data_19427 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19427 _Entry.Title ; The solution structure of the C-terminal domain of BldD from Streptomyces coelicolor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-14 _Entry.Accession_date 2013-08-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Jeong-Mok Kim . . . 19427 2 Hyung-Sik Won . . . 19427 3 Sa-Ouk Kang . . . 19427 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19427 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacterial Proteins' . 19427 Biomolecular . 19427 'Nuclear Magnetic Resonance' . 19427 'Protein Structure' . 19427 Secondary . 19427 'Streptomyces coelicolor' . 19427 Tertiary . 19427 'Transcription Factors' . 19427 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19427 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 19427 '15N chemical shifts' 88 19427 '1H chemical shifts' 609 19427 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 . . 2014-02-03 2013-08-14 update BMRB 'update entry citation' 19427 1 . . 2013-11-26 2013-08-14 original author 'original release' 19427 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19427 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24356916 _Citation.Full_citation . _Citation.Title 'The C-terminal domain of the transcriptional regulator BldD from Streptomyces coelicolor A3(2) constitutes a novel fold of winged-helix domains.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _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 2013 _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 Jeong-Mok Kim . . . 19427 1 2 Hyung-Sik Won . . . 19427 1 3 Sa-Ouk Kang . . . 19427 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19427 _Assembly.ID 1 _Assembly.Name 'BldD-CTD monomer' _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 . _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 BldD-CTD 1 $BldD-CTD A . yes native no no . . . 19427 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BldD-CTD _Entity.Sf_category entity _Entity.Sf_framecode BldD-CTD _Entity.Entry_ID 19427 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BldD-CTD _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 ; MEPPPKLVLDLERLATVPAE KAGPLQRYAATIQSQRGDYN GKVLSIRQDDLRTLAVIYDQ SPSVLTEQLISWGVLDADAR RAVASHDEL ; _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 89 _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 9853.219 _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 2MC4 . "The Solution Structure Of The C-terminal Domain Of Bldd From Streptomyces Coelicolor" . . . . . 100.00 89 100.00 100.00 2.80e-55 . . . . 19427 1 2 no PDB 4OAZ . "Bldd Ctd-c-di-gmp Complex" . . . . . 100.00 92 100.00 100.00 2.46e-55 . . . . 19427 1 3 no DBJ GAP50531 . "transcriptional regulator [Streptomyces azureus]" . . . . . 97.75 172 97.70 100.00 3.17e-52 . . . . 19427 1 4 no EMBL CAB93369 . "putative DNA-binding protein [Streptomyces coelicolor A3(2)]" . . . . . 98.88 167 100.00 100.00 8.63e-54 . . . . 19427 1 5 no EMBL CQR65077 . "XRE Family Transcriptional Regulator [Streptomyces leeuwenhoekii]" . . . . . 97.75 167 98.85 100.00 1.18e-52 . . . . 19427 1 6 no GB AAC38279 . "putative DNA binding protein [Streptomyces coelicolor]" . . . . . 98.88 167 100.00 100.00 8.63e-54 . . . . 19427 1 7 no GB AEY88188 . "DNA-binding protein [Streptomyces hygroscopicus subsp. jinggangensis 5008]" . . . . . 97.75 167 97.70 100.00 3.50e-52 . . . . 19427 1 8 no GB AGF62344 . "DNA-binding protein [Streptomyces hygroscopicus subsp. jinggangensis TL01]" . . . . . 97.75 167 97.70 100.00 3.50e-52 . . . . 19427 1 9 no GB AIJ16957 . "DNA-binding protein [Streptomyces lividans TK24]" . . . . . 98.88 167 100.00 100.00 8.63e-54 . . . . 19427 1 10 no GB AIR97221 . "DNA-binding protein [Streptomyces glaucescens]" . . . . . 97.75 167 97.70 100.00 3.42e-52 . . . . 19427 1 11 no REF NP_625769 . "DNA-binding protein [Streptomyces coelicolor A3(2)]" . . . . . 98.88 167 100.00 100.00 8.63e-54 . . . . 19427 1 12 no REF WP_003977337 . "MULTISPECIES: DNA-binding protein [Streptomyces]" . . . . . 98.88 167 100.00 100.00 8.63e-54 . . . . 19427 1 13 no REF WP_003988955 . "XRE family transcriptional regulator [Streptomyces viridochromogenes]" . . . . . 97.75 167 98.85 100.00 8.72e-53 . . . . 19427 1 14 no REF WP_004990661 . "MULTISPECIES: XRE family transcriptional regulator [Streptomyces]" . . . . . 97.75 167 98.85 100.00 1.18e-52 . . . . 19427 1 15 no REF WP_006131213 . "MULTISPECIES: DNA-binding protein [Actinobacteria]" . . . . . 97.75 167 97.70 100.00 5.89e-52 . . . . 19427 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 . MET . 19427 1 2 . GLU . 19427 1 3 . PRO . 19427 1 4 . PRO . 19427 1 5 . PRO . 19427 1 6 . LYS . 19427 1 7 . LEU . 19427 1 8 . VAL . 19427 1 9 . LEU . 19427 1 10 . ASP . 19427 1 11 . LEU . 19427 1 12 . GLU . 19427 1 13 . ARG . 19427 1 14 . LEU . 19427 1 15 . ALA . 19427 1 16 . THR . 19427 1 17 . VAL . 19427 1 18 . PRO . 19427 1 19 . ALA . 19427 1 20 . GLU . 19427 1 21 . LYS . 19427 1 22 . ALA . 19427 1 23 . GLY . 19427 1 24 . PRO . 19427 1 25 . LEU . 19427 1 26 . GLN . 19427 1 27 . ARG . 19427 1 28 . TYR . 19427 1 29 . ALA . 19427 1 30 . ALA . 19427 1 31 . THR . 19427 1 32 . ILE . 19427 1 33 . GLN . 19427 1 34 . SER . 19427 1 35 . GLN . 19427 1 36 . ARG . 19427 1 37 . GLY . 19427 1 38 . ASP . 19427 1 39 . TYR . 19427 1 40 . ASN . 19427 1 41 . GLY . 19427 1 42 . LYS . 19427 1 43 . VAL . 19427 1 44 . LEU . 19427 1 45 . SER . 19427 1 46 . ILE . 19427 1 47 . ARG . 19427 1 48 . GLN . 19427 1 49 . ASP . 19427 1 50 . ASP . 19427 1 51 . LEU . 19427 1 52 . ARG . 19427 1 53 . THR . 19427 1 54 . LEU . 19427 1 55 . ALA . 19427 1 56 . VAL . 19427 1 57 . ILE . 19427 1 58 . TYR . 19427 1 59 . ASP . 19427 1 60 . GLN . 19427 1 61 . SER . 19427 1 62 . PRO . 19427 1 63 . SER . 19427 1 64 . VAL . 19427 1 65 . LEU . 19427 1 66 . THR . 19427 1 67 . GLU . 19427 1 68 . GLN . 19427 1 69 . LEU . 19427 1 70 . ILE . 19427 1 71 . SER . 19427 1 72 . TRP . 19427 1 73 . GLY . 19427 1 74 . VAL . 19427 1 75 . LEU . 19427 1 76 . ASP . 19427 1 77 . ALA . 19427 1 78 . ASP . 19427 1 79 . ALA . 19427 1 80 . ARG . 19427 1 81 . ARG . 19427 1 82 . ALA . 19427 1 83 . VAL . 19427 1 84 . ALA . 19427 1 85 . SER . 19427 1 86 . HIS . 19427 1 87 . ASP . 19427 1 88 . GLU . 19427 1 89 . LEU . 19427 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19427 1 . GLU 2 2 19427 1 . PRO 3 3 19427 1 . PRO 4 4 19427 1 . PRO 5 5 19427 1 . LYS 6 6 19427 1 . LEU 7 7 19427 1 . VAL 8 8 19427 1 . LEU 9 9 19427 1 . ASP 10 10 19427 1 . LEU 11 11 19427 1 . GLU 12 12 19427 1 . ARG 13 13 19427 1 . LEU 14 14 19427 1 . ALA 15 15 19427 1 . THR 16 16 19427 1 . VAL 17 17 19427 1 . PRO 18 18 19427 1 . ALA 19 19 19427 1 . GLU 20 20 19427 1 . LYS 21 21 19427 1 . ALA 22 22 19427 1 . GLY 23 23 19427 1 . PRO 24 24 19427 1 . LEU 25 25 19427 1 . GLN 26 26 19427 1 . ARG 27 27 19427 1 . TYR 28 28 19427 1 . ALA 29 29 19427 1 . ALA 30 30 19427 1 . THR 31 31 19427 1 . ILE 32 32 19427 1 . GLN 33 33 19427 1 . SER 34 34 19427 1 . GLN 35 35 19427 1 . ARG 36 36 19427 1 . GLY 37 37 19427 1 . ASP 38 38 19427 1 . TYR 39 39 19427 1 . ASN 40 40 19427 1 . GLY 41 41 19427 1 . LYS 42 42 19427 1 . VAL 43 43 19427 1 . LEU 44 44 19427 1 . SER 45 45 19427 1 . ILE 46 46 19427 1 . ARG 47 47 19427 1 . GLN 48 48 19427 1 . ASP 49 49 19427 1 . ASP 50 50 19427 1 . LEU 51 51 19427 1 . ARG 52 52 19427 1 . THR 53 53 19427 1 . LEU 54 54 19427 1 . ALA 55 55 19427 1 . VAL 56 56 19427 1 . ILE 57 57 19427 1 . TYR 58 58 19427 1 . ASP 59 59 19427 1 . GLN 60 60 19427 1 . SER 61 61 19427 1 . PRO 62 62 19427 1 . SER 63 63 19427 1 . VAL 64 64 19427 1 . LEU 65 65 19427 1 . THR 66 66 19427 1 . GLU 67 67 19427 1 . GLN 68 68 19427 1 . LEU 69 69 19427 1 . ILE 70 70 19427 1 . SER 71 71 19427 1 . TRP 72 72 19427 1 . GLY 73 73 19427 1 . VAL 74 74 19427 1 . LEU 75 75 19427 1 . ASP 76 76 19427 1 . ALA 77 77 19427 1 . ASP 78 78 19427 1 . ALA 79 79 19427 1 . ARG 80 80 19427 1 . ARG 81 81 19427 1 . ALA 82 82 19427 1 . VAL 83 83 19427 1 . ALA 84 84 19427 1 . SER 85 85 19427 1 . HIS 86 86 19427 1 . ASP 87 87 19427 1 . GLU 88 88 19427 1 . LEU 89 89 19427 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 19427 _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 $BldD-CTD . 1902 organism . 'Streptomyces coelicolor' 'high GC Gram+' . . Bacteria . Streptomyces coelicolor . . . . . . . . . . . . . . . . . . . . . 19427 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 19427 _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 $BldD-CTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3 pLysS' . . . . . . . . . . . . . . . pET-15b . . . . . . 19427 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19427 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BldD-CTD '[U-99% 13C; U-98% 15N]' . . 1 $BldD-CTD . . 2 . . mM . . . . 19427 1 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 19427 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19427 1 4 'sodium azide' 'natural abundance' . . . . . . 0.005 . . % . . . . 19427 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19427 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19427 1 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions_for_BldD-CTD _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_for_BldD-CTD _Sample_condition_list.Entry_ID 19427 _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' 190 . mM 19427 1 pH 6.8 . pH 19427 1 pressure 1 . atm 19427 1 temperature 295 . K 19427 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19427 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19427 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19427 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19427 _Software.ID 2 _Software.Name NMRDraw _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' . . 19427 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19427 2 processing 19427 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19427 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19427 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19427 3 'data analysis' 19427 3 'peak picking' 19427 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19427 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19427 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19427 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19427 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19427 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19427 5 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 19427 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19427 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'equipped with a cryoprobe' . . 19427 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 19427 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Conditions_for_BldD-CTD . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19427 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_for_BldD-CTD _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_for_BldD-CTD _Chem_shift_reference.Entry_ID 19427 _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 na indirect 0.251449530 . . . . . . . . . 