data_19433 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19433 _Entry.Title ; NMR structure of the protein YP_002937094.1 from Eubacterium rectale ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-19 _Entry.Accession_date 2013-08-19 _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 NMR' _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 Andrew Proudfoot . . . 19433 2 Pedro Serrano . . . 19433 3 Michael Geralt . . . 19433 4 Samit Dutta . . . 19433 5 Kurt Wuthrich . . . 19433 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 PSI:Biology 'Joint Center for Structural Genomics' . 19433 2 'not applicable' 'not applicable' . 19433 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Unknown Function' . 19433 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19433 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 19433 '15N chemical shifts' 112 19433 '1H chemical shifts' 693 19433 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 . . 2013-09-11 2013-08-16 update author 'update ambiguity codes' 19433 1 . . 2013-09-03 2013-08-16 original author 'original release' 19433 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MCA 'BMRB Entry Tracking System' 19433 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19433 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the protein YP_002937094.1 from Eubacterium rectale' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrew Proudfoot . . . 19433 1 2 Kurt Wuthrich . . . 19433 1 3 Pedro Serrano . . . 19433 1 4 Michael Geralt . . . 19433 1 5 Samit Dutta . K. . 19433 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19433 _Assembly.ID 1 _Assembly.Name YP_002937094.1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 YP_002937094.1 1 $entity A . yes native no no . . . 19433 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19433 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GAQDGKETTTIRLINQTYFN VKNIKVTWNDGKEQTVNTLG SHDSIDFSSDAGSVYKMDVT GTTQSGEKFTGHFKGLVGKD TRVFIELDENADVQVFIPQG EID ; _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 103 _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 11358.535 _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 2MCA . "Nmr Structure Of The Protein Yp_002937094.1 From Eubacterium Rectale" . . . . . 100.00 103 100.00 100.00 1.21e-66 . . . . 19433 1 2 no EMBL CBK93813 . "hypothetical protein ERE_18920 [Eubacterium rectale M104/1]" . . . . . 100.00 115 99.03 99.03 4.52e-66 . . . . 19433 1 3 no EMBL CDC69040 . "putative uncharacterized protein [Eubacterium rectale CAG:36]" . . . . . 100.00 133 99.03 99.03 2.42e-66 . . . . 19433 1 4 no EMBL CUN23035 . "Uncharacterised protein [[Ruminococcus] torques]" . . . . . 100.00 133 99.03 99.03 2.42e-66 . . . . 19433 1 5 no EMBL CUN83241 . "Uncharacterised protein [Eubacterium rectale]" . . . . . 100.00 133 98.06 98.06 2.52e-65 . . . . 19433 1 6 no GB ACR74960 . "Hypothetical protein EUBREC_1200 [Eubacterium rectale ATCC 33656]" . . . . . 100.00 133 99.03 99.03 2.42e-66 . . . . 19433 1 7 no REF WP_012742060 . "MULTISPECIES: hypothetical protein [Clostridiales]" . . . . . 100.00 133 99.03 99.03 2.42e-66 . . . . 19433 1 8 no REF WP_055223681 . "hypothetical protein [Eubacterium rectale]" . . . . . 100.00 133 98.06 98.06 2.52e-65 . . . . 19433 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 . GLY . 19433 1 2 . ALA . 19433 1 3 . GLN . 19433 1 4 . ASP . 19433 1 5 . GLY . 19433 1 6 . LYS . 19433 1 7 . GLU . 19433 1 8 . THR . 19433 1 9 . THR . 19433 1 10 . THR . 19433 1 11 . ILE . 19433 1 12 . ARG . 19433 1 13 . LEU . 19433 1 14 . ILE . 19433 1 15 . ASN . 19433 1 16 . GLN . 19433 1 17 . THR . 19433 1 18 . TYR . 19433 1 19 . PHE . 19433 1 20 . ASN . 19433 1 21 . VAL . 19433 1 22 . LYS . 19433 1 23 . ASN . 19433 1 24 . ILE . 19433 1 25 . LYS . 19433 1 26 . VAL . 19433 1 27 . THR . 19433 1 28 . TRP . 19433 1 29 . ASN . 19433 1 30 . ASP . 19433 1 31 . GLY . 19433 1 32 . LYS . 19433 1 33 . GLU . 19433 1 34 . GLN . 19433 1 35 . THR . 19433 1 36 . VAL . 19433 1 37 . ASN . 19433 1 38 . THR . 19433 1 39 . LEU . 19433 1 40 . GLY . 19433 1 41 . SER . 19433 1 42 . HIS . 19433 1 43 . ASP . 19433 1 44 . SER . 19433 1 45 . ILE . 19433 1 46 . ASP . 19433 1 47 . PHE . 19433 1 48 . SER . 19433 1 49 . SER . 19433 1 50 . ASP . 19433 1 51 . ALA . 19433 1 52 . GLY . 19433 1 53 . SER . 19433 1 54 . VAL . 19433 1 55 . TYR . 19433 1 56 . LYS . 19433 1 57 . MET . 19433 1 58 . ASP . 19433 1 59 . VAL . 19433 1 60 . THR . 19433 1 61 . GLY . 19433 1 62 . THR . 19433 1 63 . THR . 19433 1 64 . GLN . 19433 1 65 . SER . 19433 1 66 . GLY . 19433 1 67 . GLU . 19433 1 68 . LYS . 19433 1 69 . PHE . 19433 1 70 . THR . 19433 1 71 . GLY . 19433 1 72 . HIS . 19433 1 73 . PHE . 19433 1 74 . LYS . 19433 1 75 . GLY . 19433 1 76 . LEU . 19433 1 77 . VAL . 19433 1 78 . GLY . 19433 1 79 . LYS . 19433 1 80 . ASP . 19433 1 81 . THR . 19433 1 82 . ARG . 19433 1 83 . VAL . 19433 1 84 . PHE . 19433 1 85 . ILE . 19433 1 86 . GLU . 19433 1 87 . LEU . 19433 1 88 . ASP . 19433 1 89 . GLU . 19433 1 90 . ASN . 19433 1 91 . ALA . 19433 1 92 . ASP . 19433 1 93 . VAL . 19433 1 94 . GLN . 19433 1 95 . VAL . 19433 1 96 . PHE . 19433 1 97 . ILE . 19433 1 98 . PRO . 19433 1 99 . GLN . 19433 1 100 . GLY . 19433 1 101 . GLU . 19433 1 102 . ILE . 19433 1 103 . ASP . 19433 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19433 1 . ALA 2 2 19433 1 . GLN 3 3 19433 1 . ASP 4 4 19433 1 . GLY 5 5 19433 1 . LYS 6 6 19433 1 . GLU 7 7 19433 1 . THR 8 8 19433 1 . THR 9 9 19433 1 . THR 10 10 19433 1 . ILE 11 11 19433 1 . ARG 12 12 19433 1 . LEU 13 13 19433 1 . ILE 14 14 19433 1 . ASN 15 15 19433 1 . GLN 16 16 19433 1 . THR 17 17 19433 1 . TYR 18 18 19433 1 . PHE 19 19 19433 1 . ASN 20 20 19433 1 . VAL 21 21 19433 1 . LYS 22 22 19433 1 . ASN 23 23 19433 1 . ILE 24 24 19433 1 . LYS 25 25 19433 1 . VAL 26 26 19433 1 . THR 27 27 19433 1 . TRP 28 28 19433 1 . ASN 29 29 19433 1 . ASP 30 30 19433 1 . GLY 31 31 19433 1 . LYS 32 32 19433 1 . GLU 33 33 19433 1 . GLN 34 34 19433 1 . THR 35 35 19433 1 . VAL 36 36 19433 1 . ASN 37 37 19433 1 . THR 38 38 19433 1 . LEU 39 39 19433 1 . GLY 40 40 19433 1 . SER 41 41 19433 1 . HIS 42 42 19433 1 . ASP 43 43 19433 1 . SER 44 44 19433 1 . ILE 45 45 19433 1 . ASP 46 46 19433 1 . PHE 47 47 19433 1 . SER 48 48 19433 1 . SER 49 49 19433 1 . ASP 50 50 19433 1 . ALA 51 51 19433 1 . GLY 52 52 19433 1 . SER 53 53 19433 1 . VAL 54 54 19433 1 . TYR 55 55 19433 1 . LYS 56 56 19433 1 . MET 57 57 19433 1 . ASP 58 58 19433 1 . VAL 59 59 19433 1 . THR 60 60 19433 1 . GLY 61 61 19433 1 . THR 62 62 19433 1 . THR 63 63 19433 1 . GLN 64 64 19433 1 . SER 65 65 19433 1 . GLY 66 66 19433 1 . GLU 67 67 19433 1 . LYS 68 68 19433 1 . PHE 69 69 19433 1 . THR 70 70 19433 1 . GLY 71 71 19433 1 . HIS 72 72 19433 1 . PHE 73 73 19433 1 . LYS 74 74 19433 1 . GLY 75 75 19433 1 . LEU 76 76 19433 1 . VAL 77 77 19433 1 . GLY 78 78 19433 1 . LYS 79 79 19433 1 . ASP 80 80 19433 1 . THR 81 81 19433 1 . ARG 82 82 19433 1 . VAL 83 83 19433 1 . PHE 84 84 19433 1 . ILE 85 85 19433 1 . GLU 86 86 19433 1 . LEU 87 87 19433 1 . ASP 88 88 19433 1 . GLU 89 89 19433 1 . ASN 90 90 19433 1 . ALA 91 91 19433 1 . ASP 92 92 19433 1 . VAL 93 93 19433 1 . GLN 94 94 19433 1 . VAL 95 95 19433 1 . PHE 96 96 19433 1 . ILE 97 97 19433 1 . PRO 98 98 19433 1 . GLN 99 99 19433 1 . GLY 100 100 19433 1 . GLU 101 101 19433 1 . ILE 102 102 19433 1 . ASP 103 103 19433 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 19433 _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 $entity . 39491 organism . 'Eubacterium rectale' 'Eubacterium rectale' . . Bacteria . Eubacterium rectale . . . . . . . . . . . . . . . . . . . . . 19433 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 19433 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pspeedet . . . . . . 19433 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19433 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19433 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19433 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19433 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19433 1 5 H20 'natural abundance' . . . . . . 95 . . % . . . . 19433 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19433 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19433 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.220 . M 19433 1 pH 6.0 . pH 19433 1 pressure 1 . atm 19433 1 temperature 298 . K 19433 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19433 _Software.ID 1 _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' . . 19433 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19433 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19433 _Software.ID 2 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 19433 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19433 2 'structure solution' 19433 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19433 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19433 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19433 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19433 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19433 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19433 4 processing 19433 4 stop_ save_ save_Opalp _Software.Sf_category software _Software.Sf_framecode Opalp _Software.Entry_ID 19433 _Software.ID 5 _Software.Name Opalp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19433 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19433 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 19433 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19433 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19433 _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 . 600 . . . 19433 1 2 spectrometer_2 Bruker Avance . 800 . . . 19433 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 19433 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19433 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19433 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19433 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19433 1 5 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19433 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19433 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19433 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19433 _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 . . . . . . . . . 19433 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19433 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19433 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19433 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19433 1 2 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19433 1 3 '3D 1H-13C NOESY aromatic' 1 $sample_1 . 19433 1 4 '3D 1H-15N NOESY' 1 $sample_1 . 19433 1 5 'APSY 4D-HACANH' 1 $sample_1 . 19433 1 6 'APSY 5D-CBCACONH' 1 $sample_1 . 19433 1 7 'APSY 5D-HACACONH' 1 $sample_1 . 19433 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.231 0.025 . 1 . . . A 2 ALA HA . 19433 1 2 . 1 1 2 2 ALA HB1 H 1 1.334 0.025 . 1 . . . A 2 ALA QB . 19433 1 3 . 1 1 2 2 ALA HB2 H 1 1.334 0.025 . 1 . . . A 2 ALA QB . 19433 1 4 . 1 1 2 2 ALA HB3 H 1 1.334 0.025 . 1 . . . A 2 ALA QB . 19433 1 5 . 1 1 2 2 ALA CA C 13 50.533 0.141 . 1 . . . A 2 ALA CA . 19433 1 6 . 1 1 2 2 ALA CB C 13 16.644 0.141 . 1 . . . A 2 ALA CB . 19433 1 7 . 1 1 3 3 GLN H H 1 8.579 0.025 . 1 . . . A 3 GLN H . 19433 1 8 . 1 1 3 3 GLN HA H 1 4.268 0.025 . 1 . . . A 3 GLN HA . 19433 1 9 . 1 1 3 3 GLN HB2 H 1 1.921 0.025 . 2 . . . A 3 GLN HB2 . 19433 1 10 . 1 1 3 3 GLN HB3 H 1 2.084 0.025 . 2 . . . A 3 GLN HB3 . 19433 1 11 . 1 1 3 3 GLN HG2 H 1 2.291 0.025 . 2 . . . A 3 GLN QG . 19433 1 12 . 1 1 3 3 GLN HG3 H 1 2.291 0.025 . 2 . . . A 3 GLN QG . 19433 1 13 . 1 1 3 3 GLN CB C 13 26.439 0.141 . 