS HG2 H 1 1.166 0.020 . 2 . . . . 27 LYS HG2 . 15351 1 329 . 1 1 27 27 LYS HG3 H 1 1.166 0.020 . 2 . . . . 27 LYS HG3 . 15351 1 330 . 1 1 27 27 LYS C C 13 176.931 0.400 . 1 . . . . 27 LYS C . 15351 1 331 . 1 1 27 27 LYS CA C 13 59.024 0.400 . 1 . . . . 27 LYS CA . 15351 1 332 . 1 1 27 27 LYS CB C 13 32.585 0.400 . 1 . . . . 27 LYS CB . 15351 1 333 . 1 1 27 27 LYS CD C 13 29.615 0.400 . 1 . . . . 27 LYS CD . 15351 1 334 . 1 1 27 27 LYS CE C 13 42.173 0.400 . 1 . . . . 27 LYS CE . 15351 1 335 . 1 1 27 27 LYS CG C 13 24.550 0.400 . 1 . . . . 27 LYS CG . 15351 1 336 . 1 1 27 27 LYS N N 15 121.187 0.400 . 1 . . . . 27 LYS N . 15351 1 337 . 1 1 28 28 ASN H H 1 8.666 0.020 . 1 . . . . 28 ASN HN . 15351 1 338 . 1 1 28 28 ASN HA H 1 4.161 0.020 . 1 . . . . 28 ASN HA . 15351 1 339 . 1 1 28 28 ASN HB2 H 1 3.288 0.020 . 2 . . . . 28 ASN HB2 . 15351 1 340 . 1 1 28 28 ASN HB3 H 1 2.956 0.020 . 2 . . . . 28 ASN HB3 . 15351 1 341 . 1 1 28 28 ASN HD21 H 1 7.542 0.020 . 2 . . . . 28 ASN HD21 . 15351 1 342 . 1 1 28 28 ASN HD22 H 1 6.905 0.020 . 2 . . . . 28 ASN HD22 . 15351 1 343 . 1 1 28 28 ASN C C 13 174.232 0.400 . 1 . . . . 28 ASN C . 15351 1 344 . 1 1 28 28 ASN CA C 13 55.843 0.400 . 1 . . . . 28 ASN CA . 15351 1 345 . 1 1 28 28 ASN CB C 13 37.404 0.400 . 1 . . . . 28 ASN CB . 15351 1 346 . 1 1 28 28 ASN N N 15 118.093 0.400 . 1 . . . . 28 ASN N . 15351 1 347 . 1 1 28 28 ASN ND2 N 15 113.140 0.400 . 1 . . . . 28 ASN ND2 . 15351 1 348 . 1 1 29 29 GLU H H 1 8.617 0.020 . 1 . . . . 29 GLU HN . 15351 1 349 . 1 1 29 29 GLU HA H 1 4.156 0.020 . 1 . . . . 29 GLU HA . 15351 1 350 . 1 1 29 29 GLU HB2 H 1 2.334 0.020 . 2 . . . . 29 GLU HB2 . 15351 1 351 . 1 1 29 29 GLU HB3 H 1 2.093 0.020 . 2 . . . . 29 GLU HB3 . 15351 1 352 . 1 1 29 29 GLU HG2 H 1 2.330 0.020 . 2 . . . . 29 GLU HG2 . 15351 1 353 . 1 1 29 29 GLU HG3 H 1 2.330 0.020 . 2 . . . . 29 GLU HG3 . 15351 1 354 . 1 1 29 29 GLU C C 13 175.091 0.400 . 1 . . . . 29 GLU C . 15351 1 355 . 1 1 29 29 GLU CA C 13 57.712 0.400 . 1 . . . . 29 GLU CA . 15351 1 356 . 1 1 29 29 GLU CB C 13 31.746 0.400 . 1 . . . . 29 GLU CB . 15351 1 357 . 1 1 29 29 GLU CG C 13 36.220 0.400 . 1 . . . . 29 GLU CG . 15351 1 358 . 1 1 29 29 GLU N N 15 123.988 0.400 . 1 . . . . 29 GLU N . 15351 1 359 . 1 1 30 30 ARG H H 1 8.379 0.020 . 1 . . . . 30 ARG HN . 15351 1 360 . 1 1 30 30 ARG HA H 1 4.585 0.020 . 1 . . . . 30 ARG HA . 15351 1 361 . 1 1 30 30 ARG HB2 H 1 1.643 0.020 . 2 . . . . 30 ARG HB2 . 15351 1 362 . 1 1 30 30 ARG HB3 H 1 1.473 0.020 . 2 . . . . 30 ARG HB3 . 15351 1 363 . 1 1 30 30 ARG HD2 H 1 3.032 0.020 . 2 . . . . 30 ARG HD2 . 15351 1 364 . 1 1 30 30 ARG HD3 H 1 3.032 0.020 . 2 . . . . 30 ARG HD3 . 15351 1 365 . 1 1 30 30 ARG HG2 H 1 1.213 0.020 . 2 . . . . 30 ARG HG2 . 15351 1 366 . 1 1 30 30 ARG HG3 H 1 1.162 0.020 . 2 . . . . 30 ARG HG3 . 15351 1 367 . 1 1 30 30 ARG C C 13 174.932 0.400 . 1 . . . . 30 ARG C . 15351 1 368 . 1 1 30 30 ARG CA C 13 56.071 0.400 . 1 . . . . 30 ARG CA . 15351 1 369 . 1 1 30 30 ARG CB C 13 30.827 0.400 . 1 . . . . 30 ARG CB . 15351 1 370 . 1 1 30 30 ARG CD C 13 43.375 0.400 . 1 . . . . 30 ARG CD . 15351 1 371 . 1 1 30 30 ARG CG C 13 28.234 0.400 . 1 . . . . 30 ARG CG . 15351 1 372 . 1 1 30 30 ARG N N 15 124.804 0.400 . 1 . . . . 30 ARG N . 15351 1 373 . 1 1 31 31 LEU H H 1 8.840 0.020 . 1 . . . . 31 LEU HN . 15351 1 374 . 1 1 31 31 LEU HA H 1 4.829 0.020 . 1 . . . . 31 LEU HA . 15351 1 375 . 1 1 31 31 LEU HB2 H 1 1.415 0.020 . 2 . . . . 31 LEU HB2 . 15351 1 376 . 1 1 31 31 LEU HB3 H 1 1.328 0.020 . 2 . . . . 31 LEU HB3 . 15351 1 377 . 1 1 31 31 LEU HD11 H 1 0.901 0.020 . 1 . . . . 31 LEU HD1 . 15351 1 378 . 1 1 31 31 LEU HD12 H 1 0.901 0.020 . 1 . . . . 31 LEU HD1 . 15351 1 379 . 1 1 31 31 LEU HD13 H 1 0.901 0.020 . 1 . . . . 31 LEU HD1 . 15351 1 380 . 1 1 31 31 LEU HD21 H 1 0.805 0.020 . 1 . . . . 31 LEU HD2 . 15351 1 381 . 1 1 31 31 LEU HD22 H 1 0.805 0.020 . 1 . . . . 31 LEU HD2 . 15351 1 382 . 1 1 31 31 LEU HD23 H 1 0.805 0.020 . 1 . . . . 31 LEU HD2 . 15351 1 383 . 1 1 31 31 LEU HG H 1 1.451 0.020 . 1 . . . . 31 LEU HG . 15351 1 384 . 1 1 31 31 LEU C C 13 174.331 0.400 . 1 . . . . 31 LEU C . 15351 1 385 . 1 1 31 31 LEU CA C 13 53.329 0.400 . 1 . . . . 31 LEU CA . 15351 1 386 . 