19427 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19427 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19427 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_for_BldD-CTD _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_for_BldD-CTD _Assigned_chem_shift_list.Entry_ID 19427 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_for_BldD-CTD _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_for_BldD-CTD _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' . . . 19427 1 2 '2D 1H-13C HSQC' . . . 19427 1 3 '2D 1H-13C HSQC aliphatic' . . . 19427 1 4 '3D HNCACB' . . . 19427 1 5 '3D HN(CO)CACB' . . . 19427 1 6 '3D HNCO' . . . 19427 1 7 '3D HCCH-TOCSY' . . . 19427 1 8 '3D HCCH-COSY' . . . 19427 1 9 '3D 1H-15N TOCSY' . . . 19427 1 10 '3D 1H-15N NOESY' . . . 19427 1 11 '3D 1H-13C NOESY' . . . 19427 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 5 5 PRO HA H 1 4.401 0.040 . 1 . . . A 5 PRO HA . 19427 1 2 . 1 1 5 5 PRO HB2 H 1 1.753 0.040 . 2 . . . A 5 PRO HB2 . 19427 1 3 . 1 1 5 5 PRO HB3 H 1 2.188 0.040 . 2 . . . A 5 PRO HB3 . 19427 1 4 . 1 1 5 5 PRO HG2 H 1 1.927 0.040 . 2 . . . A 5 PRO HG2 . 19427 1 5 . 1 1 5 5 PRO HG3 H 1 1.927 0.040 . 2 . . . A 5 PRO HG3 . 19427 1 6 . 1 1 5 5 PRO HD2 H 1 3.746 0.040 . 2 . . . A 5 PRO HD2 . 19427 1 7 . 1 1 5 5 PRO HD3 H 1 3.601 0.040 . 2 . . . A 5 PRO HD3 . 19427 1 8 . 1 1 5 5 PRO C C 13 176.334 0.450 . 1 . . . A 5 PRO C . 19427 1 9 . 1 1 5 5 PRO CA C 13 62.783 0.450 . 1 . . . A 5 PRO CA . 19427 1 10 . 1 1 5 5 PRO CB C 13 32.354 0.450 . 1 . . . A 5 PRO CB . 19427 1 11 . 1 1 5 5 PRO CG C 13 27.668 0.450 . 1 . . . A 5 PRO CG . 19427 1 12 . 1 1 5 5 PRO CD C 13 50.416 0.450 . 1 . . . A 5 PRO CD . 19427 1 13 . 1 1 6 6 LYS H H 1 8.546 0.040 . 1 . . . A 6 LYS H . 19427 1 14 . 1 1 6 6 LYS HA H 1 4.374 0.040 . 1 . . . A 6 LYS HA . 19427 1 15 . 1 1 6 6 LYS HB2 H 1 1.754 0.040 . 2 . . . A 6 LYS HB2 . 19427 1 16 . 1 1 6 6 LYS HB3 H 1 1.754 0.040 . 2 . . . A 6 LYS HB3 . 19427 1 17 . 1 1 6 6 LYS HG2 H 1 1.487 0.040 . 2 . . . A 6 LYS HG2 . 19427 1 18 . 1 1 6 6 LYS HG3 H 1 1.365 0.040 . 2 . . . A 6 LYS HG3 . 19427 1 19 . 1 1 6 6 LYS HD2 H 1 1.666 0.040 . 2 . . . A 6 LYS HD2 . 19427 1 20 . 1 1 6 6 LYS HD3 H 1 1.666 0.040 . 2 . . . A 6 LYS HD3 . 19427 1 21 . 1 1 6 6 LYS HE2 H 1 2.958 0.040 . 2 . . . A 6 LYS HE2 . 19427 1 22 . 1 1 6 6 LYS HE3 H 1 2.958 0.040 . 2 . . . A 6 LYS HE3 . 19427 1 23 . 1 1 6 6 LYS C C 13 175.715 0.450 . 1 . . . A 6 LYS C . 19427 1 24 . 1 1 6 6 LYS CA C 13 56.172 0.450 . 1 . . . A 6 LYS CA . 19427 1 25 . 1 1 6 6 LYS CB C 13 33.270 0.450 . 1 . . . A 6 LYS CB . 19427 1 26 . 1 1 6 6 LYS CG C 13 25.005 0.450 . 1 . . . A 6 LYS CG . 19427 1 27 . 1 1 6 6 LYS CD C 13 29.293 0.450 . 1 . . . A 6 LYS CD . 19427 1 28 . 1 1 6 6 LYS CE C 13 42.307 0.450 . 1 . . . A 6 LYS CE . 19427 1 29 . 1 1 6 6 LYS N N 15 121.980 0.450 . 1 . . . A 6 LYS N . 19427 1 30 . 1 1 7 7 LEU H H 1 8.620 0.040 . 1 . . . A 7 LEU H . 19427 1 31 . 1 1 7 7 LEU HA H 1 4.523 0.040 . 1 . . . A 7 LEU HA . 19427 1 32 . 1 1 7 7 LEU HB2 H 1 1.932 0.040 . 2 . . . A 7 LEU HB2 . 19427 1 33 . 1 1 7 7 LEU HB3 H 1 1.110 0.040 . 2 . . . A 7 LEU HB3 . 19427 1 34 . 1 1 7 7 LEU HG H 1 1.561 0.040 . 1 . . . A 7 LEU HG . 19427 1 35 . 1 1 7 7 LEU HD11 H 1 0.801 0.040 . 2 . . . A 7 LEU HD11 . 19427 1 36 . 1 1 7 7 LEU HD12 H 1 0.801 0.040 . 2 . . . A 7 LEU HD12 . 19427 1 37 . 1 1 7 7 LEU HD13 H 1 0.801 0.040 . 2 . . . A 7 LEU HD13 . 19427 1 38 . 1 1 7 7 LEU HD21 H 1 0.761 0.040 . 2 . . . A 7 LEU HD21 . 19427 1 39 . 1 1 7 7 LEU HD22 H 1 0.761 0.040 . 2 . . . A 7 LEU HD22 . 19427 1 40 . 1 1 7 7 LEU HD23 H 1 0.761 0.040 . 2 . . . A 7 LEU HD23 . 19427 1 41 . 1 1 7 7 LEU C C 13 174.994 0.450 . 1 . . . A 7 LEU C . 19427 1 42 . 1 1 7 7 LEU CA C 13 54.050 0.450 . 1 . . . A 7 LEU CA . 19427 1 43 . 1 1 7 7 LEU CB C 13 43.171 0.450 . 1 . . . A 7 LEU CB . 19427 1 44 . 1 1 7 7 LEU CG C 13 26.772 0.450 . 1 . . . A 7 LEU CG . 19427 1 45 . 1 1 7 7 LEU CD1 C 13 24.478 0.450 . 2 . . . A 7 LEU CD1 . 19427 1 46 . 1 1 7 7 LEU CD2 C 13 25.816 0.450 . 2 . . . A 7 LEU CD2 . 19427 1 47 . 1 1 7 7 LEU N N 15 125.018 0.450 . 1 . . . A 7 LEU N . 19427 1 48 . 1 1 8 8 VAL H H 1 8.084 0.040 . 1 . . . A 8 VAL H . 19427 1 49 . 1 1 8 8 VAL HA H 1 4.547 0.040 . 1 . . . A 8 VAL HA . 19427 1 50 . 1 1 8 8 VAL HB H 1 1.904 0.040 . 1 . . . A 8 VAL HB . 19427 1 51 . 1 1 8 8 VAL HG11 H 1 0.846 0.040 . 2 . . . A 8 VAL HG11 . 19427 1 52 . 1 1 8 8 VAL HG12 H 1 0.846 0.040 . 2 . . . A 8 VAL HG12 . 19427 1 53 . 1 1 8 8 VAL HG13 H 1 0.846 0.040 . 2 . . . A 8 VAL HG13 . 19427 1 54 . 1 1 8 8 VAL HG21 H 1 0.807 0.040 . 2 . . . A 8 VAL HG21 . 19427 1 55 . 1 1 8 8 VAL HG22 H 1 0.807 0.040 . 2 . . . A 8 VAL HG22 . 19427 1 56 . 1 1 8 8 VAL HG23 H 1 0.807 0.040 . 2 . . . A 8 VAL HG23 . 19427 1 57 . 1 1 8 8 VAL C C 13 175.042 0.450 . 1 . . . A 8 VAL C . 19427 1 58 . 1 1 8 8 VAL CA C 13 61.206 0.450 . 1 . . . A 8 VAL CA . 19427 1 59 . 1 1 8 8 VAL CB C 13 34.596 0.450 . 1 . . . A 8 VAL CB . 19427 1 60 . 1 1 8 8 VAL CG1 C 13 20.888 0.450 . 2 . . . A 8 VAL CG1 . 19427 1 61 . 1 1 8 8 VAL CG2 C 13 21.923 0.450 . 2 . . . A 8 VAL CG2 . 19427 1 62 . 1 1 8 8 VAL N N 15 121.522 0.450 . 1 . . . A 8 VAL N . 19427 1 63 . 1 1 9 9 LEU H H 1 9.137 0.040 . 1 . . . A 9 LEU H . 19427 1 64 . 1 1 9 9 LEU HA H 1 4.940 0.040 . 1 . . . A 9 LEU HA . 19427 1 65 . 1 1 9 9 LEU HB2 H 1 1.822 0.040 . 2 . . . A 9 LEU HB2 . 19427 1 66 . 1 1 9 9 LEU HB3 H 1 1.300 0.040 . 2 . . . A 9 LEU HB3 . 19427 1 67 . 1 1 9 9 LEU HG H 1 1.716 0.040 . 1 . . . A 9 LEU HG . 19427 1 68 . 1 1 9 9 LEU HD11 H 1 0.871 0.040 . 2 . . . A 9 LEU HD11 . 19427 1 69 . 1 1 9 9 LEU HD12 H 1 0.871 0.040 . 2 . . . A 9 LEU HD12 . 19427 1 70 . 1 1 9 9 LEU HD13 H 1 0.871 0.040 . 2 . . . A 9 LEU HD13 . 19427 1 71 . 1 1 9 9 LEU HD21 H 1 0.783 0.040 . 2 . . . A 9 LEU HD21 . 19427 1 72 . 1 1 9 9 LEU HD22 H 1 0.783 0.040 . 2 . . . A 9 LEU HD22 . 19427 1 73 . 1 1 9 9 LEU HD23 H 1 0.783 0.040 . 2 . . . A 9 LEU HD23 . 19427 1 74 . 1 1 9 9 LEU C C 13 175.831 0.450 . 1 . . . A 9 LEU C . 19427 1 75 . 1 1 9 9 LEU CA C 13 53.546 0.450 . 1 . . . A 9 LEU CA . 19427 1 76 . 1 1 9 9 LEU CB C 13 44.233 0.450 . 1 . . . A 9 LEU CB . 19427 1 77 . 1 1 9 9 LEU CG C 13 27.040 0.450 . 1 . . . A 9 LEU CG . 19427 1 78 . 1 1 9 9 LEU CD1 C 13 26.342 0.450 . 2 . . . A 9 LEU CD1 . 19427 1 79 . 1 1 9 9 LEU CD2 C 13 24.638 0.450 . 2 . . . A 9 LEU CD2 . 19427 1 80 . 1 1 9 9 LEU N N 15 126.312 0.450 . 1 . . . A 9 LEU N . 19427 1 81 . 1 1 10 10 ASP H H 1 9.002 0.040 . 1 . . . A 10 ASP H . 19427 1 82 . 1 1 10 10 ASP HA H 1 4.848 0.040 . 1 . . . A 10 ASP HA . 19427 1 83 . 1 1 10 10 ASP HB2 H 1 3.067 0.040 . 2 . . . A 10 ASP HB2 . 19427 1 84 . 1 1 10 10 ASP HB3 H 1 2.669 0.040 . 2 . . . A 10 ASP HB3 . 19427 1 85 . 1 1 10 10 ASP C C 13 176.685 0.450 . 1 . . . A 10 ASP C . 19427 1 86 . 1 1 10 10 ASP CA C 13 53.593 0.450 . 1 . . . A 10 ASP CA . 19427 1 87 . 1 1 10 10 ASP CB C 13 40.820 0.450 . 1 . . . A 10 ASP CB . 19427 1 88 . 1 1 10 10 ASP N N 15 123.236 0.450 . 1 . . . A 10 ASP N . 19427 1 89 . 1 1 11 11 LEU H H 1 8.273 0.040 . 1 . . . A 11 LEU H . 19427 1 90 . 1 1 11 11 LEU HA H 1 4.066 0.040 . 1 . . . A 11 LEU HA . 19427 1 91 . 1 1 11 11 LEU HB2 H 1 1.691 0.040 . 2 . . . A 11 LEU HB2 . 19427 1 92 . 1 1 11 11 LEU HB3 H 1 1.482 0.040 . 2 . . . A 11 LEU HB3 . 19427 1 93 . 1 1 11 11 LEU HG H 1 1.478 0.040 . 1 . . . A 11 LEU HG . 19427 1 94 . 1 1 11 11 LEU HD11 H 1 0.745 0.040 . 2 . . . A 11 LEU HD11 . 19427 1 95 . 1 1 11 11 LEU HD12 H 1 0.745 0.040 . 2 . . . A 11 LEU HD12 . 19427 1 96 . 1 1 11 11 LEU HD13 H 1 0.745 0.040 . 2 . . . A 11 LEU HD13 . 19427 1 97 . 1 1 11 11 LEU HD21 H 1 0.727 0.040 . 2 . . . A 11 LEU HD21 . 19427 1 98 . 1 1 11 11 LEU HD22 H 1 0.727 0.040 . 2 . . . A 11 LEU HD22 . 19427 1 99 . 1 1 11 11 LEU HD23 H 1 0.727 0.040 . 2 . . . A 11 LEU HD23 . 19427 1 100 . 1 1 11 11 LEU C C 13 180.169 0.450 . 1 . . . A 11 LEU C . 19427 1 101 . 1 1 11 11 LEU CA C 13 57.013 0.450 . 1 . . . A 11 LEU CA . 19427 1 102 . 1 1 11 11 LEU CB C 13 40.850 0.450 . 1 . . . A 11 LEU CB . 19427 1 103 . 1 1 11 11 LEU CG C 13 26.984 0.450 . 1 . . . A 11 LEU CG . 19427 1 104 . 1 1 11 11 LEU CD1 C 13 26.008 0.450 . 2 . . . A 11 LEU CD1 . 19427 1 105 . 1 1 11 11 LEU CD2 C 13 22.239 0.450 . 2 . . . A 11 LEU CD2 . 19427 1 106 . 1 1 11 11 LEU N N 15 124.059 0.450 . 1 . . . A 11 LEU N . 19427 1 107 . 1 1 12 12 GLU H H 1 8.273 0.040 . 1 . . . A 12 GLU H . 19427 1 108 . 1 1 12 12 GLU HA H 1 4.174 0.040 . 1 . . . A 12 GLU HA . 19427 1 109 . 1 1 12 12 GLU HB2 H 1 2.227 0.040 . 2 . . . A 12 GLU HB2 . 19427 1 110 . 1 1 12 12 GLU HB3 H 1 2.227 0.040 . 2 . . . A 12 GLU HB3 . 19427 1 111 . 1 1 12 12 GLU HG2 H 1 2.442 0.040 . 2 . . . A 12 GLU HG2 . 19427 1 112 . 1 1 12 12 GLU HG3 H 1 2.217 0.040 . 2 . . . A 12 GLU HG3 . 19427 1 113 . 1 1 12 12 GLU C C 13 179.719 0.450 . 1 . . . A 12 GLU C . 19427 1 114 . 1 1 12 12 GLU CA C 13 59.628 0.450 . 1 . . . A 12 GLU CA . 19427 1 115 . 1 1 12 12 GLU CB C 13 29.560 0.450 . 1 . . . A 12 GLU CB . 19427 1 116 . 1 1 12 12 GLU CG C 13 37.219 0.450 . 1 . . . A 12 GLU CG . 19427 1 117 . 1 1 12 12 GLU N N 15 121.967 0.450 . 1 . . . A 12 GLU N . 19427 1 118 . 1 1 13 13 ARG H H 1 8.081 0.040 . 1 . . . A 13 ARG H . 19427 1 119 . 1 1 13 13 ARG HA H 1 4.172 0.040 . 1 . . . A 13 ARG HA . 19427 1 120 . 1 1 13 13 ARG HB2 H 1 1.782 0.040 . 2 . . . A 13 ARG HB2 . 19427 1 121 . 1 1 13 13 ARG HB3 H 1 1.782 0.040 . 2 . . . A 13 ARG HB3 . 19427 1 122 . 1 1 13 13 ARG HG2 H 1 1.673 0.040 . 2 . . . A 13 ARG HG2 . 19427 1 123 . 1 1 13 13 ARG HG3 H 1 1.673 0.040 . 2 . . . A 13 ARG HG3 . 19427 1 124 . 1 1 13 13 ARG HD2 H 1 3.253 0.040 . 2 . . . A 13 ARG HD2 . 19427 1 125 . 1 1 13 13 ARG HD3 H 1 3.253 0.040 . 2 . . . A 13 ARG HD3 . 19427 1 126 . 1 1 13 13 ARG C C 13 179.909 0.450 . 1 . . . A 13 ARG C . 19427 1 127 . 1 1 13 13 ARG CA C 13 57.311 0.450 . 1 . . . A 13 ARG CA . 19427 1 128 . 1 1 13 13 ARG CB C 13 29.555 0.450 . 1 . . . A 13 ARG CB . 19427 1 129 . 1 1 13 13 ARG CG C 13 26.994 0.450 . 1 . . . A 13 ARG CG . 19427 1 130 . 1 1 13 13 ARG CD C 13 42.748 0.450 . 1 . . . A 13 ARG CD . 19427 1 131 . 1 1 13 13 ARG N N 15 119.595 0.450 . 1 . . . A 13 ARG N . 19427 1 132 . 1 1 14 14 LEU H H 1 8.205 0.040 . 1 . . . A 14 LEU H . 19427 1 133 . 1 1 14 14 LEU HA H 1 3.947 0.040 . 1 . . . A 14 LEU HA . 19427 1 134 . 1 1 14 14 LEU HB2 H 1 2.071 0.040 . 2 . . . A 14 LEU HB2 . 19427 1 135 . 1 1 14 14 LEU HB3 H 1 1.593 0.040 . 2 . . . A 14 LEU HB3 . 19427 1 136 . 1 1 14 14 LEU HG H 1 1.809 0.040 . 1 . . . A 14 LEU HG . 19427 1 137 . 1 1 14 14 LEU HD11 H 1 1.068 0.040 . 2 . . . A 14 LEU HD11 . 19427 1 138 . 1 1 14 14 LEU HD12 H 1 1.068 0.040 . 2 . . . A 14 LEU HD12 . 19427 1 139 . 1 1 14 14 LEU HD13 H 1 1.068 0.040 . 2 . . . A 14 LEU HD13 . 19427 1 140 . 1 1 14 14 LEU HD21 H 1 0.894 0.040 . 2 . . . A 14 LEU HD21 . 19427 1 141 . 1 1 14 14 LEU HD22 H 1 0.894 0.040 . 2 . . . A 14 LEU HD22 . 19427 1 142 . 1 1 14 14 LEU HD23 H 1 0.894 0.040 . 2 . . . A 14 LEU HD23 . 19427 1 143 . 1 1 14 14 LEU C C 13 177.166 0.450 . 1 . . . A 14 LEU C . 19427 1 144 . 1 1 14 14 LEU CA C 13 57.574 0.450 . 1 . . . A 14 LEU CA . 19427 1 145 . 1 1 14 14 LEU CB C 13 41.798 0.450 . 1 . . . A 14 LEU CB . 19427 1 146 . 1 1 14 14 LEU CG C 13 27.218 0.450 . 1 . . . A 14 LEU CG . 19427 1 147 . 1 1 14 14 LEU CD1 C 13 24.550 0.450 . 