data_19453 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19453 _Entry.Title ; NMR structure of the protein ZP_02042476.1 from Ruminococcus gnavus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-27 _Entry.Accession_date 2013-08-27 _Entry.Last_release_date 2013-11-11 _Entry.Original_release_date 2013-11-11 _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 Bryan Martin . T. . 19453 2 Pedro Serrano . . . 19453 3 Michael Geralt . . . 19453 4 Samit Dutta . . . 19453 5 Kurt Wuthrich . . . 19453 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' . 19453 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Unknown Function' . 19453 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19453 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 19453 '15N chemical shifts' 108 19453 '1H chemical shifts' 688 19453 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-11-11 2013-08-26 original author . 19453 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19453 _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 ZP_02042476.1 from Ruminococcus gnavus.' _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 Bryan Martin . T. . 19453 1 2 Kurt Wuthrich . . . 19453 1 3 Pedro Serrano . . . 19453 1 4 Michael Geralt . . . 19453 1 5 Samit Dutta . K. . 19453 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19453 _Assembly.ID 1 _Assembly.Name SP17945A _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 SP17945A 1 $entity A . yes native no no . . . 19453 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19453 _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 ; PILPKAENVDSICIDFTNSI QKIYDDSESIQKILSEIATG KRTEKQSIQDYPSAEEYGTI NIENNGGMTTMFYYEENGKY YIECPYKGIYEIENNFEDMI ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11710.976 _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 2MCT . "Nmr Structure Of The Protein Zp_02042476.1 From Ruminococcus Gnavus" . . . . . 100.00 102 100.00 100.00 1.04e-63 . . . . 19453 1 2 no EMBL CCZ67861 . "putative uncharacterized protein [Ruminococcus gnavus CAG:126]" . . . . . 100.00 124 100.00 100.00 1.32e-63 . . . . 19453 1 3 no EMBL CUO51325 . "Uncharacterised protein [[Ruminococcus] gnavus]" . . . . . 100.00 124 100.00 100.00 1.32e-63 . . . . 19453 1 4 no GB EDN76176 . "hypothetical protein RUMGNA_03278 [Ruminococcus gnavus ATCC 29149]" . . . . . 100.00 124 100.00 100.00 1.32e-63 . . . . 19453 1 5 no GB EGN49208 . "hypothetical protein HMPREF0991_00999 [Lachnospiraceae bacterium 2_1_58FAA]" . . . . . 100.00 124 100.00 100.00 1.32e-63 . . . . 19453 1 6 no GB ETD16178 . "hypothetical protein HMPREF1201_02657 [Ruminococcus gnavus CC55_001C]" . . . . . 100.00 124 100.00 100.00 1.32e-63 . . . . 19453 1 7 no REF WP_004844251 . "hypothetical protein [[Ruminococcus] gnavus]" . . . . . 100.00 124 100.00 100.00 1.32e-63 . . . . 19453 1 8 no REF WP_024854441 . "hypothetical protein [[Ruminococcus] gnavus]" . . . . . 100.00 124 99.00 99.00 7.21e-63 . . . . 19453 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 3 PRO . 19453 1 2 4 ILE . 19453 1 3 5 LEU . 19453 1 4 6 PRO . 19453 1 5 7 LYS . 19453 1 6 8 ALA . 19453 1 7 9 GLU . 19453 1 8 10 ASN . 19453 1 9 11 VAL . 19453 1 10 12 ASP . 19453 1 11 13 SER . 19453 1 12 14 ILE . 19453 1 13 15 CYS . 19453 1 14 16 ILE . 19453 1 15 17 ASP . 19453 1 16 18 PHE . 19453 1 17 19 THR . 19453 1 18 20 ASN . 19453 1 19 21 SER . 19453 1 20 22 ILE . 19453 1 21 23 GLN . 19453 1 22 24 LYS . 19453 1 23 25 ILE . 19453 1 24 26 TYR . 19453 1 25 27 ASP . 19453 1 26 28 ASP . 19453 1 27 29 SER . 19453 1 28 30 GLU . 19453 1 29 31 SER . 19453 1 30 32 ILE . 19453 1 31 33 GLN . 19453 1 32 34 LYS . 19453 1 33 35 ILE . 19453 1 34 36 LEU . 19453 1 35 37 SER . 19453 1 36 38 GLU . 19453 1 37 39 ILE . 19453 1 38 40 ALA . 19453 1 39 41 THR . 19453 1 40 42 GLY . 19453 1 41 43 LYS . 19453 1 42 44 ARG . 19453 1 43 45 THR . 19453 1 44 46 GLU . 19453 1 45 47 LYS . 19453 1 46 48 GLN . 19453 1 47 49 SER . 19453 1 48 50 ILE . 19453 1 49 51 GLN . 19453 1 50 52 ASP . 19453 1 51 53 TYR . 19453 1 52 54 PRO . 19453 1 53 55 SER . 19453 1 54 56 ALA . 19453 1 55 57 GLU . 19453 1 56 58 GLU . 19453 1 57 59 TYR . 19453 1 58 60 GLY . 19453 1 59 61 THR . 19453 1 60 62 ILE . 19453 1 61 63 ASN . 19453 1 62 64 ILE . 19453 1 63 65 GLU . 19453 1 64 66 ASN . 19453 1 65 67 ASN . 19453 1 66 68 GLY . 19453 1 67 69 GLY . 19453 1 68 70 MET . 19453 1 69 71 THR . 19453 1 70 72 THR . 19453 1 71 73 MET . 19453 1 72 74 PHE . 19453 1 73 75 TYR . 19453 1 74 76 TYR . 19453 1 75 77 GLU . 19453 1 76 78 GLU . 19453 1 77 79 ASN . 19453 1 78 80 GLY . 19453 1 79 81 LYS . 19453 1 80 82 TYR . 19453 1 81 83 TYR . 19453 1 82 84 ILE . 19453 1 83 85 GLU . 19453 1 84 86 CYS . 19453 1 85 87 PRO . 19453 1 86 88 TYR . 19453 1 87 89 LYS . 19453 1 88 90 GLY . 19453 1 89 91 ILE . 19453 1 90 92 TYR . 19453 1 91 93 GLU . 19453 1 92 94 ILE . 19453 1 93 95 GLU . 19453 1 94 96 ASN . 19453 1 95 97 ASN . 19453 1 96 98 PHE . 19453 1 97 99 GLU . 19453 1 98 100 ASP . 19453 1 99 101 MET . 19453 1 100 102 ILE . 