1 1 31 31 LEU CB C 13 46.284 0.400 . 1 . . . . 31 LEU CB . 15351 1 387 . 1 1 31 31 LEU CD1 C 13 24.899 0.400 . 1 . . . . 31 LEU CD1 . 15351 1 388 . 1 1 31 31 LEU CD2 C 13 27.036 0.400 . 1 . . . . 31 LEU CD2 . 15351 1 389 . 1 1 31 31 LEU CG C 13 27.074 0.400 . 1 . . . . 31 LEU CG . 15351 1 390 . 1 1 31 31 LEU N N 15 125.418 0.400 . 1 . . . . 31 LEU N . 15351 1 391 . 1 1 32 32 TRP H H 1 9.109 0.020 . 1 . . . . 32 TRP HN . 15351 1 392 . 1 1 32 32 TRP HA H 1 5.103 0.020 . 1 . . . . 32 TRP HA . 15351 1 393 . 1 1 32 32 TRP HB2 H 1 3.045 0.020 . 2 . . . . 32 TRP HB2 . 15351 1 394 . 1 1 32 32 TRP HB3 H 1 3.045 0.020 . 2 . . . . 32 TRP HB3 . 15351 1 395 . 1 1 32 32 TRP HD1 H 1 6.975 0.020 . 1 . . . . 32 TRP HD1 . 15351 1 396 . 1 1 32 32 TRP HE1 H 1 10.161 0.020 . 1 . . . . 32 TRP HE1 . 15351 1 397 . 1 1 32 32 TRP HE3 H 1 7.655 0.020 . 1 . . . . 32 TRP HE3 . 15351 1 398 . 1 1 32 32 TRP HH2 H 1 7.113 0.020 . 1 . . . . 32 TRP HH2 . 15351 1 399 . 1 1 32 32 TRP HZ2 H 1 7.418 0.020 . 1 . . . . 32 TRP HZ2 . 15351 1 400 . 1 1 32 32 TRP HZ3 H 1 6.839 0.020 . 1 . . . . 32 TRP HZ3 . 15351 1 401 . 1 1 32 32 TRP C C 13 175.927 0.400 . 1 . . . . 32 TRP C . 15351 1 402 . 1 1 32 32 TRP CA C 13 58.427 0.400 . 1 . . . . 32 TRP CA . 15351 1 403 . 1 1 32 32 TRP CB C 13 31.115 0.400 . 1 . . . . 32 TRP CB . 15351 1 404 . 1 1 32 32 TRP CD1 C 13 126.630 0.400 . 1 . . . . 32 TRP CD1 . 15351 1 405 . 1 1 32 32 TRP CE3 C 13 121.330 0.400 . 1 . . . . 32 TRP CE3 . 15351 1 406 . 1 1 32 32 TRP CH2 C 13 123.810 0.400 . 1 . . . . 32 TRP CH2 . 15351 1 407 . 1 1 32 32 TRP CZ2 C 13 114.410 0.400 . 1 . . . . 32 TRP CZ2 . 15351 1 408 . 1 1 32 32 TRP CZ3 C 13 121.463 0.400 . 1 . . . . 32 TRP CZ3 . 15351 1 409 . 1 1 32 32 TRP N N 15 120.909 0.400 . 1 . . . . 32 TRP N . 15351 1 410 . 1 1 32 32 TRP NE1 N 15 129.400 0.400 . 1 . . . . 32 TRP NE1 . 15351 1 411 . 1 1 33 33 LEU H H 1 9.098 0.020 . 1 . . . . 33 LEU HN . 15351 1 412 . 1 1 33 33 LEU HA H 1 4.330 0.020 . 1 . . . . 33 LEU HA . 15351 1 413 . 1 1 33 33 LEU HB2 H 1 1.157 0.020 . 1 . . . . 33 LEU HB2 . 15351 1 414 . 1 1 33 33 LEU HB3 H 1 1.902 0.020 . 1 . . . . 33 LEU HB3 . 15351 1 415 . 1 1 33 33 LEU HD11 H 1 0.592 0.020 . 1 . . . . 33 LEU HD1 . 15351 1 416 . 1 1 33 33 LEU HD12 H 1 0.592 0.020 . 1 . . . . 33 LEU HD1 . 15351 1 417 . 1 1 33 33 LEU HD13 H 1 0.592 0.020 . 1 . . . . 33 LEU HD1 . 15351 1 418 . 1 1 33 33 LEU HD21 H 1 0.376 0.020 . 1 . . . . 33 LEU HD2 . 15351 1 419 . 1 1 33 33 LEU HD22 H 1 0.376 0.020 . 1 . . . . 33 LEU HD2 . 15351 1 420 . 1 1 33 33 LEU HD23 H 1 0.376 0.020 . 1 . . . . 33 LEU HD2 . 15351 1 421 . 1 1 33 33 LEU HG H 1 1.162 0.020 . 1 . . . . 33 LEU HG . 15351 1 422 . 1 1 33 33 LEU C C 13 175.340 0.400 . 1 . . . . 33 LEU C . 15351 1 423 . 1 1 33 33 LEU CA C 13 55.564 0.400 . 1 . . . . 33 LEU CA . 15351 1 424 . 1 1 33 33 LEU CB C 13 43.750 0.400 . 1 . . . . 33 LEU CB . 15351 1 425 . 1 1 33 33 LEU CD1 C 13 24.147 0.400 . 1 . . . . 33 LEU CD1 . 15351 1 426 . 1 1 33 33 LEU CD2 C 13 25.605 0.400 . 1 . . . . 33 LEU CD2 . 15351 1 427 . 1 1 33 33 LEU CG C 13 26.920 0.400 . 1 . . . . 33 LEU CG . 15351 1 428 . 1 1 33 33 LEU N N 15 125.030 0.400 . 1 . . . . 33 LEU N . 15351 1 429 . 1 1 34 34 LEU H H 1 8.977 0.020 . 1 . . . . 34 LEU HN . 15351 1 430 . 1 1 34 34 LEU HA H 1 4.611 0.020 . 1 . . . . 34 LEU HA . 15351 1 431 . 1 1 34 34 LEU HB2 H 1 1.545 0.020 . 2 . . . . 34 LEU HB2 . 15351 1 432 . 1 1 34 34 LEU HB3 H 1 1.248 0.020 . 2 . . . . 34 LEU HB3 . 15351 1 433 . 1 1 34 34 LEU HD11 H 1 0.778 0.020 . 1 . . . . 34 LEU HD1 . 15351 1 434 . 1 1 34 34 LEU HD12 H 1 0.778 0.020 . 1 . . . . 34 LEU HD1 . 15351 1 435 . 1 1 34 34 LEU HD13 H 1 0.778 0.020 . 1 . . . . 34 LEU HD1 . 15351 1 436 . 1 1 34 34 LEU HD21 H 1 0.784 0.020 . 1 . . . . 34 LEU HD2 . 15351 1 437 . 1 1 34 34 LEU HD22 H 1 0.784 0.020 . 1 . . . . 34 LEU HD2 . 15351 1 438 . 1 1 34 34 LEU HD23 H 1 0.784 0.020 . 1 . . . . 34 LEU HD2 . 15351 1 439 . 1 1 34 34 LEU HG H 1 1.643 0.020 . 1 . . . . 34 LEU HG . 15351 1 440 . 1 1 34 34 LEU C C 13 177.338 0.400 . 1 . . . . 34 LEU C . 15351 1 441 . 1 1 34 34 LEU CA C 13 55.400 0.400 . 1 . . . . 34 LEU CA . 15351 1 442 . 1 1 34 34 LEU CB C 13 42.785 0.400 . 1 . . . . 34 LEU CB . 15351 1 443 . 1 1 34 34 LEU CD1 C 13 26.076 0.400 . 