2 . . . A 14 LEU CD1 . 19427 1 148 . 1 1 14 14 LEU CD2 C 13 26.590 0.450 . 2 . . . A 14 LEU CD2 . 19427 1 149 . 1 1 14 14 LEU N N 15 120.325 0.450 . 1 . . . A 14 LEU N . 19427 1 150 . 1 1 15 15 ALA H H 1 7.265 0.040 . 1 . . . A 15 ALA H . 19427 1 151 . 1 1 15 15 ALA HA H 1 4.125 0.040 . 1 . . . A 15 ALA HA . 19427 1 152 . 1 1 15 15 ALA HB1 H 1 1.552 0.040 . 1 . . . A 15 ALA HB1 . 19427 1 153 . 1 1 15 15 ALA HB2 H 1 1.552 0.040 . 1 . . . A 15 ALA HB2 . 19427 1 154 . 1 1 15 15 ALA HB3 H 1 1.552 0.040 . 1 . . . A 15 ALA HB3 . 19427 1 155 . 1 1 15 15 ALA C C 13 178.500 0.450 . 1 . . . A 15 ALA C . 19427 1 156 . 1 1 15 15 ALA CA C 13 54.320 0.450 . 1 . . . A 15 ALA CA . 19427 1 157 . 1 1 15 15 ALA CB C 13 18.712 0.450 . 1 . . . A 15 ALA CB . 19427 1 158 . 1 1 15 15 ALA N N 15 117.835 0.450 . 1 . . . A 15 ALA N . 19427 1 159 . 1 1 16 16 THR H H 1 7.530 0.040 . 1 . . . A 16 THR H . 19427 1 160 . 1 1 16 16 THR HA H 1 4.378 0.040 . 1 . . . A 16 THR HA . 19427 1 161 . 1 1 16 16 THR HB H 1 4.452 0.040 . 1 . . . A 16 THR HB . 19427 1 162 . 1 1 16 16 THR HG21 H 1 1.268 0.040 . 1 . . . A 16 THR HG21 . 19427 1 163 . 1 1 16 16 THR HG22 H 1 1.268 0.040 . 1 . . . A 16 THR HG22 . 19427 1 164 . 1 1 16 16 THR HG23 H 1 1.268 0.040 . 1 . . . A 16 THR HG23 . 19427 1 165 . 1 1 16 16 THR C C 13 174.639 0.450 . 1 . . . A 16 THR C . 19427 1 166 . 1 1 16 16 THR CA C 13 61.642 0.450 . 1 . . . A 16 THR CA . 19427 1 167 . 1 1 16 16 THR CB C 13 69.957 0.450 . 1 . . . A 16 THR CB . 19427 1 168 . 1 1 16 16 THR CG2 C 13 21.728 0.450 . 1 . . . A 16 THR CG2 . 19427 1 169 . 1 1 16 16 THR N N 15 105.967 0.450 . 1 . . . A 16 THR N . 19427 1 170 . 1 1 17 17 VAL H H 1 7.208 0.040 . 1 . . . A 17 VAL H . 19427 1 171 . 1 1 17 17 VAL HA H 1 3.985 0.040 . 1 . . . A 17 VAL HA . 19427 1 172 . 1 1 17 17 VAL HB H 1 1.674 0.040 . 1 . . . A 17 VAL HB . 19427 1 173 . 1 1 17 17 VAL HG11 H 1 0.737 0.040 . 2 . . . A 17 VAL HG11 . 19427 1 174 . 1 1 17 17 VAL HG12 H 1 0.737 0.040 . 2 . . . A 17 VAL HG12 . 19427 1 175 . 1 1 17 17 VAL HG13 H 1 0.737 0.040 . 2 . . . A 17 VAL HG13 . 19427 1 176 . 1 1 17 17 VAL HG21 H 1 0.036 0.040 . 2 . . . A 17 VAL HG21 . 19427 1 177 . 1 1 17 17 VAL HG22 H 1 0.036 0.040 . 2 . . . A 17 VAL HG22 . 19427 1 178 . 1 1 17 17 VAL HG23 H 1 0.036 0.040 . 2 . . . A 17 VAL HG23 . 19427 1 179 . 1 1 17 17 VAL CA C 13 60.535 0.450 . 1 . . . A 17 VAL CA . 19427 1 180 . 1 1 17 17 VAL CB C 13 32.388 0.450 . 1 . . . A 17 VAL CB . 19427 1 181 . 1 1 17 17 VAL CG1 C 13 21.854 0.450 . 2 . . . A 17 VAL CG1 . 19427 1 182 . 1 1 17 17 VAL CG2 C 13 20.149 0.450 . 2 . . . A 17 VAL CG2 . 19427 1 183 . 1 1 17 17 VAL N N 15 126.962 0.450 . 1 . . . A 17 VAL N . 19427 1 184 . 1 1 18 18 PRO HA H 1 4.268 0.040 . 1 . . . A 18 PRO HA . 19427 1 185 . 1 1 18 18 PRO HB2 H 1 1.783 0.040 . 2 . . . A 18 PRO HB2 . 19427 1 186 . 1 1 18 18 PRO HB3 H 1 2.462 0.040 . 2 . . . A 18 PRO HB3 . 19427 1 187 . 1 1 18 18 PRO HG2 H 1 2.029 0.040 . 2 . . . A 18 PRO HG2 . 19427 1 188 . 1 1 18 18 PRO HG3 H 1 2.029 0.040 . 2 . . . A 18 PRO HG3 . 19427 1 189 . 1 1 18 18 PRO HD2 H 1 3.834 0.040 . 2 . . . A 18 PRO HD2 . 19427 1 190 . 1 1 18 18 PRO HD3 H 1 3.320 0.040 . 2 . . . A 18 PRO HD3 . 19427 1 191 . 1 1 18 18 PRO C C 13 178.094 0.450 . 1 . . . A 18 PRO C . 19427 1 192 . 1 1 18 18 PRO CA C 13 63.848 0.450 . 1 . . . A 18 PRO CA . 19427 1 193 . 1 1 18 18 PRO CB C 13 32.711 0.450 . 1 . . . A 18 PRO CB . 19427 1 194 . 1 1 18 18 PRO CG C 13 28.105 0.450 . 1 . . . A 18 PRO CG . 19427 1 195 . 1 1 18 18 PRO CD C 13 51.086 0.450 . 1 . . . A 18 PRO CD . 19427 1 196 . 1 1 19 19 ALA H H 1 8.872 0.040 . 1 . . . A 19 ALA H . 19427 1 197 . 1 1 19 19 ALA HA H 1 3.944 0.040 . 1 . . . A 19 ALA HA . 19427 1 198 . 1 1 19 19 ALA HB1 H 1 1.475 0.040 . 1 . . . A 19 ALA HB1 . 19427 1 199 . 1 1 19 19 ALA HB2 H 1 1.475 0.040 . 1 . . . A 19 ALA HB2 . 19427 1 200 . 1 1 19 19 ALA HB3 H 1 1.475 0.040 . 1 . . . A 19 ALA HB3 . 19427 1 201 . 1 1 19 19 ALA C C 13 180.008 0.450 . 1 . . . A 19 ALA C . 19427 1 202 . 1 1 19 19 ALA CA C 13 55.317 0.450 . 1 . . . A 19 ALA CA . 19427 1 203 . 1 1 19 19 ALA CB C 13 18.914 0.450 . 1 . . . A 19 ALA CB . 19427 1 204 . 1 1 19 19 ALA N N 15 128.383 0.450 . 1 . . . A 19 ALA N . 19427 1 205 . 1 1 20 20 GLU H H 1 9.459 0.040 . 1 . . . A 20 GLU H . 19427 1 206 . 1 1 20 20 GLU HA H 1 4.114 0.040 . 1 . . . A 20 GLU HA . 19427 1 207 . 1 1 20 20 GLU HB2 H 1 2.073 0.040 . 2 . . . A 20 GLU HB2 . 19427 1 208 . 1 1 20 20 GLU HB3 H 1 2.045 0.040 . 2 . . . A 20 GLU HB3 . 19427 1 209 . 1 1 20 20 GLU HG2 H 1 2.331 0.040 . 2 . . . A 20 GLU HG2 . 19427 1 210 . 1 1 20 20 GLU HG3 H 1 2.331 0.040 . 2 . . . A 20 GLU HG3 . 19427 1 211 . 1 1 20 20 GLU C C 13 177.573 0.450 . 1 . . . A 20 GLU C . 19427 1 212 . 1 1 20 20 GLU CA C 13 59.636 0.450 . 1 . . . A 20 GLU CA . 19427 1 213 . 1 1 20 20 GLU CB C 13 28.838 0.450 . 1 . . . A 20 GLU CB . 19427 1 214 . 1 1 20 20 GLU CG C 13 36.376 0.450 . 1 . . . A 20 GLU CG . 19427 1 215 . 1 1 20 20 GLU N N 15 118.522 0.450 . 1 . . . A 20 GLU N . 19427 1 216 . 1 1 21 21 LYS H H 1 7.441 0.040 . 1 . . . A 21 LYS H . 19427 1 217 . 1 1 21 21 LYS HA H 1 4.652 0.040 . 1 . . . A 21 LYS HA . 19427 1 218 . 1 1 21 21 LYS HB2 H 1 1.823 0.040 . 2 . . . A 21 LYS HB2 . 19427 1 219 . 1 1 21 21 LYS HB3 H 1 1.524 0.040 . 2 . . . A 21 LYS HB3 . 19427 1 220 . 1 1 21 21 LYS HG2 H 1 1.434 0.040 . 2 . . . A 21 LYS HG2 . 19427 1 221 . 1 1 21 21 LYS HG3 H 1 1.434 0.040 . 2 . . . A 21 LYS HG3 . 19427 1 222 . 1 1 21 21 LYS HD2 H 1 1.678 0.040 . 2 . . . A 21 LYS HD2 . 19427 1 223 . 1 1 21 21 LYS HD3 H 1 1.567 0.040 . 2 . . . A 21 LYS HD3 . 19427 1 224 . 1 1 21 21 LYS HE2 H 1 2.947 0.040 . 2 . . . A 21 LYS HE2 . 19427 1 225 . 1 1 21 21 LYS HE3 H 1 2.947 0.040 . 2 . . . A 21 LYS HE3 . 19427 1 226 . 1 1 21 21 LYS C C 13 177.045 0.450 . 1 . . . A 21 LYS C . 19427 1 227 . 1 1 21 21 LYS CA C 13 56.987 0.450 . 1 . . . A 21 LYS CA . 19427 1 228 . 1 1 21 21 LYS CB C 13 33.952 0.450 . 1 . . . A 21 LYS CB . 19427 1 229 . 1 1 21 21 LYS CG C 13 25.360 0.450 . 1 . . . A 21 LYS CG . 19427 1 230 . 1 1 21 21 LYS CD C 13 29.390 0.450 . 1 . . . A 21 LYS CD . 19427 1 231 . 1 1 21 21 LYS CE C 13 42.261 0.450 . 1 . . . A 21 LYS CE . 19427 1 232 . 1 1 21 21 LYS N N 15 115.147 0.450 . 1 . . . A 21 LYS N . 19427 1 233 . 1 1 22 22 ALA H H 1 8.096 0.040 . 1 . . . A 22 ALA H . 19427 1 234 . 1 1 22 22 ALA HA H 1 4.144 0.040 . 1 . . . A 22 ALA HA . 19427 1 235 . 1 1 22 22 ALA HB1 H 1 1.044 0.040 . 1 . . . A 22 ALA HB1 . 19427 1 236 . 1 1 22 22 ALA HB2 H 1 1.044 0.040 . 1 . . . A 22 ALA HB2 . 19427 1 237 . 1 1 22 22 ALA HB3 H 1 1.044 0.040 . 1 . . . A 22 ALA HB3 . 19427 1 238 . 1 1 22 22 ALA C C 13 177.520 0.450 . 1 . . . A 22 ALA C . 19427 1 239 . 1 1 22 22 ALA CA C 13 53.181 0.450 . 1 . . . A 22 ALA CA . 19427 1 240 . 1 1 22 22 ALA CB C 13 20.231 0.450 . 1 . . . A 22 ALA CB . 19427 1 241 . 1 1 22 22 ALA N N 15 119.898 0.450 . 1 . . . A 22 ALA N . 19427 1 242 . 1 1 23 23 GLY H H 1 8.484 0.040 . 1 . . . A 23 GLY H . 19427 1 243 . 1 1 23 23 GLY HA2 H 1 4.187 0.040 . 2 . . . A 23 GLY HA2 . 19427 1 244 . 1 1 23 23 GLY HA3 H 1 4.089 0.040 . 2 . . . A 23 GLY HA3 . 19427 1 245 . 1 1 23 23 GLY CA C 13 49.012 0.450 . 1 . . . A 23 GLY CA . 19427 1 246 . 1 1 23 23 GLY N N 15 107.148 0.450 . 1 . . . A 23 GLY N . 19427 1 247 . 1 1 24 24 PRO HA H 1 4.174 0.040 . 1 . . . A 24 PRO HA . 19427 1 248 . 1 1 24 24 PRO HB2 H 1 1.349 0.040 . 2 . . . A 24 PRO HB2 . 19427 1 249 . 1 1 24 24 PRO HB3 H 1 1.999 0.040 . 2 . . . A 24 PRO HB3 . 19427 1 250 . 1 1 24 24 PRO HG2 H 1 1.685 0.040 . 2 . . . A 24 PRO HG2 . 19427 1 251 . 1 1 24 24 PRO HG3 H 1 1.685 0.040 . 2 . . . A 24 PRO HG3 . 19427 1 252 . 1 1 24 24 PRO HD2 H 1 3.621 0.040 . 2 . . . A 24 PRO HD2 . 19427 1 253 . 1 1 24 24 PRO HD3 H 1 3.621 0.040 . 2 . . . A 24 PRO HD3 . 19427 1 254 . 1 1 24 24 PRO C C 13 179.318 0.450 . 1 . . . A 24 PRO C . 19427 1 255 . 1 1 24 24 PRO CA C 13 65.953 0.450 . 1 . . . A 24 PRO CA . 19427 1 256 . 1 1 24 24 PRO CB C 13 31.371 0.450 . 1 . . . A 24 PRO CB . 19427 1 257 . 1 1 24 24 PRO CG C 13 28.014 0.450 . 1 . . . A 24 PRO CG . 19427 1 258 . 1 1 24 24 PRO CD C 13 50.763 0.450 . 1 . . . A 24 PRO CD . 19427 1 259 . 1 1 25 25 LEU H H 1 7.394 0.040 . 1 . . . A 25 LEU H . 19427 1 260 . 1 1 25 25 LEU HA H 1 4.356 0.040 . 1 . . . A 25 LEU HA . 19427 1 261 . 1 1 25 25 LEU HB2 H 1 2.228 0.040 . 2 . . . A 25 LEU HB2 . 19427 1 262 . 1 1 25 25 LEU HB3 H 1 2.044 0.040 . 2 . . . A 25 LEU HB3 . 19427 1 263 . 1 1 25 25 LEU HG H 1 1.804 0.040 . 1 . . . A 25 LEU HG . 19427 1 264 . 1 1 25 25 LEU HD11 H 1 1.104 0.040 . 2 . . . A 25 LEU HD11 . 19427 1 265 . 1 1 25 25 LEU HD12 H 1 1.104 0.040 . 2 . . . A 25 LEU HD12 . 19427 1 266 . 1 1 25 25 LEU HD13 H 1 1.104 0.040 . 2 . . . A 25 LEU HD13 . 19427 1 267 . 1 1 25 25 LEU HD21 H 1 1.126 0.040 . 2 . . . A 25 LEU HD21 . 19427 1 268 . 1 1 25 25 LEU HD22 H 1 1.126 0.040 . 2 . . . A 25 LEU HD22 . 19427 1 269 . 1 1 25 25 LEU HD23 H 1 1.126 0.040 . 2 . . . A 25 LEU HD23 . 19427 1 270 . 1 1 25 25 LEU C C 13 177.871 0.450 . 1 . . . A 25 LEU C . 19427 1 271 . 1 1 25 25 LEU CA C 13 57.935 0.450 . 1 . . . A 25 LEU CA . 19427 1 272 . 1 1 25 25 LEU CB C 13 42.350 0.450 . 1 . . . A 25 LEU CB . 19427 1 273 . 1 1 25 25 LEU CG C 13 27.989 0.450 . 1 . . . A 25 LEU CG . 19427 1 274 . 1 1 25 25 LEU CD1 C 13 28.011 0.450 . 2 . . . A 25 LEU CD1 . 19427 1 275 . 1 1 25 25 LEU CD2 C 13 24.902 0.450 . 2 . . . A 25 LEU CD2 . 19427 1 276 . 1 1 25 25 LEU N N 15 118.416 0.450 . 1 . . . A 25 LEU N . 19427 1 277 . 1 1 26 26 GLN H H 1 8.885 0.040 . 1 . . . A 26 GLN H . 19427 1 278 . 1 1 26 26 GLN HA H 1 3.894 0.040 . 1 . . . A 26 GLN HA . 19427 1 279 . 1 1 26 26 GLN HB2 H 1 2.455 0.040 . 2 . . . A 26 GLN HB2 . 19427 1 280 . 1 1 26 26 GLN HB3 H 1 1.985 0.040 . 2 . . . A 26 GLN HB3 . 19427 1 281 . 1 1 26 26 GLN HG2 H 1 2.419 0.040 . 2 . . . A 26 GLN HG2 . 19427 1 282 . 1 1 26 26 GLN HG3 H 1 2.320 0.040 . 2 . . . A 26 GLN HG3 . 19427 1 283 . 1 1 26 26 GLN HE21 H 1 7.110 0.040 . 2 . . . A 26 GLN HE21 . 19427 1 284 . 1 1 26 26 GLN HE22 H 1 6.674 0.040 . 2 . . . A 26 GLN HE22 . 19427 1 285 . 1 1 26 26 GLN C C 13 179.865 0.450 . 1 . . . A 26 GLN C . 19427 1 286 . 1 1 26 26 GLN CA C 13 59.771 0.450 . 1 . . . A 26 GLN CA . 19427 1 287 . 1 1 26 26 GLN CB C 13 27.554 0.450 . 1 . . . A 26 GLN CB . 19427 1 288 . 1 1 26 26 GLN CG C 13 34.271 0.450 . 1 . . . A 26 GLN CG . 19427 1 289 . 1 1 26 26 GLN N N 15 119.819 0.450 . 1 . . . A 26 GLN N . 19427 1 290 . 1 1 26 26 GLN NE2 N 15 109.960 0.450 . 1 . . . A 26 GLN NE2 . 19427 1 291 . 1 1 27 27 ARG H H 1 8.694 0.040 . 1 . . . A 27 ARG H . 19427 1 292 . 1 1 27 27 ARG HA H 1 4.141 0.040 . 1 . . . A 27 ARG HA . 19427 1 293 . 1 1 27 27 ARG HB2 H 1 1.968 0.040 . 2 . . . A 27 ARG HB2 . 19427 1 294 . 1 1 27 27 ARG HB3 H 1 1.908 0.040 . 2 . . . A 27 ARG HB3 . 19427 1 295 . 1 1 27 27 ARG HG2 H 1 1.875 0.040 . 2 . . . A 27 ARG HG2 . 19427 1 296 . 1 1 27 27 ARG HG3 H 1 1.585 0.040 . 2 . . . A 27 ARG HG3 . 19427 1 297 . 1 1 27 27 ARG HD2 H 1 3.308 0.040 . 2 . . . A 27 ARG HD2 . 19427 1 298 . 1 1 27 27 ARG HD3 H 1 3.162 0.040 . 2 . . . A 27 ARG HD3 . 19427 1 299 . 1 1 27 27 ARG C C 13 178.950 0.450 . 1 . . . A 27 ARG C . 19427 1 300 . 1 1 27 27 ARG CA C 13 59.636 0.450 . 1 . . . A 27 ARG CA . 19427 1 301 . 