19453 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 . PRO 1 1 19453 1 . ILE 2 2 19453 1 . LEU 3 3 19453 1 . PRO 4 4 19453 1 . LYS 5 5 19453 1 . ALA 6 6 19453 1 . GLU 7 7 19453 1 . ASN 8 8 19453 1 . VAL 9 9 19453 1 . ASP 10 10 19453 1 . SER 11 11 19453 1 . ILE 12 12 19453 1 . CYS 13 13 19453 1 . ILE 14 14 19453 1 . ASP 15 15 19453 1 . PHE 16 16 19453 1 . THR 17 17 19453 1 . ASN 18 18 19453 1 . SER 19 19 19453 1 . ILE 20 20 19453 1 . GLN 21 21 19453 1 . LYS 22 22 19453 1 . ILE 23 23 19453 1 . TYR 24 24 19453 1 . ASP 25 25 19453 1 . ASP 26 26 19453 1 . SER 27 27 19453 1 . GLU 28 28 19453 1 . SER 29 29 19453 1 . ILE 30 30 19453 1 . GLN 31 31 19453 1 . LYS 32 32 19453 1 . ILE 33 33 19453 1 . LEU 34 34 19453 1 . SER 35 35 19453 1 . GLU 36 36 19453 1 . ILE 37 37 19453 1 . ALA 38 38 19453 1 . THR 39 39 19453 1 . GLY 40 40 19453 1 . LYS 41 41 19453 1 . ARG 42 42 19453 1 . THR 43 43 19453 1 . GLU 44 44 19453 1 . LYS 45 45 19453 1 . GLN 46 46 19453 1 . SER 47 47 19453 1 . ILE 48 48 19453 1 . GLN 49 49 19453 1 . ASP 50 50 19453 1 . TYR 51 51 19453 1 . PRO 52 52 19453 1 . SER 53 53 19453 1 . ALA 54 54 19453 1 . GLU 55 55 19453 1 . GLU 56 56 19453 1 . TYR 57 57 19453 1 . GLY 58 58 19453 1 . THR 59 59 19453 1 . ILE 60 60 19453 1 . ASN 61 61 19453 1 . ILE 62 62 19453 1 . GLU 63 63 19453 1 . ASN 64 64 19453 1 . ASN 65 65 19453 1 . GLY 66 66 19453 1 . GLY 67 67 19453 1 . MET 68 68 19453 1 . THR 69 69 19453 1 . THR 70 70 19453 1 . MET 71 71 19453 1 . PHE 72 72 19453 1 . TYR 73 73 19453 1 . TYR 74 74 19453 1 . GLU 75 75 19453 1 . GLU 76 76 19453 1 . ASN 77 77 19453 1 . GLY 78 78 19453 1 . LYS 79 79 19453 1 . TYR 80 80 19453 1 . TYR 81 81 19453 1 . ILE 82 82 19453 1 . GLU 83 83 19453 1 . CYS 84 84 19453 1 . PRO 85 85 19453 1 . TYR 86 86 19453 1 . LYS 87 87 19453 1 . GLY 88 88 19453 1 . ILE 89 89 19453 1 . TYR 90 90 19453 1 . GLU 91 91 19453 1 . ILE 92 92 19453 1 . GLU 93 93 19453 1 . ASN 94 94 19453 1 . ASN 95 95 19453 1 . PHE 96 96 19453 1 . GLU 97 97 19453 1 . ASP 98 98 19453 1 . MET 99 99 19453 1 . ILE 100 100 19453 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 19453 _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 . 33038 organism . 'Ruminococcus gnavus' firmicutes . . Bacteria Firmicutes Ruminococcus gnavus 'ATCC 29149' . . . . . . . . . . . . . . . . . . . . 19453 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 19453 _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 BL21(DE3) . . . . . . . . . . . . . . . pSpeedET . . . . . . 19453 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19453 _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 . . . . 19453 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19453 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19453 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19453 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19453 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19453 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 19453 _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 19453 1 pH 6.0 . pH 19453 1 pressure 1 . atm 19453 1 temperature 298 . K 19453 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19453 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert, P.' . . 19453 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19453 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19453 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19453 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19453 2 'data analysis' 19453 2 processing 19453 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19453 _Software.ID 3 _Software.Name UNIO _Software.Version 2010 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann ann Wuthrich' . . 19453 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19453 3 'peak picking' 19453 3 'structure solution' 19453 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19453 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19453 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19453 4 'peak picking' 19453 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19453 _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 19453 _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 19453 _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 . . . 19453 1 2 spectrometer_2 Bruker Avance . 800 . . . 19453 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 19453 _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 . . . . . . . . . . . . . . . . . . . . . 19453 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19453 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19453 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19453 1 5 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19453 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19453 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19453 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 19453 _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 . . . . . . . . . 19453 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19453 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19453 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 19453 _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' . . . 