1 . . . A 3 GLN CB . 19433 1 14 . 1 1 3 3 GLN CG C 13 31.295 0.141 . 1 . . . A 3 GLN CG . 19433 1 15 . 1 1 3 3 GLN N N 15 118.180 0.102 . 1 . . . A 3 GLN N . 19433 1 16 . 1 1 4 4 ASP H H 1 8.061 0.025 . 1 . . . A 4 ASP H . 19433 1 17 . 1 1 4 4 ASP HA H 1 4.497 0.025 . 1 . . . A 4 ASP HA . 19433 1 18 . 1 1 4 4 ASP HB2 H 1 2.630 0.025 . 2 . . . A 4 ASP QB . 19433 1 19 . 1 1 4 4 ASP HB3 H 1 2.630 0.025 . 2 . . . A 4 ASP QB . 19433 1 20 . 1 1 4 4 ASP CA C 13 51.765 0.141 . 1 . . . A 4 ASP CA . 19433 1 21 . 1 1 4 4 ASP CB C 13 38.522 0.141 . 1 . . . A 4 ASP CB . 19433 1 22 . 1 1 4 4 ASP N N 15 120.328 0.102 . 1 . . . A 4 ASP N . 19433 1 23 . 1 1 5 5 GLY H H 1 8.322 0.025 . 1 . . . A 5 GLY H . 19433 1 24 . 1 1 5 5 GLY HA2 H 1 3.865 0.025 . 2 . . . A 5 GLY HA2 . 19433 1 25 . 1 1 5 5 GLY HA3 H 1 3.889 0.025 . 2 . . . A 5 GLY HA3 . 19433 1 26 . 1 1 5 5 GLY CA C 13 43.030 0.141 . 1 . . . A 5 GLY CA . 19433 1 27 . 1 1 5 5 GLY N N 15 109.114 0.102 . 1 . . . A 5 GLY N . 19433 1 28 . 1 1 6 6 LYS H H 1 8.030 0.025 . 1 . . . A 6 LYS H . 19433 1 29 . 1 1 6 6 LYS HA H 1 4.297 0.025 . 1 . . . A 6 LYS HA . 19433 1 30 . 1 1 6 6 LYS HB2 H 1 1.780 0.025 . 2 . . . A 6 LYS HB2 . 19433 1 31 . 1 1 6 6 LYS HB3 H 1 1.690 0.025 . 2 . . . A 6 LYS HB3 . 19433 1 32 . 1 1 6 6 LYS CA C 13 53.319 0.141 . 1 . . . A 6 LYS CA . 19433 1 33 . 1 1 6 6 LYS CB C 13 30.441 0.141 . 1 . . . A 6 LYS CB . 19433 1 34 . 1 1 6 6 LYS N N 15 120.397 0.102 . 1 . . . A 6 LYS N . 19433 1 35 . 1 1 7 7 GLU H H 1 8.464 0.025 . 1 . . . A 7 GLU H . 19433 1 36 . 1 1 7 7 GLU HA H 1 4.295 0.025 . 1 . . . A 7 GLU HA . 19433 1 37 . 1 1 7 7 GLU HB2 H 1 1.849 0.025 . 2 . . . A 7 GLU HB2 . 19433 1 38 . 1 1 7 7 GLU HB3 H 1 1.968 0.025 . 2 . . . A 7 GLU HB3 . 19433 1 39 . 1 1 7 7 GLU HG2 H 1 2.150 0.025 . 2 . . . A 7 GLU QG . 19433 1 40 . 1 1 7 7 GLU HG3 H 1 2.150 0.025 . 2 . . . A 7 GLU QG . 19433 1 41 . 1 1 7 7 GLU CA C 13 53.287 0.141 . 1 . . . A 7 GLU CA . 19433 1 42 . 1 1 7 7 GLU CB C 13 27.757 0.141 . 1 . . . A 7 GLU CB . 19433 1 43 . 1 1 7 7 GLU CG C 13 33.667 0.141 . 1 . . . A 7 GLU CG . 19433 1 44 . 1 1 7 7 GLU N N 15 122.113 0.102 . 1 . . . A 7 GLU N . 19433 1 45 . 1 1 8 8 THR H H 1 7.984 0.025 . 1 . . . A 8 THR H . 19433 1 46 . 1 1 8 8 THR HA H 1 4.543 0.025 . 1 . . . A 8 THR HA . 19433 1 47 . 1 1 8 8 THR HB H 1 4.057 0.025 . 1 . . . A 8 THR HB . 19433 1 48 . 1 1 8 8 THR HG21 H 1 1.045 0.025 . 1 . . . A 8 THR QG2 . 19433 1 49 . 1 1 8 8 THR HG22 H 1 1.045 0.025 . 1 . . . A 8 THR QG2 . 19433 1 50 . 1 1 8 8 THR HG23 H 1 1.045 0.025 . 1 . . . A 8 THR QG2 . 19433 1 51 . 1 1 8 8 THR CA C 13 57.966 0.141 . 1 . . . A 8 THR CA . 19433 1 52 . 1 1 8 8 THR CB C 13 68.123 0.141 . 1 . . . A 8 THR CB . 19433 1 53 . 1 1 8 8 THR CG2 C 13 19.073 0.141 . 1 . . . A 8 THR CG2 . 19433 1 54 . 1 1 8 8 THR N N 15 114.459 0.102 . 1 . . . A 8 THR N . 19433 1 55 . 1 1 9 9 THR H H 1 8.140 0.025 . 1 . . . A 9 THR H . 19433 1 56 . 1 1 9 9 THR HA H 1 4.584 0.025 . 1 . . . A 9 THR HA . 19433 1 57 . 1 1 9 9 THR HB H 1 4.208 0.025 . 1 . . . A 9 THR HB . 19433 1 58 . 1 1 9 9 THR HG21 H 1 1.007 0.025 . 1 . . . A 9 THR QG2 . 19433 1 59 . 1 1 9 9 THR HG22 H 1 1.007 0.025 . 1 . . . A 9 THR QG2 . 19433 1 60 . 1 1 9 9 THR HG23 H 1 1.007 0.025 . 1 . . . A 9 THR QG2 . 19433 1 61 . 1 1 9 9 THR CA C 13 58.575 0.141 . 1 . . . A 9 THR CA . 19433 1 62 . 1 1 9 9 THR CB C 13 67.866 0.141 . 1 . . . A 9 THR CB . 19433 1 63 . 1 1 9 9 THR CG2 C 13 19.786 0.141 . 1 . . . A 9 THR CG2 . 19433 1 64 . 1 1 9 9 THR N N 15 116.229 0.102 . 1 . . . A 9 THR N . 19433 1 65 . 1 1 10 10 THR H H 1 8.544 0.025 . 1 . . . A 10 THR H . 19433 1 66 . 1 1 10 10 THR HA H 1 4.563 0.025 . 1 . . . A 10 THR HA . 19433 1 67 . 1 1 10 10 THR HB H 1 3.658 0.025 . 1 . . . A 10 THR HB . 19433 1 68 . 1 1 10 10 THR HG21 H 1 0.844 0.025 . 1 . . . A 10 THR QG2 . 19433 1 69 . 1 1 10 10 THR HG22 H 1 0.844 0.025 . 1 . . . A 10 THR QG2 . 19433 1 70 . 1 1 10 10 THR HG23 H 1 0.844 0.025 . 1 . . . A 10 THR QG2 . 19433 1 71 . 1 1 10 10 THR CA C 13 59.364 0.141 . 1 . . . A 10 THR CA . 19433 1 72 . 1 1 10 10 THR CB C 13 68.411 0.141 . 1 . . . A 10 THR CB . 19433 1 73 . 1 1 10 10 THR CG2 C 13 19.216 0.141 . 1 . . . A 10 THR CG2 . 19433 1 74 . 1 1 10 10 THR N N 15 118.509 0.102 . 1 . . . A 10 THR N . 19433 1 75 . 1 1 11 11 ILE H H 1 8.595 0.025 . 1 . . . A 11 ILE H . 19433 1 76 . 1 1 11 11 ILE HA H 1 4.025 0.025 . 1 . . . A 11 ILE HA . 19433 1 77 . 1 1 11 11 ILE HB H 1 0.325 0.025 . 1 . . . A 11 ILE HB . 19433 1 78 . 1 1 11 11 ILE HG12 H 1 0.010 0.025 . 2 . . . A 11 ILE HG12 . 19433 1 79 . 1 1 11 11 ILE HG13 H 1 0.769 0.025 . 2 . . . A 11 ILE HG13 . 19433 1 80 . 1 1 11 11 ILE HG21 H 1 -0.008 0.025 . 1 . . . A 11 ILE QG2 . 19433 1 81 . 1 1 11 11 ILE HG22 H 1 -0.008 0.025 . 1 . . . A 11 ILE QG2 . 19433 1 82 . 1 1 11 11 ILE HG23 H 1 -0.008 0.025 . 1 . . . A 11 ILE QG2 . 19433 1 83 . 1 1 11 11 ILE HD11 H 1 -0.759 0.025 . 1 . . . A 11 ILE QD1 . 19433 1 84 . 1 1 11 11 ILE HD12 H 1 -0.759 0.025 . 1 . . . A 11 ILE QD1 . 19433 1 85 . 1 1 11 11 ILE HD13 H 1 -0.759 0.025 . 1 . . . A 11 ILE QD1 . 19433 1 86 . 1 1 11 11 ILE CA C 13 57.323 0.141 . 1 . . . A 11 ILE CA . 19433 1 87 . 1 1 11 11 ILE CB C 13 36.340 0.141 . 1 . . . A 11 ILE CB . 19433 1 88 . 1 1 11 11 ILE CG1 C 13 25.278 0.141 . 1 . . . A 11 ILE CG1 . 19433 1 89 . 1 1 11 11 ILE CG2 C 13 15.320 0.141 . 1 . . . A 11 ILE CG2 . 19433 1 90 . 1 1 11 11 ILE CD1 C 13 9.979 0.141 . 1 . . . A 11 ILE CD1 . 19433 1 91 . 1 1 11 11 ILE N N 15 126.772 0.102 . 1 . . . A 11 ILE N . 19433 1 92 . 1 1 12 12 ARG H H 1 8.031 0.025 . 1 . . . A 12 ARG H . 19433 1 93 . 1 1 12 12 ARG HA H 1 4.993 0.025 . 1 . . . A 12 ARG HA . 19433 1 94 . 1 1 12 12 ARG HB2 H 1 1.278 0.025 . 2 . . . A 12 ARG HB2 . 19433 1 95 . 1 1 12 12 ARG HB3 H 1 1.383 0.025 . 2 . . . A 12 ARG HB3 . 19433 1 96 . 1 1 12 12 ARG HG2 H 1 1.284 0.025 . 2 . . . A 12 ARG HG2 . 19433 1 97 . 1 1 12 12 ARG HG3 H 1 1.071 0.025 . 2 . . . A 12 ARG HG3 . 19433 1 98 . 1 1 12 12 ARG HD2 H 1 2.671 0.025 . 2 . . . A 12 ARG HD2 . 19433 1 99 . 1 1 12 12 ARG HD3 H 1 2.897 0.025 . 2 . . . A 12 ARG HD3 . 19433 1 100 . 1 1 12 12 ARG CA C 13 50.890 0.141 . 1 . . . A 12 ARG CA . 19433 1 101 . 1 1 12 12 ARG CB C 13 30.964 0.141 . 1 . . . A 12 ARG CB . 19433 1 102 . 1 1 12 12 ARG CG C 13 24.267 0.141 . 1 . . . A 12 ARG CG . 19433 1 103 . 1 1 12 12 ARG CD C 13 40.797 0.141 . 1 . . . A 12 ARG CD . 19433 1 104 . 1 1 12 12 ARG N N 15 125.922 0.102 . 1 . . . A 12 ARG N . 19433 1 105 . 1 1 13 13 LEU H H 1 8.828 0.025 . 1 . . . A 13 LEU H . 19433 1 106 . 1 1 13 13 LEU HA H 1 4.943 0.025 . 1 . . . A 13 LEU HA . 19433 1 107 . 1 1 13 13 LEU HB2 H 1 1.478 0.025 . 2 . . . A 13 LEU HB2 . 19433 1 108 . 1 1 13 13 LEU HB3 H 1 1.270 0.025 . 2 . . . A 13 LEU HB3 . 19433 1 109 . 1 1 13 13 LEU HG H 1 1.364 0.025 . 1 . . . A 13 LEU HG . 19433 1 110 . 1 1 13 13 LEU HD11 H 1 0.685 0.025 . 1 . . . A 13 LEU QD1 . 19433 1 111 . 1 1 13 13 LEU HD12 H 1 0.685 0.025 . 1 . . . A 13 LEU QD1 . 19433 1 112 . 1 1 13 13 LEU HD13 H 1 0.685 0.025 . 1 . . . A 13 LEU QD1 . 19433 1 113 . 1 1 13 13 LEU HD21 H 1 0.655 0.025 . 1 . . . A 13 LEU QD2 . 19433 1 114 . 1 1 13 13 LEU HD22 H 1 0.655 0.025 . 1 . . . A 13 LEU QD2 . 19433 1 115 . 1 1 13 13 LEU HD23 H 1 0.655 0.025 . 1 . . . A 13 LEU QD2 . 19433 1 116 . 1 1 13 13 LEU CA C 13 50.626 0.141 . 1 . . . A 13 LEU CA . 19433 1 117 . 1 1 13 13 LEU CB C 13 42.033 0.141 . 1 . . . A 13 LEU CB . 19433 1 118 . 1 1 13 13 LEU CG C 13 25.061 0.141 . 1 . . . A 13 LEU CG . 19433 1 119 . 1 1 13 13 LEU CD1 C 13 22.323 0.141 . 2 . . . A 13 LEU CD1 . 19433 1 120 . 1 1 13 13 LEU CD2 C 13 22.986 0.141 . 2 . . . A 13 LEU CD2 . 19433 1 121 . 1 1 13 13 LEU N N 15 126.771 0.102 . 1 . . . A 13 LEU N . 19433 1 122 . 1 1 14 14 ILE H H 1 8.847 0.025 . 1 . . . A 14 ILE H . 19433 1 123 . 1 1 14 14 ILE HA H 1 4.177 0.025 . 1 . . . A 14 ILE HA . 19433 1 124 . 1 1 14 14 ILE HB H 1 1.251 0.025 . 1 . . . A 14 ILE HB . 19433 1 125 . 1 1 14 14 ILE HG12 H 1 0.621 0.025 . 2 . . . A 14 ILE HG12 . 19433 1 126 . 1 1 14 14 ILE HG13 H 1 0.987 0.025 . 2 . . . A 14 ILE HG13 . 19433 1 127 . 1 1 14 14 ILE HG21 H 1 0.590 0.025 . 1 . . . A 14 ILE QG2 . 19433 1 128 . 1 1 14 14 ILE HG22 H 1 0.590 0.025 . 1 . . . A 14 ILE QG2 . 19433 1 129 . 1 1 14 14 ILE HG23 H 1 0.590 0.025 . 1 . . . A 14 ILE QG2 . 19433 1 130 . 1 1 14 14 ILE HD11 H 1 0.096 0.025 . 1 . . . A 14 ILE QD1 . 19433 1 131 . 1 1 14 14 ILE HD12 H 1 0.096 0.025 . 1 . . . A 14 ILE QD1 . 19433 1 132 . 1 1 14 14 ILE HD13 H 1 0.096 0.025 . 1 . . . A 14 ILE QD1 . 19433 1 133 . 1 1 14 14 ILE CA C 13 58.514 0.141 . 1 . . . A 14 ILE CA . 19433 1 134 . 1 1 14 14 ILE CB C 13 38.667 0.141 . 1 . . . A 14 ILE CB . 19433 1 135 . 1 1 14 14 ILE CG1 C 13 25.387 0.141 . 1 . . . A 14 ILE CG1 . 19433 1 136 . 1 1 14 14 ILE CG2 C 13 15.959 0.141 . 1 . . . A 14 ILE CG2 . 19433 1 137 . 1 1 14 14 ILE CD1 C 13 12.115 0.141 . 1 . . . A 14 ILE CD1 . 19433 1 138 . 1 1 14 14 ILE N N 15 123.438 0.102 . 1 . . . A 14 ILE N . 19433 1 139 . 1 1 15 15 ASN H H 1 8.446 0.025 . 1 . . . A 15 ASN H . 19433 1 140 . 1 1 15 15 ASN HA H 1 4.880 0.025 . 1 . . . A 15 ASN HA . 19433 1 141 . 1 1 15 15 ASN HB2 H 1 2.115 0.025 . 2 . . . A 15 ASN HB2 . 19433 1 142 . 1 1 15 15 ASN HB3 H 1 3.500 0.025 . 2 . . . A 15 ASN HB3 . 19433 1 143 . 1 1 15 15 ASN HD21 H 1 7.976 0.025 . 2 . . . A 15 ASN HD21 . 19433 1 144 . 1 1 15 15 ASN HD22 H 1 6.423 0.025 . 2 . . . A 15 ASN HD22 . 19433 1 145 . 1 1 15 15 ASN CA C 13 48.668 0.141 . 1 . . . A 15 ASN CA . 19433 1 146 . 1 1 15 15 ASN CB C 13 34.821 0.141 . 1 . . . A 15 ASN CB . 19433 1 147 . 1 1 15 15 ASN N N 15 123.130 0.102 . 1 . . . A 15 ASN N . 19433 1 148 . 1 1 15 15 ASN ND2 N 15 112.257 0.102 . 1 . . . A 15 ASN ND2 . 19433 1 149 . 1 1 16 16 GLN H H 1 9.063 0.025 . 1 . . . A 16 GLN H . 19433 1 150 . 1 1 16 16 GLN HA H 1 4.531 0.025 . 1 . . . A 16 GLN HA . 19433 1 151 . 1 1 16 16 GLN HB2 H 1 2.341 0.025 . 2 . . . A 16 GLN HB2 . 19433 1 152 . 1 1 16 16 GLN HB3 H 1 1.926 0.025 . 2 . . . A 16 GLN HB3 . 19433 1 153 . 1 1 16 16 GLN HG2 H 1 2.336 0.025 . 2 . . . A 16 GLN HG2 . 19433 1 154 . 1 1 16 16 GLN HG3 H 1 2.158 0.025 . 2 . . . A 16 GLN HG3 . 19433 1 155 . 1 1 16 16 GLN HE21 H 1 6.997 0.025 . 2 . . . A 16 GLN HE21 . 19433 1 156 . 1 1 16 16 GLN HE22 H 1 6.497 0.025 . 2 . . . A 16 GLN HE22 . 19433 1 157 . 1 1 16 16 GLN CA C 13 52.160 0.141 . 1 . . . A 16 GLN CA . 19433 1 158 . 1 1 16 16 GLN CB C 13 26.904 0.141 . 1 . . . A 16 GLN CB . 19433 1 159 . 1 1 16 16 GLN CG C 13 31.563 0.141 . 1 . . . A 16 GLN CG . 19433 1 160 . 1 1 16 16 GLN N N 15 125.061 0.102 . 1 . . . A 16 GLN N . 19433 1 161 . 1 1 16 16 GLN NE2 N 15 110.642 0.102 . 1 . . . A 16 GLN NE2 . 19433 1 162 . 1 1 17 17 THR H H 1 7.765 0.025 . 1 . . . A 17 THR H . 19433 1 163 . 1 1 17 17 THR HA H 1 4.415 0.025 . 1 . . . A 17 THR HA . 19433 1 164 . 1 1 17 17 THR HB H 1 3.441 0.025 . 1 . . . A 17 THR HB . 19433 1 165 . 1 1 17 17 THR HG21 H 1 0.783 0.025 . 1 . . . A 17 THR QG2 . 19433 1 166 . 1 1 17 17 THR HG22 H 1 0.783 0.025 . 1 . . . A 17 THR QG2 . 19433 1 167 . 1 1 17 17 THR HG23 H 1 0.783 0.025 . 1 . . . A 17 THR QG2 . 19433 1 168 . 1 1 17 17 THR CA C 13 58.240 0.141 . 1 . . . A 17 THR CA . 19433 1 169 . 1 1 17 17 THR CB C 13 67.913 0.141 . 1 . . . A 17 THR CB . 19433 1 170 . 1 1 17 17 THR CG2 C 13 18.405 0.141 . 1 . . . A 17 THR CG2 . 19433 1 171 . 1 1 17 17 THR N N 15 110.936 0.102 . 1 . . . A 17 THR N . 19433 1 172 . 1 1 18 18 TYR H H 1 6.950 0.025 . 1 . . . A 18 TYR H . 19433 1 173 . 1 1 18 18 TYR HA H 1 4.355 0.025 . 1 . . . A 18 TYR HA . 19433 1 174 . 1 1 18 18 TYR HB2 H 1 2.901 0.025 . 2 . . . A 18 TYR HB2 . 19433 1 175 . 1 1 18 18 TYR HB3 H 1 3.008 0.025 . 2 . . . A 18 TYR HB3 . 19433 1 176 . 1 1 18 18 TYR HD1 H 1 6.985 0.025 . 3 . . . A 18 TYR QD . 19433 1 177 . 1 1 18 18 TYR HD2 H 1 6.985 0.025 . 3 . . . A 18 TYR QD . 19433 1 178 . 1 1 18 18 TYR HE1 H 1 6.737 0.025 . 