1 1 27 27 ARG CB C 13 30.416 0.450 . 1 . . . A 27 ARG CB . 19427 1 302 . 1 1 27 27 ARG CG C 13 28.111 0.450 . 1 . . . A 27 ARG CG . 19427 1 303 . 1 1 27 27 ARG CD C 13 43.624 0.450 . 1 . . . A 27 ARG CD . 19427 1 304 . 1 1 27 27 ARG N N 15 119.761 0.450 . 1 . . . A 27 ARG N . 19427 1 305 . 1 1 28 28 TYR H H 1 8.211 0.040 . 1 . . . A 28 TYR H . 19427 1 306 . 1 1 28 28 TYR HA H 1 4.171 0.040 . 1 . . . A 28 TYR HA . 19427 1 307 . 1 1 28 28 TYR HB2 H 1 3.211 0.040 . 2 . . . A 28 TYR HB2 . 19427 1 308 . 1 1 28 28 TYR HB3 H 1 3.133 0.040 . 2 . . . A 28 TYR HB3 . 19427 1 309 . 1 1 28 28 TYR HD1 H 1 6.917 0.040 . 3 . . . A 28 TYR HD1 . 19427 1 310 . 1 1 28 28 TYR HD2 H 1 6.854 0.040 . 3 . . . A 28 TYR HD2 . 19427 1 311 . 1 1 28 28 TYR HE1 H 1 6.667 0.040 . 3 . . . A 28 TYR HE1 . 19427 1 312 . 1 1 28 28 TYR HE2 H 1 6.667 0.040 . 3 . . . A 28 TYR HE2 . 19427 1 313 . 1 1 28 28 TYR C C 13 177.843 0.450 . 1 . . . A 28 TYR C . 19427 1 314 . 1 1 28 28 TYR CA C 13 62.278 0.450 . 1 . . . A 28 TYR CA . 19427 1 315 . 1 1 28 28 TYR CB C 13 39.713 0.450 . 1 . . . A 28 TYR CB . 19427 1 316 . 1 1 28 28 TYR CD1 C 13 132.664 0.450 . 3 . . . A 28 TYR CD1 . 19427 1 317 . 1 1 28 28 TYR CD2 C 13 132.664 0.450 . 3 . . . A 28 TYR CD2 . 19427 1 318 . 1 1 28 28 TYR CE1 C 13 118.036 0.450 . 3 . . . A 28 TYR CE1 . 19427 1 319 . 1 1 28 28 TYR CE2 C 13 118.136 0.450 . 3 . . . A 28 TYR CE2 . 19427 1 320 . 1 1 28 28 TYR N N 15 122.540 0.450 . 1 . . . A 28 TYR N . 19427 1 321 . 1 1 29 29 ALA H H 1 9.065 0.040 . 1 . . . A 29 ALA H . 19427 1 322 . 1 1 29 29 ALA HA H 1 3.762 0.040 . 1 . . . A 29 ALA HA . 19427 1 323 . 1 1 29 29 ALA HB1 H 1 1.349 0.040 . 1 . . . A 29 ALA HB1 . 19427 1 324 . 1 1 29 29 ALA HB2 H 1 1.349 0.040 . 1 . . . A 29 ALA HB2 . 19427 1 325 . 1 1 29 29 ALA HB3 H 1 1.349 0.040 . 1 . . . A 29 ALA HB3 . 19427 1 326 . 1 1 29 29 ALA C C 13 178.739 0.450 . 1 . . . A 29 ALA C . 19427 1 327 . 1 1 29 29 ALA CA C 13 55.185 0.450 . 1 . . . A 29 ALA CA . 19427 1 328 . 1 1 29 29 ALA CB C 13 17.929 0.450 . 1 . . . A 29 ALA CB . 19427 1 329 . 1 1 29 29 ALA N N 15 120.477 0.450 . 1 . . . A 29 ALA N . 19427 1 330 . 1 1 30 30 ALA H H 1 7.741 0.040 . 1 . . . A 30 ALA H . 19427 1 331 . 1 1 30 30 ALA HA H 1 4.287 0.040 . 1 . . . A 30 ALA HA . 19427 1 332 . 1 1 30 30 ALA HB1 H 1 1.553 0.040 . 1 . . . A 30 ALA HB1 . 19427 1 333 . 1 1 30 30 ALA HB2 H 1 1.553 0.040 . 1 . . . A 30 ALA HB2 . 19427 1 334 . 1 1 30 30 ALA HB3 H 1 1.553 0.040 . 1 . . . A 30 ALA HB3 . 19427 1 335 . 1 1 30 30 ALA C C 13 180.895 0.450 . 1 . . . A 30 ALA C . 19427 1 336 . 1 1 30 30 ALA CA C 13 55.076 0.450 . 1 . . . A 30 ALA CA . 19427 1 337 . 1 1 30 30 ALA CB C 13 18.086 0.450 . 1 . . . A 30 ALA CB . 19427 1 338 . 1 1 30 30 ALA N N 15 118.596 0.450 . 1 . . . A 30 ALA N . 19427 1 339 . 1 1 31 31 THR H H 1 7.914 0.040 . 1 . . . A 31 THR H . 19427 1 340 . 1 1 31 31 THR HA H 1 3.995 0.040 . 1 . . . A 31 THR HA . 19427 1 341 . 1 1 31 31 THR HB H 1 4.260 0.040 . 1 . . . A 31 THR HB . 19427 1 342 . 1 1 31 31 THR HG21 H 1 1.170 0.040 . 1 . . . A 31 THR HG21 . 19427 1 343 . 1 1 31 31 THR HG22 H 1 1.170 0.040 . 1 . . . A 31 THR HG22 . 19427 1 344 . 1 1 31 31 THR HG23 H 1 1.170 0.040 . 1 . . . A 31 THR HG23 . 19427 1 345 . 1 1 31 31 THR C C 13 176.687 0.450 . 1 . . . A 31 THR C . 19427 1 346 . 1 1 31 31 THR CA C 13 66.452 0.450 . 1 . . . A 31 THR CA . 19427 1 347 . 1 1 31 31 THR CB C 13 68.867 0.450 . 1 . . . A 31 THR CB . 19427 1 348 . 1 1 31 31 THR CG2 C 13 21.787 0.450 . 1 . . . A 31 THR CG2 . 19427 1 349 . 1 1 31 31 THR N N 15 116.024 0.450 . 1 . . . A 31 THR N . 19427 1 350 . 1 1 32 32 ILE H H 1 7.846 0.040 . 1 . . . A 32 ILE H . 19427 1 351 . 1 1 32 32 ILE HA H 1 3.815 0.040 . 1 . . . A 32 ILE HA . 19427 1 352 . 1 1 32 32 ILE HB H 1 1.850 0.040 . 1 . . . A 32 ILE HB . 19427 1 353 . 1 1 32 32 ILE HG12 H 1 1.165 0.040 . 2 . . . A 32 ILE HG12 . 19427 1 354 . 1 1 32 32 ILE HG13 H 1 1.055 0.040 . 2 . . . A 32 ILE HG13 . 19427 1 355 . 1 1 32 32 ILE HG21 H 1 0.775 0.040 . 1 . . . A 32 ILE HG21 . 19427 1 356 . 1 1 32 32 ILE HG22 H 1 0.775 0.040 . 1 . . . A 32 ILE HG22 . 19427 1 357 . 1 1 32 32 ILE HG23 H 1 0.775 0.040 . 1 . . . A 32 ILE HG23 . 19427 1 358 . 1 1 32 32 ILE HD11 H 1 0.659 0.040 . 1 . . . A 32 ILE HD11 . 19427 1 359 . 1 1 32 32 ILE HD12 H 1 0.659 0.040 . 1 . . . A 32 ILE HD12 . 19427 1 360 . 1 1 32 32 ILE HD13 H 1 0.659 0.040 . 1 . . . A 32 ILE HD13 . 19427 1 361 . 1 1 32 32 ILE C C 13 178.583 0.450 . 1 . . . A 32 ILE C . 19427 1 362 . 1 1 32 32 ILE CA C 13 64.153 0.450 . 1 . . . A 32 ILE CA . 19427 1 363 . 1 1 32 32 ILE CB C 13 36.940 0.450 . 1 . . . A 32 ILE CB . 19427 1 364 . 1 1 32 32 ILE CG1 C 13 27.427 0.450 . 1 . . . A 32 ILE CG1 . 19427 1 365 . 1 1 32 32 ILE CG2 C 13 18.212 0.450 . 1 . . . A 32 ILE CG2 . 19427 1 366 . 1 1 32 32 ILE CD1 C 13 12.104 0.450 . 1 . . . A 32 ILE CD1 . 19427 1 367 . 1 1 32 32 ILE N N 15 121.094 0.450 . 1 . . . A 32 ILE N . 19427 1 368 . 1 1 33 33 GLN H H 1 8.374 0.040 . 1 . . . A 33 GLN H . 19427 1 369 . 1 1 33 33 GLN HA H 1 3.839 0.040 . 1 . . . A 33 GLN HA . 19427 1 370 . 1 1 33 33 GLN HB2 H 1 2.110 0.040 . 2 . . . A 33 GLN HB2 . 19427 1 371 . 1 1 33 33 GLN HB3 H 1 1.896 0.040 . 2 . . . A 33 GLN HB3 . 19427 1 372 . 1 1 33 33 GLN HG2 H 1 2.446 0.040 . 2 . . . A 33 GLN HG2 . 19427 1 373 . 1 1 33 33 GLN HG3 H 1 2.214 0.040 . 2 . . . A 33 GLN HG3 . 19427 1 374 . 1 1 33 33 GLN HE21 H 1 7.338 0.040 . 2 . . . A 33 GLN HE21 . 19427 1 375 . 1 1 33 33 GLN HE22 H 1 6.804 0.040 . 2 . . . A 33 GLN HE22 . 19427 1 376 . 1 1 33 33 GLN C C 13 178.264 0.450 . 1 . . . A 33 GLN C . 19427 1 377 . 1 1 33 33 GLN CA C 13 59.858 0.450 . 1 . . . A 33 GLN CA . 19427 1 378 . 1 1 33 33 GLN CB C 13 29.365 0.450 . 1 . . . A 33 GLN CB . 19427 1 379 . 1 1 33 33 GLN CG C 13 35.217 0.450 . 1 . . . A 33 GLN CG . 19427 1 380 . 1 1 33 33 GLN N N 15 119.832 0.450 . 1 . . . A 33 GLN N . 19427 1 381 . 1 1 33 33 GLN NE2 N 15 111.741 0.450 . 1 . . . A 33 GLN NE2 . 19427 1 382 . 1 1 34 34 SER H H 1 7.816 0.040 . 1 . . . A 34 SER H . 19427 1 383 . 1 1 34 34 SER HA H 1 4.333 0.040 . 1 . . . A 34 SER HA . 19427 1 384 . 1 1 34 34 SER HB2 H 1 4.063 0.040 . 2 . . . A 34 SER HB2 . 19427 1 385 . 1 1 34 34 SER HB3 H 1 4.063 0.040 . 2 . . . A 34 SER HB3 . 19427 1 386 . 1 1 34 34 SER C C 13 176.817 0.450 . 1 . . . A 34 SER C . 19427 1 387 . 1 1 34 34 SER CA C 13 60.915 0.450 . 1 . . . A 34 SER CA . 19427 1 388 . 1 1 34 34 SER CB C 13 63.235 0.450 . 1 . . . A 34 SER CB . 19427 1 389 . 1 1 34 34 SER N N 15 112.726 0.450 . 1 . . . A 34 SER N . 19427 1 390 . 1 1 35 35 GLN H H 1 8.034 0.040 . 1 . . . A 35 GLN H . 19427 1 391 . 1 1 35 35 GLN HA H 1 4.194 0.040 . 1 . . . A 35 GLN HA . 19427 1 392 . 1 1 35 35 GLN HB2 H 1 2.178 0.040 . 2 . . . A 35 GLN HB2 . 19427 1 393 . 1 1 35 35 GLN HB3 H 1 2.178 0.040 . 2 . . . A 35 GLN HB3 . 19427 1 394 . 1 1 35 35 GLN HG2 H 1 2.580 0.040 . 2 . . . A 35 GLN HG2 . 19427 1 395 . 1 1 35 35 GLN HG3 H 1 2.407 0.040 . 2 . . . A 35 GLN HG3 . 19427 1 396 . 1 1 35 35 GLN HE21 H 1 7.435 0.040 . 2 . . . A 35 GLN HE21 . 19427 1 397 . 1 1 35 35 GLN HE22 H 1 6.770 0.040 . 2 . . . A 35 GLN HE22 . 19427 1 398 . 1 1 35 35 GLN C C 13 177.930 0.450 . 1 . . . A 35 GLN C . 19427 1 399 . 1 1 35 35 GLN CA C 13 58.109 0.450 . 1 . . . A 35 GLN CA . 19427 1 400 . 1 1 35 35 GLN CB C 13 29.188 0.450 . 1 . . . A 35 GLN CB . 19427 1 401 . 1 1 35 35 GLN CG C 13 34.063 0.450 . 1 . . . A 35 GLN CG . 19427 1 402 . 1 1 35 35 GLN N N 15 120.724 0.450 . 1 . . . A 35 GLN N . 19427 1 403 . 1 1 35 35 GLN NE2 N 15 110.951 0.450 . 1 . . . A 35 GLN NE2 . 19427 1 404 . 1 1 36 36 ARG H H 1 8.091 0.040 . 1 . . . A 36 ARG H . 19427 1 405 . 1 1 36 36 ARG HA H 1 4.398 0.040 . 1 . . . A 36 ARG HA . 19427 1 406 . 1 1 36 36 ARG HB2 H 1 2.033 0.040 . 2 . . . A 36 ARG HB2 . 19427 1 407 . 1 1 36 36 ARG HB3 H 1 1.741 0.040 . 2 . . . A 36 ARG HB3 . 19427 1 408 . 1 1 36 36 ARG HG2 H 1 1.831 0.040 . 2 . . . A 36 ARG HG2 . 19427 1 409 . 1 1 36 36 ARG HG3 H 1 1.729 0.040 . 2 . . . A 36 ARG HG3 . 19427 1 410 . 1 1 36 36 ARG HD2 H 1 3.237 0.040 . 2 . . . A 36 ARG HD2 . 19427 1 411 . 1 1 36 36 ARG HD3 H 1 3.004 0.040 . 2 . . . A 36 ARG HD3 . 19427 1 412 . 1 1 36 36 ARG C C 13 177.013 0.450 . 1 . . . A 36 ARG C . 19427 1 413 . 1 1 36 36 ARG CA C 13 56.424 0.450 . 1 . . . A 36 ARG CA . 19427 1 414 . 1 1 36 36 ARG CB C 13 31.418 0.450 . 1 . . . A 36 ARG CB . 19427 1 415 . 1 1 36 36 ARG CG C 13 27.549 0.450 . 1 . . . A 36 ARG CG . 19427 1 416 . 1 1 36 36 ARG CD C 13 44.067 0.450 . 1 . . . A 36 ARG CD . 19427 1 417 . 1 1 36 36 ARG N N 15 116.267 0.450 . 1 . . . A 36 ARG N . 19427 1 418 . 1 1 37 37 GLY H H 1 7.972 0.040 . 1 . . . A 37 GLY H . 19427 1 419 . 1 1 37 37 GLY HA2 H 1 4.009 0.040 . 2 . . . A 37 GLY HA2 . 19427 1 420 . 1 1 37 37 GLY HA3 H 1 3.751 0.040 . 2 . . . A 37 GLY HA3 . 19427 1 421 . 1 1 37 37 GLY C C 13 173.661 0.450 . 1 . . . A 37 GLY C . 19427 1 422 . 1 1 37 37 GLY CA C 13 46.270 0.450 . 1 . . . A 37 GLY CA . 19427 1 423 . 1 1 37 37 GLY N N 15 109.299 0.450 . 1 . . . A 37 GLY N . 19427 1 424 . 1 1 38 38 ASP H H 1 7.838 0.040 . 1 . . . A 38 ASP H . 19427 1 425 . 1 1 38 38 ASP HA H 1 4.715 0.040 . 1 . . . A 38 ASP HA . 19427 1 426 . 1 1 38 38 ASP HB2 H 1 2.685 0.040 . 2 . . . A 38 ASP HB2 . 19427 1 427 . 1 1 38 38 ASP HB3 H 1 2.434 0.040 . 2 . . . A 38 ASP HB3 . 19427 1 428 . 1 1 38 38 ASP C C 13 175.405 0.450 . 1 . . . A 38 ASP C . 19427 1 429 . 1 1 38 38 ASP CA C 13 53.171 0.450 . 1 . . . A 38 ASP CA . 19427 1 430 . 1 1 38 38 ASP CB C 13 41.640 0.450 . 1 . . . A 38 ASP CB . 19427 1 431 . 1 1 38 38 ASP N N 15 119.246 0.450 . 1 . . . A 38 ASP N . 19427 1 432 . 1 1 39 39 TYR H H 1 8.202 0.040 . 1 . . . A 39 TYR H . 19427 1 433 . 1 1 39 39 TYR HA H 1 4.527 0.040 . 1 . . . A 39 TYR HA . 19427 1 434 . 1 1 39 39 TYR HB2 H 1 3.149 0.040 . 2 . . . A 39 TYR HB2 . 19427 1 435 . 1 1 39 39 TYR HB3 H 1 2.813 0.040 . 2 . . . A 39 TYR HB3 . 19427 1 436 . 1 1 39 39 TYR HD1 H 1 7.123 0.040 . 3 . . . A 39 TYR HD1 . 19427 1 437 . 1 1 39 39 TYR HD2 H 1 7.038 0.040 . 3 . . . A 39 TYR HD2 . 19427 1 438 . 1 1 39 39 TYR HE1 H 1 6.808 0.040 . 3 . . . A 39 TYR HE1 . 19427 1 439 . 1 1 39 39 TYR HE2 H 1 6.808 0.040 . 3 . . . A 39 TYR HE2 . 19427 1 440 . 1 1 39 39 TYR C C 13 176.937 0.450 . 1 . . . A 39 TYR C . 19427 1 441 . 1 1 39 39 TYR CA C 13 58.128 0.450 . 1 . . . A 39 TYR CA . 19427 1 442 . 1 1 39 39 TYR CB C 13 38.588 0.450 . 1 . . . A 39 TYR CB . 19427 1 443 . 1 1 39 39 TYR CD1 C 13 133.331 0.450 . 3 . . . A 39 TYR CD1 . 19427 1 444 . 1 1 39 39 TYR CD2 C 13 133.331 0.450 . 3 . . . A 39 TYR CD2 . 19427 1 445 . 1 1 39 39 TYR CE1 C 13 118.347 0.450 . 3 . . . A 39 TYR CE1 . 19427 1 446 . 1 1 39 39 TYR CE2 C 13 118.347 0.450 . 3 . . . A 39 TYR CE2 . 19427 1 447 . 1 1 39 39 TYR N N 15 121.210 0.450 . 1 . . . A 39 TYR N . 19427 1 448 . 1 1 40 40 ASN H H 1 8.393 0.040 . 1 . . . A 40 ASN H . 19427 1 449 . 1 1 40 40 ASN HA H 1 4.619 0.040 . 1 . . . A 40 ASN HA . 19427 1 450 . 1 1 40 40 ASN HB2 H 1 2.939 0.040 . 2 . . . A 40 ASN HB2 . 19427 1 451 . 1 1 40 40 ASN HB3 H 1 2.839 0.040 . 2 . . . A 40 ASN HB3 . 19427 1 452 . 1 1 40 40 ASN HD21 H 1 8.077 0.040 . 2 . . . A 40 ASN HD21 . 19427 1 453 . 1 1 40 40 ASN HD22 H 1 7.131 0.040 . 2 . . . A 40 ASN HD22 . 19427 1 454 . 1 1 40 40 ASN C C 13 175.853 0.450 . 