19453 1 2 '3D 1H-13C NOESY aromatic' . . . 19453 1 3 '3D 1H-13C NOESY aliphatic' . . . 19453 1 4 '3D 1H-15N NOESY' . . . 19453 1 5 'APSY 4D-HACANH' . . . 19453 1 6 'APSY 5D-CBCACONH' . . . 19453 1 7 'APSY 5D-HACACONH' . . . 19453 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 1 1 PRO HA H 1 3.776 0.0064 . . . . . A 3 PRO HA . 19453 1 2 . 1 1 1 1 PRO HB2 H 1 1.442 0.0064 . . . . . A 3 PRO HB2 . 19453 1 3 . 1 1 1 1 PRO HB3 H 1 1.069 0.0064 . . . . . A 3 PRO HB3 . 19453 1 4 . 1 1 1 1 PRO HG2 H 1 0.178 0.0064 . . . . . A 3 PRO QG . 19453 1 5 . 1 1 1 1 PRO HG3 H 1 0.178 0.0064 . . . . . A 3 PRO QG . 19453 1 6 . 1 1 1 1 PRO HD2 H 1 3.187 0.0064 . . . . . A 3 PRO HD2 . 19453 1 7 . 1 1 1 1 PRO HD3 H 1 3.256 0.0064 . . . . . A 3 PRO HD3 . 19453 1 8 . 1 1 1 1 PRO CA C 13 62.923 0.1484 . . . . . A 3 PRO CA . 19453 1 9 . 1 1 1 1 PRO CB C 13 31.156 0.1484 . . . . . A 3 PRO CB . 19453 1 10 . 1 1 1 1 PRO CG C 13 25.803 0.1484 . . . . . A 3 PRO CG . 19453 1 11 . 1 1 1 1 PRO CD C 13 50.321 0.1484 . . . . . A 3 PRO CD . 19453 1 12 . 1 1 2 2 ILE H H 1 8.067 0.0064 . . . . . A 4 ILE H . 19453 1 13 . 1 1 2 2 ILE HA H 1 3.926 0.0064 . . . . . A 4 ILE HA . 19453 1 14 . 1 1 2 2 ILE HB H 1 1.750 0.0064 . . . . . A 4 ILE HB . 19453 1 15 . 1 1 2 2 ILE HG12 H 1 1.508 0.0064 . . . . . A 4 ILE HG12 . 19453 1 16 . 1 1 2 2 ILE HG13 H 1 1.228 0.0064 . . . . . A 4 ILE HG13 . 19453 1 17 . 1 1 2 2 ILE HG21 H 1 0.765 0.0064 . . . . . A 4 ILE QG2 . 19453 1 18 . 1 1 2 2 ILE HG22 H 1 0.765 0.0064 . . . . . A 4 ILE QG2 . 19453 1 19 . 1 1 2 2 ILE HG23 H 1 0.765 0.0064 . . . . . A 4 ILE QG2 . 19453 1 20 . 1 1 2 2 ILE HD11 H 1 0.818 0.0064 . . . . . A 4 ILE QD1 . 19453 1 21 . 1 1 2 2 ILE HD12 H 1 0.818 0.0064 . . . . . A 4 ILE QD1 . 19453 1 22 . 1 1 2 2 ILE HD13 H 1 0.818 0.0064 . . . . . A 4 ILE QD1 . 19453 1 23 . 1 1 2 2 ILE CA C 13 61.038 0.1484 . . . . . A 4 ILE CA . 19453 1 24 . 1 1 2 2 ILE CB C 13 36.581 0.1484 . . . . . A 4 ILE CB . 19453 1 25 . 1 1 2 2 ILE CG1 C 13 27.324 0.1484 . . . . . A 4 ILE CG1 . 19453 1 26 . 1 1 2 2 ILE CG2 C 13 17.173 0.1484 . . . . . A 4 ILE CG2 . 19453 1 27 . 1 1 2 2 ILE CD1 C 13 11.908 0.1484 . . . . . A 4 ILE CD1 . 19453 1 28 . 1 1 2 2 ILE N N 15 122.637 0.0254 . . . . . A 4 ILE N . 19453 1 29 . 1 1 3 3 LEU H H 1 8.154 0.0064 . . . . . A 5 LEU H . 19453 1 30 . 1 1 3 3 LEU HA H 1 4.714 0.0064 . . . . . A 5 LEU HA . 19453 1 31 . 1 1 3 3 LEU HB2 H 1 1.423 0.0064 . . . . . A 5 LEU HB2 . 19453 1 32 . 1 1 3 3 LEU HB3 H 1 1.308 0.0064 . . . . . A 5 LEU HB3 . 19453 1 33 . 1 1 3 3 LEU HG H 1 1.312 0.0064 . . . . . A 5 LEU HG . 19453 1 34 . 1 1 3 3 LEU HD21 H 1 0.769 0.0064 . . . . . A 5 LEU QD2 . 19453 1 35 . 1 1 3 3 LEU HD22 H 1 0.769 0.0064 . . . . . A 5 LEU QD2 . 19453 1 36 . 1 1 3 3 LEU HD23 H 1 0.769 0.0064 . . . . . A 5 LEU QD2 . 19453 1 37 . 1 1 3 3 LEU CA C 13 51.060 0.1484 . . . . . A 5 LEU CA . 19453 1 38 . 1 1 3 3 LEU CB C 13 44.650 0.1484 . . . . . A 5 LEU CB . 19453 1 39 . 1 1 3 3 LEU CG C 13 26.058 0.1484 . . . . . A 5 LEU CG . 19453 1 40 . 1 1 3 3 LEU CD1 C 13 21.565 0.1484 . . . . . A 5 LEU CD1 . 19453 1 41 . 1 1 3 3 LEU CD2 C 13 26.034 0.1484 . . . . . A 5 LEU CD2 . 19453 1 42 . 1 1 3 3 LEU N N 15 127.924 0.0254 . . . . . A 5 LEU N . 19453 1 43 . 1 1 4 4 PRO HA H 1 4.421 0.0064 . . . . . A 6 PRO HA . 19453 1 44 . 1 1 4 4 PRO HB2 H 1 2.035 0.0064 . . . . . A 6 PRO HB2 . 19453 1 45 . 1 1 4 4 PRO HB3 H 1 1.577 0.0064 . . . . . A 6 PRO HB3 . 19453 1 46 . 1 1 4 4 PRO HG2 H 1 1.656 0.0064 . . . . . A 6 PRO HG2 . 19453 1 47 . 1 1 4 4 PRO HG3 H 1 1.526 0.0064 . . . . . A 6 PRO HG3 . 19453 1 48 . 1 1 4 4 PRO HD2 H 1 3.189 0.0064 . . . . . A 6 PRO HD2 . 19453 1 49 . 1 1 4 4 PRO HD3 H 1 3.657 0.0064 . . . . . A 6 PRO HD3 . 19453 1 50 . 1 1 4 4 PRO CA C 13 61.034 0.1484 . . . . . A 6 PRO CA . 19453 1 51 . 1 1 4 4 PRO CB C 13 31.516 0.1484 . . . . . A 6 PRO CB . 19453 1 52 . 1 1 4 4 PRO CG C 13 26.966 0.1484 . . . . . A 6 PRO CG . 19453 1 53 . 1 1 4 4 PRO CD C 13 49.051 0.1484 . . . . . A 6 PRO CD . 19453 1 54 . 1 1 5 5 LYS H H 1 8.369 0.0064 . . . . . A 7 LYS H . 19453 1 55 . 1 1 5 5 LYS HA H 1 4.033 0.0064 . . . . . A 7 LYS HA . 19453 1 56 . 1 1 5 5 LYS HB2 H 1 1.905 0.0064 . . . . . A 7 LYS HB2 . 19453 1 57 . 1 1 5 5 LYS HB3 H 1 1.608 0.0064 . . . . . A 7 LYS HB3 . 19453 1 58 . 1 1 5 5 LYS HG2 H 1 1.433 0.0064 . . . . . A 7 LYS HG2 . 19453 1 59 . 1 1 5 5 LYS HG3 H 1 1.530 0.0064 . . . . . A 7 LYS HG3 . 19453 1 60 . 1 1 5 5 LYS HD3 H 1 1.631 0.0064 . . . . . A 7 LYS HD3 . 19453 1 61 . 1 1 5 5 LYS HE3 H 1 2.951 0.0064 . . . . . A 7 LYS HE3 . 19453 1 62 . 1 1 5 5 LYS CA C 13 55.735 0.1484 . . . . . A 7 LYS CA . 19453 1 63 . 1 1 5 5 LYS CB C 13 32.404 0.1484 . . . . . A 7 LYS CB . 19453 1 64 . 1 1 5 5 LYS CG C 13 24.952 0.1484 . . . . . A 7 LYS CG . 19453 1 65 . 1 1 5 5 LYS CD C 13 28.876 0.1484 . . . . . A 7 LYS CD . 19453 1 66 . 1 1 5 5 LYS CE C 13 41.887 0.1484 . . . . . A 7 LYS CE . 19453 1 67 . 1 1 5 5 LYS N N 15 118.478 0.0254 . . . . . A 7 LYS N . 19453 1 68 . 