3 . . . A 18 TYR QE . 19433 1 179 . 1 1 18 18 TYR HE2 H 1 6.737 0.025 . 3 . . . A 18 TYR QE . 19433 1 180 . 1 1 18 18 TYR CA C 13 54.029 0.141 . 1 . . . A 18 TYR CA . 19433 1 181 . 1 1 18 18 TYR CB C 13 34.567 0.141 . 1 . . . A 18 TYR CB . 19433 1 182 . 1 1 18 18 TYR CD1 C 13 130.597 0.141 . 3 . . . A 18 TYR CD1 . 19433 1 183 . 1 1 18 18 TYR CD2 C 13 130.600 0.141 . 3 . . . A 18 TYR CD2 . 19433 1 184 . 1 1 18 18 TYR CE1 C 13 115.918 0.141 . 3 . . . A 18 TYR CE1 . 19433 1 185 . 1 1 18 18 TYR CE2 C 13 115.906 0.141 . 3 . . . A 18 TYR CE2 . 19433 1 186 . 1 1 18 18 TYR N N 15 112.380 0.102 . 1 . . . A 18 TYR N . 19433 1 187 . 1 1 19 19 PHE H H 1 8.014 0.025 . 1 . . . A 19 PHE H . 19433 1 188 . 1 1 19 19 PHE HA H 1 4.996 0.025 . 1 . . . A 19 PHE HA . 19433 1 189 . 1 1 19 19 PHE HB2 H 1 2.986 0.025 . 2 . . . A 19 PHE HB2 . 19433 1 190 . 1 1 19 19 PHE HB3 H 1 2.924 0.025 . 2 . . . A 19 PHE HB3 . 19433 1 191 . 1 1 19 19 PHE HD1 H 1 6.867 0.025 . 3 . . . A 19 PHE QD . 19433 1 192 . 1 1 19 19 PHE HD2 H 1 6.867 0.025 . 3 . . . A 19 PHE QD . 19433 1 193 . 1 1 19 19 PHE HE1 H 1 7.111 0.025 . 3 . . . A 19 PHE QE . 19433 1 194 . 1 1 19 19 PHE HE2 H 1 7.111 0.025 . 3 . . . A 19 PHE QE . 19433 1 195 . 1 1 19 19 PHE HZ H 1 7.178 0.025 . 1 . . . A 19 PHE HZ . 19433 1 196 . 1 1 19 19 PHE CA C 13 52.010 0.141 . 1 . . . A 19 PHE CA . 19433 1 197 . 1 1 19 19 PHE CB C 13 38.471 0.141 . 1 . . . A 19 PHE CB . 19433 1 198 . 1 1 19 19 PHE CD1 C 13 129.298 0.141 . 3 . . . A 19 PHE CD1 . 19433 1 199 . 1 1 19 19 PHE CD2 C 13 129.296 0.141 . 3 . . . A 19 PHE CD2 . 19433 1 200 . 1 1 19 19 PHE CE1 C 13 128.510 0.141 . 3 . . . A 19 PHE CE1 . 19433 1 201 . 1 1 19 19 PHE CE2 C 13 128.510 0.141 . 3 . . . A 19 PHE CE2 . 19433 1 202 . 1 1 19 19 PHE CZ C 13 126.856 0.141 . 1 . . . A 19 PHE CZ . 19433 1 203 . 1 1 19 19 PHE N N 15 119.710 0.102 . 1 . . . A 19 PHE N . 19433 1 204 . 1 1 20 20 ASN H H 1 8.724 0.025 . 1 . . . A 20 ASN H . 19433 1 205 . 1 1 20 20 ASN HA H 1 4.689 0.025 . 1 . . . A 20 ASN HA . 19433 1 206 . 1 1 20 20 ASN HB2 H 1 2.532 0.025 . 2 . . . A 20 ASN HB2 . 19433 1 207 . 1 1 20 20 ASN HB3 H 1 2.741 0.025 . 2 . . . A 20 ASN HB3 . 19433 1 208 . 1 1 20 20 ASN HD21 H 1 7.442 0.025 . 2 . . . A 20 ASN HD21 . 19433 1 209 . 1 1 20 20 ASN HD22 H 1 6.924 0.025 . 2 . . . A 20 ASN HD22 . 19433 1 210 . 1 1 20 20 ASN CA C 13 52.037 0.141 . 1 . . . A 20 ASN CA . 19433 1 211 . 1 1 20 20 ASN CB C 13 36.306 0.141 . 1 . . . A 20 ASN CB . 19433 1 212 . 1 1 20 20 ASN N N 15 117.921 0.102 . 1 . . . A 20 ASN N . 19433 1 213 . 1 1 20 20 ASN ND2 N 15 113.277 0.102 . 1 . . . A 20 ASN ND2 . 19433 1 214 . 1 1 21 21 VAL H H 1 8.186 0.025 . 1 . . . A 21 VAL H . 19433 1 215 . 1 1 21 21 VAL HA H 1 4.884 0.025 . 1 . . . A 21 VAL HA . 19433 1 216 . 1 1 21 21 VAL HB H 1 2.213 0.025 . 1 . . . A 21 VAL HB . 19433 1 217 . 1 1 21 21 VAL HG11 H 1 0.872 0.025 . 1 . . . A 21 VAL QG1 . 19433 1 218 . 1 1 21 21 VAL HG12 H 1 0.872 0.025 . 1 . . . A 21 VAL QG1 . 19433 1 219 . 1 1 21 21 VAL HG13 H 1 0.872 0.025 . 1 . . . A 21 VAL QG1 . 19433 1 220 . 1 1 21 21 VAL HG21 H 1 0.899 0.025 . 1 . . . A 21 VAL QG2 . 19433 1 221 . 1 1 21 21 VAL HG22 H 1 0.899 0.025 . 1 . . . A 21 VAL QG2 . 19433 1 222 . 1 1 21 21 VAL HG23 H 1 0.899 0.025 . 1 . . . A 21 VAL QG2 . 19433 1 223 . 1 1 21 21 VAL CA C 13 57.501 0.141 . 1 . . . A 21 VAL CA . 19433 1 224 . 1 1 21 21 VAL CB C 13 31.845 0.141 . 1 . . . A 21 VAL CB . 19433 1 225 . 1 1 21 21 VAL CG1 C 13 19.616 0.141 . 2 . . . A 21 VAL CG1 . 19433 1 226 . 1 1 21 21 VAL CG2 C 13 17.863 0.141 . 2 . . . A 21 VAL CG2 . 19433 1 227 . 1 1 21 21 VAL N N 15 115.311 0.102 . 1 . . . A 21 VAL N . 19433 1 228 . 1 1 22 22 LYS H H 1 9.331 0.025 . 1 . . . A 22 LYS H . 19433 1 229 . 1 1 22 22 LYS HA H 1 5.002 0.025 . 1 . . . A 22 LYS HA . 19433 1 230 . 1 1 22 22 LYS HB2 H 1 1.666 0.025 . 2 . . . A 22 LYS QB . 19433 1 231 . 1 1 22 22 LYS HB3 H 1 1.666 0.025 . 2 . . . A 22 LYS QB . 19433 1 232 . 1 1 22 22 LYS HG2 H 1 1.025 0.025 . 2 . . . A 22 LYS HG2 . 19433 1 233 . 1 1 22 22 LYS HG3 H 1 1.097 0.025 . 2 . . . A 22 LYS HG3 . 19433 1 234 . 1 1 22 22 LYS HD2 H 1 1.511 0.025 . 2 . . . A 22 LYS QD . 19433 1 235 . 1 1 22 22 LYS HD3 H 1 1.511 0.025 . 2 . . . A 22 LYS QD . 19433 1 236 . 1 1 22 22 LYS HE2 H 1 2.783 0.025 . 2 . . . A 22 LYS QE . 19433 1 237 . 1 1 22 22 LYS HE3 H 1 2.783 0.025 . 2 . . . A 22 LYS QE . 19433 1 238 . 1 1 22 22 LYS CA C 13 51.533 0.141 . 1 . . . A 22 LYS CA . 19433 1 239 . 1 1 22 22 LYS CB C 13 34.265 0.141 . 1 . . . A 22 LYS CB . 19433 1 240 . 1 1 22 22 LYS CG C 13 21.327 0.141 . 1 . . . A 22 LYS CG . 19433 1 241 . 1 1 22 22 LYS CD C 13 26.798 0.141 . 1 . . . A 22 LYS CD . 19433 1 242 . 1 1 22 22 LYS CE C 13 39.439 0.141 . 1 . . . A 22 LYS CE . 19433 1 243 . 1 1 22 22 LYS N N 15 119.772 0.102 . 1 . . . A 22 LYS N . 19433 1 244 . 1 1 23 23 ASN H H 1 8.573 0.025 . 1 . . . A 23 ASN H . 19433 1 245 . 1 1 23 23 ASN HA H 1 4.203 0.025 . 1 . . . A 23 ASN HA . 19433 1 246 . 1 1 23 23 ASN HB2 H 1 2.604 0.025 . 2 . . . A 23 ASN HB2 . 19433 1 247 . 1 1 23 23 ASN HB3 H 1 2.745 0.025 . 2 . . . A 23 ASN HB3 . 19433 1 248 . 1 1 23 23 ASN HD21 H 1 6.807 0.025 . 2 . . . A 23 ASN HD21 . 19433 1 249 . 1 1 23 23 ASN HD22 H 1 7.494 0.025 . 2 . . . A 23 ASN HD22 . 19433 1 250 . 1 1 23 23 ASN CA C 13 50.933 0.141 . 1 . . . A 23 ASN CA . 19433 1 251 . 1 1 23 23 ASN CB C 13 34.520 0.141 . 1 . . . A 23 ASN CB . 19433 1 252 . 1 1 23 23 ASN N N 15 116.781 0.102 . 1 . . . A 23 ASN N . 19433 1 253 . 1 1 23 23 ASN ND2 N 15 112.261 0.102 . 1 . . . A 23 ASN ND2 . 19433 1 254 . 1 1 24 24 ILE H H 1 8.329 0.025 . 1 . . . A 24 ILE H . 19433 1 255 . 1 1 24 24 ILE HA H 1 4.744 0.025 . 1 . . . A 24 ILE HA . 19433 1 256 . 1 1 24 24 ILE HB H 1 1.815 0.025 . 1 . . . A 24 ILE HB . 19433 1 257 . 1 1 24 24 ILE HG12 H 1 0.824 0.025 . 2 . . . A 24 ILE HG12 . 19433 1 258 . 1 1 24 24 ILE HG13 H 1 1.404 0.025 . 2 . . . A 24 ILE HG13 . 19433 1 259 . 1 1 24 24 ILE HG21 H 1 0.696 0.025 . 1 . . . A 24 ILE QG2 . 19433 1 260 . 1 1 24 24 ILE HG22 H 1 0.696 0.025 . 1 . . . A 24 ILE QG2 . 19433 1 261 . 1 1 24 24 ILE HG23 H 1 0.696 0.025 . 1 . . . A 24 ILE QG2 . 19433 1 262 . 1 1 24 24 ILE HD11 H 1 0.673 0.025 . 1 . . . A 24 ILE QD1 . 19433 1 263 . 1 1 24 24 ILE HD12 H 1 0.673 0.025 . 1 . . . A 24 ILE QD1 . 19433 1 264 . 1 1 24 24 ILE HD13 H 1 0.673 0.025 . 1 . . . A 24 ILE QD1 . 19433 1 265 . 1 1 24 24 ILE CA C 13 57.544 0.141 . 1 . . . A 24 ILE CA . 19433 1 266 . 1 1 24 24 ILE CB C 13 36.236 0.141 . 1 . . . A 24 ILE CB . 19433 1 267 . 1 1 24 24 ILE CG1 C 13 26.156 0.141 . 1 . . . A 24 ILE CG1 . 19433 1 268 . 1 1 24 24 ILE CG2 C 13 16.171 0.141 . 1 . . . A 24 ILE CG2 . 19433 1 269 . 1 1 24 24 ILE CD1 C 13 12.649 0.141 . 1 . . . A 24 ILE CD1 . 19433 1 270 . 1 1 24 24 ILE N N 15 118.303 0.102 . 1 . . . A 24 ILE N . 19433 1 271 . 1 1 25 25 LYS H H 1 9.102 0.025 . 1 . . . A 25 LYS H . 19433 1 272 . 1 1 25 25 LYS HA H 1 4.886 0.025 . 1 . . . A 25 LYS HA . 19433 1 273 . 1 1 25 25 LYS HB2 H 1 1.514 0.025 . 2 . . . A 25 LYS HB2 . 19433 1 274 . 1 1 25 25 LYS HB3 H 1 1.654 0.025 . 2 . . . A 25 LYS HB3 . 19433 1 275 . 1 1 25 25 LYS HG2 H 1 1.135 0.025 . 2 . . . A 25 LYS QG . 19433 1 276 . 1 1 25 25 LYS HG3 H 1 1.135 0.025 . 2 . . . A 25 LYS QG . 19433 1 277 . 1 1 25 25 LYS HD2 H 1 1.449 0.025 . 2 . . . A 25 LYS QD . 19433 1 278 . 1 1 25 25 LYS HD3 H 1 1.449 0.025 . 2 . . . A 25 LYS QD . 19433 1 279 . 1 1 25 25 LYS HE2 H 1 2.703 0.025 . 2 . . . A 25 LYS HE2 . 19433 1 280 . 1 1 25 25 LYS HE3 H 1 2.650 0.025 . 2 . . . A 25 LYS HE3 . 19433 1 281 . 1 1 25 25 LYS CA C 13 52.761 0.141 . 1 . . . A 25 LYS CA . 19433 1 282 . 1 1 25 25 LYS CB C 13 31.647 0.141 . 1 . . . A 25 LYS CB . 19433 1 283 . 1 1 25 25 LYS CG C 13 22.290 0.141 . 1 . . . A 25 LYS CG . 19433 1 284 . 1 1 25 25 LYS CD C 13 26.297 0.141 . 1 . . . A 25 LYS CD . 19433 1 285 . 1 1 25 25 LYS CE C 13 39.244 0.141 . 1 . . . A 25 LYS CE . 19433 1 286 . 1 1 25 25 LYS N N 15 129.189 0.102 . 1 . . . A 25 LYS N . 19433 1 287 . 1 1 26 26 VAL H H 1 9.057 0.025 . 1 . . . A 26 VAL H . 19433 1 288 . 1 1 26 26 VAL HA H 1 4.966 0.025 . 1 . . . A 26 VAL HA . 19433 1 289 . 1 1 26 26 VAL HB H 1 2.091 0.025 . 1 . . . A 26 VAL HB . 19433 1 290 . 1 1 26 26 VAL HG11 H 1 0.858 0.025 . 1 . . . A 26 VAL QG1 . 19433 1 291 . 1 1 26 26 VAL HG12 H 1 0.858 0.025 . 1 . . . A 26 VAL QG1 . 19433 1 292 . 1 1 26 26 VAL HG13 H 1 0.858 0.025 . 1 . . . A 26 VAL QG1 . 19433 1 293 . 1 1 26 26 VAL HG21 H 1 1.026 0.025 . 1 . . . A 26 VAL QG2 . 19433 1 294 . 1 1 26 26 VAL HG22 H 1 1.026 0.025 . 1 . . . A 26 VAL QG2 . 19433 1 295 . 1 1 26 26 VAL HG23 H 1 1.026 0.025 . 1 . . . A 26 VAL QG2 . 19433 1 296 . 1 1 26 26 VAL CA C 13 58.099 0.141 . 1 . . . A 26 VAL CA . 19433 1 297 . 1 1 26 26 VAL CB C 13 31.370 0.141 . 1 . . . A 26 VAL CB . 19433 1 298 . 1 1 26 26 VAL CG1 C 13 19.333 0.141 . 2 . . . A 26 VAL CG1 . 19433 1 299 . 1 1 26 26 VAL CG2 C 13 19.535 0.141 . 2 . . . A 26 VAL CG2 . 19433 1 300 . 1 1 26 26 VAL N N 15 129.283 0.102 . 1 . . . A 26 VAL N . 19433 1 301 . 1 1 27 27 THR H H 1 9.177 0.025 . 1 . . . A 27 THR H . 19433 1 302 . 1 1 27 27 THR HA H 1 5.542 0.025 . 1 . . . A 27 THR HA . 19433 1 303 . 1 1 27 27 THR HB H 1 4.119 0.025 . 1 . . . A 27 THR HB . 19433 1 304 . 1 1 27 27 THR HG21 H 1 1.091 0.025 . 1 . . . A 27 THR QG2 . 19433 1 305 . 1 1 27 27 THR HG22 H 1 1.091 0.025 . 1 . . . A 27 THR QG2 . 19433 1 306 . 1 1 27 27 THR HG23 H 1 1.091 0.025 . 1 . . . A 27 THR QG2 . 19433 1 307 . 1 1 27 27 THR CA C 13 56.977 0.141 . 1 . . . A 27 THR CA . 19433 1 308 . 1 1 27 27 THR CB C 13 68.220 0.141 . 1 . . . A 27 THR CB . 19433 1 309 . 1 1 27 27 THR CG2 C 13 19.269 0.141 . 1 . . . A 27 THR CG2 . 19433 1 310 . 1 1 27 27 THR N N 15 120.185 0.102 . 1 . . . A 27 THR N . 19433 1 311 . 1 1 28 28 TRP H H 1 8.787 0.025 . 1 . . . A 28 TRP H . 19433 1 312 . 1 1 28 28 TRP HA H 1 5.390 0.025 . 1 . . . A 28 TRP HA . 19433 1 313 . 1 1 28 28 TRP HB2 H 1 3.353 0.025 . 2 . . . A 28 TRP HB2 . 19433 1 314 . 1 1 28 28 TRP HB3 H 1 3.201 0.025 . 2 . . . A 28 TRP HB3 . 19433 1 315 . 1 1 28 28 TRP HD1 H 1 6.730 0.025 . 1 . . . A 28 TRP HD1 . 19433 1 316 . 1 1 28 28 TRP HE1 H 1 10.728 0.025 . 1 . . . A 28 TRP HE1 . 19433 1 317 . 1 1 28 28 TRP HE3 H 1 7.060 0.025 . 1 . . . A 28 TRP HE3 . 19433 1 318 . 1 1 28 28 TRP HZ2 H 1 7.358 0.025 . 1 . . . A 28 TRP HZ2 . 19433 1 319 . 1 1 28 28 TRP HZ3 H 1 6.731 0.025 . 1 . . . A 28 TRP HZ3 . 19433 1 320 . 1 1 28 28 TRP HH2 H 1 6.967 0.025 . 1 . . . A 28 TRP HH2 . 19433 1 321 . 1 1 28 28 TRP CA C 13 53.617 0.141 . 1 . . . A 28 TRP CA . 19433 1 322 . 1 1 28 28 TRP CB C 13 29.962 0.141 . 1 . . . A 28 TRP CB . 19433 1 323 . 1 1 28 28 TRP CD1 C 13 122.240 0.141 . 1 . . . A 28 TRP CD1 . 19433 1 324 . 1 1 28 28 TRP CE3 C 13 118.863 0.141 . 1 . . . A 28 TRP CE3 . 19433 1 325 . 1 1 28 28 TRP CZ2 C 13 111.759 0.141 . 1 . . . A 28 TRP CZ2 . 19433 1 326 . 1 1 28 28 TRP CZ3 C 13 118.835 0.141 . 1 . . . A 28 TRP CZ3 . 19433 1 327 . 1 1 28 28 TRP CH2 C 13 121.710 0.141 . 1 . . . A 28 TRP CH2 . 19433 1 328 . 1 1 28 28 TRP N N 15 123.046 0.102 . 1 . . . A 28 TRP N . 19433 1 329 . 1 1 28 28 TRP NE1 N 15 129.528 0.102 . 1 . . . A 28 TRP NE1 . 19433 1 330 . 1 1 29 29 ASN H H 1 8.193 0.025 . 1 . . . A 29 ASN H . 19433 1 331 . 1 1 29 29 ASN HA H 1 3.416 0.025 . 1 . . . A 29 ASN HA . 19433 1 332 . 1 1 29 29 ASN HB2 H 1 2.943 0.025 . 2 . . . A 29 ASN HB2 . 19433 1 333 . 1 1 29 29 ASN HB3 H 1 2.726 0.025 . 2 . . . A 29 ASN HB3 . 19433 1 334 . 1 1 29 29 ASN HD21 H 1 7.614 0.025 . 2 . . . A 29 ASN HD21 . 19433 1 335 . 1 1 29 29 ASN HD22 H 1 7.693 0.025 . 2 . . . A 29 ASN HD22 . 19433 1 336 . 1 1 29 29 ASN CA C 13 51.265 0.141 . 1 . . . A 29 ASN CA . 19433 1 337 . 1 1 29 29 ASN CB C 13 34.179 0.141 . 1 . . . A 29 ASN CB . 19433 1 338 . 1 1 29 29 ASN N N 15 116.792 0.102 . 1 . . . A 29 ASN N . 19433 1 339 . 1 1 29 29 ASN ND2 N 15 108.705 0.102 . 