1 . . . A 40 ASN C . 19427 1 455 . 1 1 40 40 ASN CA C 13 54.383 0.450 . 1 . . . A 40 ASN CA . 19427 1 456 . 1 1 40 40 ASN CB C 13 39.506 0.450 . 1 . . . A 40 ASN CB . 19427 1 457 . 1 1 40 40 ASN N N 15 120.622 0.450 . 1 . . . A 40 ASN N . 19427 1 458 . 1 1 40 40 ASN ND2 N 15 115.378 0.450 . 1 . . . A 40 ASN ND2 . 19427 1 459 . 1 1 41 41 GLY H H 1 8.103 0.040 . 1 . . . A 41 GLY H . 19427 1 460 . 1 1 41 41 GLY HA2 H 1 3.995 0.040 . 2 . . . A 41 GLY HA2 . 19427 1 461 . 1 1 41 41 GLY HA3 H 1 3.862 0.040 . 2 . . . A 41 GLY HA3 . 19427 1 462 . 1 1 41 41 GLY C C 13 173.926 0.450 . 1 . . . A 41 GLY C . 19427 1 463 . 1 1 41 41 GLY CA C 13 45.930 0.450 . 1 . . . A 41 GLY CA . 19427 1 464 . 1 1 41 41 GLY N N 15 107.971 0.450 . 1 . . . A 41 GLY N . 19427 1 465 . 1 1 42 42 LYS H H 1 8.652 0.040 . 1 . . . A 42 LYS H . 19427 1 466 . 1 1 42 42 LYS HA H 1 4.489 0.040 . 1 . . . A 42 LYS HA . 19427 1 467 . 1 1 42 42 LYS HB2 H 1 2.014 0.040 . 2 . . . A 42 LYS HB2 . 19427 1 468 . 1 1 42 42 LYS HB3 H 1 1.846 0.040 . 2 . . . A 42 LYS HB3 . 19427 1 469 . 1 1 42 42 LYS HG2 H 1 1.494 0.040 . 2 . . . A 42 LYS HG2 . 19427 1 470 . 1 1 42 42 LYS HG3 H 1 1.405 0.040 . 2 . . . A 42 LYS HG3 . 19427 1 471 . 1 1 42 42 LYS HD2 H 1 1.664 0.040 . 2 . . . A 42 LYS HD2 . 19427 1 472 . 1 1 42 42 LYS HD3 H 1 1.664 0.040 . 2 . . . A 42 LYS HD3 . 19427 1 473 . 1 1 42 42 LYS HE2 H 1 2.972 0.040 . 2 . . . A 42 LYS HE2 . 19427 1 474 . 1 1 42 42 LYS HE3 H 1 2.972 0.040 . 2 . . . A 42 LYS HE3 . 19427 1 475 . 1 1 42 42 LYS C C 13 176.201 0.450 . 1 . . . A 42 LYS C . 19427 1 476 . 1 1 42 42 LYS CA C 13 57.709 0.450 . 1 . . . A 42 LYS CA . 19427 1 477 . 1 1 42 42 LYS CB C 13 34.345 0.450 . 1 . . . A 42 LYS CB . 19427 1 478 . 1 1 42 42 LYS CG C 13 25.403 0.450 . 1 . . . A 42 LYS CG . 19427 1 479 . 1 1 42 42 LYS CD C 13 29.152 0.450 . 1 . . . A 42 LYS CD . 19427 1 480 . 1 1 42 42 LYS CE C 13 42.271 0.450 . 1 . . . A 42 LYS CE . 19427 1 481 . 1 1 42 42 LYS N N 15 119.472 0.450 . 1 . . . A 42 LYS N . 19427 1 482 . 1 1 43 43 VAL H H 1 7.840 0.040 . 1 . . . A 43 VAL H . 19427 1 483 . 1 1 43 43 VAL HA H 1 5.330 0.040 . 1 . . . A 43 VAL HA . 19427 1 484 . 1 1 43 43 VAL HB H 1 1.994 0.040 . 1 . . . A 43 VAL HB . 19427 1 485 . 1 1 43 43 VAL HG11 H 1 0.895 0.040 . 2 . . . A 43 VAL HG11 . 19427 1 486 . 1 1 43 43 VAL HG12 H 1 0.895 0.040 . 2 . . . A 43 VAL HG12 . 19427 1 487 . 1 1 43 43 VAL HG13 H 1 0.895 0.040 . 2 . . . A 43 VAL HG13 . 19427 1 488 . 1 1 43 43 VAL HG21 H 1 0.822 0.040 . 2 . . . A 43 VAL HG21 . 19427 1 489 . 1 1 43 43 VAL HG22 H 1 0.822 0.040 . 2 . . . A 43 VAL HG22 . 19427 1 490 . 1 1 43 43 VAL HG23 H 1 0.822 0.040 . 2 . . . A 43 VAL HG23 . 19427 1 491 . 1 1 43 43 VAL C C 13 174.906 0.450 . 1 . . . A 43 VAL C . 19427 1 492 . 1 1 43 43 VAL CA C 13 59.264 0.450 . 1 . . . A 43 VAL CA . 19427 1 493 . 1 1 43 43 VAL CB C 13 35.953 0.450 . 1 . . . A 43 VAL CB . 19427 1 494 . 1 1 43 43 VAL CG1 C 13 22.326 0.450 . 2 . . . A 43 VAL CG1 . 19427 1 495 . 1 1 43 43 VAL CG2 C 13 18.572 0.450 . 2 . . . A 43 VAL CG2 . 19427 1 496 . 1 1 43 43 VAL N N 15 112.852 0.450 . 1 . . . A 43 VAL N . 19427 1 497 . 1 1 44 44 LEU H H 1 8.610 0.040 . 1 . . . A 44 LEU H . 19427 1 498 . 1 1 44 44 LEU HA H 1 4.789 0.040 . 1 . . . A 44 LEU HA . 19427 1 499 . 1 1 44 44 LEU HB2 H 1 1.787 0.040 . 2 . . . A 44 LEU HB2 . 19427 1 500 . 1 1 44 44 LEU HB3 H 1 1.383 0.040 . 2 . . . A 44 LEU HB3 . 19427 1 501 . 1 1 44 44 LEU HG H 1 1.541 0.040 . 1 . . . A 44 LEU HG . 19427 1 502 . 1 1 44 44 LEU HD11 H 1 0.994 0.040 . 2 . . . A 44 LEU HD11 . 19427 1 503 . 1 1 44 44 LEU HD12 H 1 0.994 0.040 . 2 . . . A 44 LEU HD12 . 19427 1 504 . 1 1 44 44 LEU HD13 H 1 0.994 0.040 . 2 . . . A 44 LEU HD13 . 19427 1 505 . 1 1 44 44 LEU HD21 H 1 0.866 0.040 . 2 . . . A 44 LEU HD21 . 19427 1 506 . 1 1 44 44 LEU HD22 H 1 0.866 0.040 . 2 . . . A 44 LEU HD22 . 19427 1 507 . 1 1 44 44 LEU HD23 H 1 0.866 0.040 . 2 . . . A 44 LEU HD23 . 19427 1 508 . 1 1 44 44 LEU C C 13 175.260 0.450 . 1 . . . A 44 LEU C . 19427 1 509 . 1 1 44 44 LEU CA C 13 53.876 0.450 . 1 . . . A 44 LEU CA . 19427 1 510 . 1 1 44 44 LEU CB C 13 47.498 0.450 . 1 . . . A 44 LEU CB . 19427 1 511 . 1 1 44 44 LEU CG C 13 27.177 0.450 . 1 . . . A 44 LEU CG . 19427 1 512 . 1 1 44 44 LEU CD1 C 13 24.265 0.450 . 2 . . . A 44 LEU CD1 . 19427 1 513 . 1 1 44 44 LEU CD2 C 13 26.352 0.450 . 2 . . . A 44 LEU CD2 . 19427 1 514 . 1 1 44 44 LEU N N 15 123.642 0.450 . 1 . . . A 44 LEU N . 19427 1 515 . 1 1 45 45 SER H H 1 9.111 0.040 . 1 . . . A 45 SER H . 19427 1 516 . 1 1 45 45 SER HA H 1 5.052 0.040 . 1 . . . A 45 SER HA . 19427 1 517 . 1 1 45 45 SER HB2 H 1 3.875 0.040 . 2 . . . A 45 SER HB2 . 19427 1 518 . 1 1 45 45 SER HB3 H 1 3.875 0.040 . 2 . . . A 45 SER HB3 . 19427 1 519 . 1 1 45 45 SER C C 13 174.246 0.450 . 1 . . . A 45 SER C . 19427 1 520 . 1 1 45 45 SER CA C 13 58.852 0.450 . 1 . . . A 45 SER CA . 19427 1 521 . 1 1 45 45 SER CB C 13 63.509 0.450 . 1 . . . A 45 SER CB . 19427 1 522 . 1 1 45 45 SER N N 15 124.267 0.450 . 1 . . . A 45 SER N . 19427 1 523 . 1 1 46 46 ILE H H 1 8.542 0.040 . 1 . . . A 46 ILE H . 19427 1 524 . 1 1 46 46 ILE HA H 1 4.780 0.040 . 1 . . . A 46 ILE HA . 19427 1 525 . 1 1 46 46 ILE HB H 1 2.268 0.040 . 1 . . . A 46 ILE HB . 19427 1 526 . 1 1 46 46 ILE HG12 H 1 1.374 0.040 . 2 . . . A 46 ILE HG12 . 19427 1 527 . 1 1 46 46 ILE HG13 H 1 0.957 0.040 . 2 . . . A 46 ILE HG13 . 19427 1 528 . 1 1 46 46 ILE HG21 H 1 0.864 0.040 . 1 . . . A 46 ILE HG21 . 19427 1 529 . 1 1 46 46 ILE HG22 H 1 0.864 0.040 . 1 . . . A 46 ILE HG22 . 19427 1 530 . 1 1 46 46 ILE HG23 H 1 0.864 0.040 . 1 . . . A 46 ILE HG23 . 19427 1 531 . 1 1 46 46 ILE HD11 H 1 0.689 0.040 . 1 . . . A 46 ILE HD11 . 19427 1 532 . 1 1 46 46 ILE HD12 H 1 0.689 0.040 . 1 . . . A 46 ILE HD12 . 19427 1 533 . 1 1 46 46 ILE HD13 H 1 0.689 0.040 . 1 . . . A 46 ILE HD13 . 19427 1 534 . 1 1 46 46 ILE C C 13 174.199 0.450 . 1 . . . A 46 ILE C . 19427 1 535 . 1 1 46 46 ILE CA C 13 59.602 0.450 . 1 . . . A 46 ILE CA . 19427 1 536 . 1 1 46 46 ILE CB C 13 41.595 0.450 . 1 . . . A 46 ILE CB . 19427 1 537 . 1 1 46 46 ILE CG1 C 13 26.185 0.450 . 1 . . . A 46 ILE CG1 . 19427 1 538 . 1 1 46 46 ILE CG2 C 13 17.934 0.450 . 1 . . . A 46 ILE CG2 . 19427 1 539 . 1 1 46 46 ILE CD1 C 13 13.314 0.450 . 1 . . . A 46 ILE CD1 . 19427 1 540 . 1 1 46 46 ILE N N 15 118.924 0.450 . 1 . . . A 46 ILE N . 19427 1 541 . 1 1 47 47 ARG H H 1 9.488 0.040 . 1 . . . A 47 ARG H . 19427 1 542 . 1 1 47 47 ARG HA H 1 4.865 0.040 . 1 . . . A 47 ARG HA . 19427 1 543 . 1 1 47 47 ARG HB2 H 1 2.253 0.040 . 2 . . . A 47 ARG HB2 . 19427 1 544 . 1 1 47 47 ARG HB3 H 1 1.830 0.040 . 2 . . . A 47 ARG HB3 . 19427 1 545 . 1 1 47 47 ARG HG2 H 1 1.746 0.040 . 2 . . . A 47 ARG HG2 . 19427 1 546 . 1 1 47 47 ARG HG3 H 1 1.746 0.040 . 2 . . . A 47 ARG HG3 . 19427 1 547 . 1 1 47 47 ARG HD2 H 1 3.318 0.040 . 2 . . . A 47 ARG HD2 . 19427 1 548 . 1 1 47 47 ARG HD3 H 1 3.271 0.040 . 2 . . . A 47 ARG HD3 . 19427 1 549 . 1 1 47 47 ARG C C 13 178.511 0.450 . 1 . . . A 47 ARG C . 19427 1 550 . 1 1 47 47 ARG CA C 13 54.508 0.450 . 1 . . . A 47 ARG CA . 19427 1 551 . 1 1 47 47 ARG CB C 13 33.318 0.450 . 1 . . . A 47 ARG CB . 19427 1 552 . 1 1 47 47 ARG CG C 13 27.684 0.450 . 1 . . . A 47 ARG CG . 19427 1 553 . 1 1 47 47 ARG CD C 13 43.656 0.450 . 1 . . . A 47 ARG CD . 19427 1 554 . 1 1 47 47 ARG N N 15 119.572 0.450 . 1 . . . A 47 ARG N . 19427 1 555 . 1 1 48 48 GLN H H 1 9.350 0.040 . 1 . . . A 48 GLN H . 19427 1 556 . 1 1 48 48 GLN HA H 1 3.818 0.040 . 1 . . . A 48 GLN HA . 19427 1 557 . 1 1 48 48 GLN HB2 H 1 2.154 0.040 . 2 . . . A 48 GLN HB2 . 19427 1 558 . 1 1 48 48 GLN HB3 H 1 2.154 0.040 . 2 . . . A 48 GLN HB3 . 19427 1 559 . 1 1 48 48 GLN HG2 H 1 2.428 0.040 . 2 . . . A 48 GLN HG2 . 19427 1 560 . 1 1 48 48 GLN HG3 H 1 2.428 0.040 . 2 . . . A 48 GLN HG3 . 19427 1 561 . 1 1 48 48 GLN HE21 H 1 7.666 0.040 . 2 . . . A 48 GLN HE21 . 19427 1 562 . 1 1 48 48 GLN HE22 H 1 6.879 0.040 . 2 . . . A 48 GLN HE22 . 19427 1 563 . 1 1 48 48 GLN C C 13 178.972 0.450 . 1 . . . A 48 GLN C . 19427 1 564 . 1 1 48 48 GLN CA C 13 60.527 0.450 . 1 . . . A 48 GLN CA . 19427 1 565 . 1 1 48 48 GLN CB C 13 28.284 0.450 . 1 . . . A 48 GLN CB . 19427 1 566 . 1 1 48 48 GLN CG C 13 34.361 0.450 . 1 . . . A 48 GLN CG . 19427 1 567 . 1 1 48 48 GLN N N 15 122.809 0.450 . 1 . . . A 48 GLN N . 19427 1 568 . 1 1 48 48 GLN NE2 N 15 111.301 0.450 . 1 . . . A 48 GLN NE2 . 19427 1 569 . 1 1 49 49 ASP H H 1 8.855 0.040 . 1 . . . A 49 ASP H . 19427 1 570 . 1 1 49 49 ASP HA H 1 4.360 0.040 . 1 . . . A 49 ASP HA . 19427 1 571 . 1 1 49 49 ASP HB2 H 1 2.711 0.040 . 2 . . . A 49 ASP HB2 . 19427 1 572 . 1 1 49 49 ASP HB3 H 1 2.556 0.040 . 2 . . . A 49 ASP HB3 . 19427 1 573 . 1 1 49 49 ASP C C 13 178.758 0.450 . 1 . . . A 49 ASP C . 19427 1 574 . 1 1 49 49 ASP CA C 13 57.357 0.450 . 1 . . . A 49 ASP CA . 19427 1 575 . 1 1 49 49 ASP CB C 13 40.483 0.450 . 1 . . . A 49 ASP CB . 19427 1 576 . 1 1 49 49 ASP N N 15 115.682 0.450 . 1 . . . A 49 ASP N . 19427 1 577 . 1 1 50 50 ASP H H 1 7.519 0.040 . 1 . . . A 50 ASP H . 19427 1 578 . 1 1 50 50 ASP HA H 1 4.612 0.040 . 1 . . . A 50 ASP HA . 19427 1 579 . 1 1 50 50 ASP HB2 H 1 3.301 0.040 . 2 . . . A 50 ASP HB2 . 19427 1 580 . 1 1 50 50 ASP HB3 H 1 2.688 0.040 . 2 . . . A 50 ASP HB3 . 19427 1 581 . 1 1 50 50 ASP C C 13 177.865 0.450 . 1 . . . A 50 ASP C . 19427 1 582 . 1 1 50 50 ASP CA C 13 58.075 0.450 . 1 . . . A 50 ASP CA . 19427 1 583 . 1 1 50 50 ASP CB C 13 41.639 0.450 . 1 . . . A 50 ASP CB . 19427 1 584 . 1 1 50 50 ASP N N 15 117.926 0.450 . 1 . . . A 50 ASP N . 19427 1 585 . 1 1 51 51 LEU H H 1 7.444 0.040 . 1 . . . A 51 LEU H . 19427 1 586 . 1 1 51 51 LEU HA H 1 3.912 0.040 . 1 . . . A 51 LEU HA . 19427 1 587 . 1 1 51 51 LEU HB2 H 1 1.762 0.040 . 2 . . . A 51 LEU HB2 . 19427 1 588 . 1 1 51 51 LEU HB3 H 1 1.561 0.040 . 2 . . . A 51 LEU HB3 . 19427 1 589 . 1 1 51 51 LEU HG H 1 1.559 0.040 . 1 . . . A 51 LEU HG . 19427 1 590 . 1 1 51 51 LEU HD11 H 1 0.802 0.040 . 2 . . . A 51 LEU HD11 . 19427 1 591 . 1 1 51 51 LEU HD12 H 1 0.802 0.040 . 2 . . . A 51 LEU HD12 . 19427 1 592 . 1 1 51 51 LEU HD13 H 1 0.802 0.040 . 2 . . . A 51 LEU HD13 . 19427 1 593 . 1 1 51 51 LEU HD21 H 1 0.689 0.040 . 2 . . . A 51 LEU HD21 . 19427 1 594 . 1 1 51 51 LEU HD22 H 1 0.689 0.040 . 2 . . . A 51 LEU HD22 . 19427 1 595 . 1 1 51 51 LEU HD23 H 1 0.689 0.040 . 2 . . . A 51 LEU HD23 . 19427 1 596 . 1 1 51 51 LEU C C 13 178.254 0.450 . 1 . . . A 51 LEU C . 19427 1 597 . 1 1 51 51 LEU CA C 13 58.129 0.450 . 1 . . . A 51 LEU CA . 19427 1 598 . 1 1 51 51 LEU CB C 13 41.397 0.450 . 1 . . . A 51 LEU CB . 19427 1 599 . 1 1 51 51 LEU CG C 13 27.133 0.450 . 1 . . . A 51 LEU CG . 19427 1 600 . 1 1 51 51 LEU CD1 C 13 24.719 0.450 . 2 . . . A 51 LEU CD1 . 19427 1 601 . 1 1 51 51 LEU CD2 C 13 23.339 0.450 . 2 . . . A 51 LEU CD2 . 19427 1 602 . 1 1 51 51 LEU N N 15 118.893 0.450 . 1 . . . A 51 LEU N . 19427 1 603 . 1 1 52 52 ARG H H 1 7.757 0.040 . 1 . . . A 52 ARG H . 19427 1 604 . 1 1 52 52 ARG HA H 1 3.910 0.040 . 1 . . . A 52 ARG HA . 19427 1 605 . 1 1 52 52 ARG HB2 H 1 2.005 0.040 . 2 . . . A 52 ARG HB2 . 19427 1 606 . 1 1 52 52 ARG HB3 H 1 2.005 0.040 . 2 . . . A 52 ARG HB3 . 19427 1 607 . 1 1 52 52 ARG HG2 H 1 1.825 0.040 . 