1 1 6 6 ALA H H 1 8.655 0.0064 . . . . . A 8 ALA H . 19453 1 69 . 1 1 6 6 ALA HA H 1 3.534 0.0064 . . . . . A 8 ALA HA . 19453 1 70 . 1 1 6 6 ALA HB1 H 1 1.322 0.0064 . . . . . A 8 ALA QB . 19453 1 71 . 1 1 6 6 ALA HB2 H 1 1.322 0.0064 . . . . . A 8 ALA QB . 19453 1 72 . 1 1 6 6 ALA HB3 H 1 1.322 0.0064 . . . . . A 8 ALA QB . 19453 1 73 . 1 1 6 6 ALA CA C 13 55.504 0.1484 . . . . . A 8 ALA CA . 19453 1 74 . 1 1 6 6 ALA CB C 13 18.219 0.1484 . . . . . A 8 ALA CB . 19453 1 75 . 1 1 6 6 ALA N N 15 124.542 0.0254 . . . . . A 8 ALA N . 19453 1 76 . 1 1 7 7 GLU H H 1 9.191 0.0064 . . . . . A 9 GLU H . 19453 1 77 . 1 1 7 7 GLU HA H 1 4.116 0.0064 . . . . . A 9 GLU HA . 19453 1 78 . 1 1 7 7 GLU HB2 H 1 1.973 0.0064 . . . . . A 9 GLU QB . 19453 1 79 . 1 1 7 7 GLU HB3 H 1 1.973 0.0064 . . . . . A 9 GLU QB . 19453 1 80 . 1 1 7 7 GLU HG2 H 1 2.158 0.0064 . . . . . A 9 GLU HG2 . 19453 1 81 . 1 1 7 7 GLU HG3 H 1 2.100 0.0064 . . . . . A 9 GLU HG3 . 19453 1 82 . 1 1 7 7 GLU CA C 13 57.919 0.1484 . . . . . A 9 GLU CA . 19453 1 83 . 1 1 7 7 GLU CB C 13 28.233 0.1484 . . . . . A 9 GLU CB . 19453 1 84 . 1 1 7 7 GLU CG C 13 35.505 0.1484 . . . . . A 9 GLU CG . 19453 1 85 . 1 1 7 7 GLU N N 15 113.430 0.0254 . . . . . A 9 GLU N . 19453 1 86 . 1 1 8 8 ASN H H 1 7.923 0.0064 . . . . . A 10 ASN H . 19453 1 87 . 1 1 8 8 ASN HA H 1 4.986 0.0064 . . . . . A 10 ASN HA . 19453 1 88 . 1 1 8 8 ASN HB2 H 1 3.187 0.0064 . . . . . A 10 ASN HB2 . 19453 1 89 . 1 1 8 8 ASN HB3 H 1 2.523 0.0064 . . . . . A 10 ASN HB3 . 19453 1 90 . 1 1 8 8 ASN HD21 H 1 7.015 0.0064 . . . . . A 10 ASN HD21 . 19453 1 91 . 1 1 8 8 ASN HD22 H 1 7.721 0.0064 . . . . . A 10 ASN HD22 . 19453 1 92 . 1 1 8 8 ASN CA C 13 52.438 0.1484 . . . . . A 10 ASN CA . 19453 1 93 . 1 1 8 8 ASN CB C 13 40.067 0.1484 . . . . . A 10 ASN CB . 19453 1 94 . 1 1 8 8 ASN N N 15 115.817 0.0254 . . . . . A 10 ASN N . 19453 1 95 . 1 1 8 8 ASN ND2 N 15 110.079 0.0254 . . . . . A 10 ASN ND2 . 19453 1 96 . 1 1 9 9 VAL H H 1 7.531 0.0064 . . . . . A 11 VAL H . 19453 1 97 . 1 1 9 9 VAL HA H 1 4.218 0.0064 . . . . . A 11 VAL HA . 19453 1 98 . 1 1 9 9 VAL HB H 1 2.148 0.0064 . . . . . A 11 VAL HB . 19453 1 99 . 1 1 9 9 VAL HG11 H 1 0.838 0.0064 . . . . . A 11 VAL QG1 . 19453 1 100 . 1 1 9 9 VAL HG12 H 1 0.838 0.0064 . . . . . A 11 VAL QG1 . 19453 1 101 . 1 1 9 9 VAL HG13 H 1 0.838 0.0064 . . . . . A 11 VAL QG1 . 19453 1 102 . 1 1 9 9 VAL HG21 H 1 0.699 0.0064 . . . . . A 11 VAL QG2 . 19453 1 103 . 1 1 9 9 VAL HG22 H 1 0.699 0.0064 . . . . . A 11 VAL QG2 . 19453 1 104 . 1 1 9 9 VAL HG23 H 1 0.699 0.0064 . . . . . A 11 VAL QG2 . 19453 1 105 . 1 1 9 9 VAL CA C 13 61.805 0.1484 . . . . . A 11 VAL CA . 19453 1 106 . 1 1 9 9 VAL CB C 13 32.203 0.1484 . . . . . A 11 VAL CB . 19453 1 107 . 1 1 9 9 VAL CG1 C 13 23.266 0.1484 . . . . . A 11 VAL CG1 . 19453 1 108 . 1 1 9 9 VAL CG2 C 13 22.844 0.1484 . . . . . A 11 VAL CG2 . 19453 1 109 . 1 1 9 9 VAL N N 15 120.758 0.0254 . . . . . A 11 VAL N . 19453 1 110 . 1 1 10 10 ASP H H 1 8.461 0.0064 . . . . . A 12 ASP H . 19453 1 111 . 1 1 10 10 ASP HA H 1 4.555 0.0064 . . . . . A 12 ASP HA . 19453 1 112 . 1 1 10 10 ASP HB2 H 1 2.642 0.0064 . . . . . A 12 ASP HB2 . 19453 1 113 . 1 1 10 10 ASP HB3 H 1 2.223 0.0064 . . . . . A 12 ASP HB3 . 19453 1 114 . 1 1 10 10 ASP CA C 13 55.918 0.1484 . . . . . A 12 ASP CA . 19453 1 115 . 1 1 10 10 ASP CB C 13 42.978 0.1484 . . . . . A 12 ASP CB . 19453 1 116 . 1 1 10 10 ASP N N 15 125.624 0.0254 . . . . . A 12 ASP N . 19453 1 117 . 1 1 11 11 SER H H 1 7.496 0.0064 . . . . . A 13 SER H . 19453 1 118 . 1 1 11 11 SER HA H 1 4.787 0.0064 . . . . . A 13 SER HA . 19453 1 119 . 1 1 11 11 SER HB2 H 1 3.588 0.0064 . . . . . A 13 SER HB2 . 19453 1 120 . 1 1 11 11 SER HB3 H 1 4.081 0.0064 . . . . . A 13 SER HB3 . 19453 1 121 . 1 1 11 11 SER CA C 13 58.302 0.1484 . . . . . A 13 SER CA . 19453 1 122 . 1 1 11 11 SER CB C 13 64.575 0.1484 . . . . . A 13 SER CB . 19453 1 123 . 1 1 11 11 SER N N 15 108.535 0.0254 . . . . . A 13 SER N . 19453 1 124 . 1 1 12 12 ILE H H 1 8.938 0.0064 . . . . . A 14 ILE H . 19453 1 125 . 1 1 12 12 ILE HA H 1 4.908 0.0064 . . . . . A 14 ILE HA . 19453 1 126 . 1 1 12 12 ILE HB H 1 1.656 0.0064 . . . . . A 14 ILE HB . 19453 1 127 . 1 1 12 12 ILE HG12 H 1 1.006 0.0064 . . . . . A 14 ILE HG12 . 19453 1 128 . 1 1 12 12 ILE HG13 H 1 1.700 0.0064 . . . . . A 14 ILE HG13 . 19453 1 129 . 1 1 12 12 ILE HG21 H 1 0.806 0.0064 . . . . . A 14 ILE QG2 . 19453 1 130 . 1 1 12 12 ILE HG22 H 1 0.806 0.0064 . . . . . A 14 ILE QG2 . 19453 1 131 . 1 1 12 12 ILE HG23 H 1 0.806 0.0064 . . . . . A 14 ILE QG2 . 19453 1 132 . 1 1 12 12 ILE HD11 H 1 0.800 0.0064 . . . . . A 14 ILE QD1 . 19453 1 133 . 1 1 12 12 ILE HD12 H 1 0.800 0.0064 . . . . . A 14 ILE QD1 . 19453 1 134 . 1 1 12 12 ILE HD13 H 1 0.800 0.0064 . . . . . A 14 ILE QD1 . 19453 1 135 . 1 1 12 12 ILE CA C 13 60.686 0.1484 . . . . . A 14 ILE CA . 19453 1 136 . 1 1 12 12 ILE CB C 13 41.713 0.1484 . . . . . A 14 ILE CB . 19453 1 137 . 1 1 12 12 ILE CG1 C 13 28.367 0.1484 . . . . . A 14 ILE CG1 . 19453 1 138 . 1 1 12 12 ILE CG2 C 13 17.221 0.1484 . . . . . A 14 ILE CG2 . 