1 . . . A 29 ASN ND2 . 19433 1 340 . 1 1 30 30 ASP H H 1 8.937 0.025 . 1 . . . A 30 ASP H . 19433 1 341 . 1 1 30 30 ASP HA H 1 4.517 0.025 . 1 . . . A 30 ASP HA . 19433 1 342 . 1 1 30 30 ASP HB2 H 1 2.682 0.025 . 2 . . . A 30 ASP HB2 . 19433 1 343 . 1 1 30 30 ASP HB3 H 1 2.718 0.025 . 2 . . . A 30 ASP HB3 . 19433 1 344 . 1 1 30 30 ASP CA C 13 51.462 0.141 . 1 . . . A 30 ASP CA . 19433 1 345 . 1 1 30 30 ASP CB C 13 36.498 0.141 . 1 . . . A 30 ASP CB . 19433 1 346 . 1 1 30 30 ASP N N 15 118.710 0.102 . 1 . . . A 30 ASP N . 19433 1 347 . 1 1 31 31 GLY H H 1 7.594 0.025 . 1 . . . A 31 GLY H . 19433 1 348 . 1 1 31 31 GLY HA2 H 1 3.542 0.025 . 2 . . . A 31 GLY HA2 . 19433 1 349 . 1 1 31 31 GLY HA3 H 1 4.033 0.025 . 2 . . . A 31 GLY HA3 . 19433 1 350 . 1 1 31 31 GLY CA C 13 43.466 0.141 . 1 . . . A 31 GLY CA . 19433 1 351 . 1 1 31 31 GLY N N 15 106.542 0.102 . 1 . . . A 31 GLY N . 19433 1 352 . 1 1 32 32 LYS H H 1 7.510 0.025 . 1 . . . A 32 LYS H . 19433 1 353 . 1 1 32 32 LYS HA H 1 3.889 0.025 . 1 . . . A 32 LYS HA . 19433 1 354 . 1 1 32 32 LYS HB3 H 1 0.327 0.025 . 2 . . . A 32 LYS HB3 . 19433 1 355 . 1 1 32 32 LYS HG2 H 1 1.054 0.025 . 2 . . . A 32 LYS QG . 19433 1 356 . 1 1 32 32 LYS HG3 H 1 1.054 0.025 . 2 . . . A 32 LYS QG . 19433 1 357 . 1 1 32 32 LYS HD2 H 1 1.441 0.025 . 2 . . . A 32 LYS HD2 . 19433 1 358 . 1 1 32 32 LYS HD3 H 1 1.514 0.025 . 2 . . . A 32 LYS HD3 . 19433 1 359 . 1 1 32 32 LYS HE2 H 1 2.967 0.025 . 2 . . . A 32 LYS HE2 . 19433 1 360 . 1 1 32 32 LYS HE3 H 1 3.023 0.025 . 2 . . . A 32 LYS HE3 . 19433 1 361 . 1 1 32 32 LYS CA C 13 52.825 0.141 . 1 . . . A 32 LYS CA . 19433 1 362 . 1 1 32 32 LYS CB C 13 28.130 0.141 . 1 . . . A 32 LYS CB . 19433 1 363 . 1 1 32 32 LYS CG C 13 22.225 0.141 . 1 . . . A 32 LYS CG . 19433 1 364 . 1 1 32 32 LYS CD C 13 25.780 0.141 . 1 . . . A 32 LYS CD . 19433 1 365 . 1 1 32 32 LYS CE C 13 39.867 0.141 . 1 . . . A 32 LYS CE . 19433 1 366 . 1 1 32 32 LYS N N 15 121.904 0.102 . 1 . . . A 32 LYS N . 19433 1 367 . 1 1 33 33 GLU H H 1 7.843 0.025 . 1 . . . A 33 GLU H . 19433 1 368 . 1 1 33 33 GLU HA H 1 5.280 0.025 . 1 . . . A 33 GLU HA . 19433 1 369 . 1 1 33 33 GLU HB2 H 1 1.705 0.025 . 2 . . . A 33 GLU HB2 . 19433 1 370 . 1 1 33 33 GLU HB3 H 1 1.667 0.025 . 2 . . . A 33 GLU HB3 . 19433 1 371 . 1 1 33 33 GLU HG2 H 1 1.925 0.025 . 2 . . . A 33 GLU QG . 19433 1 372 . 1 1 33 33 GLU HG3 H 1 1.925 0.025 . 2 . . . A 33 GLU QG . 19433 1 373 . 1 1 33 33 GLU CA C 13 52.331 0.141 . 1 . . . A 33 GLU CA . 19433 1 374 . 1 1 33 33 GLU CB C 13 31.709 0.141 . 1 . . . A 33 GLU CB . 19433 1 375 . 1 1 33 33 GLU CG C 13 33.516 0.141 . 1 . . . A 33 GLU CG . 19433 1 376 . 1 1 33 33 GLU N N 15 119.124 0.102 . 1 . . . A 33 GLU N . 19433 1 377 . 1 1 34 34 GLN H H 1 9.114 0.025 . 1 . . . A 34 GLN H . 19433 1 378 . 1 1 34 34 GLN HA H 1 4.423 0.025 . 1 . . . A 34 GLN HA . 19433 1 379 . 1 1 34 34 GLN HB2 H 1 1.454 0.025 . 2 . . . A 34 GLN HB2 . 19433 1 380 . 1 1 34 34 GLN HB3 H 1 1.441 0.025 . 2 . . . A 34 GLN HB3 . 19433 1 381 . 1 1 34 34 GLN HG2 H 1 1.856 0.025 . 2 . . . A 34 GLN HG2 . 19433 1 382 . 1 1 34 34 GLN HG3 H 1 1.426 0.025 . 2 . . . A 34 GLN HG3 . 19433 1 383 . 1 1 34 34 GLN HE21 H 1 6.790 0.025 . 2 . . . A 34 GLN HE21 . 19433 1 384 . 1 1 34 34 GLN HE22 H 1 6.981 0.025 . 2 . . . A 34 GLN HE22 . 19433 1 385 . 1 1 34 34 GLN CA C 13 52.297 0.141 . 1 . . . A 34 GLN CA . 19433 1 386 . 1 1 34 34 GLN CB C 13 30.242 0.141 . 1 . . . A 34 GLN CB . 19433 1 387 . 1 1 34 34 GLN CG C 13 30.299 0.141 . 1 . . . A 34 GLN CG . 19433 1 388 . 1 1 34 34 GLN N N 15 123.230 0.102 . 1 . . . A 34 GLN N . 19433 1 389 . 1 1 34 34 GLN NE2 N 15 111.045 0.102 . 1 . . . A 34 GLN NE2 . 19433 1 390 . 1 1 35 35 THR H H 1 8.397 0.025 . 1 . . . A 35 THR H . 19433 1 391 . 1 1 35 35 THR HA H 1 5.241 0.025 . 1 . . . A 35 THR HA . 19433 1 392 . 1 1 35 35 THR HB H 1 3.908 0.025 . 1 . . . A 35 THR HB . 19433 1 393 . 1 1 35 35 THR HG21 H 1 0.939 0.025 . 1 . . . A 35 THR QG2 . 19433 1 394 . 1 1 35 35 THR HG22 H 1 0.939 0.025 . 1 . . . A 35 THR QG2 . 19433 1 395 . 1 1 35 35 THR HG23 H 1 0.939 0.025 . 1 . . . A 35 THR QG2 . 19433 1 396 . 1 1 35 35 THR CA C 13 58.075 0.141 . 1 . . . A 35 THR CA . 19433 1 397 . 1 1 35 35 THR CB C 13 67.936 0.141 . 1 . . . A 35 THR CB . 19433 1 398 . 1 1 35 35 THR CG2 C 13 18.704 0.141 . 1 . . . A 35 THR CG2 . 19433 1 399 . 1 1 35 35 THR N N 15 119.194 0.102 . 1 . . . A 35 THR N . 19433 1 400 . 1 1 36 36 VAL H H 1 8.976 0.025 . 1 . . . A 36 VAL H . 19433 1 401 . 1 1 36 36 VAL HA H 1 4.166 0.025 . 1 . . . A 36 VAL HA . 19433 1 402 . 1 1 36 36 VAL HB H 1 1.849 0.025 . 1 . . . A 36 VAL HB . 19433 1 403 . 1 1 36 36 VAL HG11 H 1 0.802 0.025 . 1 . . . A 36 VAL QG1 . 19433 1 404 . 1 1 36 36 VAL HG12 H 1 0.802 0.025 . 1 . . . A 36 VAL QG1 . 19433 1 405 . 1 1 36 36 VAL HG13 H 1 0.802 0.025 . 1 . . . A 36 VAL QG1 . 19433 1 406 . 1 1 36 36 VAL HG21 H 1 0.757 0.025 . 1 . . . A 36 VAL QG2 . 19433 1 407 . 1 1 36 36 VAL HG22 H 1 0.757 0.025 . 1 . . . A 36 VAL QG2 . 19433 1 408 . 1 1 36 36 VAL HG23 H 1 0.757 0.025 . 1 . . . A 36 VAL QG2 . 19433 1 409 . 1 1 36 36 VAL CA C 13 58.296 0.141 . 1 . . . A 36 VAL CA . 19433 1 410 . 1 1 36 36 VAL CB C 13 31.785 0.141 . 1 . . . A 36 VAL CB . 19433 1 411 . 1 1 36 36 VAL CG1 C 13 18.705 0.141 . 2 . . . A 36 VAL CG1 . 19433 1 412 . 1 1 36 36 VAL CG2 C 13 17.853 0.141 . 2 . . . A 36 VAL CG2 . 19433 1 413 . 1 1 36 36 VAL N N 15 126.317 0.102 . 1 . . . A 36 VAL N . 19433 1 414 . 1 1 37 37 ASN H H 1 8.974 0.025 . 1 . . . A 37 ASN H . 19433 1 415 . 1 1 37 37 ASN HA H 1 4.361 0.025 . 1 . . . A 37 ASN HA . 19433 1 416 . 1 1 37 37 ASN HB2 H 1 2.825 0.025 . 2 . . . A 37 ASN QB . 19433 1 417 . 1 1 37 37 ASN HB3 H 1 2.825 0.025 . 2 . . . A 37 ASN QB . 19433 1 418 . 1 1 37 37 ASN HD21 H 1 6.905 0.025 . 2 . . . A 37 ASN HD21 . 19433 1 419 . 1 1 37 37 ASN HD22 H 1 7.637 0.025 . 2 . . . A 37 ASN HD22 . 19433 1 420 . 1 1 37 37 ASN CA C 13 55.094 0.141 . 1 . . . A 37 ASN CA . 19433 1 421 . 1 1 37 37 ASN CB C 13 35.754 0.141 . 1 . . . A 37 ASN CB . 19433 1 422 . 1 1 37 37 ASN N N 15 126.536 0.102 . 1 . . . A 37 ASN N . 19433 1 423 . 1 1 37 37 ASN ND2 N 15 112.729 0.102 . 1 . . . A 37 ASN ND2 . 19433 1 424 . 1 1 38 38 THR H H 1 7.762 0.025 . 1 . . . A 38 THR H . 19433 1 425 . 1 1 38 38 THR HA H 1 4.850 0.025 . 1 . . . A 38 THR HA . 19433 1 426 . 1 1 38 38 THR HB H 1 3.918 0.025 . 1 . . . A 38 THR HB . 19433 1 427 . 1 1 38 38 THR HG21 H 1 1.039 0.025 . 1 . . . A 38 THR QG2 . 19433 1 428 . 1 1 38 38 THR HG22 H 1 1.039 0.025 . 1 . . . A 38 THR QG2 . 19433 1 429 . 1 1 38 38 THR HG23 H 1 1.039 0.025 . 1 . . . A 38 THR QG2 . 19433 1 430 . 1 1 38 38 THR CA C 13 58.536 0.141 . 1 . . . A 38 THR CA . 19433 1 431 . 1 1 38 38 THR CB C 13 69.085 0.141 . 1 . . . A 38 THR CB . 19433 1 432 . 1 1 38 38 THR CG2 C 13 18.571 0.141 . 1 . . . A 38 THR CG2 . 19433 1 433 . 1 1 38 38 THR N N 15 112.460 0.102 . 1 . . . A 38 THR N . 19433 1 434 . 1 1 39 39 LEU H H 1 8.572 0.025 . 1 . . . A 39 LEU H . 19433 1 435 . 1 1 39 39 LEU HA H 1 4.543 0.025 . 1 . . . A 39 LEU HA . 19433 1 436 . 1 1 39 39 LEU HB2 H 1 1.635 0.025 . 2 . . . A 39 LEU HB2 . 19433 1 437 . 1 1 39 39 LEU HB3 H 1 0.939 0.025 . 2 . . . A 39 LEU HB3 . 19433 1 438 . 1 1 39 39 LEU HG H 1 1.480 0.025 . 1 . . . A 39 LEU HG . 19433 1 439 . 1 1 39 39 LEU HD11 H 1 0.589 0.025 . 1 . . . A 39 LEU QD1 . 19433 1 440 . 1 1 39 39 LEU HD12 H 1 0.589 0.025 . 1 . . . A 39 LEU QD1 . 19433 1 441 . 1 1 39 39 LEU HD13 H 1 0.589 0.025 . 1 . . . A 39 LEU QD1 . 19433 1 442 . 1 1 39 39 LEU HD21 H 1 0.712 0.025 . 1 . . . A 39 LEU QD2 . 19433 1 443 . 1 1 39 39 LEU HD22 H 1 0.712 0.025 . 1 . . . A 39 LEU QD2 . 19433 1 444 . 1 1 39 39 LEU HD23 H 1 0.712 0.025 . 1 . . . A 39 LEU QD2 . 19433 1 445 . 1 1 39 39 LEU CA C 13 51.785 0.141 . 1 . . . A 39 LEU CA . 19433 1 446 . 1 1 39 39 LEU CB C 13 42.341 0.141 . 1 . . . A 39 LEU CB . 19433 1 447 . 1 1 39 39 LEU CG C 13 24.250 0.141 . 1 . . . A 39 LEU CG . 19433 1 448 . 1 1 39 39 LEU CD1 C 13 24.194 0.141 . 2 . . . A 39 LEU CD1 . 19433 1 449 . 1 1 39 39 LEU CD2 C 13 20.765 0.141 . 2 . . . A 39 LEU CD2 . 19433 1 450 . 1 1 39 39 LEU N N 15 126.316 0.102 . 1 . . . A 39 LEU N . 19433 1 451 . 1 1 40 40 GLY H H 1 9.303 0.025 . 1 . . . A 40 GLY H . 19433 1 452 . 1 1 40 40 GLY HA2 H 1 3.688 0.025 . 2 . . . A 40 GLY HA2 . 19433 1 453 . 1 1 40 40 GLY HA3 H 1 4.239 0.025 . 2 . . . A 40 GLY HA3 . 19433 1 454 . 1 1 40 40 GLY CA C 13 42.265 0.141 . 1 . . . A 40 GLY CA . 19433 1 455 . 1 1 40 40 GLY N N 15 116.669 0.102 . 1 . . . A 40 GLY N . 19433 1 456 . 1 1 41 41 SER H H 1 7.883 0.025 . 1 . . . A 41 SER H . 19433 1 457 . 1 1 41 41 SER HA H 1 3.612 0.025 . 1 . . . A 41 SER HA . 19433 1 458 . 1 1 41 41 SER HB2 H 1 3.306 0.025 . 2 . . . A 41 SER QB . 19433 1 459 . 1 1 41 41 SER HB3 H 1 3.306 0.025 . 2 . . . A 41 SER QB . 19433 1 460 . 1 1 41 41 SER CA C 13 56.211 0.141 . 1 . . . A 41 SER CA . 19433 1 461 . 1 1 41 41 SER CB C 13 60.482 0.141 . 1 . . . A 41 SER CB . 19433 1 462 . 1 1 41 41 SER N N 15 113.384 0.102 . 1 . . . A 41 SER N . 19433 1 463 . 1 1 42 42 HIS H H 1 7.882 0.025 . 1 . . . A 42 HIS H . 19433 1 464 . 1 1 42 42 HIS HA H 1 4.432 0.025 . 1 . . . A 42 HIS HA . 19433 1 465 . 1 1 42 42 HIS HB2 H 1 3.342 0.025 . 2 . . . A 42 HIS QB . 19433 1 466 . 1 1 42 42 HIS HB3 H 1 3.342 0.025 . 2 . . . A 42 HIS QB . 19433 1 467 . 1 1 42 42 HIS HD2 H 1 7.003 0.025 . 1 . . . A 42 HIS HD2 . 19433 1 468 . 1 1 42 42 HIS HE1 H 1 7.894 0.025 . 1 . . . A 42 HIS HE1 . 19433 1 469 . 1 1 42 42 HIS CA C 13 55.004 0.141 . 1 . . . A 42 HIS CA . 19433 1 470 . 1 1 42 42 HIS CB C 13 23.445 0.141 . 1 . . . A 42 HIS CB . 19433 1 471 . 1 1 42 42 HIS CD2 C 13 116.437 0.141 . 1 . . . A 42 HIS CD2 . 19433 1 472 . 1 1 42 42 HIS CE1 C 13 132.661 0.141 . 1 . . . A 42 HIS CE1 . 19433 1 473 . 1 1 42 42 HIS N N 15 120.045 0.102 . 1 . . . A 42 HIS N . 19433 1 474 . 1 1 43 43 ASP H H 1 7.906 0.025 . 1 . . . A 43 ASP H . 19433 1 475 . 1 1 43 43 ASP HA H 1 5.037 0.025 . 1 . . . A 43 ASP HA . 19433 1 476 . 1 1 43 43 ASP HB2 H 1 2.629 0.025 . 2 . . . A 43 ASP HB2 . 19433 1 477 . 1 1 43 43 ASP HB3 H 1 2.527 0.025 . 2 . . . A 43 ASP HB3 . 19433 1 478 . 1 1 43 43 ASP CA C 13 50.078 0.141 . 1 . . . A 43 ASP CA . 19433 1 479 . 1 1 43 43 ASP CB C 13 40.709 0.141 . 1 . . . A 43 ASP CB . 19433 1 480 . 1 1 43 43 ASP N N 15 119.308 0.102 . 1 . . . A 43 ASP N . 19433 1 481 . 1 1 44 44 SER H H 1 8.396 0.025 . 1 . . . A 44 SER H . 19433 1 482 . 1 1 44 44 SER HA H 1 5.617 0.025 . 1 . . . A 44 SER HA . 19433 1 483 . 1 1 44 44 SER HB2 H 1 3.521 0.025 . 2 . . . A 44 SER HB2 . 19433 1 484 . 1 1 44 44 SER HB3 H 1 3.558 0.025 . 2 . . . A 44 SER HB3 . 19433 1 485 . 1 1 44 44 SER CA C 13 53.597 0.141 . 1 . . . A 44 SER CA . 19433 1 486 . 1 1 44 44 SER CB C 13 65.207 0.141 . 1 . . . A 44 SER CB . 19433 1 487 . 1 1 44 44 SER N N 15 111.544 0.102 . 1 . . . A 44 SER N . 19433 1 488 . 1 1 45 45 ILE H H 1 8.726 0.025 . 1 . . . A 45 ILE H . 19433 1 489 . 1 1 45 45 ILE HA H 1 4.510 0.025 . 1 . . . A 45 ILE HA . 19433 1 490 . 1 1 45 45 ILE HB H 1 1.728 0.025 . 1 . . . A 45 ILE HB . 19433 1 491 . 1 1 45 45 ILE HG12 H 1 1.562 0.025 . 2 . . . A 45 ILE HG12 . 19433 1 492 . 1 1 45 45 ILE HG13 H 1 1.131 0.025 . 2 . . . A 45 ILE HG13 . 19433 1 493 . 1 1 45 45 ILE HG21 H 1 0.902 0.025 . 1 . . . A 45 ILE QG2 . 19433 1 494 . 1 1 45 45 ILE HG22 H 1 0.902 0.025 . 1 . . . A 45 ILE QG2 . 19433 1 495 . 1 1 45 45 ILE HG23 H 1 0.902 0.025 . 1 . . . A 45 ILE QG2 . 19433 1 496 . 1 1 45 45 ILE HD11 H 1 0.972 0.025 . 1 . . . A 45 ILE QD1 . 19433 1 497 . 1 1 45 45 ILE HD12 H 1 0.972 0.025 . 1 . . . A 45 ILE QD1 . 19433 1 498 . 1 1 45 45 ILE HD13 H 1 0.972 0.025 . 1 . . . A 45 ILE QD1 . 19433 1 499 . 1 1 45 45 ILE CA C 13 57.040 0.141 . 1 . . . A 45 ILE CA . 19433 1 500 . 1 1 45 45 ILE CB C 13 39.246 0.141 . 1 . . . A 45 ILE CB . 19433 1 501 . 1 1 45 45 ILE CG1 C 13 26.294 0.141 . 