1 . . . . 34 LEU CD1 . 15351 1 444 . 1 1 34 34 LEU CD2 C 13 22.959 0.400 . 1 . . . . 34 LEU CD2 . 15351 1 445 . 1 1 34 34 LEU CG C 13 27.578 0.400 . 1 . . . . 34 LEU CG . 15351 1 446 . 1 1 34 34 LEU N N 15 125.873 0.400 . 1 . . . . 34 LEU N . 15351 1 447 . 1 1 35 35 ASP H H 1 7.440 0.020 . 1 . . . . 35 ASP HN . 15351 1 448 . 1 1 35 35 ASP HA H 1 4.746 0.020 . 1 . . . . 35 ASP HA . 15351 1 449 . 1 1 35 35 ASP HB2 H 1 2.770 0.020 . 2 . . . . 35 ASP HB2 . 15351 1 450 . 1 1 35 35 ASP HB3 H 1 2.710 0.020 . 2 . . . . 35 ASP HB3 . 15351 1 451 . 1 1 35 35 ASP C C 13 174.857 0.400 . 1 . . . . 35 ASP C . 15351 1 452 . 1 1 35 35 ASP CA C 13 55.278 0.400 . 1 . . . . 35 ASP CA . 15351 1 453 . 1 1 35 35 ASP CB C 13 43.473 0.400 . 1 . . . . 35 ASP CB . 15351 1 454 . 1 1 35 35 ASP N N 15 115.322 0.400 . 1 . . . . 35 ASP N . 15351 1 455 . 1 1 36 36 ASP H H 1 8.309 0.020 . 1 . . . . 36 ASP HN . 15351 1 456 . 1 1 36 36 ASP HA H 1 3.925 0.020 . 1 . . . . 36 ASP HA . 15351 1 457 . 1 1 36 36 ASP HB2 H 1 1.897 0.020 . 2 . . . . 36 ASP HB2 . 15351 1 458 . 1 1 36 36 ASP HB3 H 1 1.112 0.020 . 2 . . . . 36 ASP HB3 . 15351 1 459 . 1 1 36 36 ASP C C 13 176.337 0.400 . 1 . . . . 36 ASP C . 15351 1 460 . 1 1 36 36 ASP CA C 13 52.313 0.400 . 1 . . . . 36 ASP CA . 15351 1 461 . 1 1 36 36 ASP CB C 13 40.016 0.400 . 1 . . . . 36 ASP CB . 15351 1 462 . 1 1 36 36 ASP N N 15 128.280 0.400 . 1 . . . . 36 ASP N . 15351 1 463 . 1 1 37 37 SER H H 1 8.425 0.020 . 1 . . . . 37 SER HN . 15351 1 464 . 1 1 37 37 SER HA H 1 4.209 0.020 . 1 . . . . 37 SER HA . 15351 1 465 . 1 1 37 37 SER HB2 H 1 4.034 0.020 . 2 . . . . 37 SER HB2 . 15351 1 466 . 1 1 37 37 SER HB3 H 1 4.034 0.020 . 2 . . . . 37 SER HB3 . 15351 1 467 . 1 1 37 37 SER C C 13 175.250 0.400 . 1 . . . . 37 SER C . 15351 1 468 . 1 1 37 37 SER CA C 13 61.637 0.400 . 1 . . . . 37 SER CA . 15351 1 469 . 1 1 37 37 SER CB C 13 64.096 0.400 . 1 . . . . 37 SER CB . 15351 1 470 . 1 1 37 37 SER N N 15 115.367 0.400 . 1 . . . . 37 SER N . 15351 1 471 . 1 1 38 38 LYS H H 1 8.360 0.020 . 1 . . . . 38 LYS HN . 15351 1 472 . 1 1 38 38 LYS HA H 1 4.886 0.020 . 1 . . . . 38 LYS HA . 15351 1 473 . 1 1 38 38 LYS HB2 H 1 2.264 0.020 . 2 . . . . 38 LYS HB2 . 15351 1 474 . 1 1 38 38 LYS HB3 H 1 2.198 0.020 . 2 . . . . 38 LYS HB3 . 15351 1 475 . 1 1 38 38 LYS HE2 H 1 3.094 0.020 . 2 . . . . 38 LYS HE2 . 15351 1 476 . 1 1 38 38 LYS HE3 H 1 3.094 0.020 . 2 . . . . 38 LYS HE3 . 15351 1 477 . 1 1 38 38 LYS HG2 H 1 1.771 0.020 . 2 . . . . 38 LYS HG2 . 15351 1 478 . 1 1 38 38 LYS HG3 H 1 1.742 0.020 . 2 . . . . 38 LYS HG3 . 15351 1 479 . 1 1 38 38 LYS C C 13 175.856 0.400 . 1 . . . . 38 LYS C . 15351 1 480 . 1 1 38 38 LYS CA C 13 54.992 0.400 . 1 . . . . 38 LYS CA . 15351 1 481 . 1 1 38 38 LYS CB C 13 34.292 0.400 . 1 . . . . 38 LYS CB . 15351 1 482 . 1 1 38 38 LYS CE C 13 42.423 0.400 . 1 . . . . 38 LYS CE . 15351 1 483 . 1 1 38 38 LYS N N 15 121.851 0.400 . 1 . . . . 38 LYS N . 15351 1 484 . 1 1 39 39 SER H H 1 8.280 0.020 . 1 . . . . 39 SER HN . 15351 1 485 . 1 1 39 39 SER HA H 1 4.299 0.020 . 1 . . . . 39 SER HA . 15351 1 486 . 1 1 39 39 SER HB2 H 1 3.968 0.020 . 2 . . . . 39 SER HB2 . 15351 1 487 . 1 1 39 39 SER HB3 H 1 3.952 0.020 . 2 . . . . 39 SER HB3 . 15351 1 488 . 1 1 39 39 SER C C 13 175.027 0.400 . 1 . . . . 39 SER C . 15351 1 489 . 1 1 39 39 SER CA C 13 60.866 0.400 . 1 . . . . 39 SER CA . 15351 1 490 . 1 1 39 39 SER CB C 13 63.238 0.400 . 1 . . . . 39 SER CB . 15351 1 491 . 1 1 39 39 SER N N 15 112.265 0.400 . 1 . . . . 39 SER N . 15351 1 492 . 1 1 40 40 TRP H H 1 7.399 0.020 . 1 . . . . 40 TRP HN . 15351 1 493 . 1 1 40 40 TRP HA H 1 4.847 0.020 . 1 . . . . 40 TRP HA . 15351 1 494 . 1 1 40 40 TRP HB2 H 1 3.034 0.020 . 2 . . . . 40 TRP HB2 . 15351 1 495 . 1 1 40 40 TRP HB3 H 1 2.884 0.020 . 2 . . . . 40 TRP HB3 . 15351 1 496 . 1 1 40 40 TRP HD1 H 1 7.160 0.020 . 1 . . . . 40 TRP HD1 . 15351 1 497 . 1 1 40 40 TRP HE1 H 1 10.070 0.020 . 1 . . . . 40 TRP HE1 . 15351 1 498 . 1 1 40 40 TRP HE3 H 1 7.000 0.020 . 1 . . . . 40 TRP HE3 . 15351 1 499 . 1 1 40 40 TRP HH2 H 1 7.312 0.020 . 1 . . . . 40 TRP HH2 . 15351 1 500 . 1 1 40 40 TRP HZ2 H 1 7.380 0.020 . 1 . . . . 40 TRP HZ2 . 15351 1 501 . 1 1 40 40 TRP HZ3 H 1 6.750 0.020 . 