19453 1 139 . 1 1 12 12 ILE CD1 C 13 14.619 0.1484 . . . . . A 14 ILE CD1 . 19453 1 140 . 1 1 12 12 ILE N N 15 118.240 0.0254 . . . . . A 14 ILE N . 19453 1 141 . 1 1 13 13 CYS H H 1 9.249 0.0064 . . . . . A 15 CYS H . 19453 1 142 . 1 1 13 13 CYS HA H 1 5.399 0.0064 . . . . . A 15 CYS HA . 19453 1 143 . 1 1 13 13 CYS HB2 H 1 2.814 0.0064 . . . . . A 15 CYS HB2 . 19453 1 144 . 1 1 13 13 CYS HB3 H 1 2.892 0.0064 . . . . . A 15 CYS HB3 . 19453 1 145 . 1 1 13 13 CYS CA C 13 56.308 0.1484 . . . . . A 15 CYS CA . 19453 1 146 . 1 1 13 13 CYS CB C 13 28.300 0.1484 . . . . . A 15 CYS CB . 19453 1 147 . 1 1 13 13 CYS N N 15 128.109 0.0254 . . . . . A 15 CYS N . 19453 1 148 . 1 1 14 14 ILE H H 1 9.532 0.0064 . . . . . A 16 ILE H . 19453 1 149 . 1 1 14 14 ILE HA H 1 5.140 0.0064 . . . . . A 16 ILE HA . 19453 1 150 . 1 1 14 14 ILE HB H 1 1.833 0.0064 . . . . . A 16 ILE HB . 19453 1 151 . 1 1 14 14 ILE HG12 H 1 1.753 0.0064 . . . . . A 16 ILE HG12 . 19453 1 152 . 1 1 14 14 ILE HG13 H 1 1.031 0.0064 . . . . . A 16 ILE HG13 . 19453 1 153 . 1 1 14 14 ILE HG21 H 1 0.366 0.0064 . . . . . A 16 ILE QG2 . 19453 1 154 . 1 1 14 14 ILE HG22 H 1 0.366 0.0064 . . . . . A 16 ILE QG2 . 19453 1 155 . 1 1 14 14 ILE HG23 H 1 0.366 0.0064 . . . . . A 16 ILE QG2 . 19453 1 156 . 1 1 14 14 ILE HD11 H 1 0.856 0.0064 . . . . . A 16 ILE QD1 . 19453 1 157 . 1 1 14 14 ILE HD12 H 1 0.856 0.0064 . . . . . A 16 ILE QD1 . 19453 1 158 . 1 1 14 14 ILE HD13 H 1 0.856 0.0064 . . . . . A 16 ILE QD1 . 19453 1 159 . 1 1 14 14 ILE CA C 13 59.868 0.1484 . . . . . A 16 ILE CA . 19453 1 160 . 1 1 14 14 ILE CB C 13 40.320 0.1484 . . . . . A 16 ILE CB . 19453 1 161 . 1 1 14 14 ILE CG1 C 13 28.349 0.1484 . . . . . A 16 ILE CG1 . 19453 1 162 . 1 1 14 14 ILE CG2 C 13 16.445 0.1484 . . . . . A 16 ILE CG2 . 19453 1 163 . 1 1 14 14 ILE CD1 C 13 13.274 0.1484 . . . . . A 16 ILE CD1 . 19453 1 164 . 1 1 14 14 ILE N N 15 130.224 0.0254 . . . . . A 16 ILE N . 19453 1 165 . 1 1 15 15 ASP H H 1 9.131 0.0064 . . . . . A 17 ASP H . 19453 1 166 . 1 1 15 15 ASP HA H 1 5.224 0.0064 . . . . . A 17 ASP HA . 19453 1 167 . 1 1 15 15 ASP HB2 H 1 2.761 0.0064 . . . . . A 17 ASP HB2 . 19453 1 168 . 1 1 15 15 ASP HB3 H 1 2.661 0.0064 . . . . . A 17 ASP HB3 . 19453 1 169 . 1 1 15 15 ASP CA C 13 52.928 0.1484 . . . . . A 17 ASP CA . 19453 1 170 . 1 1 15 15 ASP CB C 13 41.752 0.1484 . . . . . A 17 ASP CB . 19453 1 171 . 1 1 15 15 ASP N N 15 127.172 0.0254 . . . . . A 17 ASP N . 19453 1 172 . 1 1 16 16 PHE H H 1 8.952 0.0064 . . . . . A 18 PHE H . 19453 1 173 . 1 1 16 16 PHE HA H 1 5.102 0.0064 . . . . . A 18 PHE HA . 19453 1 174 . 1 1 16 16 PHE HB2 H 1 3.421 0.0064 . . . . . A 18 PHE HB2 . 19453 1 175 . 1 1 16 16 PHE HB3 H 1 3.354 0.0064 . . . . . A 18 PHE HB3 . 19453 1 176 . 1 1 16 16 PHE HD1 H 1 7.522 0.0064 . . . . . A 18 PHE QD . 19453 1 177 . 1 1 16 16 PHE HD2 H 1 7.522 0.0064 . . . . . A 18 PHE QD . 19453 1 178 . 1 1 16 16 PHE HE1 H 1 7.310 0.0064 . . . . . A 18 PHE HE1 . 19453 1 179 . 1 1 16 16 PHE CA C 13 57.679 0.1484 . . . . . A 18 PHE CA . 19453 1 180 . 1 1 16 16 PHE CB C 13 40.100 0.1484 . . . . . A 18 PHE CB . 19453 1 181 . 1 1 16 16 PHE CD1 C 13 134.480 0.1484 . . . . . A 18 PHE CD1 . 19453 1 182 . 1 1 16 16 PHE CE1 C 13 132.681 0.1484 . . . . . A 18 PHE CE1 . 19453 1 183 . 1 1 16 16 PHE N N 15 120.740 0.0254 . . . . . A 18 PHE N . 19453 1 184 . 1 1 17 17 THR H H 1 9.272 0.0064 . . . . . A 19 THR H . 19453 1 185 . 1 1 17 17 THR HA H 1 3.886 0.0064 . . . . . A 19 THR HA . 19453 1 186 . 1 1 17 17 THR HB H 1 4.262 0.0064 . . . . . A 19 THR HB . 19453 1 187 . 1 1 17 17 THR HG21 H 1 1.230 0.0064 . . . . . A 19 THR QG2 . 19453 1 188 . 1 1 17 17 THR HG22 H 1 1.230 0.0064 . . . . . A 19 THR QG2 . 19453 1 189 . 1 1 17 17 THR HG23 H 1 1.230 0.0064 . . . . . A 19 THR QG2 . 19453 1 190 . 1 1 17 17 THR CA C 13 65.113 0.1484 . . . . . A 19 THR CA . 19453 1 191 . 1 1 17 17 THR CB C 13 68.774 0.1484 . . . . . A 19 THR CB . 19453 1 192 . 1 1 17 17 THR CG2 C 13 21.803 0.1484 . . . . . A 19 THR CG2 . 19453 1 193 . 1 1 17 17 THR N N 15 114.091 0.0254 . . . . . A 19 THR N . 19453 1 194 . 1 1 18 18 ASN H H 1 8.040 0.0064 . . . . . A 20 ASN H . 19453 1 195 . 1 1 18 18 ASN HA H 1 4.702 0.0064 . . . . . A 20 ASN HA . 19453 1 196 . 1 1 18 18 ASN HB2 H 1 2.803 0.0064 . . . . . A 20 ASN HB2 . 19453 1 197 . 1 1 18 18 ASN HB3 H 1 3.158 0.0064 . . . . . A 20 ASN HB3 . 19453 1 198 . 1 1 18 18 ASN HD21 H 1 6.322 0.0064 . . . . . A 20 ASN HD21 . 19453 1 199 . 1 1 18 18 ASN HD22 H 1 7.355 0.0064 . . . . . A 20 ASN HD22 . 19453 1 200 . 1 1 18 18 ASN CA C 13 52.387 0.1484 . . . . . A 20 ASN CA . 19453 1 201 . 1 1 18 18 ASN CB C 13 37.104 0.1484 . . . . . A 20 ASN CB . 19453 1 202 . 1 1 18 18 ASN N N 15 117.195 0.0254 . . . . . A 20 ASN N . 19453 1 203 . 1 1 18 18 ASN ND2 N 15 107.560 0.0254 . . . . . A 20 ASN ND2 . 19453 1 204 . 1 1 19 19 SER H H 1 8.068 0.0064 . . . . . A 21 SER H . 19453 1 205 . 1 1 19 19 SER HA H 1 4.167 0.0064 . . . . . A 21 SER HA . 19453 1 206 . 1 1 19 19 SER HB2 H 1 4.752 0.0064 . . . . . A 21 SER HB2 . 19453 1 207 . 