1 . . . A 45 ILE CG1 . 19433 1 502 . 1 1 45 45 ILE CG2 C 13 15.053 0.141 . 1 . . . A 45 ILE CG2 . 19433 1 503 . 1 1 45 45 ILE CD1 C 13 12.098 0.141 . 1 . . . A 45 ILE CD1 . 19433 1 504 . 1 1 45 45 ILE N N 15 119.898 0.102 . 1 . . . A 45 ILE N . 19433 1 505 . 1 1 46 46 ASP H H 1 7.891 0.025 . 1 . . . A 46 ASP H . 19433 1 506 . 1 1 46 46 ASP HA H 1 5.521 0.025 . 1 . . . A 46 ASP HA . 19433 1 507 . 1 1 46 46 ASP HB2 H 1 2.336 0.025 . 2 . . . A 46 ASP HB2 . 19433 1 508 . 1 1 46 46 ASP HB3 H 1 2.172 0.025 . 2 . . . A 46 ASP HB3 . 19433 1 509 . 1 1 46 46 ASP CA C 13 49.373 0.141 . 1 . . . A 46 ASP CA . 19433 1 510 . 1 1 46 46 ASP CB C 13 40.812 0.141 . 1 . . . A 46 ASP CB . 19433 1 511 . 1 1 46 46 ASP N N 15 123.866 0.102 . 1 . . . A 46 ASP N . 19433 1 512 . 1 1 47 47 PHE H H 1 8.654 0.025 . 1 . . . A 47 PHE H . 19433 1 513 . 1 1 47 47 PHE HA H 1 4.773 0.025 . 1 . . . A 47 PHE HA . 19433 1 514 . 1 1 47 47 PHE HB2 H 1 2.927 0.025 . 2 . . . A 47 PHE HB2 . 19433 1 515 . 1 1 47 47 PHE HB3 H 1 3.163 0.025 . 2 . . . A 47 PHE HB3 . 19433 1 516 . 1 1 47 47 PHE HD1 H 1 6.762 0.025 . 3 . . . A 47 PHE QD . 19433 1 517 . 1 1 47 47 PHE HD2 H 1 6.762 0.025 . 3 . . . A 47 PHE QD . 19433 1 518 . 1 1 47 47 PHE HE1 H 1 6.617 0.025 . 3 . . . A 47 PHE QE . 19433 1 519 . 1 1 47 47 PHE HE2 H 1 6.617 0.025 . 3 . . . A 47 PHE QE . 19433 1 520 . 1 1 47 47 PHE HZ H 1 6.583 0.025 . 1 . . . A 47 PHE HZ . 19433 1 521 . 1 1 47 47 PHE CA C 13 53.088 0.141 . 1 . . . A 47 PHE CA . 19433 1 522 . 1 1 47 47 PHE CB C 13 37.740 0.141 . 1 . . . A 47 PHE CB . 19433 1 523 . 1 1 47 47 PHE CD1 C 13 129.915 0.141 . 3 . . . A 47 PHE CD1 . 19433 1 524 . 1 1 47 47 PHE CD2 C 13 129.920 0.141 . 3 . . . A 47 PHE CD2 . 19433 1 525 . 1 1 47 47 PHE CE1 C 13 127.663 0.141 . 3 . . . A 47 PHE CE1 . 19433 1 526 . 1 1 47 47 PHE CE2 C 13 127.663 0.141 . 3 . . . A 47 PHE CE2 . 19433 1 527 . 1 1 47 47 PHE CZ C 13 124.774 0.141 . 1 . . . A 47 PHE CZ . 19433 1 528 . 1 1 47 47 PHE N N 15 116.649 0.102 . 1 . . . A 47 PHE N . 19433 1 529 . 1 1 48 48 SER H H 1 8.667 0.025 . 1 . . . A 48 SER H . 19433 1 530 . 1 1 48 48 SER HA H 1 4.729 0.025 . 1 . . . A 48 SER HA . 19433 1 531 . 1 1 48 48 SER HB2 H 1 3.826 0.025 . 2 . . . A 48 SER HB2 . 19433 1 532 . 1 1 48 48 SER HB3 H 1 3.858 0.025 . 2 . . . A 48 SER HB3 . 19433 1 533 . 1 1 48 48 SER CB C 13 61.957 0.141 . 1 . . . A 48 SER CB . 19433 1 534 . 1 1 48 48 SER N N 15 114.033 0.102 . 1 . . . A 48 SER N . 19433 1 535 . 1 1 49 49 SER H H 1 8.644 0.025 . 1 . . . A 49 SER H . 19433 1 536 . 1 1 49 49 SER HA H 1 4.357 0.025 . 1 . . . A 49 SER HA . 19433 1 537 . 1 1 49 49 SER HB2 H 1 3.507 0.025 . 2 . . . A 49 SER HB2 . 19433 1 538 . 1 1 49 49 SER HB3 H 1 3.064 0.025 . 2 . . . A 49 SER HB3 . 19433 1 539 . 1 1 49 49 SER CA C 13 55.003 0.141 . 1 . . . A 49 SER CA . 19433 1 540 . 1 1 49 49 SER CB C 13 61.708 0.141 . 1 . . . A 49 SER CB . 19433 1 541 . 1 1 49 49 SER N N 15 119.169 0.102 . 1 . . . A 49 SER N . 19433 1 542 . 1 1 50 50 ASP H H 1 8.743 0.025 . 1 . . . A 50 ASP H . 19433 1 543 . 1 1 50 50 ASP HA H 1 4.445 0.025 . 1 . . . A 50 ASP HA . 19433 1 544 . 1 1 50 50 ASP HB2 H 1 2.722 0.025 . 2 . . . A 50 ASP HB2 . 19433 1 545 . 1 1 50 50 ASP HB3 H 1 2.959 0.025 . 2 . . . A 50 ASP HB3 . 19433 1 546 . 1 1 50 50 ASP CA C 13 52.432 0.141 . 1 . . . A 50 ASP CA . 19433 1 547 . 1 1 50 50 ASP CB C 13 38.122 0.141 . 1 . . . A 50 ASP CB . 19433 1 548 . 1 1 50 50 ASP N N 15 120.389 0.102 . 1 . . . A 50 ASP N . 19433 1 549 . 1 1 51 51 ALA H H 1 8.178 0.025 . 1 . . . A 51 ALA H . 19433 1 550 . 1 1 51 51 ALA HA H 1 4.626 0.025 . 1 . . . A 51 ALA HA . 19433 1 551 . 1 1 51 51 ALA HB1 H 1 1.385 0.025 . 1 . . . A 51 ALA QB . 19433 1 552 . 1 1 51 51 ALA HB2 H 1 1.385 0.025 . 1 . . . A 51 ALA QB . 19433 1 553 . 1 1 51 51 ALA HB3 H 1 1.385 0.025 . 1 . . . A 51 ALA QB . 19433 1 554 . 1 1 51 51 ALA CA C 13 48.702 0.141 . 1 . . . A 51 ALA CA . 19433 1 555 . 1 1 51 51 ALA CB C 13 19.196 0.141 . 1 . . . A 51 ALA CB . 19433 1 556 . 1 1 51 51 ALA N N 15 120.149 0.102 . 1 . . . A 51 ALA N . 19433 1 557 . 1 1 52 52 GLY H H 1 8.465 0.025 . 1 . . . A 52 GLY H . 19433 1 558 . 1 1 52 52 GLY HA2 H 1 3.946 0.025 . 2 . . . A 52 GLY HA2 . 19433 1 559 . 1 1 52 52 GLY HA3 H 1 3.889 0.025 . 2 . . . A 52 GLY HA3 . 19433 1 560 . 1 1 52 52 GLY CA C 13 42.867 0.141 . 1 . . . A 52 GLY CA . 19433 1 561 . 1 1 52 52 GLY N N 15 106.575 0.102 . 1 . . . A 52 GLY N . 19433 1 562 . 1 1 53 53 SER H H 1 7.606 0.025 . 1 . . . A 53 SER H . 19433 1 563 . 1 1 53 53 SER HA H 1 4.371 0.025 . 1 . . . A 53 SER HA . 19433 1 564 . 1 1 53 53 SER HB2 H 1 3.806 0.025 . 2 . . . A 53 SER HB2 . 19433 1 565 . 1 1 53 53 SER HB3 H 1 3.769 0.025 . 2 . . . A 53 SER HB3 . 19433 1 566 . 1 1 53 53 SER CA C 13 55.270 0.141 . 1 . . . A 53 SER CA . 19433 1 567 . 1 1 53 53 SER CB C 13 61.515 0.141 . 1 . . . A 53 SER CB . 19433 1 568 . 1 1 53 53 SER N N 15 111.247 0.102 . 1 . . . A 53 SER N . 19433 1 569 . 1 1 54 54 VAL H H 1 8.587 0.025 . 1 . . . A 54 VAL H . 19433 1 570 . 1 1 54 54 VAL HA H 1 4.306 0.025 . 1 . . . A 54 VAL HA . 19433 1 571 . 1 1 54 54 VAL HB H 1 1.765 0.025 . 1 . . . A 54 VAL HB . 19433 1 572 . 1 1 54 54 VAL HG11 H 1 0.444 0.025 . 1 . . . A 54 VAL QG1 . 19433 1 573 . 1 1 54 54 VAL HG12 H 1 0.444 0.025 . 1 . . . A 54 VAL QG1 . 19433 1 574 . 1 1 54 54 VAL HG13 H 1 0.444 0.025 . 1 . . . A 54 VAL QG1 . 19433 1 575 . 1 1 54 54 VAL HG21 H 1 0.637 0.025 . 1 . . . A 54 VAL QG2 . 19433 1 576 . 1 1 54 54 VAL HG22 H 1 0.637 0.025 . 1 . . . A 54 VAL QG2 . 19433 1 577 . 1 1 54 54 VAL HG23 H 1 0.637 0.025 . 1 . . . A 54 VAL QG2 . 19433 1 578 . 1 1 54 54 VAL CA C 13 59.775 0.141 . 1 . . . A 54 VAL CA . 19433 1 579 . 1 1 54 54 VAL CB C 13 29.693 0.141 . 1 . . . A 54 VAL CB . 19433 1 580 . 1 1 54 54 VAL CG1 C 13 19.260 0.141 . 2 . . . A 54 VAL CG1 . 19433 1 581 . 1 1 54 54 VAL CG2 C 13 19.418 0.141 . 2 . . . A 54 VAL CG2 . 19433 1 582 . 1 1 54 54 VAL N N 15 124.481 0.102 . 1 . . . A 54 VAL N . 19433 1 583 . 1 1 55 55 TYR H H 1 8.586 0.025 . 1 . . . A 55 TYR H . 19433 1 584 . 1 1 55 55 TYR HA H 1 5.181 0.025 . 1 . . . A 55 TYR HA . 19433 1 585 . 1 1 55 55 TYR HB2 H 1 3.288 0.025 . 2 . . . A 55 TYR HB2 . 19433 1 586 . 1 1 55 55 TYR HB3 H 1 2.830 0.025 . 2 . . . A 55 TYR HB3 . 19433 1 587 . 1 1 55 55 TYR HD1 H 1 6.994 0.025 . 3 . . . A 55 TYR QD . 19433 1 588 . 1 1 55 55 TYR HD2 H 1 6.994 0.025 . 3 . . . A 55 TYR QD . 19433 1 589 . 1 1 55 55 TYR HE1 H 1 6.769 0.025 . 3 . . . A 55 TYR QE . 19433 1 590 . 1 1 55 55 TYR HE2 H 1 6.769 0.025 . 3 . . . A 55 TYR QE . 19433 1 591 . 1 1 55 55 TYR CA C 13 53.682 0.141 . 1 . . . A 55 TYR CA . 19433 1 592 . 1 1 55 55 TYR CB C 13 36.877 0.141 . 1 . . . A 55 TYR CB . 19433 1 593 . 1 1 55 55 TYR CD1 C 13 131.869 0.141 . 3 . . . A 55 TYR CD1 . 19433 1 594 . 1 1 55 55 TYR CD2 C 13 131.869 0.141 . 3 . . . A 55 TYR CD2 . 19433 1 595 . 1 1 55 55 TYR CE1 C 13 115.002 0.141 . 3 . . . A 55 TYR CE1 . 19433 1 596 . 1 1 55 55 TYR CE2 C 13 114.998 0.141 . 3 . . . A 55 TYR CE2 . 19433 1 597 . 1 1 55 55 TYR N N 15 122.616 0.102 . 1 . . . A 55 TYR N . 19433 1 598 . 1 1 56 56 LYS H H 1 7.276 0.025 . 1 . . . A 56 LYS H . 19433 1 599 . 1 1 56 56 LYS HA H 1 4.756 0.025 . 1 . . . A 56 LYS HA . 19433 1 600 . 1 1 56 56 LYS HB2 H 1 1.842 0.025 . 2 . . . A 56 LYS HB2 . 19433 1 601 . 1 1 56 56 LYS HB3 H 1 2.117 0.025 . 2 . . . A 56 LYS HB3 . 19433 1 602 . 1 1 56 56 LYS HG2 H 1 1.426 0.025 . 2 . . . A 56 LYS HG2 . 19433 1 603 . 1 1 56 56 LYS HG3 H 1 1.336 0.025 . 2 . . . A 56 LYS HG3 . 19433 1 604 . 1 1 56 56 LYS HD2 H 1 1.734 0.025 . 2 . . . A 56 LYS HD2 . 19433 1 605 . 1 1 56 56 LYS HD3 H 1 1.802 0.025 . 2 . . . A 56 LYS HD3 . 19433 1 606 . 1 1 56 56 LYS HE2 H 1 3.020 0.025 . 2 . . . A 56 LYS QE . 19433 1 607 . 1 1 56 56 LYS HE3 H 1 3.020 0.025 . 2 . . . A 56 LYS QE . 19433 1 608 . 1 1 56 56 LYS CA C 13 53.406 0.141 . 1 . . . A 56 LYS CA . 19433 1 609 . 1 1 56 56 LYS CB C 13 32.473 0.141 . 1 . . . A 56 LYS CB . 19433 1 610 . 1 1 56 56 LYS CG C 13 20.815 0.141 . 1 . . . A 56 LYS CG . 19433 1 611 . 1 1 56 56 LYS CD C 13 27.171 0.141 . 1 . . . A 56 LYS CD . 19433 1 612 . 1 1 56 56 LYS CE C 13 39.411 0.141 . 1 . . . A 56 LYS CE . 19433 1 613 . 1 1 56 56 LYS N N 15 121.197 0.102 . 1 . . . A 56 LYS N . 19433 1 614 . 1 1 57 57 MET H H 1 8.637 0.025 . 1 . . . A 57 MET H . 19433 1 615 . 1 1 57 57 MET HA H 1 5.440 0.025 . 1 . . . A 57 MET HA . 19433 1 616 . 1 1 57 57 MET HB2 H 1 1.915 0.025 . 2 . . . A 57 MET HB2 . 19433 1 617 . 1 1 57 57 MET HB3 H 1 1.574 0.025 . 2 . . . A 57 MET HB3 . 19433 1 618 . 1 1 57 57 MET HG2 H 1 2.379 0.025 . 2 . . . A 57 MET HG2 . 19433 1 619 . 1 1 57 57 MET HG3 H 1 2.098 0.025 . 2 . . . A 57 MET HG3 . 19433 1 620 . 1 1 57 57 MET HE1 H 1 1.408 0.025 . 1 . . . A 57 MET QE . 19433 1 621 . 1 1 57 57 MET HE2 H 1 1.408 0.025 . 1 . . . A 57 MET QE . 19433 1 622 . 1 1 57 57 MET HE3 H 1 1.408 0.025 . 1 . . . A 57 MET QE . 19433 1 623 . 1 1 57 57 MET CA C 13 52.893 0.141 . 1 . . . A 57 MET CA . 19433 1 624 . 1 1 57 57 MET CB C 13 35.646 0.141 . 1 . . . A 57 MET CB . 19433 1 625 . 1 1 57 57 MET CG C 13 29.200 0.141 . 1 . . . A 57 MET CG . 19433 1 626 . 1 1 57 57 MET CE C 13 14.810 0.141 . 1 . . . A 57 MET CE . 19433 1 627 . 1 1 57 57 MET N N 15 122.040 0.102 . 1 . . . A 57 MET N . 19433 1 628 . 1 1 58 58 ASP H H 1 9.367 0.025 . 1 . . . A 58 ASP H . 19433 1 629 . 1 1 58 58 ASP HA H 1 5.740 0.025 . 1 . . . A 58 ASP HA . 19433 1 630 . 1 1 58 58 ASP HB2 H 1 2.653 0.025 . 2 . . . A 58 ASP QB . 19433 1 631 . 1 1 58 58 ASP HB3 H 1 2.653 0.025 . 2 . . . A 58 ASP QB . 19433 1 632 . 1 1 58 58 ASP CA C 13 50.784 0.141 . 1 . . . A 58 ASP CA . 19433 1 633 . 1 1 58 58 ASP CB C 13 42.339 0.141 . 1 . . . A 58 ASP CB . 19433 1 634 . 1 1 58 58 ASP N N 15 125.086 0.102 . 1 . . . A 58 ASP N . 19433 1 635 . 1 1 59 59 VAL H H 1 8.890 0.025 . 1 . . . A 59 VAL H . 19433 1 636 . 1 1 59 59 VAL HA H 1 5.058 0.025 . 1 . . . A 59 VAL HA . 19433 1 637 . 1 1 59 59 VAL HB H 1 1.833 0.025 . 1 . . . A 59 VAL HB . 19433 1 638 . 1 1 59 59 VAL HG11 H 1 0.799 0.025 . 1 . . . A 59 VAL QG1 . 19433 1 639 . 1 1 59 59 VAL HG12 H 1 0.799 0.025 . 1 . . . A 59 VAL QG1 . 19433 1 640 . 1 1 59 59 VAL HG13 H 1 0.799 0.025 . 1 . . . A 59 VAL QG1 . 19433 1 641 . 1 1 59 59 VAL HG21 H 1 0.935 0.025 . 1 . . . A 59 VAL QG2 . 19433 1 642 . 1 1 59 59 VAL HG22 H 1 0.935 0.025 . 1 . . . A 59 VAL QG2 . 19433 1 643 . 1 1 59 59 VAL HG23 H 1 0.935 0.025 . 1 . . . A 59 VAL QG2 . 19433 1 644 . 1 1 59 59 VAL CA C 13 58.103 0.141 . 1 . . . A 59 VAL CA . 19433 1 645 . 1 1 59 59 VAL CB C 13 33.782 0.141 . 1 . . . A 59 VAL CB . 19433 1 646 . 1 1 59 59 VAL CG1 C 13 18.472 0.141 . 2 . . . A 59 VAL CG1 . 19433 1 647 . 1 1 59 59 VAL CG2 C 13 19.095 0.141 . 2 . . . A 59 VAL CG2 . 19433 1 648 . 1 1 59 59 VAL N N 15 120.817 0.102 . 1 . . . A 59 VAL N . 19433 1 649 . 1 1 60 60 THR H H 1 8.578 0.025 . 1 . . . A 60 THR H . 19433 1 650 . 1 1 60 60 THR HA H 1 5.125 0.025 . 1 . . . A 60 THR HA . 19433 1 651 . 1 1 60 60 THR HB H 1 4.065 0.025 . 1 . . . A 60 THR HB . 19433 1 652 . 1 1 60 60 THR HG21 H 1 1.141 0.025 . 1 . . . A 60 THR QG2 . 19433 1 653 . 1 1 60 60 THR HG22 H 1 1.141 0.025 . 1 . . . A 60 THR QG2 . 19433 1 654 . 1 1 60 60 THR HG23 H 1 1.141 0.025 . 1 . . . A 60 THR QG2 . 19433 1 655 . 1 1 60 60 THR CA C 13 56.923 0.141 . 1 . . . A 60 THR CA . 19433 1 656 . 1 1 60 60 THR CB C 13 68.946 0.141 . 1 . . . A 60 THR CB . 19433 1 657 . 1 1 60 60 THR CG2 C 13 18.421 0.141 . 1 . . . A 60 THR CG2 . 19433 1 658 . 1 1 60 60 THR N N 15 120.028 0.102 . 1 . . . A 60 THR N . 19433 1 659 . 1 1 61 61 GLY H H 1 7.330 0.025 . 1 . . . A 61 GLY H . 19433 1 660 . 1 1 61 61 GLY HA2 H 1 2.997 0.025 . 2 . . . A 61 GLY HA2 . 19433 1 661 . 1 1 61 61 GLY HA3 H 1 4.164 0.025 . 2 . . . A 61 GLY HA3 . 19433 1 662 . 1 1 61 61 GLY CA C 13 43.194 0.141 . 1 . . . A 61 GLY CA . 19433 1 663 . 1 1 61 61 GLY N N 15 108.812 0.102 . 