1 . . . . 40 TRP HZ3 . 15351 1 502 . 1 1 40 40 TRP C C 13 175.368 0.400 . 1 . . . . 40 TRP C . 15351 1 503 . 1 1 40 40 TRP CA C 13 56.683 0.400 . 1 . . . . 40 TRP CA . 15351 1 504 . 1 1 40 40 TRP CB C 13 29.776 0.400 . 1 . . . . 40 TRP CB . 15351 1 505 . 1 1 40 40 TRP CD1 C 13 126.380 0.400 . 1 . . . . 40 TRP CD1 . 15351 1 506 . 1 1 40 40 TRP CE3 C 13 119.120 0.400 . 1 . . . . 40 TRP CE3 . 15351 1 507 . 1 1 40 40 TRP CH2 C 13 125.940 0.400 . 1 . . . . 40 TRP CH2 . 15351 1 508 . 1 1 40 40 TRP CZ2 C 13 114.480 0.400 . 1 . . . . 40 TRP CZ2 . 15351 1 509 . 1 1 40 40 TRP CZ3 C 13 121.600 0.400 . 1 . . . . 40 TRP CZ3 . 15351 1 510 . 1 1 40 40 TRP N N 15 121.183 0.400 . 1 . . . . 40 TRP N . 15351 1 511 . 1 1 40 40 TRP NE1 N 15 129.860 0.400 . 1 . . . . 40 TRP NE1 . 15351 1 512 . 1 1 41 41 TRP H H 1 9.314 0.020 . 1 . . . . 41 TRP HN . 15351 1 513 . 1 1 41 41 TRP HA H 1 5.429 0.020 . 1 . . . . 41 TRP HA . 15351 1 514 . 1 1 41 41 TRP HB2 H 1 2.840 0.020 . 1 . . . . 41 TRP HB2 . 15351 1 515 . 1 1 41 41 TRP HB3 H 1 2.945 0.020 . 1 . . . . 41 TRP HB3 . 15351 1 516 . 1 1 41 41 TRP HD1 H 1 7.292 0.020 . 1 . . . . 41 TRP HD1 . 15351 1 517 . 1 1 41 41 TRP HE1 H 1 9.835 0.020 . 1 . . . . 41 TRP HE1 . 15351 1 518 . 1 1 41 41 TRP HE3 H 1 7.503 0.020 . 1 . . . . 41 TRP HE3 . 15351 1 519 . 1 1 41 41 TRP HH2 H 1 7.244 0.020 . 1 . . . . 41 TRP HH2 . 15351 1 520 . 1 1 41 41 TRP HZ2 H 1 7.573 0.020 . 1 . . . . 41 TRP HZ2 . 15351 1 521 . 1 1 41 41 TRP HZ3 H 1 6.760 0.020 . 1 . . . . 41 TRP HZ3 . 15351 1 522 . 1 1 41 41 TRP C C 13 175.002 0.400 . 1 . . . . 41 TRP C . 15351 1 523 . 1 1 41 41 TRP CA C 13 54.395 0.400 . 1 . . . . 41 TRP CA . 15351 1 524 . 1 1 41 41 TRP CB C 13 30.838 0.400 . 1 . . . . 41 TRP CB . 15351 1 525 . 1 1 41 41 TRP CD1 C 13 125.152 0.400 . 1 . . . . 41 TRP CD1 . 15351 1 526 . 1 1 41 41 TRP CE3 C 13 120.820 0.400 . 1 . . . . 41 TRP CE3 . 15351 1 527 . 1 1 41 41 TRP CH2 C 13 124.530 0.400 . 1 . . . . 41 TRP CH2 . 15351 1 528 . 1 1 41 41 TRP CZ2 C 13 114.690 0.400 . 1 . . . . 41 TRP CZ2 . 15351 1 529 . 1 1 41 41 TRP CZ3 C 13 120.900 0.400 . 1 . . . . 41 TRP CZ3 . 15351 1 530 . 1 1 41 41 TRP N N 15 125.559 0.400 . 1 . . . . 41 TRP N . 15351 1 531 . 1 1 41 41 TRP NE1 N 15 129.880 0.400 . 1 . . . . 41 TRP NE1 . 15351 1 532 . 1 1 42 42 ARG H H 1 8.794 0.020 . 1 . . . . 42 ARG HN . 15351 1 533 . 1 1 42 42 ARG HA H 1 4.572 0.020 . 1 . . . . 42 ARG HA . 15351 1 534 . 1 1 42 42 ARG HB2 H 1 1.710 0.020 . 2 . . . . 42 ARG HB2 . 15351 1 535 . 1 1 42 42 ARG HB3 H 1 1.470 0.020 . 2 . . . . 42 ARG HB3 . 15351 1 536 . 1 1 42 42 ARG HD2 H 1 2.932 0.020 . 2 . . . . 42 ARG HD2 . 15351 1 537 . 1 1 42 42 ARG HD3 H 1 2.932 0.020 . 2 . . . . 42 ARG HD3 . 15351 1 538 . 1 1 42 42 ARG HG2 H 1 1.153 0.020 . 2 . . . . 42 ARG HG2 . 15351 1 539 . 1 1 42 42 ARG HG3 H 1 0.730 0.020 . 2 . . . . 42 ARG HG3 . 15351 1 540 . 1 1 42 42 ARG C C 13 175.559 0.400 . 1 . . . . 42 ARG C . 15351 1 541 . 1 1 42 42 ARG CA C 13 55.440 0.400 . 1 . . . . 42 ARG CA . 15351 1 542 . 1 1 42 42 ARG CB C 13 32.326 0.400 . 1 . . . . 42 ARG CB . 15351 1 543 . 1 1 42 42 ARG CD C 13 43.102 0.400 . 1 . . . . 42 ARG CD . 15351 1 544 . 1 1 42 42 ARG CG C 13 28.345 0.400 . 1 . . . . 42 ARG CG . 15351 1 545 . 1 1 42 42 ARG N N 15 124.137 0.400 . 1 . . . . 42 ARG N . 15351 1 546 . 1 1 43 43 VAL H H 1 9.182 0.020 . 1 . . . . 43 VAL HN . 15351 1 547 . 1 1 43 43 VAL HA H 1 5.512 0.020 . 1 . . . . 43 VAL HA . 15351 1 548 . 1 1 43 43 VAL HB H 1 2.146 0.020 . 1 . . . . 43 VAL HB . 15351 1 549 . 1 1 43 43 VAL HG11 H 1 0.882 0.020 . 1 . . . . 43 VAL HG1 . 15351 1 550 . 1 1 43 43 VAL HG12 H 1 0.882 0.020 . 1 . . . . 43 VAL HG1 . 15351 1 551 . 1 1 43 43 VAL HG13 H 1 0.882 0.020 . 1 . . . . 43 VAL HG1 . 15351 1 552 . 1 1 43 43 VAL HG21 H 1 0.868 0.020 . 1 . . . . 43 VAL HG2 . 15351 1 553 . 1 1 43 43 VAL HG22 H 1 0.868 0.020 . 1 . . . . 43 VAL HG2 . 15351 1 554 . 1 1 43 43 VAL HG23 H 1 0.868 0.020 . 1 . . . . 43 VAL HG2 . 15351 1 555 . 1 1 43 43 VAL C C 13 172.797 0.400 . 1 . . . . 43 VAL C . 15351 1 556 . 1 1 43 43 VAL CA C 13 58.762 0.400 . 1 . . . . 43 VAL CA . 15351 1 557 . 1 1 43 43 VAL CB C 13 36.777 0.400 . 1 . . . . 43 VAL CB . 15351 1 558 . 1 1 43 43 VAL CG1 C 13 21.818 0.400 . 1 . . . . 