1 1 19 19 SER HB3 H 1 4.010 0.0064 . . . . . A 21 SER HB3 . 19453 1 208 . 1 1 19 19 SER CA C 13 60.460 0.1484 . . . . . A 21 SER CA . 19453 1 209 . 1 1 19 19 SER CB C 13 61.844 0.1484 . . . . . A 21 SER CB . 19453 1 210 . 1 1 19 19 SER N N 15 109.771 0.0254 . . . . . A 21 SER N . 19453 1 211 . 1 1 20 20 ILE H H 1 7.562 0.0064 . . . . . A 22 ILE H . 19453 1 212 . 1 1 20 20 ILE HA H 1 4.143 0.0064 . . . . . A 22 ILE HA . 19453 1 213 . 1 1 20 20 ILE HB H 1 1.943 0.0064 . . . . . A 22 ILE HB . 19453 1 214 . 1 1 20 20 ILE HG12 H 1 1.344 0.0064 . . . . . A 22 ILE HG12 . 19453 1 215 . 1 1 20 20 ILE HG13 H 1 1.146 0.0064 . . . . . A 22 ILE HG13 . 19453 1 216 . 1 1 20 20 ILE HG21 H 1 0.807 0.0064 . . . . . A 22 ILE QG2 . 19453 1 217 . 1 1 20 20 ILE HG22 H 1 0.807 0.0064 . . . . . A 22 ILE QG2 . 19453 1 218 . 1 1 20 20 ILE HG23 H 1 0.807 0.0064 . . . . . A 22 ILE QG2 . 19453 1 219 . 1 1 20 20 ILE HD11 H 1 0.723 0.0064 . . . . . A 22 ILE QD1 . 19453 1 220 . 1 1 20 20 ILE HD12 H 1 0.723 0.0064 . . . . . A 22 ILE QD1 . 19453 1 221 . 1 1 20 20 ILE HD13 H 1 0.723 0.0064 . . . . . A 22 ILE QD1 . 19453 1 222 . 1 1 20 20 ILE CA C 13 60.770 0.1484 . . . . . A 22 ILE CA . 19453 1 223 . 1 1 20 20 ILE CB C 13 37.900 0.1484 . . . . . A 22 ILE CB . 19453 1 224 . 1 1 20 20 ILE CG1 C 13 27.622 0.1484 . . . . . A 22 ILE CG1 . 19453 1 225 . 1 1 20 20 ILE CG2 C 13 17.401 0.1484 . . . . . A 22 ILE CG2 . 19453 1 226 . 1 1 20 20 ILE CD1 C 13 11.922 0.1484 . . . . . A 22 ILE CD1 . 19453 1 227 . 1 1 20 20 ILE N N 15 121.777 0.0254 . . . . . A 22 ILE N . 19453 1 228 . 1 1 21 21 GLN H H 1 8.420 0.0064 . . . . . A 23 GLN H . 19453 1 229 . 1 1 21 21 GLN HA H 1 5.777 0.0064 . . . . . A 23 GLN HA . 19453 1 230 . 1 1 21 21 GLN HB2 H 1 2.024 0.0064 . . . . . A 23 GLN HB2 . 19453 1 231 . 1 1 21 21 GLN HB3 H 1 1.939 0.0064 . . . . . A 23 GLN HB3 . 19453 1 232 . 1 1 21 21 GLN HG2 H 1 1.813 0.0064 . . . . . A 23 GLN HG2 . 19453 1 233 . 1 1 21 21 GLN HG3 H 1 2.359 0.0064 . . . . . A 23 GLN HG3 . 19453 1 234 . 1 1 21 21 GLN HE21 H 1 6.594 0.0064 . . . . . A 23 GLN HE21 . 19453 1 235 . 1 1 21 21 GLN HE22 H 1 8.700 0.0064 . . . . . A 23 GLN HE22 . 19453 1 236 . 1 1 21 21 GLN CA C 13 54.171 0.1484 . . . . . A 23 GLN CA . 19453 1 237 . 1 1 21 21 GLN CB C 13 33.153 0.1484 . . . . . A 23 GLN CB . 19453 1 238 . 1 1 21 21 GLN CG C 13 36.107 0.1484 . . . . . A 23 GLN CG . 19453 1 239 . 1 1 21 21 GLN N N 15 125.114 0.0254 . . . . . A 23 GLN N . 19453 1 240 . 1 1 21 21 GLN NE2 N 15 114.185 0.0254 . . . . . A 23 GLN NE2 . 19453 1 241 . 1 1 22 22 LYS H H 1 9.131 0.0064 . . . . . A 24 LYS H . 19453 1 242 . 1 1 22 22 LYS HA H 1 4.596 0.0064 . . . . . A 24 LYS HA . 19453 1 243 . 1 1 22 22 LYS HB2 H 1 1.755 0.0064 . . . . . A 24 LYS HB2 . 19453 1 244 . 1 1 22 22 LYS HB3 H 1 1.613 0.0064 . . . . . A 24 LYS HB3 . 19453 1 245 . 1 1 22 22 LYS HG2 H 1 1.206 0.0064 . . . . . A 24 LYS HG2 . 19453 1 246 . 1 1 22 22 LYS HG3 H 1 1.024 0.0064 . . . . . A 24 LYS HG3 . 19453 1 247 . 1 1 22 22 LYS HE2 H 1 2.719 0.0064 . . . . . A 24 LYS HE2 . 19453 1 248 . 1 1 22 22 LYS HE3 H 1 2.601 0.0064 . . . . . A 24 LYS HE3 . 19453 1 249 . 1 1 22 22 LYS CA C 13 55.311 0.1484 . . . . . A 24 LYS CA . 19453 1 250 . 1 1 22 22 LYS CB C 13 36.870 0.1484 . . . . . A 24 LYS CB . 19453 1 251 . 1 1 22 22 LYS CG C 13 25.441 0.1484 . . . . . A 24 LYS CG . 19453 1 252 . 1 1 22 22 LYS CE C 13 42.090 0.1484 . . . . . A 24 LYS CE . 19453 1 253 . 1 1 22 22 LYS N N 15 125.530 0.0254 . . . . . A 24 LYS N . 19453 1 254 . 1 1 23 23 ILE H H 1 8.202 0.0064 . . . . . A 25 ILE H . 19453 1 255 . 1 1 23 23 ILE HA H 1 4.692 0.0064 . . . . . A 25 ILE HA . 19453 1 256 . 1 1 23 23 ILE HB H 1 1.593 0.0064 . . . . . A 25 ILE HB . 19453 1 257 . 1 1 23 23 ILE HG12 H 1 0.992 0.0064 . . . . . A 25 ILE HG12 . 19453 1 258 . 1 1 23 23 ILE HG13 H 1 1.507 0.0064 . . . . . A 25 ILE HG13 . 19453 1 259 . 1 1 23 23 ILE HG21 H 1 0.769 0.0064 . . . . . A 25 ILE QG2 . 19453 1 260 . 1 1 23 23 ILE HG22 H 1 0.769 0.0064 . . . . . A 25 ILE QG2 . 19453 1 261 . 1 1 23 23 ILE HG23 H 1 0.769 0.0064 . . . . . A 25 ILE QG2 . 19453 1 262 . 1 1 23 23 ILE HD11 H 1 0.833 0.0064 . . . . . A 25 ILE QD1 . 19453 1 263 . 1 1 23 23 ILE HD12 H 1 0.833 0.0064 . . . . . A 25 ILE QD1 . 19453 1 264 . 1 1 23 23 ILE HD13 H 1 0.833 0.0064 . . . . . A 25 ILE QD1 . 19453 1 265 . 1 1 23 23 ILE CA C 13 60.061 0.1484 . . . . . A 25 ILE CA . 19453 1 266 . 1 1 23 23 ILE CB C 13 39.356 0.1484 . . . . . A 25 ILE CB . 19453 1 267 . 1 1 23 23 ILE CG1 C 13 28.513 0.1484 . . . . . A 25 ILE CG1 . 19453 1 268 . 1 1 23 23 ILE CG2 C 13 17.593 0.1484 . . . . . A 25 ILE CG2 . 19453 1 269 . 1 1 23 23 ILE CD1 C 13 13.307 0.1484 . . . . . A 25 ILE CD1 . 19453 1 270 . 1 1 23 23 ILE N N 15 121.962 0.0254 . . . . . A 25 ILE N . 19453 1 271 . 1 1 24 24 TYR H H 1 9.538 0.0064 . . . . . A 26 TYR H . 19453 1 272 . 1 1 24 24 TYR HA H 1 4.775 0.0064 . . . . . A 26 TYR HA . 19453 1 273 . 1 1 24 24 TYR HB2 H 1 2.826 0.0064 . . . . . A 26 TYR QB . 19453 1 274 . 1 1 24 24 TYR HB3 H 1 2.826 0.0064 . . . . . A 26 TYR QB . 19453 1 275 . 1 1 24 24 TYR HD1 H 1 7.095 0.0064 . . . . . A 26 TYR QD . 