2 . . . A 52 ARG HG2 . 19427 1 608 . 1 1 52 52 ARG HG3 H 1 1.566 0.040 . 2 . . . A 52 ARG HG3 . 19427 1 609 . 1 1 52 52 ARG HD2 H 1 3.258 0.040 . 2 . . . A 52 ARG HD2 . 19427 1 610 . 1 1 52 52 ARG HD3 H 1 3.258 0.040 . 2 . . . A 52 ARG HD3 . 19427 1 611 . 1 1 52 52 ARG C C 13 178.886 0.450 . 1 . . . A 52 ARG C . 19427 1 612 . 1 1 52 52 ARG CA C 13 60.285 0.450 . 1 . . . A 52 ARG CA . 19427 1 613 . 1 1 52 52 ARG CB C 13 29.818 0.450 . 1 . . . A 52 ARG CB . 19427 1 614 . 1 1 52 52 ARG CG C 13 28.321 0.450 . 1 . . . A 52 ARG CG . 19427 1 615 . 1 1 52 52 ARG CD C 13 43.578 0.450 . 1 . . . A 52 ARG CD . 19427 1 616 . 1 1 52 52 ARG N N 15 117.366 0.450 . 1 . . . A 52 ARG N . 19427 1 617 . 1 1 53 53 THR H H 1 7.973 0.040 . 1 . . . A 53 THR H . 19427 1 618 . 1 1 53 53 THR HA H 1 3.924 0.040 . 1 . . . A 53 THR HA . 19427 1 619 . 1 1 53 53 THR HB H 1 4.309 0.040 . 1 . . . A 53 THR HB . 19427 1 620 . 1 1 53 53 THR HG21 H 1 1.287 0.040 . 1 . . . A 53 THR HG21 . 19427 1 621 . 1 1 53 53 THR HG22 H 1 1.287 0.040 . 1 . . . A 53 THR HG22 . 19427 1 622 . 1 1 53 53 THR HG23 H 1 1.287 0.040 . 1 . . . A 53 THR HG23 . 19427 1 623 . 1 1 53 53 THR C C 13 176.626 0.450 . 1 . . . A 53 THR C . 19427 1 624 . 1 1 53 53 THR CA C 13 67.001 0.450 . 1 . . . A 53 THR CA . 19427 1 625 . 1 1 53 53 THR CB C 13 68.759 0.450 . 1 . . . A 53 THR CB . 19427 1 626 . 1 1 53 53 THR CG2 C 13 22.793 0.450 . 1 . . . A 53 THR CG2 . 19427 1 627 . 1 1 53 53 THR N N 15 118.266 0.450 . 1 . . . A 53 THR N . 19427 1 628 . 1 1 54 54 LEU H H 1 8.355 0.040 . 1 . . . A 54 LEU H . 19427 1 629 . 1 1 54 54 LEU HA H 1 3.809 0.040 . 1 . . . A 54 LEU HA . 19427 1 630 . 1 1 54 54 LEU HB2 H 1 1.830 0.040 . 2 . . . A 54 LEU HB2 . 19427 1 631 . 1 1 54 54 LEU HB3 H 1 1.183 0.040 . 2 . . . A 54 LEU HB3 . 19427 1 632 . 1 1 54 54 LEU HG H 1 1.168 0.040 . 1 . . . A 54 LEU HG . 19427 1 633 . 1 1 54 54 LEU HD11 H 1 0.671 0.040 . 2 . . . A 54 LEU HD11 . 19427 1 634 . 1 1 54 54 LEU HD12 H 1 0.671 0.040 . 2 . . . A 54 LEU HD12 . 19427 1 635 . 1 1 54 54 LEU HD13 H 1 0.671 0.040 . 2 . . . A 54 LEU HD13 . 19427 1 636 . 1 1 54 54 LEU HD21 H 1 0.591 0.040 . 2 . . . A 54 LEU HD21 . 19427 1 637 . 1 1 54 54 LEU HD22 H 1 0.591 0.040 . 2 . . . A 54 LEU HD22 . 19427 1 638 . 1 1 54 54 LEU HD23 H 1 0.591 0.040 . 2 . . . A 54 LEU HD23 . 19427 1 639 . 1 1 54 54 LEU C C 13 177.755 0.450 . 1 . . . A 54 LEU C . 19427 1 640 . 1 1 54 54 LEU CA C 13 57.823 0.450 . 1 . . . A 54 LEU CA . 19427 1 641 . 1 1 54 54 LEU CB C 13 43.089 0.450 . 1 . . . A 54 LEU CB . 19427 1 642 . 1 1 54 54 LEU CG C 13 27.480 0.450 . 1 . . . A 54 LEU CG . 19427 1 643 . 1 1 54 54 LEU CD1 C 13 24.294 0.450 . 2 . . . A 54 LEU CD1 . 19427 1 644 . 1 1 54 54 LEU CD2 C 13 24.918 0.450 . 2 . . . A 54 LEU CD2 . 19427 1 645 . 1 1 54 54 LEU N N 15 122.030 0.450 . 1 . . . A 54 LEU N . 19427 1 646 . 1 1 55 55 ALA H H 1 8.195 0.040 . 1 . . . A 55 ALA H . 19427 1 647 . 1 1 55 55 ALA HA H 1 3.892 0.040 . 1 . . . A 55 ALA HA . 19427 1 648 . 1 1 55 55 ALA HB1 H 1 1.559 0.040 . 1 . . . A 55 ALA HB1 . 19427 1 649 . 1 1 55 55 ALA HB2 H 1 1.559 0.040 . 1 . . . A 55 ALA HB2 . 19427 1 650 . 1 1 55 55 ALA HB3 H 1 1.559 0.040 . 1 . . . A 55 ALA HB3 . 19427 1 651 . 1 1 55 55 ALA C C 13 179.192 0.450 . 1 . . . A 55 ALA C . 19427 1 652 . 1 1 55 55 ALA CA C 13 56.505 0.450 . 1 . . . A 55 ALA CA . 19427 1 653 . 1 1 55 55 ALA CB C 13 17.164 0.450 . 1 . . . A 55 ALA CB . 19427 1 654 . 1 1 55 55 ALA N N 15 122.634 0.450 . 1 . . . A 55 ALA N . 19427 1 655 . 1 1 56 56 VAL H H 1 7.402 0.040 . 1 . . . A 56 VAL H . 19427 1 656 . 1 1 56 56 VAL HA H 1 3.861 0.040 . 1 . . . A 56 VAL HA . 19427 1 657 . 1 1 56 56 VAL HB H 1 2.399 0.040 . 1 . . . A 56 VAL HB . 19427 1 658 . 1 1 56 56 VAL HG11 H 1 1.171 0.040 . 2 . . . A 56 VAL HG11 . 19427 1 659 . 1 1 56 56 VAL HG12 H 1 1.171 0.040 . 2 . . . A 56 VAL HG12 . 19427 1 660 . 1 1 56 56 VAL HG13 H 1 1.171 0.040 . 2 . . . A 56 VAL HG13 . 19427 1 661 . 1 1 56 56 VAL HG21 H 1 0.997 0.040 . 2 . . . A 56 VAL HG21 . 19427 1 662 . 1 1 56 56 VAL HG22 H 1 0.997 0.040 . 2 . . . A 56 VAL HG22 . 19427 1 663 . 1 1 56 56 VAL HG23 H 1 0.997 0.040 . 2 . . . A 56 VAL HG23 . 19427 1 664 . 1 1 56 56 VAL C C 13 180.389 0.450 . 1 . . . A 56 VAL C . 19427 1 665 . 1 1 56 56 VAL CA C 13 66.587 0.450 . 1 . . . A 56 VAL CA . 19427 1 666 . 1 1 56 56 VAL CB C 13 31.693 0.450 . 1 . . . A 56 VAL CB . 19427 1 667 . 1 1 56 56 VAL CG1 C 13 22.875 0.450 . 2 . . . A 56 VAL CG1 . 19427 1 668 . 1 1 56 56 VAL CG2 C 13 21.628 0.450 . 2 . . . A 56 VAL CG2 . 19427 1 669 . 1 1 56 56 VAL N N 15 118.079 0.450 . 1 . . . A 56 VAL N . 19427 1 670 . 1 1 57 57 ILE H H 1 7.893 0.040 . 1 . . . A 57 ILE H . 19427 1 671 . 1 1 57 57 ILE HA H 1 3.604 0.040 . 1 . . . A 57 ILE HA . 19427 1 672 . 1 1 57 57 ILE HB H 1 2.005 0.040 . 1 . . . A 57 ILE HB . 19427 1 673 . 1 1 57 57 ILE HG12 H 1 1.775 0.040 . 2 . . . A 57 ILE HG12 . 19427 1 674 . 1 1 57 57 ILE HG13 H 1 1.075 0.040 . 2 . . . A 57 ILE HG13 . 19427 1 675 . 1 1 57 57 ILE HG21 H 1 0.654 0.040 . 1 . . . A 57 ILE HG21 . 19427 1 676 . 1 1 57 57 ILE HG22 H 1 0.654 0.040 . 1 . . . A 57 ILE HG22 . 19427 1 677 . 1 1 57 57 ILE HG23 H 1 0.654 0.040 . 1 . . . A 57 ILE HG23 . 19427 1 678 . 1 1 57 57 ILE HD11 H 1 0.797 0.040 . 1 . . . A 57 ILE HD11 . 19427 1 679 . 1 1 57 57 ILE HD12 H 1 0.797 0.040 . 1 . . . A 57 ILE HD12 . 19427 1 680 . 1 1 57 57 ILE HD13 H 1 0.797 0.040 . 1 . . . A 57 ILE HD13 . 19427 1 681 . 1 1 57 57 ILE C C 13 177.942 0.450 . 1 . . . A 57 ILE C . 19427 1 682 . 1 1 57 57 ILE CA C 13 65.843 0.450 . 1 . . . A 57 ILE CA . 19427 1 683 . 1 1 57 57 ILE CB C 13 38.386 0.450 . 1 . . . A 57 ILE CB . 19427 1 684 . 1 1 57 57 ILE CG1 C 13 29.612 0.450 . 1 . . . A 57 ILE CG1 . 19427 1 685 . 1 1 57 57 ILE CG2 C 13 17.242 0.450 . 1 . . . A 57 ILE CG2 . 19427 1 686 . 1 1 57 57 ILE CD1 C 13 14.220 0.450 . 1 . . . A 57 ILE CD1 . 19427 1 687 . 1 1 57 57 ILE N N 15 122.536 0.450 . 1 . . . A 57 ILE N . 19427 1 688 . 1 1 58 58 TYR H H 1 8.319 0.040 . 1 . . . A 58 TYR H . 19427 1 689 . 1 1 58 58 TYR HA H 1 4.131 0.040 . 1 . . . A 58 TYR HA . 19427 1 690 . 1 1 58 58 TYR HB2 H 1 3.139 0.040 . 2 . . . A 58 TYR HB2 . 19427 1 691 . 1 1 58 58 TYR HB3 H 1 2.709 0.040 . 2 . . . A 58 TYR HB3 . 19427 1 692 . 1 1 58 58 TYR HD1 H 1 7.352 0.040 . 3 . . . A 58 TYR HD1 . 19427 1 693 . 1 1 58 58 TYR HD2 H 1 7.278 0.040 . 3 . . . A 58 TYR HD2 . 19427 1 694 . 1 1 58 58 TYR HE1 H 1 6.944 0.040 . 3 . . . A 58 TYR HE1 . 19427 1 695 . 1 1 58 58 TYR HE2 H 1 6.886 0.040 . 3 . . . A 58 TYR HE2 . 19427 1 696 . 1 1 58 58 TYR C C 13 174.728 0.450 . 1 . . . A 58 TYR C . 19427 1 697 . 1 1 58 58 TYR CA C 13 60.764 0.450 . 1 . . . A 58 TYR CA . 19427 1 698 . 1 1 58 58 TYR CB C 13 39.027 0.450 . 1 . . . A 58 TYR CB . 19427 1 699 . 1 1 58 58 TYR CD1 C 13 133.527 0.450 . 3 . . . A 58 TYR CD1 . 19427 1 700 . 1 1 58 58 TYR CD2 C 13 133.527 0.450 . 3 . . . A 58 TYR CD2 . 19427 1 701 . 1 1 58 58 TYR CE1 C 13 117.326 0.450 . 3 . . . A 58 TYR CE1 . 19427 1 702 . 1 1 58 58 TYR CE2 C 13 117.326 0.450 . 3 . . . A 58 TYR CE2 . 19427 1 703 . 1 1 58 58 TYR N N 15 117.060 0.450 . 1 . . . A 58 TYR N . 19427 1 704 . 1 1 59 59 ASP H H 1 8.177 0.040 . 1 . . . A 59 ASP H . 19427 1 705 . 1 1 59 59 ASP HA H 1 4.350 0.040 . 1 . . . A 59 ASP HA . 19427 1 706 . 1 1 59 59 ASP HB2 H 1 3.265 0.040 . 2 . . . A 59 ASP HB2 . 19427 1 707 . 1 1 59 59 ASP HB3 H 1 2.384 0.040 . 2 . . . A 59 ASP HB3 . 19427 1 708 . 1 1 59 59 ASP C C 13 174.853 0.450 . 1 . . . A 59 ASP C . 19427 1 709 . 1 1 59 59 ASP CA C 13 55.113 0.450 . 1 . . . A 59 ASP CA . 19427 1 710 . 1 1 59 59 ASP CB C 13 39.812 0.450 . 1 . . . A 59 ASP CB . 19427 1 711 . 1 1 59 59 ASP N N 15 122.545 0.450 . 1 . . . A 59 ASP N . 19427 1 712 . 1 1 60 60 GLN H H 1 8.424 0.040 . 1 . . . A 60 GLN H . 19427 1 713 . 1 1 60 60 GLN HA H 1 4.730 0.040 . 1 . . . A 60 GLN HA . 19427 1 714 . 1 1 60 60 GLN HB2 H 1 2.018 0.040 . 2 . . . A 60 GLN HB2 . 19427 1 715 . 1 1 60 60 GLN HB3 H 1 1.541 0.040 . 2 . . . A 60 GLN HB3 . 19427 1 716 . 1 1 60 60 GLN HG2 H 1 2.381 0.040 . 2 . . . A 60 GLN HG2 . 19427 1 717 . 1 1 60 60 GLN HG3 H 1 2.299 0.040 . 2 . . . A 60 GLN HG3 . 19427 1 718 . 1 1 60 60 GLN HE21 H 1 7.084 0.040 . 2 . . . A 60 GLN HE21 . 19427 1 719 . 1 1 60 60 GLN HE22 H 1 6.305 0.040 . 2 . . . A 60 GLN HE22 . 19427 1 720 . 1 1 60 60 GLN C C 13 174.853 0.450 . 1 . . . A 60 GLN C . 19427 1 721 . 1 1 60 60 GLN CA C 13 53.513 0.450 . 1 . . . A 60 GLN CA . 19427 1 722 . 1 1 60 60 GLN CB C 13 34.384 0.450 . 1 . . . A 60 GLN CB . 19427 1 723 . 1 1 60 60 GLN CG C 13 33.793 0.450 . 1 . . . A 60 GLN CG . 19427 1 724 . 1 1 60 60 GLN N N 15 116.007 0.450 . 1 . . . A 60 GLN N . 19427 1 725 . 1 1 60 60 GLN NE2 N 15 107.004 0.450 . 1 . . . A 60 GLN NE2 . 19427 1 726 . 1 1 61 61 SER H H 1 8.424 0.040 . 1 . . . A 61 SER H . 19427 1 727 . 1 1 61 61 SER HA H 1 4.783 0.040 . 1 . . . A 61 SER HA . 19427 1 728 . 1 1 61 61 SER HB2 H 1 4.278 0.040 . 2 . . . A 61 SER HB2 . 19427 1 729 . 1 1 61 61 SER HB3 H 1 3.964 0.040 . 2 . . . A 61 SER HB3 . 19427 1 730 . 1 1 61 61 SER CA C 13 56.443 0.450 . 1 . . . A 61 SER CA . 19427 1 731 . 1 1 61 61 SER CB C 13 62.811 0.450 . 1 . . . A 61 SER CB . 19427 1 732 . 1 1 61 61 SER N N 15 116.009 0.450 . 1 . . . A 61 SER N . 19427 1 733 . 1 1 62 62 PRO HA H 1 4.036 0.040 . 1 . . . A 62 PRO HA . 19427 1 734 . 1 1 62 62 PRO HB2 H 1 2.047 0.040 . 2 . . . A 62 PRO HB2 . 19427 1 735 . 1 1 62 62 PRO HB3 H 1 2.047 0.040 . 2 . . . A 62 PRO HB3 . 19427 1 736 . 1 1 62 62 PRO HG2 H 1 2.304 0.040 . 2 . . . A 62 PRO HG2 . 19427 1 737 . 1 1 62 62 PRO HG3 H 1 1.902 0.040 . 2 . . . A 62 PRO HG3 . 19427 1 738 . 1 1 62 62 PRO HD2 H 1 3.939 0.040 . 2 . . . A 62 PRO HD2 . 19427 1 739 . 1 1 62 62 PRO HD3 H 1 3.939 0.040 . 2 . . . A 62 PRO HD3 . 19427 1 740 . 1 1 62 62 PRO C C 13 179.161 0.450 . 1 . . . A 62 PRO C . 19427 1 741 . 1 1 62 62 PRO CA C 13 66.496 0.450 . 1 . . . A 62 PRO CA . 19427 1 742 . 1 1 62 62 PRO CB C 13 31.780 0.450 . 1 . . . A 62 PRO CB . 19427 1 743 . 1 1 62 62 PRO CG C 13 28.501 0.450 . 1 . . . A 62 PRO CG . 19427 1 744 . 1 1 62 62 PRO CD C 13 50.151 0.450 . 1 . . . A 62 PRO CD . 19427 1 745 . 1 1 63 63 SER H H 1 8.596 0.040 . 1 . . . A 63 SER H . 19427 1 746 . 1 1 63 63 SER HA H 1 4.838 0.040 . 1 . . . A 63 SER HA . 19427 1 747 . 1 1 63 63 SER HB2 H 1 4.047 0.040 . 2 . . . A 63 SER HB2 . 19427 1 748 . 1 1 63 63 SER HB3 H 1 3.867 0.040 . 2 . . . A 63 SER HB3 . 19427 1 749 . 1 1 63 63 SER C C 13 176.141 0.450 . 1 . . . A 63 SER C . 19427 1 750 . 1 1 63 63 SER CB C 13 62.293 0.450 . 1 . . . A 63 SER CB . 19427 1 751 . 1 1 63 63 SER N N 15 114.103 0.450 . 1 . . . A 63 SER N . 19427 1 752 . 1 1 64 64 VAL H H 1 7.381 0.040 . 1 . . . A 64 VAL H . 19427 1 753 . 1 1 64 64 VAL HA H 1 3.561 0.040 . 1 . . . A 64 VAL HA . 19427 1 754 . 1 1 64 64 VAL HB H 1 2.059 0.040 . 1 . . . A 64 VAL HB . 19427 1 755 . 1 1 64 64 VAL HG11 H 1 0.978 0.040 . 2 . . . A 64 VAL HG11 . 19427 1 756 . 1 1 64 64 VAL HG12 H 1 0.978 0.040 . 2 . . . A 64 VAL HG12 . 19427 1 757 . 1 1 64 64 VAL HG13 H 1 0.978 0.040 . 2 . . . A 64 VAL HG13 . 19427 1 758 . 1 1 64 64 VAL HG21 H 1 0.866 0.040 . 2 . . . A 64 VAL HG21 . 19427 1 759 . 1 1 64 64 VAL HG22 H 1 0.866 0.040 . 2 . . . A 64 VAL HG22 . 19427 1 760 . 1 1 64 64 VAL HG23 H 1 0.866 0.040 . 