43 VAL CG1 . 15351 1 559 . 1 1 43 43 VAL CG2 C 13 19.631 0.400 . 1 . . . . 43 VAL CG2 . 15351 1 560 . 1 1 43 43 VAL N N 15 121.379 0.400 . 1 . . . . 43 VAL N . 15351 1 561 . 1 1 44 44 ARG H H 1 9.238 0.020 . 1 . . . . 44 ARG HN . 15351 1 562 . 1 1 44 44 ARG HA H 1 5.511 0.020 . 1 . . . . 44 ARG HA . 15351 1 563 . 1 1 44 44 ARG HB2 H 1 1.652 0.020 . 1 . . . . 44 ARG HB2 . 15351 1 564 . 1 1 44 44 ARG HB3 H 1 1.951 0.020 . 1 . . . . 44 ARG HB3 . 15351 1 565 . 1 1 44 44 ARG HD2 H 1 3.217 0.020 . 2 . . . . 44 ARG HD2 . 15351 1 566 . 1 1 44 44 ARG HD3 H 1 3.089 0.020 . 2 . . . . 44 ARG HD3 . 15351 1 567 . 1 1 44 44 ARG HG2 H 1 1.501 0.020 . 2 . . . . 44 ARG HG2 . 15351 1 568 . 1 1 44 44 ARG HG3 H 1 1.432 0.020 . 2 . . . . 44 ARG HG3 . 15351 1 569 . 1 1 44 44 ARG C C 13 175.668 0.400 . 1 . . . . 44 ARG C . 15351 1 570 . 1 1 44 44 ARG CA C 13 53.705 0.400 . 1 . . . . 44 ARG CA . 15351 1 571 . 1 1 44 44 ARG CB C 13 35.366 0.400 . 1 . . . . 44 ARG CB . 15351 1 572 . 1 1 44 44 ARG CD C 13 43.309 0.400 . 1 . . . . 44 ARG CD . 15351 1 573 . 1 1 44 44 ARG CG C 13 27.484 0.400 . 1 . . . . 44 ARG CG . 15351 1 574 . 1 1 44 44 ARG N N 15 119.936 0.400 . 1 . . . . 44 ARG N . 15351 1 575 . 1 1 45 45 ASN H H 1 8.787 0.020 . 1 . . . . 45 ASN HN . 15351 1 576 . 1 1 45 45 ASN HA H 1 5.474 0.020 . 1 . . . . 45 ASN HA . 15351 1 577 . 1 1 45 45 ASN HB2 H 1 3.839 0.020 . 2 . . . . 45 ASN HB2 . 15351 1 578 . 1 1 45 45 ASN HB3 H 1 2.904 0.020 . 2 . . . . 45 ASN HB3 . 15351 1 579 . 1 1 45 45 ASN HD21 H 1 9.161 0.020 . 2 . . . . 45 ASN HD21 . 15351 1 580 . 1 1 45 45 ASN HD22 H 1 6.687 0.020 . 2 . . . . 45 ASN HD22 . 15351 1 581 . 1 1 45 45 ASN C C 13 178.383 0.400 . 1 . . . . 45 ASN C . 15351 1 582 . 1 1 45 45 ASN CA C 13 50.705 0.400 . 1 . . . . 45 ASN CA . 15351 1 583 . 1 1 45 45 ASN CB C 13 40.835 0.400 . 1 . . . . 45 ASN CB . 15351 1 584 . 1 1 45 45 ASN N N 15 123.301 0.400 . 1 . . . . 45 ASN N . 15351 1 585 . 1 1 45 45 ASN ND2 N 15 113.383 0.400 . 1 . . . . 45 ASN ND2 . 15351 1 586 . 1 1 46 46 SER H H 1 9.669 0.020 . 1 . . . . 46 SER HN . 15351 1 587 . 1 1 46 46 SER HA H 1 4.315 0.020 . 1 . . . . 46 SER HA . 15351 1 588 . 1 1 46 46 SER HB2 H 1 4.219 0.020 . 2 . . . . 46 SER HB2 . 15351 1 589 . 1 1 46 46 SER HB3 H 1 4.219 0.020 . 2 . . . . 46 SER HB3 . 15351 1 590 . 1 1 46 46 SER C C 13 175.111 0.400 . 1 . . . . 46 SER C . 15351 1 591 . 1 1 46 46 SER CA C 13 61.617 0.400 . 1 . . . . 46 SER CA . 15351 1 592 . 1 1 46 46 SER CB C 13 63.177 0.400 . 1 . . . . 46 SER CB . 15351 1 593 . 1 1 46 46 SER N N 15 114.717 0.400 . 1 . . . . 46 SER N . 15351 1 594 . 1 1 47 47 MET H H 1 7.623 0.020 . 1 . . . . 47 MET HN . 15351 1 595 . 1 1 47 47 MET HA H 1 4.704 0.020 . 1 . . . . 47 MET HA . 15351 1 596 . 1 1 47 47 MET HB2 H 1 2.370 0.020 . 2 . . . . 47 MET HB2 . 15351 1 597 . 1 1 47 47 MET HB3 H 1 2.005 0.020 . 2 . . . . 47 MET HB3 . 15351 1 598 . 1 1 47 47 MET HG2 H 1 2.688 0.020 . 2 . . . . 47 MET HG2 . 15351 1 599 . 1 1 47 47 MET HG3 H 1 2.537 0.020 . 2 . . . . 47 MET HG3 . 15351 1 600 . 1 1 47 47 MET C C 13 175.690 0.400 . 1 . . . . 47 MET C . 15351 1 601 . 1 1 47 47 MET CA C 13 54.530 0.400 . 1 . . . . 47 MET CA . 15351 1 602 . 1 1 47 47 MET CB C 13 31.607 0.400 . 1 . . . . 47 MET CB . 15351 1 603 . 1 1 47 47 MET CG C 13 32.498 0.400 . 1 . . . . 47 MET CG . 15351 1 604 . 1 1 47 47 MET N N 15 120.082 0.400 . 1 . . . . 47 MET N . 15351 1 605 . 1 1 48 48 ASN H H 1 8.399 0.020 . 1 . . . . 48 ASN HN . 15351 1 606 . 1 1 48 48 ASN HA H 1 4.194 0.020 . 1 . . . . 48 ASN HA . 15351 1 607 . 1 1 48 48 ASN HB2 H 1 2.951 0.020 . 1 . . . . 48 ASN HB2 . 15351 1 608 . 1 1 48 48 ASN HB3 H 1 3.147 0.020 . 1 . . . . 48 ASN HB3 . 15351 1 609 . 1 1 48 48 ASN HD21 H 1 7.443 0.020 . 2 . . . . 48 ASN HD21 . 15351 1 610 . 1 1 48 48 ASN HD22 H 1 6.713 0.020 . 2 . . . . 48 ASN HD22 . 15351 1 611 . 1 1 48 48 ASN C C 13 174.194 0.400 . 1 . . . . 48 ASN C . 15351 1 612 . 1 1 48 48 ASN CA C 13 54.961 0.400 . 1 . . . . 48 ASN CA . 15351 1 613 . 1 1 48 48 ASN CB C 13 37.076 0.400 . 1 . . . . 48 ASN CB . 15351 1 614 . 1 1 48 48 ASN N N 15 113.434 0.400 . 1 . . . . 48 ASN N . 15351 1 615 . 1 1 48 48 ASN ND2 N 15 112.181 0.400 . 1 . . . . 48 ASN ND2 . 15351 1 616 . 1 1 49 49 LYS H H 1 8.053 0.020 . 1 . . . . 