19453 1 276 . 1 1 24 24 TYR HD2 H 1 7.095 0.0064 . . . . . A 26 TYR QD . 19453 1 277 . 1 1 24 24 TYR HE1 H 1 6.689 0.0064 . . . . . A 26 TYR QE . 19453 1 278 . 1 1 24 24 TYR HE2 H 1 6.689 0.0064 . . . . . A 26 TYR QE . 19453 1 279 . 1 1 24 24 TYR CA C 13 56.703 0.1484 . . . . . A 26 TYR CA . 19453 1 280 . 1 1 24 24 TYR CB C 13 38.937 0.1484 . . . . . A 26 TYR CB . 19453 1 281 . 1 1 24 24 TYR CD1 C 13 135.509 0.1484 . . . . . A 26 TYR CD1 . 19453 1 282 . 1 1 24 24 TYR CE1 C 13 119.752 0.1484 . . . . . A 26 TYR CE1 . 19453 1 283 . 1 1 24 24 TYR N N 15 127.274 0.0254 . . . . . A 26 TYR N . 19453 1 284 . 1 1 25 25 ASP H H 1 8.871 0.0064 . . . . . A 27 ASP H . 19453 1 285 . 1 1 25 25 ASP HA H 1 4.803 0.0064 . . . . . A 27 ASP HA . 19453 1 286 . 1 1 25 25 ASP HB2 H 1 3.091 0.0064 . . . . . A 27 ASP HB2 . 19453 1 287 . 1 1 25 25 ASP HB3 H 1 2.402 0.0064 . . . . . A 27 ASP HB3 . 19453 1 288 . 1 1 25 25 ASP CA C 13 52.637 0.1484 . . . . . A 27 ASP CA . 19453 1 289 . 1 1 25 25 ASP CB C 13 41.041 0.1484 . . . . . A 27 ASP CB . 19453 1 290 . 1 1 25 25 ASP N N 15 120.136 0.0254 . . . . . A 27 ASP N . 19453 1 291 . 1 1 26 26 ASP H H 1 8.231 0.0064 . . . . . A 28 ASP H . 19453 1 292 . 1 1 26 26 ASP HA H 1 5.032 0.0064 . . . . . A 28 ASP HA . 19453 1 293 . 1 1 26 26 ASP HB2 H 1 2.909 0.0064 . . . . . A 28 ASP HB2 . 19453 1 294 . 1 1 26 26 ASP HB3 H 1 2.728 0.0064 . . . . . A 28 ASP HB3 . 19453 1 295 . 1 1 26 26 ASP CA C 13 51.558 0.1484 . . . . . A 28 ASP CA . 19453 1 296 . 1 1 26 26 ASP CB C 13 43.008 0.1484 . . . . . A 28 ASP CB . 19453 1 297 . 1 1 26 26 ASP N N 15 117.393 0.0254 . . . . . A 28 ASP N . 19453 1 298 . 1 1 27 27 SER H H 1 8.915 0.0064 . . . . . A 29 SER H . 19453 1 299 . 1 1 27 27 SER HA H 1 3.981 0.0064 . . . . . A 29 SER HA . 19453 1 300 . 1 1 27 27 SER HB2 H 1 3.893 0.0064 . . . . . A 29 SER QB . 19453 1 301 . 1 1 27 27 SER HB3 H 1 3.893 0.0064 . . . . . A 29 SER QB . 19453 1 302 . 1 1 27 27 SER CA C 13 61.735 0.1484 . . . . . A 29 SER CA . 19453 1 303 . 1 1 27 27 SER CB C 13 62.655 0.1484 . . . . . A 29 SER CB . 19453 1 304 . 1 1 27 27 SER N N 15 116.997 0.0254 . . . . . A 29 SER N . 19453 1 305 . 1 1 28 28 GLU H H 1 8.486 0.0064 . . . . . A 30 GLU H . 19453 1 306 . 1 1 28 28 GLU HA H 1 4.000 0.0064 . . . . . A 30 GLU HA . 19453 1 307 . 1 1 28 28 GLU HB2 H 1 2.141 0.0064 . . . . . A 30 GLU HB2 . 19453 1 308 . 1 1 28 28 GLU HB3 H 1 2.035 0.0064 . . . . . A 30 GLU HB3 . 19453 1 309 . 1 1 28 28 GLU HG2 H 1 2.265 0.0064 . . . . . A 30 GLU HG2 . 19453 1 310 . 1 1 28 28 GLU HG3 H 1 2.316 0.0064 . . . . . A 30 GLU HG3 . 19453 1 311 . 1 1 28 28 GLU CA C 13 59.963 0.1484 . . . . . A 30 GLU CA . 19453 1 312 . 1 1 28 28 GLU CB C 13 29.015 0.1484 . . . . . A 30 GLU CB . 19453 1 313 . 1 1 28 28 GLU CG C 13 36.525 0.1484 . . . . . A 30 GLU CG . 19453 1 314 . 1 1 28 28 GLU N N 15 120.709 0.0254 . . . . . A 30 GLU N . 19453 1 315 . 1 1 29 29 SER H H 1 8.367 0.0064 . . . . . A 31 SER H . 19453 1 316 . 1 1 29 29 SER HA H 1 4.060 0.0064 . . . . . A 31 SER HA . 19453 1 317 . 1 1 29 29 SER HB2 H 1 3.793 0.0064 . . . . . A 31 SER HB2 . 19453 1 318 . 1 1 29 29 SER HB3 H 1 4.137 0.0064 . . . . . A 31 SER HB3 . 19453 1 319 . 1 1 29 29 SER CA C 13 61.992 0.1484 . . . . . A 31 SER CA . 19453 1 320 . 1 1 29 29 SER CB C 13 62.070 0.1484 . . . . . A 31 SER CB . 19453 1 321 . 1 1 29 29 SER N N 15 117.632 0.0254 . . . . . A 31 SER N . 19453 1 322 . 1 1 30 30 ILE H H 1 8.076 0.0064 . . . . . A 32 ILE H . 19453 1 323 . 1 1 30 30 ILE HA H 1 3.342 0.0064 . . . . . A 32 ILE HA . 19453 1 324 . 1 1 30 30 ILE HB H 1 1.733 0.0064 . . . . . A 32 ILE HB . 19453 1 325 . 1 1 30 30 ILE HG12 H 1 0.569 0.0064 . . . . . A 32 ILE QG1 . 19453 1 326 . 1 1 30 30 ILE HG13 H 1 0.569 0.0064 . . . . . A 32 ILE QG1 . 19453 1 327 . 1 1 30 30 ILE HG21 H 1 0.776 0.0064 . . . . . A 32 ILE QG2 . 19453 1 328 . 1 1 30 30 ILE HG22 H 1 0.776 0.0064 . . . . . A 32 ILE QG2 . 19453 1 329 . 1 1 30 30 ILE HG23 H 1 0.776 0.0064 . . . . . A 32 ILE QG2 . 19453 1 330 . 1 1 30 30 ILE HD11 H 1 0.564 0.0064 . . . . . A 32 ILE QD1 . 19453 1 331 . 1 1 30 30 ILE HD12 H 1 0.564 0.0064 . . . . . A 32 ILE QD1 . 19453 1 332 . 1 1 30 30 ILE HD13 H 1 0.564 0.0064 . . . . . A 32 ILE QD1 . 19453 1 333 . 1 1 30 30 ILE CA C 13 65.896 0.1484 . . . . . A 32 ILE CA . 19453 1 334 . 1 1 30 30 ILE CB C 13 38.030 0.1484 . . . . . A 32 ILE CB . 19453 1 335 . 1 1 30 30 ILE CG1 C 13 30.668 0.1484 . . . . . A 32 ILE CG1 . 19453 1 336 . 1 1 30 30 ILE CG2 C 13 17.084 0.1484 . . . . . A 32 ILE CG2 . 19453 1 337 . 1 1 30 30 ILE CD1 C 13 13.522 0.1484 . . . . . A 32 ILE CD1 . 19453 1 338 . 1 1 30 30 ILE N N 15 121.164 0.0254 . . . . . A 32 ILE N . 19453 1 339 . 1 1 31 31 GLN H H 1 8.140 0.0064 . . . . . A 33 GLN H . 19453 1 340 . 1 1 31 31 GLN HA H 1 3.857 0.0064 . . . . . A 33 GLN HA . 19453 1 341 . 1 1 31 31 GLN HB2 H 1 2.084 0.0064 . . . . . A 33 GLN QB . 19453 1 342 . 1 1 31 31 GLN HB3 H 1 2.084 0.0064 . . . . . A 33 GLN QB . 19453 1 343 . 1 1 31 31 GLN HG2 H 1 2.258 0.0064 . . . . . A 33 GLN HG2 . 19453 1 344 . 