1 . . . A 61 GLY N . 19433 1 664 . 1 1 62 62 THR H H 1 8.013 0.025 . 1 . . . A 62 THR H . 19433 1 665 . 1 1 62 62 THR HA H 1 5.333 0.025 . 1 . . . A 62 THR HA . 19433 1 666 . 1 1 62 62 THR HB H 1 3.693 0.025 . 1 . . . A 62 THR HB . 19433 1 667 . 1 1 62 62 THR HG21 H 1 1.114 0.025 . 1 . . . A 62 THR QG2 . 19433 1 668 . 1 1 62 62 THR HG22 H 1 1.114 0.025 . 1 . . . A 62 THR QG2 . 19433 1 669 . 1 1 62 62 THR HG23 H 1 1.114 0.025 . 1 . . . A 62 THR QG2 . 19433 1 670 . 1 1 62 62 THR CA C 13 57.514 0.141 . 1 . . . A 62 THR CA . 19433 1 671 . 1 1 62 62 THR CB C 13 69.348 0.141 . 1 . . . A 62 THR CB . 19433 1 672 . 1 1 62 62 THR CG2 C 13 18.697 0.141 . 1 . . . A 62 THR CG2 . 19433 1 673 . 1 1 62 62 THR N N 15 111.342 0.102 . 1 . . . A 62 THR N . 19433 1 674 . 1 1 63 63 THR H H 1 9.432 0.025 . 1 . . . A 63 THR H . 19433 1 675 . 1 1 63 63 THR HA H 1 4.751 0.025 . 1 . . . A 63 THR HA . 19433 1 676 . 1 1 63 63 THR HB H 1 4.416 0.025 . 1 . . . A 63 THR HB . 19433 1 677 . 1 1 63 63 THR HG21 H 1 1.295 0.025 . 1 . . . A 63 THR QG2 . 19433 1 678 . 1 1 63 63 THR HG22 H 1 1.295 0.025 . 1 . . . A 63 THR QG2 . 19433 1 679 . 1 1 63 63 THR HG23 H 1 1.295 0.025 . 1 . . . A 63 THR QG2 . 19433 1 680 . 1 1 63 63 THR CA C 13 58.700 0.141 . 1 . . . A 63 THR CA . 19433 1 681 . 1 1 63 63 THR CB C 13 68.654 0.141 . 1 . . . A 63 THR CB . 19433 1 682 . 1 1 63 63 THR CG2 C 13 20.036 0.141 . 1 . . . A 63 THR CG2 . 19433 1 683 . 1 1 63 63 THR N N 15 115.003 0.102 . 1 . . . A 63 THR N . 19433 1 684 . 1 1 64 64 GLN H H 1 8.037 0.025 . 1 . . . A 64 GLN H . 19433 1 685 . 1 1 64 64 GLN HA H 1 3.842 0.025 . 1 . . . A 64 GLN HA . 19433 1 686 . 1 1 64 64 GLN HB2 H 1 2.358 0.025 . 2 . . . A 64 GLN HB2 . 19433 1 687 . 1 1 64 64 GLN HB3 H 1 1.975 0.025 . 2 . . . A 64 GLN HB3 . 19433 1 688 . 1 1 64 64 GLN HG2 H 1 2.365 0.025 . 2 . . . A 64 GLN QG . 19433 1 689 . 1 1 64 64 GLN HG3 H 1 2.365 0.025 . 2 . . . A 64 GLN QG . 19433 1 690 . 1 1 64 64 GLN HE21 H 1 6.895 0.025 . 2 . . . A 64 GLN HE21 . 19433 1 691 . 1 1 64 64 GLN HE22 H 1 7.525 0.025 . 2 . . . A 64 GLN HE22 . 19433 1 692 . 1 1 64 64 GLN CA C 13 56.272 0.141 . 1 . . . A 64 GLN CA . 19433 1 693 . 1 1 64 64 GLN CB C 13 26.086 0.141 . 1 . . . A 64 GLN CB . 19433 1 694 . 1 1 64 64 GLN CG C 13 30.619 0.141 . 1 . . . A 64 GLN CG . 19433 1 695 . 1 1 64 64 GLN N N 15 120.671 0.102 . 1 . . . A 64 GLN N . 19433 1 696 . 1 1 64 64 GLN NE2 N 15 112.157 0.102 . 1 . . . A 64 GLN NE2 . 19433 1 697 . 1 1 65 65 SER H H 1 7.670 0.025 . 1 . . . A 65 SER H . 19433 1 698 . 1 1 65 65 SER HA H 1 4.351 0.025 . 1 . . . A 65 SER HA . 19433 1 699 . 1 1 65 65 SER HB2 H 1 3.676 0.025 . 2 . . . A 65 SER HB2 . 19433 1 700 . 1 1 65 65 SER HB3 H 1 4.001 0.025 . 2 . . . A 65 SER HB3 . 19433 1 701 . 1 1 65 65 SER CA C 13 55.577 0.141 . 1 . . . A 65 SER CA . 19433 1 702 . 1 1 65 65 SER CB C 13 60.350 0.141 . 1 . . . A 65 SER CB . 19433 1 703 . 1 1 65 65 SER N N 15 110.096 0.102 . 1 . . . A 65 SER N . 19433 1 704 . 1 1 66 66 GLY H H 1 7.810 0.025 . 1 . . . A 66 GLY H . 19433 1 705 . 1 1 66 66 GLY HA2 H 1 3.406 0.025 . 2 . . . A 66 GLY HA2 . 19433 1 706 . 1 1 66 66 GLY HA3 H 1 4.284 0.025 . 2 . . . A 66 GLY HA3 . 19433 1 707 . 1 1 66 66 GLY CA C 13 42.650 0.141 . 1 . . . A 66 GLY CA . 19433 1 708 . 1 1 66 66 GLY N N 15 109.466 0.102 . 1 . . . A 66 GLY N . 19433 1 709 . 1 1 67 67 GLU H H 1 7.518 0.025 . 1 . . . A 67 GLU H . 19433 1 710 . 1 1 67 67 GLU HA H 1 4.303 0.025 . 1 . . . A 67 GLU HA . 19433 1 711 . 1 1 67 67 GLU HB2 H 1 2.002 0.025 . 2 . . . A 67 GLU HB2 . 19433 1 712 . 1 1 67 67 GLU HB3 H 1 1.899 0.025 . 2 . . . A 67 GLU HB3 . 19433 1 713 . 1 1 67 67 GLU HG2 H 1 2.175 0.025 . 2 . . . A 67 GLU QG . 19433 1 714 . 1 1 67 67 GLU HG3 H 1 2.175 0.025 . 2 . . . A 67 GLU QG . 19433 1 715 . 1 1 67 67 GLU CA C 13 53.919 0.141 . 1 . . . A 67 GLU CA . 19433 1 716 . 1 1 67 67 GLU CB C 13 27.030 0.141 . 1 . . . A 67 GLU CB . 19433 1 717 . 1 1 67 67 GLU CG C 13 33.462 0.141 . 1 . . . A 67 GLU CG . 19433 1 718 . 1 1 67 67 GLU N N 15 121.149 0.102 . 1 . . . A 67 GLU N . 19433 1 719 . 1 1 68 68 LYS H H 1 8.631 0.025 . 1 . . . A 68 LYS H . 19433 1 720 . 1 1 68 68 LYS HA H 1 4.886 0.025 . 1 . . . A 68 LYS HA . 19433 1 721 . 1 1 68 68 LYS HB2 H 1 1.738 0.025 . 2 . . . A 68 LYS HB2 . 19433 1 722 . 1 1 68 68 LYS HB3 H 1 1.676 0.025 . 2 . . . A 68 LYS HB3 . 19433 1 723 . 1 1 68 68 LYS HG2 H 1 1.273 0.025 . 2 . . . A 68 LYS HG2 . 19433 1 724 . 1 1 68 68 LYS HG3 H 1 1.395 0.025 . 2 . . . A 68 LYS HG3 . 19433 1 725 . 1 1 68 68 LYS HD2 H 1 1.543 0.025 . 2 . . . A 68 LYS QD . 19433 1 726 . 1 1 68 68 LYS HD3 H 1 1.543 0.025 . 2 . . . A 68 LYS QD . 19433 1 727 . 1 1 68 68 LYS HE2 H 1 2.836 0.025 . 2 . . . A 68 LYS QE . 19433 1 728 . 1 1 68 68 LYS HE3 H 1 2.836 0.025 . 2 . . . A 68 LYS QE . 19433 1 729 . 1 1 68 68 LYS CA C 13 53.002 0.141 . 1 . . . A 68 LYS CA . 19433 1 730 . 1 1 68 68 LYS CB C 13 31.499 0.141 . 1 . . . A 68 LYS CB . 19433 1 731 . 1 1 68 68 LYS CG C 13 22.433 0.141 . 1 . . . A 68 LYS CG . 19433 1 732 . 1 1 68 68 LYS CD C 13 26.732 0.141 . 1 . . . A 68 LYS CD . 19433 1 733 . 1 1 68 68 LYS CE C 13 39.421 0.141 . 1 . . . A 68 LYS CE . 19433 1 734 . 1 1 68 68 LYS N N 15 124.553 0.102 . 1 . . . A 68 LYS N . 19433 1 735 . 1 1 69 69 PHE H H 1 8.180 0.025 . 1 . . . A 69 PHE H . 19433 1 736 . 1 1 69 69 PHE HA H 1 5.162 0.025 . 1 . . . A 69 PHE HA . 19433 1 737 . 1 1 69 69 PHE HB2 H 1 2.829 0.025 . 2 . . . A 69 PHE HB2 . 19433 1 738 . 1 1 69 69 PHE HB3 H 1 2.768 0.025 . 2 . . . A 69 PHE HB3 . 19433 1 739 . 1 1 69 69 PHE HD1 H 1 6.707 0.025 . 3 . . . A 69 PHE QD . 19433 1 740 . 1 1 69 69 PHE HD2 H 1 6.707 0.025 . 3 . . . A 69 PHE QD . 19433 1 741 . 1 1 69 69 PHE HE1 H 1 6.686 0.025 . 3 . . . A 69 PHE QE . 19433 1 742 . 1 1 69 69 PHE HE2 H 1 6.686 0.025 . 3 . . . A 69 PHE QE . 19433 1 743 . 1 1 69 69 PHE HZ H 1 6.720 0.025 . 1 . . . A 69 PHE HZ . 19433 1 744 . 1 1 69 69 PHE CA C 13 52.610 0.141 . 1 . . . A 69 PHE CA . 19433 1 745 . 1 1 69 69 PHE CB C 13 39.531 0.141 . 1 . . . A 69 PHE CB . 19433 1 746 . 1 1 69 69 PHE CD1 C 13 130.489 0.141 . 3 . . . A 69 PHE CD1 . 19433 1 747 . 1 1 69 69 PHE CD2 C 13 130.489 0.141 . 3 . . . A 69 PHE CD2 . 19433 1 748 . 1 1 69 69 PHE CE1 C 13 126.531 0.141 . 3 . . . A 69 PHE CE1 . 19433 1 749 . 1 1 69 69 PHE CE2 C 13 126.531 0.141 . 3 . . . A 69 PHE CE2 . 19433 1 750 . 1 1 69 69 PHE CZ C 13 124.891 0.141 . 1 . . . A 69 PHE CZ . 19433 1 751 . 1 1 69 69 PHE N N 15 119.363 0.102 . 1 . . . A 69 PHE N . 19433 1 752 . 1 1 70 70 THR H H 1 8.623 0.025 . 1 . . . A 70 THR H . 19433 1 753 . 1 1 70 70 THR HA H 1 5.331 0.025 . 1 . . . A 70 THR HA . 19433 1 754 . 1 1 70 70 THR HB H 1 3.839 0.025 . 1 . . . A 70 THR HB . 19433 1 755 . 1 1 70 70 THR HG21 H 1 0.980 0.025 . 1 . . . A 70 THR QG2 . 19433 1 756 . 1 1 70 70 THR HG22 H 1 0.980 0.025 . 1 . . . A 70 THR QG2 . 19433 1 757 . 1 1 70 70 THR HG23 H 1 0.980 0.025 . 1 . . . A 70 THR QG2 . 19433 1 758 . 1 1 70 70 THR CA C 13 57.694 0.141 . 1 . . . A 70 THR CA . 19433 1 759 . 1 1 70 70 THR CB C 13 69.969 0.141 . 1 . . . A 70 THR CB . 19433 1 760 . 1 1 70 70 THR CG2 C 13 18.795 0.141 . 1 . . . A 70 THR CG2 . 19433 1 761 . 1 1 70 70 THR N N 15 113.468 0.102 . 1 . . . A 70 THR N . 19433 1 762 . 1 1 71 71 GLY H H 1 8.955 0.025 . 1 . . . A 71 GLY H . 19433 1 763 . 1 1 71 71 GLY HA2 H 1 4.380 0.025 . 2 . . . A 71 GLY HA2 . 19433 1 764 . 1 1 71 71 GLY HA3 H 1 3.301 0.025 . 2 . . . A 71 GLY HA3 . 19433 1 765 . 1 1 71 71 GLY CA C 13 42.758 0.141 . 1 . . . A 71 GLY CA . 19433 1 766 . 1 1 71 71 GLY N N 15 110.469 0.102 . 1 . . . A 71 GLY N . 19433 1 767 . 1 1 72 72 HIS H H 1 8.162 0.025 . 1 . . . A 72 HIS H . 19433 1 768 . 1 1 72 72 HIS HA H 1 5.286 0.025 . 1 . . . A 72 HIS HA . 19433 1 769 . 1 1 72 72 HIS HB2 H 1 3.005 0.025 . 2 . . . A 72 HIS HB2 . 19433 1 770 . 1 1 72 72 HIS HB3 H 1 2.939 0.025 . 2 . . . A 72 HIS HB3 . 19433 1 771 . 1 1 72 72 HIS HD2 H 1 7.145 0.025 . 1 . . . A 72 HIS HD2 . 19433 1 772 . 1 1 72 72 HIS HE1 H 1 8.438 0.025 . 1 . . . A 72 HIS HE1 . 19433 1 773 . 1 1 72 72 HIS CA C 13 51.920 0.141 . 1 . . . A 72 HIS CA . 19433 1 774 . 1 1 72 72 HIS CB C 13 28.409 0.141 . 1 . . . A 72 HIS CB . 19433 1 775 . 1 1 72 72 HIS CD2 C 13 118.319 0.141 . 1 . . . A 72 HIS CD2 . 19433 1 776 . 1 1 72 72 HIS CE1 C 13 133.741 0.141 . 1 . . . A 72 HIS CE1 . 19433 1 777 . 1 1 72 72 HIS N N 15 121.565 0.102 . 1 . . . A 72 HIS N . 19433 1 778 . 1 1 73 73 PHE H H 1 9.117 0.025 . 1 . . . A 73 PHE H . 19433 1 779 . 1 1 73 73 PHE HA H 1 4.994 0.025 . 1 . . . A 73 PHE HA . 19433 1 780 . 1 1 73 73 PHE HB2 H 1 3.072 0.025 . 2 . . . A 73 PHE HB2 . 19433 1 781 . 1 1 73 73 PHE HB3 H 1 2.778 0.025 . 2 . . . A 73 PHE HB3 . 19433 1 782 . 1 1 73 73 PHE HD1 H 1 7.139 0.025 . 3 . . . A 73 PHE QD . 19433 1 783 . 1 1 73 73 PHE HD2 H 1 7.139 0.025 . 3 . . . A 73 PHE QD . 19433 1 784 . 1 1 73 73 PHE HE1 H 1 7.083 0.025 . 3 . . . A 73 PHE QE . 19433 1 785 . 1 1 73 73 PHE HE2 H 1 7.083 0.025 . 3 . . . A 73 PHE QE . 19433 1 786 . 1 1 73 73 PHE HZ H 1 7.091 0.025 . 1 . . . A 73 PHE HZ . 19433 1 787 . 1 1 73 73 PHE CA C 13 54.002 0.141 . 1 . . . A 73 PHE CA . 19433 1 788 . 1 1 73 73 PHE CB C 13 40.278 0.141 . 1 . . . A 73 PHE CB . 19433 1 789 . 1 1 73 73 PHE CD1 C 13 130.150 0.141 . 3 . . . A 73 PHE CD1 . 19433 1 790 . 1 1 73 73 PHE CD2 C 13 130.153 0.141 . 3 . . . A 73 PHE CD2 . 19433 1 791 . 1 1 73 73 PHE CE1 C 13 127.706 0.141 . 3 . . . A 73 PHE CE1 . 19433 1 792 . 1 1 73 73 PHE CE2 C 13 127.706 0.141 . 3 . . . A 73 PHE CE2 . 19433 1 793 . 1 1 73 73 PHE CZ C 13 126.443 0.141 . 1 . . . A 73 PHE CZ . 19433 1 794 . 1 1 73 73 PHE N N 15 122.114 0.102 . 1 . . . A 73 PHE N . 19433 1 795 . 1 1 74 74 LYS H H 1 8.889 0.025 . 1 . . . A 74 LYS H . 19433 1 796 . 1 1 74 74 LYS HA H 1 4.876 0.025 . 1 . . . A 74 LYS HA . 19433 1 797 . 1 1 74 74 LYS HB2 H 1 1.845 0.025 . 2 . . . A 74 LYS HB2 . 19433 1 798 . 1 1 74 74 LYS HB3 H 1 1.918 0.025 . 2 . . . A 74 LYS HB3 . 19433 1 799 . 1 1 74 74 LYS HG2 H 1 1.334 0.025 . 2 . . . A 74 LYS HG2 . 19433 1 800 . 1 1 74 74 LYS HG3 H 1 1.415 0.025 . 2 . . . A 74 LYS HG3 . 19433 1 801 . 1 1 74 74 LYS HD2 H 1 1.657 0.025 . 2 . . . A 74 LYS QD . 19433 1 802 . 1 1 74 74 LYS HD3 H 1 1.657 0.025 . 2 . . . A 74 LYS QD . 19433 1 803 . 1 1 74 74 LYS HE2 H 1 2.949 0.025 . 2 . . . A 74 LYS QE . 19433 1 804 . 1 1 74 74 LYS HE3 H 1 2.949 0.025 . 2 . . . A 74 LYS QE . 19433 1 805 . 1 1 74 74 LYS CA C 13 52.801 0.141 . 1 . . . A 74 LYS CA . 19433 1 806 . 1 1 74 74 LYS CB C 13 32.741 0.141 . 1 . . . A 74 LYS CB . 19433 1 807 . 1 1 74 74 LYS CG C 13 21.618 0.141 . 1 . . . A 74 LYS CG . 19433 1 808 . 1 1 74 74 LYS CD C 13 26.863 0.141 . 1 . . . A 74 LYS CD . 19433 1 809 . 1 1 74 74 LYS CE C 13 39.670 0.141 . 1 . . . A 74 LYS CE . 19433 1 810 . 1 1 74 74 LYS N N 15 122.834 0.102 . 1 . . . A 74 LYS N . 19433 1 811 . 1 1 75 75 GLY H H 1 8.418 0.025 . 1 . . . A 75 GLY H . 19433 1 812 . 1 1 75 75 GLY HA2 H 1 3.907 0.025 . 2 . . . A 75 GLY QA . 19433 1 813 . 1 1 75 75 GLY HA3 H 1 3.907 0.025 . 2 . . . A 75 GLY QA . 19433 1 814 . 1 1 75 75 GLY CA C 13 44.235 0.141 . 1 . . . A 75 GLY CA . 19433 1 815 . 1 1 75 75 GLY N N 15 109.821 0.102 . 1 . . . A 75 GLY N . 19433 1 816 . 1 1 76 76 LEU H H 1 7.893 0.025 . 1 . . . A 76 LEU H . 19433 1 817 . 1 1 76 76 LEU HA H 1 4.340 0.025 . 1 . . . A 76 LEU HA . 19433 1 818 . 1 1 76 76 LEU HB2 H 1 1.350 0.025 . 2 . . . A 76 LEU HB2 . 19433 1 819 . 1 1 76 76 LEU HB3 H 1 1.676 0.025 . 2 . . . A 76 LEU HB3 . 19433 1 820 . 1 1 76 76 LEU HG H 1 1.267 0.025 . 1 . . . A 76 LEU HG . 19433 1 821 . 1 1 76 76 LEU HD11 H 1 0.532 0.025 . 1 . . . A 76 LEU QD1 . 19433 1 822 . 1 1 76 76 LEU HD12 H 1 0.532 0.025 . 1 . . . A 76 LEU QD1 . 19433 1 823 . 1 1 76 76 LEU HD13 H 1 0.532 0.025 . 1 . . . A 76 LEU QD1 . 19433 1 824 . 1 1 76 76 LEU HD21 H 1 0.707 0.025 . 1 . . . A 76 LEU QD2 . 19433 1 825 . 1 1 76 76 LEU HD22 H 1 0.707 0.025 . 