2 . . . A 64 VAL HG23 . 19427 1 761 . 1 1 64 64 VAL C C 13 178.754 0.450 . 1 . . . A 64 VAL C . 19427 1 762 . 1 1 64 64 VAL CA C 13 66.432 0.450 . 1 . . . A 64 VAL CA . 19427 1 763 . 1 1 64 64 VAL CB C 13 32.017 0.450 . 1 . . . A 64 VAL CB . 19427 1 764 . 1 1 64 64 VAL CG1 C 13 23.572 0.450 . 2 . . . A 64 VAL CG1 . 19427 1 765 . 1 1 64 64 VAL CG2 C 13 20.828 0.450 . 2 . . . A 64 VAL CG2 . 19427 1 766 . 1 1 64 64 VAL N N 15 125.461 0.450 . 1 . . . A 64 VAL N . 19427 1 767 . 1 1 65 65 LEU H H 1 8.437 0.040 . 1 . . . A 65 LEU H . 19427 1 768 . 1 1 65 65 LEU HA H 1 3.899 0.040 . 1 . . . A 65 LEU HA . 19427 1 769 . 1 1 65 65 LEU HB2 H 1 1.660 0.040 . 2 . . . A 65 LEU HB2 . 19427 1 770 . 1 1 65 65 LEU HB3 H 1 1.403 0.040 . 2 . . . A 65 LEU HB3 . 19427 1 771 . 1 1 65 65 LEU HG H 1 1.278 0.040 . 1 . . . A 65 LEU HG . 19427 1 772 . 1 1 65 65 LEU HD11 H 1 0.619 0.040 . 2 . . . A 65 LEU HD11 . 19427 1 773 . 1 1 65 65 LEU HD12 H 1 0.619 0.040 . 2 . . . A 65 LEU HD12 . 19427 1 774 . 1 1 65 65 LEU HD13 H 1 0.619 0.040 . 2 . . . A 65 LEU HD13 . 19427 1 775 . 1 1 65 65 LEU HD21 H 1 0.405 0.040 . 2 . . . A 65 LEU HD21 . 19427 1 776 . 1 1 65 65 LEU HD22 H 1 0.405 0.040 . 2 . . . A 65 LEU HD22 . 19427 1 777 . 1 1 65 65 LEU HD23 H 1 0.405 0.040 . 2 . . . A 65 LEU HD23 . 19427 1 778 . 1 1 65 65 LEU C C 13 178.836 0.450 . 1 . . . A 65 LEU C . 19427 1 779 . 1 1 65 65 LEU CA C 13 57.312 0.450 . 1 . . . A 65 LEU CA . 19427 1 780 . 1 1 65 65 LEU CB C 13 41.255 0.450 . 1 . . . A 65 LEU CB . 19427 1 781 . 1 1 65 65 LEU CG C 13 27.123 0.450 . 1 . . . A 65 LEU CG . 19427 1 782 . 1 1 65 65 LEU CD1 C 13 25.582 0.450 . 2 . . . A 65 LEU CD1 . 19427 1 783 . 1 1 65 65 LEU CD2 C 13 23.316 0.450 . 2 . . . A 65 LEU CD2 . 19427 1 784 . 1 1 65 65 LEU N N 15 121.843 0.450 . 1 . . . A 65 LEU N . 19427 1 785 . 1 1 66 66 THR H H 1 8.079 0.040 . 1 . . . A 66 THR H . 19427 1 786 . 1 1 66 66 THR HA H 1 3.321 0.040 . 1 . . . A 66 THR HA . 19427 1 787 . 1 1 66 66 THR HB H 1 4.144 0.040 . 1 . . . A 66 THR HB . 19427 1 788 . 1 1 66 66 THR HG21 H 1 0.908 0.040 . 1 . . . A 66 THR HG21 . 19427 1 789 . 1 1 66 66 THR HG22 H 1 0.908 0.040 . 1 . . . A 66 THR HG22 . 19427 1 790 . 1 1 66 66 THR HG23 H 1 0.908 0.040 . 1 . . . A 66 THR HG23 . 19427 1 791 . 1 1 66 66 THR C C 13 175.591 0.450 . 1 . . . A 66 THR C . 19427 1 792 . 1 1 66 66 THR CA C 13 69.056 0.450 . 1 . . . A 66 THR CA . 19427 1 793 . 1 1 66 66 THR CB C 13 67.992 0.450 . 1 . . . A 66 THR CB . 19427 1 794 . 1 1 66 66 THR CG2 C 13 20.768 0.450 . 1 . . . A 66 THR CG2 . 19427 1 795 . 1 1 66 66 THR N N 15 115.794 0.450 . 1 . . . A 66 THR N . 19427 1 796 . 1 1 67 67 GLU H H 1 7.594 0.040 . 1 . . . A 67 GLU H . 19427 1 797 . 1 1 67 67 GLU HA H 1 3.841 0.040 . 1 . . . A 67 GLU HA . 19427 1 798 . 1 1 67 67 GLU HB2 H 1 2.014 0.040 . 2 . . . A 67 GLU HB2 . 19427 1 799 . 1 1 67 67 GLU HB3 H 1 2.014 0.040 . 2 . . . A 67 GLU HB3 . 19427 1 800 . 1 1 67 67 GLU HG2 H 1 2.339 0.040 . 2 . . . A 67 GLU HG2 . 19427 1 801 . 1 1 67 67 GLU HG3 H 1 2.339 0.040 . 2 . . . A 67 GLU HG3 . 19427 1 802 . 1 1 67 67 GLU C C 13 179.342 0.450 . 1 . . . A 67 GLU C . 19427 1 803 . 1 1 67 67 GLU CA C 13 59.225 0.450 . 1 . . . A 67 GLU CA . 19427 1 804 . 1 1 67 67 GLU CB C 13 28.921 0.450 . 1 . . . A 67 GLU CB . 19427 1 805 . 1 1 67 67 GLU CG C 13 35.643 0.450 . 1 . . . A 67 GLU CG . 19427 1 806 . 1 1 67 67 GLU N N 15 118.543 0.450 . 1 . . . A 67 GLU N . 19427 1 807 . 1 1 68 68 GLN H H 1 7.847 0.040 . 1 . . . A 68 GLN H . 19427 1 808 . 1 1 68 68 GLN HA H 1 3.700 0.040 . 1 . . . A 68 GLN HA . 19427 1 809 . 1 1 68 68 GLN HB2 H 1 1.740 0.040 . 2 . . . A 68 GLN HB2 . 19427 1 810 . 1 1 68 68 GLN HB3 H 1 1.571 0.040 . 2 . . . A 68 GLN HB3 . 19427 1 811 . 1 1 68 68 GLN HG2 H 1 1.482 0.040 . 2 . . . A 68 GLN HG2 . 19427 1 812 . 1 1 68 68 GLN HG3 H 1 1.272 0.040 . 2 . . . A 68 GLN HG3 . 19427 1 813 . 1 1 68 68 GLN HE21 H 1 6.674 0.040 . 2 . . . A 68 GLN HE21 . 19427 1 814 . 1 1 68 68 GLN HE22 H 1 5.997 0.040 . 2 . . . A 68 GLN HE22 . 19427 1 815 . 1 1 68 68 GLN C C 13 177.403 0.450 . 1 . . . A 68 GLN C . 19427 1 816 . 1 1 68 68 GLN CA C 13 58.394 0.450 . 1 . . . A 68 GLN CA . 19427 1 817 . 1 1 68 68 GLN CB C 13 28.374 0.450 . 1 . . . A 68 GLN CB . 19427 1 818 . 1 1 68 68 GLN CG C 13 33.785 0.450 . 1 . . . A 68 GLN CG . 19427 1 819 . 1 1 68 68 GLN N N 15 120.882 0.450 . 1 . . . A 68 GLN N . 19427 1 820 . 1 1 68 68 GLN NE2 N 15 111.940 0.450 . 1 . . . A 68 GLN NE2 . 19427 1 821 . 1 1 69 69 LEU H H 1 7.986 0.040 . 1 . . . A 69 LEU H . 19427 1 822 . 1 1 69 69 LEU HA H 1 3.473 0.040 . 1 . . . A 69 LEU HA . 19427 1 823 . 1 1 69 69 LEU HB2 H 1 1.790 0.040 . 2 . . . A 69 LEU HB2 . 19427 1 824 . 1 1 69 69 LEU HB3 H 1 1.158 0.040 . 2 . . . A 69 LEU HB3 . 19427 1 825 . 1 1 69 69 LEU HG H 1 1.652 0.040 . 1 . . . A 69 LEU HG . 19427 1 826 . 1 1 69 69 LEU HD11 H 1 0.508 0.040 . 2 . . . A 69 LEU HD11 . 19427 1 827 . 1 1 69 69 LEU HD12 H 1 0.508 0.040 . 2 . . . A 69 LEU HD12 . 19427 1 828 . 1 1 69 69 LEU HD13 H 1 0.508 0.040 . 2 . . . A 69 LEU HD13 . 19427 1 829 . 1 1 69 69 LEU HD21 H 1 0.489 0.040 . 2 . . . A 69 LEU HD21 . 19427 1 830 . 1 1 69 69 LEU HD22 H 1 0.489 0.040 . 2 . . . A 69 LEU HD22 . 19427 1 831 . 1 1 69 69 LEU HD23 H 1 0.489 0.040 . 2 . . . A 69 LEU HD23 . 19427 1 832 . 1 1 69 69 LEU C C 13 180.177 0.450 . 1 . . . A 69 LEU C . 19427 1 833 . 1 1 69 69 LEU CA C 13 58.413 0.450 . 1 . . . A 69 LEU CA . 19427 1 834 . 1 1 69 69 LEU CB C 13 40.971 0.450 . 1 . . . A 69 LEU CB . 19427 1 835 . 1 1 69 69 LEU CG C 13 27.563 0.450 . 1 . . . A 69 LEU CG . 19427 1 836 . 1 1 69 69 LEU CD1 C 13 24.635 0.450 . 2 . . . A 69 LEU CD1 . 19427 1 837 . 1 1 69 69 LEU CD2 C 13 24.006 0.450 . 2 . . . A 69 LEU CD2 . 19427 1 838 . 1 1 69 69 LEU N N 15 118.421 0.450 . 1 . . . A 69 LEU N . 19427 1 839 . 1 1 70 70 ILE H H 1 8.262 0.040 . 1 . . . A 70 ILE H . 19427 1 840 . 1 1 70 70 ILE HA H 1 4.160 0.040 . 1 . . . A 70 ILE HA . 19427 1 841 . 1 1 70 70 ILE HB H 1 1.731 0.040 . 1 . . . A 70 ILE HB . 19427 1 842 . 1 1 70 70 ILE HG12 H 1 1.681 0.040 . 2 . . . A 70 ILE HG12 . 19427 1 843 . 1 1 70 70 ILE HG13 H 1 0.698 0.040 . 2 . . . A 70 ILE HG13 . 19427 1 844 . 1 1 70 70 ILE HG21 H 1 0.863 0.040 . 1 . . . A 70 ILE HG21 . 19427 1 845 . 1 1 70 70 ILE HG22 H 1 0.863 0.040 . 1 . . . A 70 ILE HG22 . 19427 1 846 . 1 1 70 70 ILE HG23 H 1 0.863 0.040 . 1 . . . A 70 ILE HG23 . 19427 1 847 . 1 1 70 70 ILE HD11 H 1 0.684 0.040 . 1 . . . A 70 ILE HD11 . 19427 1 848 . 1 1 70 70 ILE HD12 H 1 0.684 0.040 . 1 . . . A 70 ILE HD12 . 19427 1 849 . 1 1 70 70 ILE HD13 H 1 0.684 0.040 . 1 . . . A 70 ILE HD13 . 19427 1 850 . 1 1 70 70 ILE C C 13 180.910 0.450 . 1 . . . A 70 ILE C . 19427 1 851 . 1 1 70 70 ILE CA C 13 65.050 0.450 . 1 . . . A 70 ILE CA . 19427 1 852 . 1 1 70 70 ILE CB C 13 38.345 0.450 . 1 . . . A 70 ILE CB . 19427 1 853 . 1 1 70 70 ILE CG1 C 13 28.776 0.450 . 1 . . . A 70 ILE CG1 . 19427 1 854 . 1 1 70 70 ILE CG2 C 13 16.965 0.450 . 1 . . . A 70 ILE CG2 . 19427 1 855 . 1 1 70 70 ILE CD1 C 13 15.960 0.450 . 1 . . . A 70 ILE CD1 . 19427 1 856 . 1 1 70 70 ILE N N 15 121.346 0.450 . 1 . . . A 70 ILE N . 19427 1 857 . 1 1 71 71 SER H H 1 8.388 0.040 . 1 . . . A 71 SER H . 19427 1 858 . 1 1 71 71 SER HA H 1 4.273 0.040 . 1 . . . A 71 SER HA . 19427 1 859 . 1 1 71 71 SER HB2 H 1 3.962 0.040 . 2 . . . A 71 SER HB2 . 19427 1 860 . 1 1 71 71 SER HB3 H 1 3.962 0.040 . 2 . . . A 71 SER HB3 . 19427 1 861 . 1 1 71 71 SER C C 13 177.045 0.450 . 1 . . . A 71 SER C . 19427 1 862 . 1 1 71 71 SER CA C 13 62.544 0.450 . 1 . . . A 71 SER CA . 19427 1 863 . 1 1 71 71 SER CB C 13 62.839 0.450 . 1 . . . A 71 SER CB . 19427 1 864 . 1 1 71 71 SER N N 15 120.236 0.450 . 1 . . . A 71 SER N . 19427 1 865 . 1 1 72 72 TRP H H 1 8.066 0.040 . 1 . . . A 72 TRP H . 19427 1 866 . 1 1 72 72 TRP HA H 1 4.926 0.040 . 1 . . . A 72 TRP HA . 19427 1 867 . 1 1 72 72 TRP HB2 H 1 3.374 0.040 . 2 . . . A 72 TRP HB2 . 19427 1 868 . 1 1 72 72 TRP HB3 H 1 3.314 0.040 . 2 . . . A 72 TRP HB3 . 19427 1 869 . 1 1 72 72 TRP HD1 H 1 7.146 0.040 . 1 . . . A 72 TRP HD1 . 19427 1 870 . 1 1 72 72 TRP HE1 H 1 10.186 0.040 . 1 . . . A 72 TRP HE1 . 19427 1 871 . 1 1 72 72 TRP HE3 H 1 7.105 0.040 . 1 . . . A 72 TRP HE3 . 19427 1 872 . 1 1 72 72 TRP HZ2 H 1 7.282 0.040 . 1 . . . A 72 TRP HZ2 . 19427 1 873 . 1 1 72 72 TRP HZ3 H 1 6.707 0.040 . 1 . . . A 72 TRP HZ3 . 19427 1 874 . 1 1 72 72 TRP HH2 H 1 6.889 0.040 . 1 . . . A 72 TRP HH2 . 19427 1 875 . 1 1 72 72 TRP C C 13 176.839 0.450 . 1 . . . A 72 TRP C . 19427 1 876 . 1 1 72 72 TRP CA C 13 55.764 0.450 . 1 . . . A 72 TRP CA . 19427 1 877 . 1 1 72 72 TRP CB C 13 31.264 0.450 . 1 . . . A 72 TRP CB . 19427 1 878 . 1 1 72 72 TRP CD1 C 13 124.545 0.450 . 1 . . . A 72 TRP CD1 . 19427 1 879 . 1 1 72 72 TRP CE3 C 13 119.246 0.450 . 1 . . . A 72 TRP CE3 . 19427 1 880 . 1 1 72 72 TRP CZ2 C 13 114.732 0.450 . 1 . . . A 72 TRP CZ2 . 19427 1 881 . 1 1 72 72 TRP CZ3 C 13 121.055 0.450 . 1 . . . A 72 TRP CZ3 . 19427 1 882 . 1 1 72 72 TRP CH2 C 13 124.143 0.450 . 1 . . . A 72 TRP CH2 . 19427 1 883 . 1 1 72 72 TRP N N 15 119.364 0.450 . 1 . . . A 72 TRP N . 19427 1 884 . 1 1 72 72 TRP NE1 N 15 127.724 0.450 . 1 . . . A 72 TRP NE1 . 19427 1 885 . 1 1 73 73 GLY H H 1 8.242 0.040 . 1 . . . A 73 GLY H . 19427 1 886 . 1 1 73 73 GLY HA2 H 1 4.255 0.040 . 2 . . . A 73 GLY HA2 . 19427 1 887 . 1 1 73 73 GLY HA3 H 1 4.084 0.040 . 2 . . . A 73 GLY HA3 . 19427 1 888 . 1 1 73 73 GLY C C 13 174.697 0.450 . 1 . . . A 73 GLY C . 19427 1 889 . 1 1 73 73 GLY CA C 13 45.403 0.450 . 1 . . . A 73 GLY CA . 19427 1 890 . 1 1 73 73 GLY N N 15 106.514 0.450 . 1 . . . A 73 GLY N . 19427 1 891 . 1 1 74 74 VAL H H 1 7.834 0.040 . 1 . . . A 74 VAL H . 19427 1 892 . 1 1 74 74 VAL HA H 1 4.197 0.040 . 1 . . . A 74 VAL HA . 19427 1 893 . 1 1 74 74 VAL HB H 1 2.328 0.040 . 1 . . . A 74 VAL HB . 19427 1 894 . 1 1 74 74 VAL HG11 H 1 1.123 0.040 . 2 . . . A 74 VAL HG11 . 19427 1 895 . 1 1 74 74 VAL HG12 H 1 1.123 0.040 . 2 . . . A 74 VAL HG12 . 19427 1 896 . 1 1 74 74 VAL HG13 H 1 1.123 0.040 . 2 . . . A 74 VAL HG13 . 19427 1 897 . 1 1 74 74 VAL HG21 H 1 1.061 0.040 . 2 . . . A 74 VAL HG21 . 19427 1 898 . 1 1 74 74 VAL HG22 H 1 1.061 0.040 . 2 . . . A 74 VAL HG22 . 19427 1 899 . 1 1 74 74 VAL HG23 H 1 1.061 0.040 . 2 . . . A 74 VAL HG23 . 19427 1 900 . 1 1 74 74 VAL C C 13 174.015 0.450 . 1 . . . A 74 VAL C . 19427 1 901 . 1 1 74 74 VAL CA C 13 63.113 0.450 . 1 . . . A 74 VAL CA . 19427 1 902 . 1 1 74 74 VAL CB C 13 32.849 0.450 . 1 . . . A 74 VAL CB . 19427 1 903 . 1 1 74 74 VAL CG1 C 13 22.465 0.450 . 2 . . . A 74 VAL CG1 . 19427 1 904 . 1 1 74 74 VAL CG2 C 13 22.709 0.450 . 2 . . . A 74 VAL CG2 . 19427 1 905 . 1 1 74 74 VAL N N 15 114.793 0.450 . 1 . . . A 74 VAL N . 19427 1 906 . 1 1 75 75 LEU H H 1 6.898 0.040 . 1 . . . A 75 LEU H . 19427 1 907 . 1 1 75 75 LEU HA H 1 4.911 0.040 . 1 . . . A 75 LEU HA . 19427 1 908 . 1 1 75 75 LEU HB2 H 1 1.490 0.040 . 2 . . . A 75 LEU HB2 . 19427 1 909 . 1 1 75 75 LEU HB3 H 1 1.067 0.040 . 2 . . . A 75 LEU HB3 . 19427 1 910 . 1 1 75 75 LEU HG H 1 1.516 0.040 . 1 . . . A 75 LEU HG . 19427 1 911 . 1 1 75 75 LEU HD11 H 1 0.877 0.040 . 2 . . . A 75 LEU HD11 . 19427 1 912 . 1 1 75 75 LEU HD12 H 1 0.877 0.040 . 2 . . . A 75 LEU HD12 . 19427 1 913 . 