49 LYS HN . 15351 1 617 . 1 1 49 49 LYS HA H 1 4.542 0.020 . 1 . . . . 49 LYS HA . 15351 1 618 . 1 1 49 49 LYS HB2 H 1 1.715 0.020 . 1 . . . . 49 LYS HB2 . 15351 1 619 . 1 1 49 49 LYS HB3 H 1 1.845 0.020 . 1 . . . . 49 LYS HB3 . 15351 1 620 . 1 1 49 49 LYS HD2 H 1 1.752 0.020 . 2 . . . . 49 LYS HD2 . 15351 1 621 . 1 1 49 49 LYS HD3 H 1 1.752 0.020 . 2 . . . . 49 LYS HD3 . 15351 1 622 . 1 1 49 49 LYS HE2 H 1 3.071 0.020 . 2 . . . . 49 LYS HE2 . 15351 1 623 . 1 1 49 49 LYS HE3 H 1 3.071 0.020 . 2 . . . . 49 LYS HE3 . 15351 1 624 . 1 1 49 49 LYS HG2 H 1 1.560 0.020 . 2 . . . . 49 LYS HG2 . 15351 1 625 . 1 1 49 49 LYS HG3 H 1 1.404 0.020 . 2 . . . . 49 LYS HG3 . 15351 1 626 . 1 1 49 49 LYS C C 13 175.459 0.400 . 1 . . . . 49 LYS C . 15351 1 627 . 1 1 49 49 LYS CA C 13 55.672 0.400 . 1 . . . . 49 LYS CA . 15351 1 628 . 1 1 49 49 LYS CB C 13 33.352 0.400 . 1 . . . . 49 LYS CB . 15351 1 629 . 1 1 49 49 LYS CD C 13 28.882 0.400 . 1 . . . . 49 LYS CD . 15351 1 630 . 1 1 49 49 LYS CE C 13 42.433 0.400 . 1 . . . . 49 LYS CE . 15351 1 631 . 1 1 49 49 LYS CG C 13 25.399 0.400 . 1 . . . . 49 LYS CG . 15351 1 632 . 1 1 49 49 LYS N N 15 120.636 0.400 . 1 . . . . 49 LYS N . 15351 1 633 . 1 1 50 50 THR H H 1 8.222 0.020 . 1 . . . . 50 THR HN . 15351 1 634 . 1 1 50 50 THR HA H 1 5.699 0.020 . 1 . . . . 50 THR HA . 15351 1 635 . 1 1 50 50 THR HB H 1 3.874 0.020 . 1 . . . . 50 THR HB . 15351 1 636 . 1 1 50 50 THR HG21 H 1 1.053 0.020 . 1 . . . . 50 THR HG2 . 15351 1 637 . 1 1 50 50 THR HG22 H 1 1.053 0.020 . 1 . . . . 50 THR HG2 . 15351 1 638 . 1 1 50 50 THR HG23 H 1 1.053 0.020 . 1 . . . . 50 THR HG2 . 15351 1 639 . 1 1 50 50 THR C C 13 174.548 0.400 . 1 . . . . 50 THR C . 15351 1 640 . 1 1 50 50 THR CA C 13 59.247 0.400 . 1 . . . . 50 THR CA . 15351 1 641 . 1 1 50 50 THR CB C 13 71.798 0.400 . 1 . . . . 50 THR CB . 15351 1 642 . 1 1 50 50 THR CG2 C 13 22.027 0.400 . 1 . . . . 50 THR CG2 . 15351 1 643 . 1 1 50 50 THR N N 15 113.817 0.400 . 1 . . . . 50 THR N . 15351 1 644 . 1 1 51 51 GLY H H 1 8.597 0.020 . 1 . . . . 51 GLY HN . 15351 1 645 . 1 1 51 51 GLY HA2 H 1 3.914 0.020 . 2 . . . . 51 GLY HA1 . 15351 1 646 . 1 1 51 51 GLY HA3 H 1 4.061 0.020 . 2 . . . . 51 GLY HA2 . 15351 1 647 . 1 1 51 51 GLY C C 13 170.511 0.400 . 1 . . . . 51 GLY C . 15351 1 648 . 1 1 51 51 GLY CA C 13 45.470 0.400 . 1 . . . . 51 GLY CA . 15351 1 649 . 1 1 51 51 GLY N N 15 108.052 0.400 . 1 . . . . 51 GLY N . 15351 1 650 . 1 1 52 52 PHE H H 1 8.995 0.020 . 1 . . . . 52 PHE HN . 15351 1 651 . 1 1 52 52 PHE HA H 1 5.867 0.020 . 1 . . . . 52 PHE HA . 15351 1 652 . 1 1 52 52 PHE HB2 H 1 2.740 0.020 . 1 . . . . 52 PHE HB2 . 15351 1 653 . 1 1 52 52 PHE HB3 H 1 3.187 0.020 . 1 . . . . 52 PHE HB3 . 15351 1 654 . 1 1 52 52 PHE HD1 H 1 7.171 0.020 . 1 . . . . 52 PHE HD1 . 15351 1 655 . 1 1 52 52 PHE HD2 H 1 7.171 0.020 . 1 . . . . 52 PHE HD2 . 15351 1 656 . 1 1 52 52 PHE HE1 H 1 7.460 0.020 . 1 . . . . 52 PHE HE1 . 15351 1 657 . 1 1 52 52 PHE HE2 H 1 7.460 0.020 . 1 . . . . 52 PHE HE2 . 15351 1 658 . 1 1 52 52 PHE HZ H 1 7.386 0.020 . 1 . . . . 52 PHE HZ . 15351 1 659 . 1 1 52 52 PHE C C 13 176.301 0.400 . 1 . . . . 52 PHE C . 15351 1 660 . 1 1 52 52 PHE CA C 13 57.925 0.400 . 1 . . . . 52 PHE CA . 15351 1 661 . 1 1 52 52 PHE CB C 13 42.818 0.400 . 1 . . . . 52 PHE CB . 15351 1 662 . 1 1 52 52 PHE CD1 C 13 131.770 0.400 . 1 . . . . 52 PHE CD1 . 15351 1 663 . 1 1 52 52 PHE CD2 C 13 131.771 0.400 . 1 . . . . 52 PHE CD2 . 15351 1 664 . 1 1 52 52 PHE CE1 C 13 131.750 0.400 . 1 . . . . 52 PHE CE1 . 15351 1 665 . 1 1 52 52 PHE CE2 C 13 131.751 0.400 . 1 . . . . 52 PHE CE2 . 15351 1 666 . 1 1 52 52 PHE CZ C 13 130.310 0.400 . 1 . . . . 52 PHE CZ . 15351 1 667 . 1 1 52 52 PHE N N 15 118.199 0.400 . 1 . . . . 52 PHE N . 15351 1 668 . 1 1 53 53 VAL H H 1 9.117 0.020 . 1 . . . . 53 VAL HN . 15351 1 669 . 1 1 53 53 VAL HA H 1 4.778 0.020 . 1 . . . . 53 VAL HA . 15351 1 670 . 1 1 53 53 VAL HB H 1 1.745 0.020 . 1 . . . . 53 VAL HB . 15351 1 671 . 1 1 53 53 VAL HG11 H 1 1.071 0.020 . 1 . . . . 53 VAL HG1 . 15351 1 672 . 1 1 53 53 VAL HG12 H 1 1.071 0.020 . 1 . . . . 53 VAL HG1 . 15351 1 673 . 1 1 53 53 VAL HG13 H 1 1.071 0.020 . 1 . . . . 53 VAL HG1 . 15351 1 674 . 1 1 53 53 VAL HG21 H 1 0.715 0.020 . 