1 . . . A 76 LEU QD2 . 19433 1 826 . 1 1 76 76 LEU HD23 H 1 0.707 0.025 . 1 . . . A 76 LEU QD2 . 19433 1 827 . 1 1 76 76 LEU CA C 13 52.374 0.141 . 1 . . . A 76 LEU CA . 19433 1 828 . 1 1 76 76 LEU CB C 13 39.659 0.141 . 1 . . . A 76 LEU CB . 19433 1 829 . 1 1 76 76 LEU CG C 13 24.755 0.141 . 1 . . . A 76 LEU CG . 19433 1 830 . 1 1 76 76 LEU CD1 C 13 23.222 0.141 . 2 . . . A 76 LEU CD1 . 19433 1 831 . 1 1 76 76 LEU CD2 C 13 20.343 0.141 . 2 . . . A 76 LEU CD2 . 19433 1 832 . 1 1 76 76 LEU N N 15 119.557 0.102 . 1 . . . A 76 LEU N . 19433 1 833 . 1 1 77 77 VAL H H 1 8.583 0.025 . 1 . . . A 77 VAL H . 19433 1 834 . 1 1 77 77 VAL HA H 1 4.393 0.025 . 1 . . . A 77 VAL HA . 19433 1 835 . 1 1 77 77 VAL HB H 1 2.020 0.025 . 1 . . . A 77 VAL HB . 19433 1 836 . 1 1 77 77 VAL HG11 H 1 0.828 0.025 . 1 . . . A 77 VAL QG1 . 19433 1 837 . 1 1 77 77 VAL HG12 H 1 0.828 0.025 . 1 . . . A 77 VAL QG1 . 19433 1 838 . 1 1 77 77 VAL HG13 H 1 0.828 0.025 . 1 . . . A 77 VAL QG1 . 19433 1 839 . 1 1 77 77 VAL HG21 H 1 0.797 0.025 . 1 . . . A 77 VAL QG2 . 19433 1 840 . 1 1 77 77 VAL HG22 H 1 0.797 0.025 . 1 . . . A 77 VAL QG2 . 19433 1 841 . 1 1 77 77 VAL HG23 H 1 0.797 0.025 . 1 . . . A 77 VAL QG2 . 19433 1 842 . 1 1 77 77 VAL CA C 13 58.445 0.141 . 1 . . . A 77 VAL CA . 19433 1 843 . 1 1 77 77 VAL CB C 13 32.212 0.141 . 1 . . . A 77 VAL CB . 19433 1 844 . 1 1 77 77 VAL CG1 C 13 18.933 0.141 . 2 . . . A 77 VAL CG1 . 19433 1 845 . 1 1 77 77 VAL CG2 C 13 17.104 0.141 . 2 . . . A 77 VAL CG2 . 19433 1 846 . 1 1 77 77 VAL N N 15 118.411 0.102 . 1 . . . A 77 VAL N . 19433 1 847 . 1 1 78 78 GLY H H 1 8.218 0.025 . 1 . . . A 78 GLY H . 19433 1 848 . 1 1 78 78 GLY HA2 H 1 3.819 0.025 . 2 . . . A 78 GLY HA2 . 19433 1 849 . 1 1 78 78 GLY HA3 H 1 4.246 0.025 . 2 . . . A 78 GLY HA3 . 19433 1 850 . 1 1 78 78 GLY CA C 13 41.998 0.141 . 1 . . . A 78 GLY CA . 19433 1 851 . 1 1 78 78 GLY N N 15 111.284 0.102 . 1 . . . A 78 GLY N . 19433 1 852 . 1 1 79 79 LYS H H 1 8.347 0.025 . 1 . . . A 79 LYS H . 19433 1 853 . 1 1 79 79 LYS HA H 1 4.277 0.025 . 1 . . . A 79 LYS HA . 19433 1 854 . 1 1 79 79 LYS HB2 H 1 1.784 0.025 . 2 . . . A 79 LYS HB2 . 19433 1 855 . 1 1 79 79 LYS HB3 H 1 1.697 0.025 . 2 . . . A 79 LYS HB3 . 19433 1 856 . 1 1 79 79 LYS HG2 H 1 1.333 0.025 . 2 . . . A 79 LYS QG . 19433 1 857 . 1 1 79 79 LYS HG3 H 1 1.333 0.025 . 2 . . . A 79 LYS QG . 19433 1 858 . 1 1 79 79 LYS HD2 H 1 1.584 0.025 . 2 . . . A 79 LYS QD . 19433 1 859 . 1 1 79 79 LYS HD3 H 1 1.584 0.025 . 2 . . . A 79 LYS QD . 19433 1 860 . 1 1 79 79 LYS HE2 H 1 2.903 0.025 . 2 . . . A 79 LYS QE . 19433 1 861 . 1 1 79 79 LYS HE3 H 1 2.903 0.025 . 2 . . . A 79 LYS QE . 19433 1 862 . 1 1 79 79 LYS CA C 13 54.451 0.141 . 1 . . . A 79 LYS CA . 19433 1 863 . 1 1 79 79 LYS CB C 13 30.277 0.141 . 1 . . . A 79 LYS CB . 19433 1 864 . 1 1 79 79 LYS CG C 13 22.137 0.141 . 1 . . . A 79 LYS CG . 19433 1 865 . 1 1 79 79 LYS CD C 13 26.516 0.141 . 1 . . . A 79 LYS CD . 19433 1 866 . 1 1 79 79 LYS CE C 13 39.594 0.141 . 1 . . . A 79 LYS CE . 19433 1 867 . 1 1 79 79 LYS N N 15 120.895 0.102 . 1 . . . A 79 LYS N . 19433 1 868 . 1 1 80 80 ASP H H 1 7.993 0.025 . 1 . . . A 80 ASP H . 19433 1 869 . 1 1 80 80 ASP HA H 1 4.807 0.025 . 1 . . . A 80 ASP HA . 19433 1 870 . 1 1 80 80 ASP HB2 H 1 2.554 0.025 . 2 . . . A 80 ASP HB2 . 19433 1 871 . 1 1 80 80 ASP HB3 H 1 2.397 0.025 . 2 . . . A 80 ASP HB3 . 19433 1 872 . 1 1 80 80 ASP CA C 13 51.234 0.141 . 1 . . . A 80 ASP CA . 19433 1 873 . 1 1 80 80 ASP CB C 13 39.024 0.141 . 1 . . . A 80 ASP CB . 19433 1 874 . 1 1 80 80 ASP N N 15 119.681 0.102 . 1 . . . A 80 ASP N . 19433 1 875 . 1 1 81 81 THR H H 1 8.002 0.025 . 1 . . . A 81 THR H . 19433 1 876 . 1 1 81 81 THR HA H 1 4.076 0.025 . 1 . . . A 81 THR HA . 19433 1 877 . 1 1 81 81 THR HB H 1 3.405 0.025 . 1 . . . A 81 THR HB . 19433 1 878 . 1 1 81 81 THR HG21 H 1 0.724 0.025 . 1 . . . A 81 THR QG2 . 19433 1 879 . 1 1 81 81 THR HG22 H 1 0.724 0.025 . 1 . . . A 81 THR QG2 . 19433 1 880 . 1 1 81 81 THR HG23 H 1 0.724 0.025 . 1 . . . A 81 THR QG2 . 19433 1 881 . 1 1 81 81 THR CA C 13 60.371 0.141 . 1 . . . A 81 THR CA . 19433 1 882 . 1 1 81 81 THR CB C 13 67.694 0.141 . 1 . . . A 81 THR CB . 19433 1 883 . 1 1 81 81 THR CG2 C 13 19.519 0.141 . 1 . . . A 81 THR CG2 . 19433 1 884 . 1 1 81 81 THR N N 15 118.659 0.102 . 1 . . . A 81 THR N . 19433 1 885 . 1 1 82 82 ARG H H 1 8.183 0.025 . 1 . . . A 82 ARG H . 19433 1 886 . 1 1 82 82 ARG HA H 1 4.597 0.025 . 1 . . . A 82 ARG HA . 19433 1 887 . 1 1 82 82 ARG HB2 H 1 1.553 0.025 . 2 . . . A 82 ARG HB2 . 19433 1 888 . 1 1 82 82 ARG HB3 H 1 1.144 0.025 . 2 . . . A 82 ARG HB3 . 19433 1 889 . 1 1 82 82 ARG HG2 H 1 1.422 0.025 . 2 . . . A 82 ARG HG2 . 19433 1 890 . 1 1 82 82 ARG HG3 H 1 1.212 0.025 . 2 . . . A 82 ARG HG3 . 19433 1 891 . 1 1 82 82 ARG HD2 H 1 3.061 0.025 . 2 . . . A 82 ARG HD2 . 19433 1 892 . 1 1 82 82 ARG HD3 H 1 2.971 0.025 . 2 . . . A 82 ARG HD3 . 19433 1 893 . 1 1 82 82 ARG CA C 13 52.171 0.141 . 1 . . . A 82 ARG CA . 19433 1 894 . 1 1 82 82 ARG CB C 13 29.608 0.141 . 1 . . . A 82 ARG CB . 19433 1 895 . 1 1 82 82 ARG CG C 13 25.040 0.141 . 1 . . . A 82 ARG CG . 19433 1 896 . 1 1 82 82 ARG CD C 13 41.074 0.141 . 1 . . . A 82 ARG CD . 19433 1 897 . 1 1 82 82 ARG N N 15 127.944 0.102 . 1 . . . A 82 ARG N . 19433 1 898 . 1 1 83 83 VAL H H 1 8.639 0.025 . 1 . . . A 83 VAL H . 19433 1 899 . 1 1 83 83 VAL HA H 1 4.064 0.025 . 1 . . . A 83 VAL HA . 19433 1 900 . 1 1 83 83 VAL HB H 1 1.835 0.025 . 1 . . . A 83 VAL HB . 19433 1 901 . 1 1 83 83 VAL HG11 H 1 0.466 0.025 . 1 . . . A 83 VAL QG1 . 19433 1 902 . 1 1 83 83 VAL HG12 H 1 0.466 0.025 . 1 . . . A 83 VAL QG1 . 19433 1 903 . 1 1 83 83 VAL HG13 H 1 0.466 0.025 . 1 . . . A 83 VAL QG1 . 19433 1 904 . 1 1 83 83 VAL HG21 H 1 0.348 0.025 . 1 . . . A 83 VAL QG2 . 19433 1 905 . 1 1 83 83 VAL HG22 H 1 0.348 0.025 . 1 . . . A 83 VAL QG2 . 19433 1 906 . 1 1 83 83 VAL HG23 H 1 0.348 0.025 . 1 . . . A 83 VAL QG2 . 19433 1 907 . 1 1 83 83 VAL CA C 13 57.675 0.141 . 1 . . . A 83 VAL CA . 19433 1 908 . 1 1 83 83 VAL CB C 13 30.315 0.141 . 1 . . . A 83 VAL CB . 19433 1 909 . 1 1 83 83 VAL CG1 C 13 18.991 0.141 . 2 . . . A 83 VAL CG1 . 19433 1 910 . 1 1 83 83 VAL CG2 C 13 17.785 0.141 . 2 . . . A 83 VAL CG2 . 19433 1 911 . 1 1 83 83 VAL N N 15 121.617 0.102 . 1 . . . A 83 VAL N . 19433 1 912 . 1 1 84 84 PHE H H 1 9.198 0.025 . 1 . . . A 84 PHE H . 19433 1 913 . 1 1 84 84 PHE HA H 1 4.967 0.025 . 1 . . . A 84 PHE HA . 19433 1 914 . 1 1 84 84 PHE HB2 H 1 2.625 0.025 . 2 . . . A 84 PHE QB . 19433 1 915 . 1 1 84 84 PHE HB3 H 1 2.625 0.025 . 2 . . . A 84 PHE QB . 19433 1 916 . 1 1 84 84 PHE HD1 H 1 6.969 0.025 . 3 . . . A 84 PHE HD1 . 19433 1 917 . 1 1 84 84 PHE HD2 H 1 7.098 0.025 . 3 . . . A 84 PHE HD2 . 19433 1 918 . 1 1 84 84 PHE HE1 H 1 7.131 0.025 . 3 . . . A 84 PHE QE . 19433 1 919 . 1 1 84 84 PHE HE2 H 1 7.131 0.025 . 3 . . . A 84 PHE QE . 19433 1 920 . 1 1 84 84 PHE CA C 13 53.799 0.141 . 1 . . . A 84 PHE CA . 19433 1 921 . 1 1 84 84 PHE CB C 13 38.688 0.141 . 1 . . . A 84 PHE CB . 19433 1 922 . 1 1 84 84 PHE CD1 C 13 128.663 0.141 . 3 . . . A 84 PHE CD1 . 19433 1 923 . 1 1 84 84 PHE CD2 C 13 128.663 0.141 . 3 . . . A 84 PHE CD2 . 19433 1 924 . 1 1 84 84 PHE CE1 C 13 126.810 0.141 . 3 . . . A 84 PHE CE1 . 19433 1 925 . 1 1 84 84 PHE CE2 C 13 126.808 0.141 . 3 . . . A 84 PHE CE2 . 19433 1 926 . 1 1 84 84 PHE N N 15 124.702 0.102 . 1 . . . A 84 PHE N . 19433 1 927 . 1 1 85 85 ILE H H 1 8.650 0.025 . 1 . . . A 85 ILE H . 19433 1 928 . 1 1 85 85 ILE HA H 1 4.447 0.025 . 1 . . . A 85 ILE HA . 19433 1 929 . 1 1 85 85 ILE HB H 1 1.689 0.025 . 1 . . . A 85 ILE HB . 19433 1 930 . 1 1 85 85 ILE HG12 H 1 0.613 0.025 . 2 . . . A 85 ILE HG12 . 19433 1 931 . 1 1 85 85 ILE HG13 H 1 1.355 0.025 . 2 . . . A 85 ILE HG13 . 19433 1 932 . 1 1 85 85 ILE HG21 H 1 0.120 0.025 . 1 . . . A 85 ILE QG2 . 19433 1 933 . 1 1 85 85 ILE HG22 H 1 0.120 0.025 . 1 . . . A 85 ILE QG2 . 19433 1 934 . 1 1 85 85 ILE HG23 H 1 0.120 0.025 . 1 . . . A 85 ILE QG2 . 19433 1 935 . 1 1 85 85 ILE HD11 H 1 0.559 0.025 . 1 . . . A 85 ILE QD1 . 19433 1 936 . 1 1 85 85 ILE HD12 H 1 0.559 0.025 . 1 . . . A 85 ILE QD1 . 19433 1 937 . 1 1 85 85 ILE HD13 H 1 0.559 0.025 . 1 . . . A 85 ILE QD1 . 19433 1 938 . 1 1 85 85 ILE CA C 13 57.913 0.141 . 1 . . . A 85 ILE CA . 19433 1 939 . 1 1 85 85 ILE CB C 13 35.870 0.141 . 1 . . . A 85 ILE CB . 19433 1 940 . 1 1 85 85 ILE CG1 C 13 24.678 0.141 . 1 . . . A 85 ILE CG1 . 19433 1 941 . 1 1 85 85 ILE CG2 C 13 15.123 0.141 . 1 . . . A 85 ILE CG2 . 19433 1 942 . 1 1 85 85 ILE CD1 C 13 11.665 0.141 . 1 . . . A 85 ILE CD1 . 19433 1 943 . 1 1 85 85 ILE N N 15 123.027 0.102 . 1 . . . A 85 ILE N . 19433 1 944 . 1 1 86 86 GLU H H 1 8.754 0.025 . 1 . . . A 86 GLU H . 19433 1 945 . 1 1 86 86 GLU HA H 1 4.575 0.025 . 1 . . . A 86 GLU HA . 19433 1 946 . 1 1 86 86 GLU HB2 H 1 1.906 0.025 . 2 . . . A 86 GLU HB2 . 19433 1 947 . 1 1 86 86 GLU HB3 H 1 1.769 0.025 . 2 . . . A 86 GLU HB3 . 19433 1 948 . 1 1 86 86 GLU HG2 H 1 2.152 0.025 . 2 . . . A 86 GLU HG2 . 19433 1 949 . 1 1 86 86 GLU HG3 H 1 2.053 0.025 . 2 . . . A 86 GLU HG3 . 19433 1 950 . 1 1 86 86 GLU CA C 13 51.531 0.141 . 1 . . . A 86 GLU CA . 19433 1 951 . 1 1 86 86 GLU CB C 13 31.527 0.141 . 1 . . . A 86 GLU CB . 19433 1 952 . 1 1 86 86 GLU CG C 13 31.960 0.141 . 1 . . . A 86 GLU CG . 19433 1 953 . 1 1 86 86 GLU N N 15 124.137 0.102 . 1 . . . A 86 GLU N . 19433 1 954 . 1 1 87 87 LEU H H 1 8.394 0.025 . 1 . . . A 87 LEU H . 19433 1 955 . 1 1 87 87 LEU HA H 1 4.861 0.025 . 1 . . . A 87 LEU HA . 19433 1 956 . 1 1 87 87 LEU HB2 H 1 1.622 0.025 . 2 . . . A 87 LEU HB2 . 19433 1 957 . 1 1 87 87 LEU HB3 H 1 1.311 0.025 . 2 . . . A 87 LEU HB3 . 19433 1 958 . 1 1 87 87 LEU HG H 1 1.438 0.025 . 1 . . . A 87 LEU HG . 19433 1 959 . 1 1 87 87 LEU HD11 H 1 0.698 0.025 . 1 . . . A 87 LEU QD1 . 19433 1 960 . 1 1 87 87 LEU HD12 H 1 0.698 0.025 . 1 . . . A 87 LEU QD1 . 19433 1 961 . 1 1 87 87 LEU HD13 H 1 0.698 0.025 . 1 . . . A 87 LEU QD1 . 19433 1 962 . 1 1 87 87 LEU HD21 H 1 0.817 0.025 . 1 . . . A 87 LEU QD2 . 19433 1 963 . 1 1 87 87 LEU HD22 H 1 0.817 0.025 . 1 . . . A 87 LEU QD2 . 19433 1 964 . 1 1 87 87 LEU HD23 H 1 0.817 0.025 . 1 . . . A 87 LEU QD2 . 19433 1 965 . 1 1 87 87 LEU CA C 13 51.130 0.141 . 1 . . . A 87 LEU CA . 19433 1 966 . 1 1 87 87 LEU CB C 13 41.260 0.141 . 1 . . . A 87 LEU CB . 19433 1 967 . 1 1 87 87 LEU CG C 13 24.720 0.141 . 1 . . . A 87 LEU CG . 19433 1 968 . 1 1 87 87 LEU CD1 C 13 21.377 0.141 . 2 . . . A 87 LEU CD1 . 19433 1 969 . 1 1 87 87 LEU CD2 C 13 23.344 0.141 . 2 . . . A 87 LEU CD2 . 19433 1 970 . 1 1 87 87 LEU N N 15 120.087 0.102 . 1 . . . A 87 LEU N . 19433 1 971 . 1 1 88 88 ASP H H 1 8.770 0.025 . 1 . . . A 88 ASP H . 19433 1 972 . 1 1 88 88 ASP HA H 1 4.659 0.025 . 1 . . . A 88 ASP HA . 19433 1 973 . 1 1 88 88 ASP HB2 H 1 3.299 0.025 . 2 . . . A 88 ASP HB2 . 19433 1 974 . 1 1 88 88 ASP HB3 H 1 2.549 0.025 . 2 . . . A 88 ASP HB3 . 19433 1 975 . 1 1 88 88 ASP CA C 13 49.219 0.141 . 1 . . . A 88 ASP CA . 19433 1 976 . 1 1 88 88 ASP CB C 13 39.107 0.141 . 1 . . . A 88 ASP CB . 19433 1 977 . 1 1 88 88 ASP N N 15 123.072 0.102 . 1 . . . A 88 ASP N . 19433 1 978 . 1 1 89 89 GLU H H 1 9.033 0.025 . 1 . . . A 89 GLU H . 19433 1 979 . 1 1 89 89 GLU HA H 1 4.076 0.025 . 1 . . . A 89 GLU HA . 19433 1 980 . 1 1 89 89 GLU HB2 H 1 1.993 0.025 . 2 . . . A 89 GLU QB . 19433 1 981 . 1 1 89 89 GLU HB3 H 1 1.993 0.025 . 2 . . . A 89 GLU QB . 19433 1 982 . 1 1 89 89 GLU HG2 H 1 2.182 0.025 . 2 . . . A 89 GLU HG2 . 19433 1 983 . 1 1 89 89 GLU HG3 H 1 2.205 0.025 . 2 . . . A 89 GLU HG3 . 19433 1 984 . 1 1 89 89 GLU CA C 13 55.988 0.141 . 1 . . . A 89 GLU CA . 19433 1 985 . 1 1 89 89 GLU CB C 13 26.162 0.141 . 1 . . . A 89 GLU CB . 19433 1 986 . 1 1 89 89 GLU CG C 13 33.006 0.141 . 1 . . . A 89 GLU CG . 19433 1 987 . 