1 1 75 75 LEU HD13 H 1 0.877 0.040 . 2 . . . A 75 LEU HD13 . 19427 1 914 . 1 1 75 75 LEU HD21 H 1 0.820 0.040 . 2 . . . A 75 LEU HD21 . 19427 1 915 . 1 1 75 75 LEU HD22 H 1 0.820 0.040 . 2 . . . A 75 LEU HD22 . 19427 1 916 . 1 1 75 75 LEU HD23 H 1 0.820 0.040 . 2 . . . A 75 LEU HD23 . 19427 1 917 . 1 1 75 75 LEU C C 13 175.022 0.450 . 1 . . . A 75 LEU C . 19427 1 918 . 1 1 75 75 LEU CA C 13 52.632 0.450 . 1 . . . A 75 LEU CA . 19427 1 919 . 1 1 75 75 LEU CB C 13 47.158 0.450 . 1 . . . A 75 LEU CB . 19427 1 920 . 1 1 75 75 LEU CG C 13 27.040 0.450 . 1 . . . A 75 LEU CG . 19427 1 921 . 1 1 75 75 LEU CD1 C 13 25.327 0.450 . 2 . . . A 75 LEU CD1 . 19427 1 922 . 1 1 75 75 LEU CD2 C 13 26.103 0.450 . 2 . . . A 75 LEU CD2 . 19427 1 923 . 1 1 75 75 LEU N N 15 118.357 0.450 . 1 . . . A 75 LEU N . 19427 1 924 . 1 1 76 76 ASP H H 1 8.412 0.040 . 1 . . . A 76 ASP H . 19427 1 925 . 1 1 76 76 ASP HA H 1 4.603 0.040 . 1 . . . A 76 ASP HA . 19427 1 926 . 1 1 76 76 ASP HB2 H 1 2.777 0.040 . 2 . . . A 76 ASP HB2 . 19427 1 927 . 1 1 76 76 ASP HB3 H 1 2.777 0.040 . 2 . . . A 76 ASP HB3 . 19427 1 928 . 1 1 76 76 ASP C C 13 176.384 0.450 . 1 . . . A 76 ASP C . 19427 1 929 . 1 1 76 76 ASP CA C 13 54.383 0.450 . 1 . . . A 76 ASP CA . 19427 1 930 . 1 1 76 76 ASP CB C 13 43.227 0.450 . 1 . . . A 76 ASP CB . 19427 1 931 . 1 1 76 76 ASP N N 15 122.400 0.450 . 1 . . . A 76 ASP N . 19427 1 932 . 1 1 77 77 ALA H H 1 8.601 0.040 . 1 . . . A 77 ALA H . 19427 1 933 . 1 1 77 77 ALA HA H 1 4.054 0.040 . 1 . . . A 77 ALA HA . 19427 1 934 . 1 1 77 77 ALA HB1 H 1 1.458 0.040 . 1 . . . A 77 ALA HB1 . 19427 1 935 . 1 1 77 77 ALA HB2 H 1 1.458 0.040 . 1 . . . A 77 ALA HB2 . 19427 1 936 . 1 1 77 77 ALA HB3 H 1 1.458 0.040 . 1 . . . A 77 ALA HB3 . 19427 1 937 . 1 1 77 77 ALA C C 13 179.068 0.450 . 1 . . . A 77 ALA C . 19427 1 938 . 1 1 77 77 ALA CA C 13 54.731 0.450 . 1 . . . A 77 ALA CA . 19427 1 939 . 1 1 77 77 ALA CB C 13 18.749 0.450 . 1 . . . A 77 ALA CB . 19427 1 940 . 1 1 77 77 ALA N N 15 123.828 0.450 . 1 . . . A 77 ALA N . 19427 1 941 . 1 1 78 78 ASP H H 1 8.791 0.040 . 1 . . . A 78 ASP H . 19427 1 942 . 1 1 78 78 ASP HA H 1 4.513 0.040 . 1 . . . A 78 ASP HA . 19427 1 943 . 1 1 78 78 ASP HB2 H 1 2.748 0.040 . 2 . . . A 78 ASP HB2 . 19427 1 944 . 1 1 78 78 ASP HB3 H 1 2.653 0.040 . 2 . . . A 78 ASP HB3 . 19427 1 945 . 1 1 78 78 ASP C C 13 174.868 0.450 . 1 . . . A 78 ASP C . 19427 1 946 . 1 1 78 78 ASP CA C 13 56.278 0.450 . 1 . . . A 78 ASP CA . 19427 1 947 . 1 1 78 78 ASP CB C 13 40.908 0.450 . 1 . . . A 78 ASP CB . 19427 1 948 . 1 1 78 78 ASP N N 15 118.882 0.450 . 1 . . . A 78 ASP N . 19427 1 949 . 1 1 79 79 ALA H H 1 8.287 0.040 . 1 . . . A 79 ALA H . 19427 1 950 . 1 1 79 79 ALA HA H 1 4.001 0.040 . 1 . . . A 79 ALA HA . 19427 1 951 . 1 1 79 79 ALA HB1 H 1 1.445 0.040 . 1 . . . A 79 ALA HB1 . 19427 1 952 . 1 1 79 79 ALA HB2 H 1 1.445 0.040 . 1 . . . A 79 ALA HB2 . 19427 1 953 . 1 1 79 79 ALA HB3 H 1 1.445 0.040 . 1 . . . A 79 ALA HB3 . 19427 1 954 . 1 1 79 79 ALA C C 13 178.803 0.450 . 1 . . . A 79 ALA C . 19427 1 955 . 1 1 79 79 ALA CA C 13 54.391 0.450 . 1 . . . A 79 ALA CA . 19427 1 956 . 1 1 79 79 ALA CB C 13 19.920 0.450 . 1 . . . A 79 ALA CB . 19427 1 957 . 1 1 79 79 ALA N N 15 121.027 0.450 . 1 . . . A 79 ALA N . 19427 1 958 . 1 1 80 80 ARG H H 1 7.689 0.040 . 1 . . . A 80 ARG H . 19427 1 959 . 1 1 80 80 ARG HA H 1 3.924 0.040 . 1 . . . A 80 ARG HA . 19427 1 960 . 1 1 80 80 ARG HB2 H 1 1.816 0.040 . 2 . . . A 80 ARG HB2 . 19427 1 961 . 1 1 80 80 ARG HB3 H 1 1.758 0.040 . 2 . . . A 80 ARG HB3 . 19427 1 962 . 1 1 80 80 ARG HG2 H 1 1.614 0.040 . 2 . . . A 80 ARG HG2 . 19427 1 963 . 1 1 80 80 ARG HG3 H 1 1.614 0.040 . 2 . . . A 80 ARG HG3 . 19427 1 964 . 1 1 80 80 ARG HD2 H 1 3.274 0.040 . 2 . . . A 80 ARG HD2 . 19427 1 965 . 1 1 80 80 ARG HD3 H 1 3.096 0.040 . 2 . . . A 80 ARG HD3 . 19427 1 966 . 1 1 80 80 ARG C C 13 178.254 0.450 . 1 . . . A 80 ARG C . 19427 1 967 . 1 1 80 80 ARG CA C 13 59.229 0.450 . 1 . . . A 80 ARG CA . 19427 1 968 . 1 1 80 80 ARG CB C 13 30.257 0.450 . 1 . . . A 80 ARG CB . 19427 1 969 . 1 1 80 80 ARG CG C 13 28.336 0.450 . 1 . . . A 80 ARG CG . 19427 1 970 . 1 1 80 80 ARG CD C 13 43.440 0.450 . 1 . . . A 80 ARG CD . 19427 1 971 . 1 1 80 80 ARG N N 15 115.805 0.450 . 1 . . . A 80 ARG N . 19427 1 972 . 1 1 81 81 ARG H H 1 7.782 0.040 . 1 . . . A 81 ARG H . 19427 1 973 . 1 1 81 81 ARG HA H 1 4.206 0.040 . 1 . . . A 81 ARG HA . 19427 1 974 . 1 1 81 81 ARG HB2 H 1 1.895 0.040 . 2 . . . A 81 ARG HB2 . 19427 1 975 . 1 1 81 81 ARG HB3 H 1 1.895 0.040 . 2 . . . A 81 ARG HB3 . 19427 1 976 . 1 1 81 81 ARG HG2 H 1 1.623 0.040 . 2 . . . A 81 ARG HG2 . 19427 1 977 . 1 1 81 81 ARG HG3 H 1 1.623 0.040 . 2 . . . A 81 ARG HG3 . 19427 1 978 . 1 1 81 81 ARG HD2 H 1 3.259 0.040 . 2 . . . A 81 ARG HD2 . 19427 1 979 . 1 1 81 81 ARG HD3 H 1 3.259 0.040 . 2 . . . A 81 ARG HD3 . 19427 1 980 . 1 1 81 81 ARG C C 13 177.214 0.450 . 1 . . . A 81 ARG C . 19427 1 981 . 1 1 81 81 ARG CA C 13 57.693 0.450 . 1 . . . A 81 ARG CA . 19427 1 982 . 1 1 81 81 ARG CB C 13 30.242 0.450 . 1 . . . A 81 ARG CB . 19427 1 983 . 1 1 81 81 ARG CG C 13 27.951 0.450 . 1 . . . A 81 ARG CG . 19427 1 984 . 1 1 81 81 ARG CD C 13 43.509 0.450 . 1 . . . A 81 ARG CD . 19427 1 985 . 1 1 81 81 ARG N N 15 117.554 0.450 . 1 . . . A 81 ARG N . 19427 1 986 . 1 1 82 82 ALA H H 1 7.875 0.040 . 1 . . . A 82 ALA H . 19427 1 987 . 1 1 82 82 ALA HA H 1 4.279 0.040 . 1 . . . A 82 ALA HA . 19427 1 988 . 1 1 82 82 ALA HB1 H 1 1.444 0.040 . 1 . . . A 82 ALA HB1 . 19427 1 989 . 1 1 82 82 ALA HB2 H 1 1.444 0.040 . 1 . . . A 82 ALA HB2 . 19427 1 990 . 1 1 82 82 ALA HB3 H 1 1.444 0.040 . 1 . . . A 82 ALA HB3 . 19427 1 991 . 1 1 82 82 ALA C C 13 177.798 0.450 . 1 . . . A 82 ALA C . 19427 1 992 . 1 1 82 82 ALA CA C 13 53.255 0.450 . 1 . . . A 82 ALA CA . 19427 1 993 . 1 1 82 82 ALA CB C 13 19.563 0.450 . 1 . . . A 82 ALA CB . 19427 1 994 . 1 1 82 82 ALA N N 15 121.590 0.450 . 1 . . . A 82 ALA N . 19427 1 995 . 1 1 83 83 VAL H H 1 7.503 0.040 . 1 . . . A 83 VAL H . 19427 1 996 . 1 1 83 83 VAL HA H 1 4.141 0.040 . 1 . . . A 83 VAL HA . 19427 1 997 . 1 1 83 83 VAL HB H 1 2.122 0.040 . 1 . . . A 83 VAL HB . 19427 1 998 . 1 1 83 83 VAL HG11 H 1 0.902 0.040 . 2 . . . A 83 VAL HG11 . 19427 1 999 . 1 1 83 83 VAL HG12 H 1 0.902 0.040 . 2 . . . A 83 VAL HG12 . 19427 1 1000 . 1 1 83 83 VAL HG13 H 1 0.902 0.040 . 2 . . . A 83 VAL HG13 . 19427 1 1001 . 1 1 83 83 VAL HG21 H 1 0.834 0.040 . 2 . . . A 83 VAL HG21 . 19427 1 1002 . 1 1 83 83 VAL HG22 H 1 0.834 0.040 . 2 . . . A 83 VAL HG22 . 19427 1 1003 . 1 1 83 83 VAL HG23 H 1 0.834 0.040 . 2 . . . A 83 VAL HG23 . 19427 1 1004 . 1 1 83 83 VAL C C 13 175.572 0.450 . 1 . . . A 83 VAL C . 19427 1 1005 . 1 1 83 83 VAL CA C 13 62.041 0.450 . 1 . . . A 83 VAL CA . 19427 1 1006 . 1 1 83 83 VAL CB C 13 32.781 0.450 . 1 . . . A 83 VAL CB . 19427 1 1007 . 1 1 83 83 VAL CG1 C 13 20.493 0.450 . 2 . . . A 83 VAL CG1 . 19427 1 1008 . 1 1 83 83 VAL CG2 C 13 21.515 0.450 . 2 . . . A 83 VAL CG2 . 19427 1 1009 . 1 1 83 83 VAL N N 15 114.483 0.450 . 1 . . . A 83 VAL N . 19427 1 1010 . 1 1 84 84 ALA H H 1 7.876 0.040 . 1 . . . A 84 ALA H . 19427 1 1011 . 1 1 84 84 ALA HA H 1 4.321 0.040 . 1 . . . A 84 ALA HA . 19427 1 1012 . 1 1 84 84 ALA HB1 H 1 1.376 0.040 . 1 . . . A 84 ALA HB1 . 19427 1 1013 . 1 1 84 84 ALA HB2 H 1 1.376 0.040 . 1 . . . A 84 ALA HB2 . 19427 1 1014 . 1 1 84 84 ALA HB3 H 1 1.376 0.040 . 1 . . . A 84 ALA HB3 . 19427 1 1015 . 1 1 84 84 ALA C C 13 177.696 0.450 . 1 . . . A 84 ALA C . 19427 1 1016 . 1 1 84 84 ALA CA C 13 52.771 0.450 . 1 . . . A 84 ALA CA . 19427 1 1017 . 1 1 84 84 ALA CB C 13 19.512 0.450 . 1 . . . A 84 ALA CB . 19427 1 1018 . 1 1 84 84 ALA N N 15 125.870 0.450 . 1 . . . A 84 ALA N . 19427 1 1019 . 1 1 85 85 SER H H 1 8.521 0.040 . 1 . . . A 85 SER H . 19427 1 1020 . 1 1 85 85 SER HA H 1 4.396 0.040 . 1 . . . A 85 SER HA . 19427 1 1021 . 1 1 85 85 SER HB2 H 1 3.869 0.040 . 2 . . . A 85 SER HB2 . 19427 1 1022 . 1 1 85 85 SER HB3 H 1 3.869 0.040 . 2 . . . A 85 SER HB3 . 19427 1 1023 . 1 1 85 85 SER CA C 13 58.393 0.450 . 1 . . . A 85 SER CA . 19427 1 1024 . 1 1 85 85 SER CB C 13 63.915 0.450 . 1 . . . A 85 SER CB . 19427 1 1025 . 1 1 85 85 SER N N 15 114.965 0.450 . 1 . . . A 85 SER N . 19427 1 1026 . 1 1 86 86 HIS HA H 1 4.666 0.040 . 1 . . . A 86 HIS HA . 19427 1 1027 . 1 1 86 86 HIS HB2 H 1 3.217 0.040 . 2 . . . A 86 HIS HB2 . 19427 1 1028 . 1 1 86 86 HIS HB3 H 1 3.122 0.040 . 2 . . . A 86 HIS HB3 . 19427 1 1029 . 1 1 86 86 HIS C C 13 174.868 0.450 . 1 . . . A 86 HIS C . 19427 1 1030 . 1 1 86 86 HIS CA C 13 56.321 0.450 . 1 . . . A 86 HIS CA . 19427 1 1031 . 1 1 86 86 HIS CB C 13 30.312 0.450 . 1 . . . A 86 HIS CB . 19427 1 1032 . 1 1 87 87 ASP H H 1 8.326 0.040 . 1 . . . A 87 ASP H . 19427 1 1033 . 1 1 87 87 ASP HA H 1 4.603 0.040 . 1 . . . A 87 ASP HA . 19427 1 1034 . 1 1 87 87 ASP HB2 H 1 2.690 0.040 . 2 . . . A 87 ASP HB2 . 19427 1 1035 . 1 1 87 87 ASP HB3 H 1 2.580 0.040 . 2 . . . A 87 ASP HB3 . 19427 1 1036 . 1 1 87 87 ASP C C 13 175.917 0.450 . 1 . . . A 87 ASP C . 19427 1 1037 . 1 1 87 87 ASP CA C 13 54.577 0.450 . 1 . . . A 87 ASP CA . 19427 1 1038 . 1 1 87 87 ASP CB C 13 41.256 0.450 . 1 . . . A 87 ASP CB . 19427 1 1039 . 1 1 87 87 ASP N N 15 121.205 0.450 . 1 . . . A 87 ASP N . 19427 1 1040 . 1 1 88 88 GLU H H 1 8.352 0.040 . 1 . . . A 88 GLU H . 19427 1 1041 . 1 1 88 88 GLU HA H 1 4.317 0.040 . 1 . . . A 88 GLU HA . 19427 1 1042 . 1 1 88 88 GLU HB2 H 1 2.101 0.040 . 2 . . . A 88 GLU HB2 . 19427 1 1043 . 1 1 88 88 GLU HB3 H 1 1.934 0.040 . 2 . . . A 88 GLU HB3 . 19427 1 1044 . 1 1 88 88 GLU HG2 H 1 2.272 0.040 . 2 . . . A 88 GLU HG2 . 19427 1 1045 . 1 1 88 88 GLU HG3 H 1 2.272 0.040 . 2 . . . A 88 GLU HG3 . 19427 1 1046 . 1 1 88 88 GLU C C 13 175.455 0.450 . 1 . . . A 88 GLU C . 19427 1 1047 . 1 1 88 88 GLU CA C 13 56.372 0.450 . 1 . . . A 88 GLU CA . 19427 1 1048 . 1 1 88 88 GLU CB C 13 30.373 0.450 . 1 . . . A 88 GLU CB . 19427 1 1049 . 1 1 88 88 GLU CG C 13 36.359 0.450 . 1 . . . A 88 GLU CG . 19427 1 1050 . 1 1 88 88 GLU N N 15 121.167 0.450 . 1 . . . A 88 GLU N . 19427 1 1051 . 1 1 89 89 LEU H H 1 7.918 0.040 . 1 . . . A 89 LEU H . 19427 1 1052 . 1 1 89 89 LEU HA H 1 4.165 0.040 . 1 . . . A 89 LEU HA . 19427 1 1053 . 1 1 89 89 LEU HB2 H 1 1.584 0.040 . 2 . . . A 89 LEU HB2 . 19427 1 1054 . 1 1 89 89 LEU HB3 H 1 1.584 0.040 . 2 . . . A 89 LEU HB3 . 19427 1 1055 . 1 1 89 89 LEU HD11 H 1 0.863 0.040 . 2 . . . A 89 LEU HD11 . 19427 1 1056 . 1 1 89 89 LEU HD12 H 1 0.863 0.040 . 2 . . . A 89 LEU HD12 . 19427 1 1057 . 1 1 89 89 LEU HD13 H 1 0.863 0.040 . 2 . . . A 89 LEU HD13 . 19427 1 1058 . 1 1 89 89 LEU HD21 H 1 0.905 0.040 . 2 . . . A 89 LEU HD21 . 19427 1 1059 . 1 1 89 89 LEU HD22 H 1 0.905 0.040 . 2 . . . A 89 LEU HD22 . 19427 1 1060 . 1 1 89 89 LEU HD23 H 1 0.905 0.040 . 2 . . . A 89 LEU HD23 . 19427 1 1061 . 1 1 89 89 LEU CA C 13 57.150 0.450 . 1 . . . A 89 LEU CA . 19427 1 1062 . 1 1 89 89 LEU CB C 13 43.446 0.450 . 1 . . . A 89 LEU CB . 19427 1 1063 . 1 1 89 89 LEU CD1 C 13 23.640 0.450 . 2 . . . A 89 LEU CD1 . 19427 1 1064 . 1 1 89 89 LEU CD2 C 13 25.344 0.450 . 2 . . . A 89 LEU CD2 . 19427 1 1065 . 1 1 89 89 LEU N N 15 128.871 0.450 . 1 . . . A 89 LEU N . 19427 1 stop_ save_