1 . . . . 53 VAL HG2 . 15351 1 675 . 1 1 53 53 VAL HG22 H 1 0.715 0.020 . 1 . . . . 53 VAL HG2 . 15351 1 676 . 1 1 53 53 VAL HG23 H 1 0.715 0.020 . 1 . . . . 53 VAL HG2 . 15351 1 677 . 1 1 53 53 VAL CA C 13 57.529 0.400 . 1 . . . . 53 VAL CA . 15351 1 678 . 1 1 53 53 VAL CB C 13 33.545 0.400 . 1 . . . . 53 VAL CB . 15351 1 679 . 1 1 53 53 VAL CG1 C 13 23.370 0.400 . 1 . . . . 53 VAL CG1 . 15351 1 680 . 1 1 53 53 VAL CG2 C 13 18.661 0.400 . 1 . . . . 53 VAL CG2 . 15351 1 681 . 1 1 53 53 VAL N N 15 112.228 0.400 . 1 . . . . 53 VAL N . 15351 1 682 . 1 1 54 54 PRO HA H 1 3.256 0.020 . 1 . . . . 54 PRO HA . 15351 1 683 . 1 1 54 54 PRO HB2 H 1 1.290 0.020 . 2 . . . . 54 PRO HB2 . 15351 1 684 . 1 1 54 54 PRO HD2 H 1 2.335 0.020 . 2 . . . . 54 PRO HD2 . 15351 1 685 . 1 1 54 54 PRO HD3 H 1 2.054 0.020 . 2 . . . . 54 PRO HD3 . 15351 1 686 . 1 1 54 54 PRO HG2 H 1 0.594 0.020 . 2 . . . . 54 PRO HG2 . 15351 1 687 . 1 1 54 54 PRO HG3 H 1 0.288 0.020 . 2 . . . . 54 PRO HG3 . 15351 1 688 . 1 1 54 54 PRO C C 13 178.940 0.400 . 1 . . . . 54 PRO C . 15351 1 689 . 1 1 54 54 PRO CA C 13 62.446 0.400 . 1 . . . . 54 PRO CA . 15351 1 690 . 1 1 54 54 PRO CB C 13 30.412 0.400 . 1 . . . . 54 PRO CB . 15351 1 691 . 1 1 54 54 PRO CD C 13 49.507 0.400 . 1 . . . . 54 PRO CD . 15351 1 692 . 1 1 54 54 PRO CG C 13 26.940 0.400 . 1 . . . . 54 PRO CG . 15351 1 693 . 1 1 55 55 SER H H 1 7.746 0.020 . 1 . . . . 55 SER HN . 15351 1 694 . 1 1 55 55 SER C C 13 174.688 0.400 . 1 . . . . 55 SER C . 15351 1 695 . 1 1 55 55 SER N N 15 118.307 0.400 . 1 . . . . 55 SER N . 15351 1 696 . 1 1 56 56 ASN H H 1 8.178 0.020 . 1 . . . . 56 ASN HN . 15351 1 697 . 1 1 56 56 ASN HA H 1 4.474 0.020 . 1 . . . . 56 ASN HA . 15351 1 698 . 1 1 56 56 ASN HB2 H 1 2.832 0.020 . 2 . . . . 56 ASN HB2 . 15351 1 699 . 1 1 56 56 ASN HB3 H 1 2.643 0.020 . 2 . . . . 56 ASN HB3 . 15351 1 700 . 1 1 56 56 ASN C C 13 175.383 0.400 . 1 . . . . 56 ASN C . 15351 1 701 . 1 1 56 56 ASN CA C 13 53.910 0.400 . 1 . . . . 56 ASN CA . 15351 1 702 . 1 1 56 56 ASN CB C 13 36.705 0.400 . 1 . . . . 56 ASN CB . 15351 1 703 . 1 1 56 56 ASN N N 15 113.946 0.400 . 1 . . . . 56 ASN N . 15351 1 704 . 1 1 57 57 TYR H H 1 7.902 0.020 . 1 . . . . 57 TYR HN . 15351 1 705 . 1 1 57 57 TYR HA H 1 4.453 0.020 . 1 . . . . 57 TYR HA . 15351 1 706 . 1 1 57 57 TYR HB2 H 1 3.200 0.020 . 2 . . . . 57 TYR HB2 . 15351 1 707 . 1 1 57 57 TYR HB3 H 1 3.030 0.020 . 2 . . . . 57 TYR HB3 . 15351 1 708 . 1 1 57 57 TYR HD1 H 1 7.014 0.020 . 1 . . . . 57 TYR HD1 . 15351 1 709 . 1 1 57 57 TYR HD2 H 1 7.014 0.020 . 1 . . . . 57 TYR HD2 . 15351 1 710 . 1 1 57 57 TYR HE1 H 1 6.830 0.020 . 1 . . . . 57 TYR HE1 . 15351 1 711 . 1 1 57 57 TYR HE2 H 1 6.830 0.020 . 1 . . . . 57 TYR HE2 . 15351 1 712 . 1 1 57 57 TYR C C 13 175.088 0.400 . 1 . . . . 57 TYR C . 15351 1 713 . 1 1 57 57 TYR CA C 13 59.157 0.400 . 1 . . . . 57 TYR CA . 15351 1 714 . 1 1 57 57 TYR CB C 13 38.195 0.400 . 1 . . . . 57 TYR CB . 15351 1 715 . 1 1 57 57 TYR CD1 C 13 133.270 0.400 . 1 . . . . 57 TYR CD1 . 15351 1 716 . 1 1 57 57 TYR CE1 C 13 118.210 0.400 . 1 . . . . 57 TYR CE1 . 15351 1 717 . 1 1 57 57 TYR N N 15 118.299 0.400 . 1 . . . . 57 TYR N . 15351 1 718 . 1 1 58 58 VAL H H 1 7.281 0.020 . 1 . . . . 58 VAL HN . 15351 1 719 . 1 1 58 58 VAL HA H 1 5.102 0.020 . 1 . . . . 58 VAL HA . 15351 1 720 . 1 1 58 58 VAL HB H 1 1.842 0.020 . 1 . . . . 58 VAL HB . 15351 1 721 . 1 1 58 58 VAL HG11 H 1 0.708 0.020 . 1 . . . . 58 VAL HG1 . 15351 1 722 . 1 1 58 58 VAL HG12 H 1 0.708 0.020 . 1 . . . . 58 VAL HG1 . 15351 1 723 . 1 1 58 58 VAL HG13 H 1 0.708 0.020 . 1 . . . . 58 VAL HG1 . 15351 1 724 . 1 1 58 58 VAL HG21 H 1 0.734 0.020 . 1 . . . . 58 VAL HG2 . 15351 1 725 . 1 1 58 58 VAL HG22 H 1 0.734 0.020 . 1 . . . . 58 VAL HG2 . 15351 1 726 . 1 1 58 58 VAL HG23 H 1 0.734 0.020 . 1 . . . . 58 VAL HG2 . 15351 1 727 . 1 1 58 58 VAL C C 13 173.097 0.400 . 1 . . . . 58 VAL C . 15351 1 728 . 1 1 58 58 VAL CA C 13 58.509 0.400 . 1 . . . . 58 VAL CA . 15351 1 729 . 1 1 58 58 VAL CB C 13 35.643 0.400 . 1 . . . . 58 VAL CB . 15351 1 730 . 1 1 58 58 VAL CG1 C 13 22.382 0.400 . 1 . . . . 58 VAL CG1 . 15351 1 731 . 1 1 58 58 VAL CG2 C 13 19.722 0.400 . 1 . . . . 58 VAL CG2 . 15351 1 732 . 