1 1 89 89 GLU N N 15 117.437 0.102 . 1 . . . A 89 GLU N . 19433 1 988 . 1 1 90 90 ASN H H 1 8.351 0.025 . 1 . . . A 90 ASN H . 19433 1 989 . 1 1 90 90 ASN HA H 1 4.786 0.025 . 1 . . . A 90 ASN HA . 19433 1 990 . 1 1 90 90 ASN HB2 H 1 2.780 0.025 . 2 . . . A 90 ASN HB2 . 19433 1 991 . 1 1 90 90 ASN HB3 H 1 2.875 0.025 . 2 . . . A 90 ASN HB3 . 19433 1 992 . 1 1 90 90 ASN HD21 H 1 6.829 0.025 . 2 . . . A 90 ASN HD21 . 19433 1 993 . 1 1 90 90 ASN HD22 H 1 8.139 0.025 . 2 . . . A 90 ASN HD22 . 19433 1 994 . 1 1 90 90 ASN CA C 13 50.170 0.141 . 1 . . . A 90 ASN CA . 19433 1 995 . 1 1 90 90 ASN CB C 13 36.696 0.141 . 1 . . . A 90 ASN CB . 19433 1 996 . 1 1 90 90 ASN N N 15 118.824 0.102 . 1 . . . A 90 ASN N . 19433 1 997 . 1 1 90 90 ASN ND2 N 15 116.015 0.102 . 1 . . . A 90 ASN ND2 . 19433 1 998 . 1 1 91 91 ALA H H 1 8.284 0.025 . 1 . . . A 91 ALA H . 19433 1 999 . 1 1 91 91 ALA HA H 1 3.752 0.025 . 1 . . . A 91 ALA HA . 19433 1 1000 . 1 1 91 91 ALA HB1 H 1 1.540 0.025 . 1 . . . A 91 ALA QB . 19433 1 1001 . 1 1 91 91 ALA HB2 H 1 1.540 0.025 . 1 . . . A 91 ALA QB . 19433 1 1002 . 1 1 91 91 ALA HB3 H 1 1.540 0.025 . 1 . . . A 91 ALA QB . 19433 1 1003 . 1 1 91 91 ALA CA C 13 51.255 0.141 . 1 . . . A 91 ALA CA . 19433 1 1004 . 1 1 91 91 ALA CB C 13 13.918 0.141 . 1 . . . A 91 ALA CB . 19433 1 1005 . 1 1 91 91 ALA N N 15 118.167 0.102 . 1 . . . A 91 ALA N . 19433 1 1006 . 1 1 92 92 ASP H H 1 8.215 0.025 . 1 . . . A 92 ASP H . 19433 1 1007 . 1 1 92 92 ASP HA H 1 4.932 0.025 . 1 . . . A 92 ASP HA . 19433 1 1008 . 1 1 92 92 ASP HB2 H 1 2.513 0.025 . 2 . . . A 92 ASP HB2 . 19433 1 1009 . 1 1 92 92 ASP HB3 H 1 2.836 0.025 . 2 . . . A 92 ASP HB3 . 19433 1 1010 . 1 1 92 92 ASP CA C 13 50.816 0.141 . 1 . . . A 92 ASP CA . 19433 1 1011 . 1 1 92 92 ASP CB C 13 39.170 0.141 . 1 . . . A 92 ASP CB . 19433 1 1012 . 1 1 92 92 ASP N N 15 118.574 0.102 . 1 . . . A 92 ASP N . 19433 1 1013 . 1 1 93 93 VAL H H 1 8.440 0.025 . 1 . . . A 93 VAL H . 19433 1 1014 . 1 1 93 93 VAL HA H 1 4.069 0.025 . 1 . . . A 93 VAL HA . 19433 1 1015 . 1 1 93 93 VAL HB H 1 1.648 0.025 . 1 . . . A 93 VAL HB . 19433 1 1016 . 1 1 93 93 VAL HG11 H 1 0.739 0.025 . 1 . . . A 93 VAL QG1 . 19433 1 1017 . 1 1 93 93 VAL HG12 H 1 0.739 0.025 . 1 . . . A 93 VAL QG1 . 19433 1 1018 . 1 1 93 93 VAL HG13 H 1 0.739 0.025 . 1 . . . A 93 VAL QG1 . 19433 1 1019 . 1 1 93 93 VAL HG21 H 1 0.120 0.025 . 1 . . . A 93 VAL QG2 . 19433 1 1020 . 1 1 93 93 VAL HG22 H 1 0.120 0.025 . 1 . . . A 93 VAL QG2 . 19433 1 1021 . 1 1 93 93 VAL HG23 H 1 0.120 0.025 . 1 . . . A 93 VAL QG2 . 19433 1 1022 . 1 1 93 93 VAL CA C 13 60.454 0.141 . 1 . . . A 93 VAL CA . 19433 1 1023 . 1 1 93 93 VAL CB C 13 28.988 0.141 . 1 . . . A 93 VAL CB . 19433 1 1024 . 1 1 93 93 VAL CG1 C 13 20.324 0.141 . 2 . . . A 93 VAL CG1 . 19433 1 1025 . 1 1 93 93 VAL CG2 C 13 19.758 0.141 . 2 . . . A 93 VAL CG2 . 19433 1 1026 . 1 1 93 93 VAL N N 15 121.604 0.102 . 1 . . . A 93 VAL N . 19433 1 1027 . 1 1 94 94 GLN H H 1 8.958 0.025 . 1 . . . A 94 GLN H . 19433 1 1028 . 1 1 94 94 GLN HA H 1 4.761 0.025 . 1 . . . A 94 GLN HA . 19433 1 1029 . 1 1 94 94 GLN HB2 H 1 1.580 0.025 . 2 . . . A 94 GLN HB2 . 19433 1 1030 . 1 1 94 94 GLN HB3 H 1 1.914 0.025 . 2 . . . A 94 GLN HB3 . 19433 1 1031 . 1 1 94 94 GLN HG2 H 1 2.329 0.025 . 2 . . . A 94 GLN HG2 . 19433 1 1032 . 1 1 94 94 GLN HG3 H 1 2.235 0.025 . 2 . . . A 94 GLN HG3 . 19433 1 1033 . 1 1 94 94 GLN HE21 H 1 6.719 0.025 . 2 . . . A 94 GLN HE21 . 19433 1 1034 . 1 1 94 94 GLN HE22 H 1 7.291 0.025 . 2 . . . A 94 GLN HE22 . 19433 1 1035 . 1 1 94 94 GLN CA C 13 50.314 0.141 . 1 . . . A 94 GLN CA . 19433 1 1036 . 1 1 94 94 GLN CB C 13 29.399 0.141 . 1 . . . A 94 GLN CB . 19433 1 1037 . 1 1 94 94 GLN CG C 13 29.611 0.141 . 1 . . . A 94 GLN CG . 19433 1 1038 . 1 1 94 94 GLN N N 15 125.344 0.102 . 1 . . . A 94 GLN N . 19433 1 1039 . 1 1 94 94 GLN NE2 N 15 110.491 0.102 . 1 . . . A 94 GLN NE2 . 19433 1 1040 . 1 1 95 95 VAL H H 1 8.420 0.025 . 1 . . . A 95 VAL H . 19433 1 1041 . 1 1 95 95 VAL HA H 1 5.061 0.025 . 1 . . . A 95 VAL HA . 19433 1 1042 . 1 1 95 95 VAL HB H 1 1.873 0.025 . 1 . . . A 95 VAL HB . 19433 1 1043 . 1 1 95 95 VAL HG11 H 1 0.769 0.025 . 1 . . . A 95 VAL QG1 . 19433 1 1044 . 1 1 95 95 VAL HG12 H 1 0.769 0.025 . 1 . . . A 95 VAL QG1 . 19433 1 1045 . 1 1 95 95 VAL HG13 H 1 0.769 0.025 . 1 . . . A 95 VAL QG1 . 19433 1 1046 . 1 1 95 95 VAL HG21 H 1 0.796 0.025 . 1 . . . A 95 VAL QG2 . 19433 1 1047 . 1 1 95 95 VAL HG22 H 1 0.796 0.025 . 1 . . . A 95 VAL QG2 . 19433 1 1048 . 1 1 95 95 VAL HG23 H 1 0.796 0.025 . 1 . . . A 95 VAL QG2 . 19433 1 1049 . 1 1 95 95 VAL CA C 13 57.280 0.141 . 1 . . . A 95 VAL CA . 19433 1 1050 . 1 1 95 95 VAL CB C 13 30.926 0.141 . 1 . . . A 95 VAL CB . 19433 1 1051 . 1 1 95 95 VAL CG1 C 13 19.265 0.141 . 2 . . . A 95 VAL CG1 . 19433 1 1052 . 1 1 95 95 VAL CG2 C 13 19.749 0.141 . 2 . . . A 95 VAL CG2 . 19433 1 1053 . 1 1 95 95 VAL N N 15 119.370 0.102 . 1 . . . A 95 VAL N . 19433 1 1054 . 1 1 96 96 PHE H H 1 9.314 0.025 . 1 . . . A 96 PHE H . 19433 1 1055 . 1 1 96 96 PHE HA H 1 5.032 0.025 . 1 . . . A 96 PHE HA . 19433 1 1056 . 1 1 96 96 PHE HB2 H 1 2.889 0.025 . 2 . . . A 96 PHE QB . 19433 1 1057 . 1 1 96 96 PHE HB3 H 1 2.889 0.025 . 2 . . . A 96 PHE QB . 19433 1 1058 . 1 1 96 96 PHE HD1 H 1 7.012 0.025 . 3 . . . A 96 PHE QD . 19433 1 1059 . 1 1 96 96 PHE HD2 H 1 7.012 0.025 . 3 . . . A 96 PHE QD . 19433 1 1060 . 1 1 96 96 PHE CA C 13 53.890 0.141 . 1 . . . A 96 PHE CA . 19433 1 1061 . 1 1 96 96 PHE CB C 13 40.503 0.141 . 1 . . . A 96 PHE CB . 19433 1 1062 . 1 1 96 96 PHE CD1 C 13 129.178 0.141 . 3 . . . A 96 PHE CD1 . 19433 1 1063 . 1 1 96 96 PHE CD2 C 13 129.178 0.141 . 3 . . . A 96 PHE CD2 . 19433 1 1064 . 1 1 96 96 PHE N N 15 126.219 0.102 . 1 . . . A 96 PHE N . 19433 1 1065 . 1 1 97 97 ILE H H 1 7.613 0.025 . 1 . . . A 97 ILE H . 19433 1 1066 . 1 1 97 97 ILE HA H 1 4.814 0.025 . 1 . . . A 97 ILE HA . 19433 1 1067 . 1 1 97 97 ILE HB H 1 1.100 0.025 . 1 . . . A 97 ILE HB . 19433 1 1068 . 1 1 97 97 ILE HG12 H 1 0.578 0.025 . 2 . . . A 97 ILE HG12 . 19433 1 1069 . 1 1 97 97 ILE HG13 H 1 0.422 0.025 . 2 . . . A 97 ILE HG13 . 19433 1 1070 . 1 1 97 97 ILE HG21 H 1 0.562 0.025 . 1 . . . A 97 ILE QG2 . 19433 1 1071 . 1 1 97 97 ILE HG22 H 1 0.562 0.025 . 1 . . . A 97 ILE QG2 . 19433 1 1072 . 1 1 97 97 ILE HG23 H 1 0.562 0.025 . 1 . . . A 97 ILE QG2 . 19433 1 1073 . 1 1 97 97 ILE HD11 H 1 -0.046 0.025 . 1 . . . A 97 ILE QD1 . 19433 1 1074 . 1 1 97 97 ILE HD12 H 1 -0.046 0.025 . 1 . . . A 97 ILE QD1 . 19433 1 1075 . 1 1 97 97 ILE HD13 H 1 -0.046 0.025 . 1 . . . A 97 ILE QD1 . 19433 1 1076 . 1 1 97 97 ILE CA C 13 55.066 0.141 . 1 . . . A 97 ILE CA . 19433 1 1077 . 1 1 97 97 ILE CB C 13 37.277 0.141 . 1 . . . A 97 ILE CB . 19433 1 1078 . 1 1 97 97 ILE CG1 C 13 24.397 0.141 . 1 . . . A 97 ILE CG1 . 19433 1 1079 . 1 1 97 97 ILE CG2 C 13 13.895 0.141 . 1 . . . A 97 ILE CG2 . 19433 1 1080 . 1 1 97 97 ILE CD1 C 13 12.091 0.141 . 1 . . . A 97 ILE CD1 . 19433 1 1081 . 1 1 97 97 ILE N N 15 123.424 0.102 . 1 . . . A 97 ILE N . 19433 1 1082 . 1 1 98 98 PRO HA H 1 4.270 0.025 . 1 . . . A 98 PRO HA . 19433 1 1083 . 1 1 98 98 PRO HB2 H 1 2.158 0.025 . 2 . . . A 98 PRO HB2 . 19433 1 1084 . 1 1 98 98 PRO HB3 H 1 1.856 0.025 . 2 . . . A 98 PRO HB3 . 19433 1 1085 . 1 1 98 98 PRO HG2 H 1 1.848 0.025 . 2 . . . A 98 PRO HG2 . 19433 1 1086 . 1 1 98 98 PRO HG3 H 1 1.639 0.025 . 2 . . . A 98 PRO HG3 . 19433 1 1087 . 1 1 98 98 PRO HD2 H 1 4.107 0.025 . 2 . . . A 98 PRO HD2 . 19433 1 1088 . 1 1 98 98 PRO HD3 H 1 3.177 0.025 . 2 . . . A 98 PRO HD3 . 19433 1 1089 . 1 1 98 98 PRO CA C 13 59.998 0.141 . 1 . . . A 98 PRO CA . 19433 1 1090 . 1 1 98 98 PRO CB C 13 29.657 0.141 . 1 . . . A 98 PRO CB . 19433 1 1091 . 1 1 98 98 PRO CG C 13 24.612 0.141 . 1 . . . A 98 PRO CG . 19433 1 1092 . 1 1 98 98 PRO CD C 13 48.106 0.141 . 1 . . . A 98 PRO CD . 19433 1 1093 . 1 1 99 99 GLN H H 1 8.507 0.025 . 1 . . . A 99 GLN H . 19433 1 1094 . 1 1 99 99 GLN HA H 1 4.455 0.025 . 1 . . . A 99 GLN HA . 19433 1 1095 . 1 1 99 99 GLN HB2 H 1 1.968 0.025 . 2 . . . A 99 GLN HB2 . 19433 1 1096 . 1 1 99 99 GLN HB3 H 1 2.082 0.025 . 2 . . . A 99 GLN HB3 . 19433 1 1097 . 1 1 99 99 GLN HG2 H 1 2.327 0.025 . 2 . . . A 99 GLN QG . 19433 1 1098 . 1 1 99 99 GLN HG3 H 1 2.327 0.025 . 2 . . . A 99 GLN QG . 19433 1 1099 . 1 1 99 99 GLN HE21 H 1 6.995 0.025 . 2 . . . A 99 GLN HE21 . 19433 1 1100 . 1 1 99 99 GLN HE22 H 1 7.536 0.025 . 2 . . . A 99 GLN HE22 . 19433 1 1101 . 1 1 99 99 GLN CA C 13 52.620 0.141 . 1 . . . A 99 GLN CA . 19433 1 1102 . 1 1 99 99 GLN CB C 13 28.443 0.141 . 1 . . . A 99 GLN CB . 19433 1 1103 . 1 1 99 99 GLN CG C 13 31.505 0.141 . 1 . . . A 99 GLN CG . 19433 1 1104 . 1 1 99 99 GLN N N 15 121.028 0.102 . 1 . . . A 99 GLN N . 19433 1 1105 . 1 1 99 99 GLN NE2 N 15 113.418 0.102 . 1 . . . A 99 GLN NE2 . 19433 1 1106 . 1 1 100 100 GLY H H 1 8.356 0.025 . 1 . . . A 100 GLY H . 19433 1 1107 . 1 1 100 100 GLY HA2 H 1 3.916 0.025 . 2 . . . A 100 GLY HA2 . 19433 1 1108 . 1 1 100 100 GLY HA3 H 1 3.960 0.025 . 2 . . . A 100 GLY HA3 . 19433 1 1109 . 1 1 100 100 GLY CA C 13 42.628 0.141 . 1 . . . A 100 GLY CA . 19433 1 1110 . 1 1 100 100 GLY N N 15 110.029 0.102 . 1 . . . A 100 GLY N . 19433 1 1111 . 1 1 101 101 GLU H H 1 8.378 0.025 . 1 . . . A 101 GLU H . 19433 1 1112 . 1 1 101 101 GLU HA H 1 4.291 0.025 . 1 . . . A 101 GLU HA . 19433 1 1113 . 1 1 101 101 GLU HB2 H 1 2.004 0.025 . 2 . . . A 101 GLU QB . 19433 1 1114 . 1 1 101 101 GLU HB3 H 1 2.004 0.025 . 2 . . . A 101 GLU QB . 19433 1 1115 . 1 1 101 101 GLU HG2 H 1 2.210 0.025 . 2 . . . A 101 GLU QG . 19433 1 1116 . 1 1 101 101 GLU HG3 H 1 2.210 0.025 . 2 . . . A 101 GLU QG . 19433 1 1117 . 1 1 101 101 GLU CA C 13 53.751 0.141 . 1 . . . A 101 GLU CA . 19433 1 1118 . 1 1 101 101 GLU CB C 13 27.830 0.141 . 1 . . . A 101 GLU CB . 19433 1 1119 . 1 1 101 101 GLU CG C 13 33.615 0.141 . 1 . . . A 101 GLU CG . 19433 1 1120 . 1 1 101 101 GLU N N 15 120.385 0.102 . 1 . . . A 101 GLU N . 19433 1 1121 . 1 1 102 102 ILE H H 1 8.168 0.025 . 1 . . . A 102 ILE H . 19433 1 1122 . 1 1 102 102 ILE HA H 1 4.166 0.025 . 1 . . . A 102 ILE HA . 19433 1 1123 . 1 1 102 102 ILE HB H 1 1.818 0.025 . 1 . . . A 102 ILE HB . 19433 1 1124 . 1 1 102 102 ILE HG12 H 1 1.369 0.025 . 2 . . . A 102 ILE HG12 . 19433 1 1125 . 1 1 102 102 ILE HG13 H 1 1.070 0.025 . 2 . . . A 102 ILE HG13 . 19433 1 1126 . 1 1 102 102 ILE HG21 H 1 0.836 0.025 . 1 . . . A 102 ILE QG2 . 19433 1 1127 . 1 1 102 102 ILE HG22 H 1 0.836 0.025 . 1 . . . A 102 ILE QG2 . 19433 1 1128 . 1 1 102 102 ILE HG23 H 1 0.836 0.025 . 1 . . . A 102 ILE QG2 . 19433 1 1129 . 1 1 102 102 ILE HD11 H 1 0.774 0.025 . 1 . . . A 102 ILE QD1 . 19433 1 1130 . 1 1 102 102 ILE HD12 H 1 0.774 0.025 . 1 . . . A 102 ILE QD1 . 19433 1 1131 . 1 1 102 102 ILE HD13 H 1 0.774 0.025 . 1 . . . A 102 ILE QD1 . 19433 1 1132 . 1 1 102 102 ILE CA C 13 58.368 0.141 . 1 . . . A 102 ILE CA . 19433 1 1133 . 1 1 102 102 ILE CB C 13 36.713 0.141 . 1 . . . A 102 ILE CB . 19433 1 1134 . 1 1 102 102 ILE CG1 C 13 24.399 0.141 . 1 . . . A 102 ILE CG1 . 19433 1 1135 . 1 1 102 102 ILE CG2 C 13 15.081 0.141 . 1 . . . A 102 ILE CG2 . 19433 1 1136 . 1 1 102 102 ILE CD1 C 13 10.601 0.141 . 1 . . . A 102 ILE CD1 . 19433 1 1137 . 1 1 102 102 ILE N N 15 120.838 0.102 . 1 . . . A 102 ILE N . 19433 1 1138 . 1 1 103 103 ASP H H 1 7.898 0.025 . 1 . . . A 103 ASP H . 19433 1 1139 . 1 1 103 103 ASP HA H 1 4.306 0.025 . 1 . . . A 103 ASP HA . 19433 1 1140 . 1 1 103 103 ASP HB2 H 1 2.570 0.025 . 2 . . . A 103 ASP HB2 . 19433 1 1141 . 1 1 103 103 ASP HB3 H 1 2.484 0.025 . 2 . . . A 103 ASP HB3 . 19433 1 1142 . 1 1 103 103 ASP CA C 13 53.032 0.141 . 1 . . . A 103 ASP CA . 19433 1 1143 . 1 1 103 103 ASP CB C 13 39.618 0.141 . 1 . . . A 103 ASP CB . 19433 1 1144 . 1 1 103 103 ASP N N 15 129.090 0.102 . 1 . . . A 103 ASP N . 19433 1 stop_ save_