1 1 58 58 VAL N N 15 111.551 0.400 . 1 . . . . 58 VAL N . 15351 1 733 . 1 1 59 59 GLU H H 1 8.635 0.020 . 1 . . . . 59 GLU HN . 15351 1 734 . 1 1 59 59 GLU HA H 1 4.780 0.020 . 1 . . . . 59 GLU HA . 15351 1 735 . 1 1 59 59 GLU HB2 H 1 1.939 0.020 . 2 . . . . 59 GLU HB2 . 15351 1 736 . 1 1 59 59 GLU HB3 H 1 1.809 0.020 . 2 . . . . 59 GLU HB3 . 15351 1 737 . 1 1 59 59 GLU HG2 H 1 2.091 0.020 . 2 . . . . 59 GLU HG2 . 15351 1 738 . 1 1 59 59 GLU HG3 H 1 2.091 0.020 . 2 . . . . 59 GLU HG3 . 15351 1 739 . 1 1 59 59 GLU C C 13 175.523 0.400 . 1 . . . . 59 GLU C . 15351 1 740 . 1 1 59 59 GLU CA C 13 54.394 0.400 . 1 . . . . 59 GLU CA . 15351 1 741 . 1 1 59 59 GLU CB C 13 33.500 0.400 . 1 . . . . 59 GLU CB . 15351 1 742 . 1 1 59 59 GLU CG C 13 35.823 0.400 . 1 . . . . 59 GLU CG . 15351 1 743 . 1 1 59 59 GLU N N 15 118.716 0.400 . 1 . . . . 59 GLU N . 15351 1 744 . 1 1 60 60 ARG H H 1 8.984 0.020 . 1 . . . . 60 ARG HN . 15351 1 745 . 1 1 60 60 ARG HA H 1 4.532 0.020 . 1 . . . . 60 ARG HA . 15351 1 746 . 1 1 60 60 ARG HB2 H 1 1.941 0.020 . 2 . . . . 60 ARG HB2 . 15351 1 747 . 1 1 60 60 ARG HB3 H 1 1.739 0.020 . 2 . . . . 60 ARG HB3 . 15351 1 748 . 1 1 60 60 ARG HD2 H 1 3.158 0.020 . 2 . . . . 60 ARG HD2 . 15351 1 749 . 1 1 60 60 ARG HD3 H 1 3.158 0.020 . 2 . . . . 60 ARG HD3 . 15351 1 750 . 1 1 60 60 ARG HG2 H 1 1.716 0.020 . 2 . . . . 60 ARG HG2 . 15351 1 751 . 1 1 60 60 ARG HG3 H 1 1.546 0.020 . 2 . . . . 60 ARG HG3 . 15351 1 752 . 1 1 60 60 ARG C C 13 175.628 0.400 . 1 . . . . 60 ARG C . 15351 1 753 . 1 1 60 60 ARG CA C 13 56.566 0.400 . 1 . . . . 60 ARG CA . 15351 1 754 . 1 1 60 60 ARG CB C 13 31.133 0.400 . 1 . . . . 60 ARG CB . 15351 1 755 . 1 1 60 60 ARG CD C 13 43.579 0.400 . 1 . . . . 60 ARG CD . 15351 1 756 . 1 1 60 60 ARG CG C 13 27.928 0.400 . 1 . . . . 60 ARG CG . 15351 1 757 . 1 1 60 60 ARG N N 15 125.146 0.400 . 1 . . . . 60 ARG N . 15351 1 758 . 1 1 61 61 LYS H H 1 8.439 0.020 . 1 . . . . 61 LYS HN . 15351 1 759 . 1 1 61 61 LYS HA H 1 4.423 0.020 . 1 . . . . 61 LYS HA . 15351 1 760 . 1 1 61 61 LYS HB2 H 1 1.818 0.020 . 2 . . . . 61 LYS HB2 . 15351 1 761 . 1 1 61 61 LYS HB3 H 1 1.620 0.020 . 2 . . . . 61 LYS HB3 . 15351 1 762 . 1 1 61 61 LYS HD2 H 1 1.599 0.020 . 2 . . . . 61 LYS HD2 . 15351 1 763 . 1 1 61 61 LYS HD3 H 1 1.599 0.020 . 2 . . . . 61 LYS HD3 . 15351 1 764 . 1 1 61 61 LYS HE2 H 1 2.908 0.020 . 2 . . . . 61 LYS HE2 . 15351 1 765 . 1 1 61 61 LYS HE3 H 1 2.908 0.020 . 2 . . . . 61 LYS HE3 . 15351 1 766 . 1 1 61 61 LYS HG2 H 1 1.376 0.020 . 2 . . . . 61 LYS HG2 . 15351 1 767 . 1 1 61 61 LYS HG3 H 1 1.376 0.020 . 2 . . . . 61 LYS HG3 . 15351 1 768 . 1 1 61 61 LYS C C 13 175.716 0.400 . 1 . . . . 61 LYS C . 15351 1 769 . 1 1 61 61 LYS CA C 13 55.707 0.400 . 1 . . . . 61 LYS CA . 15351 1 770 . 1 1 61 61 LYS CB C 13 33.548 0.400 . 1 . . . . 61 LYS CB . 15351 1 771 . 1 1 61 61 LYS CD C 13 28.783 0.400 . 1 . . . . 61 LYS CD . 15351 1 772 . 1 1 61 61 LYS CE C 13 42.016 0.400 . 1 . . . . 61 LYS CE . 15351 1 773 . 1 1 61 61 LYS CG C 13 24.556 0.400 . 1 . . . . 61 LYS CG . 15351 1 774 . 1 1 61 61 LYS N N 15 124.640 0.400 . 1 . . . . 61 LYS N . 15351 1 775 . 1 1 62 62 ASN H H 1 8.570 0.020 . 1 . . . . 62 ASN HN . 15351 1 776 . 1 1 62 62 ASN HA H 1 4.773 0.020 . 1 . . . . 62 ASN HA . 15351 1 777 . 1 1 62 62 ASN HB2 H 1 2.852 0.020 . 2 . . . . 62 ASN HB2 . 15351 1 778 . 1 1 62 62 ASN HB3 H 1 2.762 0.020 . 2 . . . . 62 ASN HB3 . 15351 1 779 . 1 1 62 62 ASN C C 13 174.244 0.400 . 1 . . . . 62 ASN C . 15351 1 780 . 1 1 62 62 ASN CA C 13 53.453 0.400 . 1 . . . . 62 ASN CA . 15351 1 781 . 1 1 62 62 ASN CB C 13 39.183 0.400 . 1 . . . . 62 ASN CB . 15351 1 782 . 1 1 62 62 ASN N N 15 121.640 0.400 . 1 . . . . 62 ASN N . 15351 1 783 . 1 1 63 63 SER H H 1 7.866 0.020 . 1 . . . . 63 SER HN . 15351 1 784 . 1 1 63 63 SER HA H 1 4.225 0.020 . 1 . . . . 63 SER HA . 15351 1 785 . 1 1 63 63 SER HB2 H 1 3.839 0.020 . 2 . . . . 63 SER HB2 . 15351 1 786 . 1 1 63 63 SER HB3 H 1 3.839 0.020 . 2 . . . . 63 SER HB3 . 15351 1 787 . 1 1 63 63 SER CA C 13 60.004 0.400 . 1 . . . . 63 SER CA . 15351 1 788 . 1 1 63 63 SER CB C 13 64.861 0.400 . 1 . . . . 63 SER CB . 15351 1 789 . 1 1 63 63 SER N N 15 120.988 0.400 . 1 . . . . 63 SER N . 15351 1 stop_ save_