1 1 31 31 GLN HG3 H 1 2.426 0.0064 . . . . . A 33 GLN HG3 . 19453 1 345 . 1 1 31 31 GLN HE21 H 1 7.285 0.0064 . . . . . A 33 GLN HE21 . 19453 1 346 . 1 1 31 31 GLN HE22 H 1 6.807 0.0064 . . . . . A 33 GLN HE22 . 19453 1 347 . 1 1 31 31 GLN CA C 13 58.835 0.1484 . . . . . A 33 GLN CA . 19453 1 348 . 1 1 31 31 GLN CB C 13 28.285 0.1484 . . . . . A 33 GLN CB . 19453 1 349 . 1 1 31 31 GLN CG C 13 34.046 0.1484 . . . . . A 33 GLN CG . 19453 1 350 . 1 1 31 31 GLN N N 15 116.303 0.0254 . . . . . A 33 GLN N . 19453 1 351 . 1 1 31 31 GLN NE2 N 15 111.140 0.0254 . . . . . A 33 GLN NE2 . 19453 1 352 . 1 1 32 32 LYS H H 1 7.812 0.0064 . . . . . A 34 LYS H . 19453 1 353 . 1 1 32 32 LYS HA H 1 3.965 0.0064 . . . . . A 34 LYS HA . 19453 1 354 . 1 1 32 32 LYS HB2 H 1 1.962 0.0064 . . . . . A 34 LYS HB2 . 19453 1 355 . 1 1 32 32 LYS HB3 H 1 1.894 0.0064 . . . . . A 34 LYS HB3 . 19453 1 356 . 1 1 32 32 LYS HG2 H 1 1.304 0.0064 . . . . . A 34 LYS HG2 . 19453 1 357 . 1 1 32 32 LYS HG3 H 1 1.400 0.0064 . . . . . A 34 LYS HG3 . 19453 1 358 . 1 1 32 32 LYS HD2 H 1 1.613 0.0064 . . . . . A 34 LYS HD2 . 19453 1 359 . 1 1 32 32 LYS HD3 H 1 1.669 0.0064 . . . . . A 34 LYS HD3 . 19453 1 360 . 1 1 32 32 LYS HE2 H 1 2.862 0.0064 . . . . . A 34 LYS QE . 19453 1 361 . 1 1 32 32 LYS HE3 H 1 2.862 0.0064 . . . . . A 34 LYS QE . 19453 1 362 . 1 1 32 32 LYS CA C 13 59.214 0.1484 . . . . . A 34 LYS CA . 19453 1 363 . 1 1 32 32 LYS CB C 13 32.186 0.1484 . . . . . A 34 LYS CB . 19453 1 364 . 1 1 32 32 LYS CG C 13 24.801 0.1484 . . . . . A 34 LYS CG . 19453 1 365 . 1 1 32 32 LYS CD C 13 28.962 0.1484 . . . . . A 34 LYS CD . 19453 1 366 . 1 1 32 32 LYS CE C 13 42.050 0.1484 . . . . . A 34 LYS CE . 19453 1 367 . 1 1 32 32 LYS N N 15 120.324 0.0254 . . . . . A 34 LYS N . 19453 1 368 . 1 1 33 33 ILE H H 1 8.208 0.0064 . . . . . A 35 ILE H . 19453 1 369 . 1 1 33 33 ILE HA H 1 3.379 0.0064 . . . . . A 35 ILE HA . 19453 1 370 . 1 1 33 33 ILE HB H 1 1.635 0.0064 . . . . . A 35 ILE HB . 19453 1 371 . 1 1 33 33 ILE HG12 H 1 0.579 0.0064 . . . . . A 35 ILE HG12 . 19453 1 372 . 1 1 33 33 ILE HG13 H 1 1.513 0.0064 . . . . . A 35 ILE HG13 . 19453 1 373 . 1 1 33 33 ILE HG21 H 1 0.842 0.0064 . . . . . A 35 ILE QG2 . 19453 1 374 . 1 1 33 33 ILE HG22 H 1 0.842 0.0064 . . . . . A 35 ILE QG2 . 19453 1 375 . 1 1 33 33 ILE HG23 H 1 0.842 0.0064 . . . . . A 35 ILE QG2 . 19453 1 376 . 1 1 33 33 ILE HD11 H 1 -0.008 0.0064 . . . . . A 35 ILE QD1 . 19453 1 377 . 1 1 33 33 ILE HD12 H 1 -0.008 0.0064 . . . . . A 35 ILE QD1 . 19453 1 378 . 1 1 33 33 ILE HD13 H 1 -0.008 0.0064 . . . . . A 35 ILE QD1 . 19453 1 379 . 1 1 33 33 ILE CA C 13 65.674 0.1484 . . . . . A 35 ILE CA . 19453 1 380 . 1 1 33 33 ILE CB C 13 37.802 0.1484 . . . . . A 35 ILE CB . 19453 1 381 . 1 1 33 33 ILE CG1 C 13 29.680 0.1484 . . . . . A 35 ILE CG1 . 19453 1 382 . 1 1 33 33 ILE CG2 C 13 17.683 0.1484 . . . . . A 35 ILE CG2 . 19453 1 383 . 1 1 33 33 ILE CD1 C 13 12.754 0.1484 . . . . . A 35 ILE CD1 . 19453 1 384 . 1 1 33 33 ILE N N 15 119.048 0.0254 . . . . . A 35 ILE N . 19453 1 385 . 1 1 34 34 LEU H H 1 8.289 0.0064 . . . . . A 36 LEU H . 19453 1 386 . 1 1 34 34 LEU HA H 1 3.837 0.0064 . . . . . A 36 LEU HA . 19453 1 387 . 1 1 34 34 LEU HB2 H 1 1.435 0.0064 . . . . . A 36 LEU HB2 . 19453 1 388 . 1 1 34 34 LEU HB3 H 1 1.830 0.0064 . . . . . A 36 LEU HB3 . 19453 1 389 . 1 1 34 34 LEU HG H 1 1.910 0.0064 . . . . . A 36 LEU HG . 19453 1 390 . 1 1 34 34 LEU HD21 H 1 0.741 0.0064 . . . . . A 36 LEU QD2 . 19453 1 391 . 1 1 34 34 LEU HD22 H 1 0.741 0.0064 . . . . . A 36 LEU QD2 . 19453 1 392 . 1 1 34 34 LEU HD23 H 1 0.741 0.0064 . . . . . A 36 LEU QD2 . 19453 1 393 . 1 1 34 34 LEU CA C 13 58.091 0.1484 . . . . . A 36 LEU CA . 19453 1 394 . 1 1 34 34 LEU CB C 13 40.694 0.1484 . . . . . A 36 LEU CB . 19453 1 395 . 1 1 34 34 LEU CG C 13 26.295 0.1484 . . . . . A 36 LEU CG . 19453 1 396 . 1 1 34 34 LEU CD2 C 13 22.736 0.1484 . . . . . A 36 LEU CD2 . 19453 1 397 . 1 1 34 34 LEU N N 15 116.792 0.0254 . . . . . A 36 LEU N . 19453 1 398 . 1 1 35 35 SER H H 1 8.297 0.0064 . . . . . A 37 SER H . 19453 1 399 . 1 1 35 35 SER HA H 1 4.042 0.0064 . . . . . A 37 SER HA . 19453 1 400 . 1 1 35 35 SER HB2 H 1 3.877 0.0064 . . . . . A 37 SER HB2 . 19453 1 401 . 1 1 35 35 SER HB3 H 1 3.968 0.0064 . . . . . A 37 SER HB3 . 19453 1 402 . 1 1 35 35 SER CA C 13 61.648 0.1484 . . . . . A 37 SER CA . 19453 1 403 . 1 1 35 35 SER CB C 13 62.304 0.1484 . . . . . A 37 SER CB . 19453 1 404 . 1 1 35 35 SER N N 15 113.430 0.0254 . . . . . A 37 SER N . 19453 1 405 . 1 1 36 36 GLU H H 1 7.699 0.0064 . . . . . A 38 GLU H . 19453 1 406 . 1 1 36 36 GLU HA H 1 4.379 0.0064 . . . . . A 38 GLU HA . 19453 1 407 . 1 1 36 36 GLU HB2 H 1 1.968 0.0064 . . . . . A 38 GLU QB . 19453 1 408 . 1 1 36 36 GLU HB3 H 1 1.968 0.0064 . . . . . A 38 GLU QB . 19453 1 409 . 1 1 36 36 GLU HG2 H 1 2.153 0.0064 . . . . . A 38 GLU HG2 . 19453 1 410 . 1 1 36 36 GLU HG3 H 1 2.391 0.0064 . . . . . A 38 GLU HG3 . 19453 1 411 . 1 1 36 36 GLU CA C 13 57.408 0.1484 . . . . . A 38 GLU CA . 19453 1 412 . 1 1 36 36 GLU CB C 13 27.315 0.1484 . . . . . A 38 GLU CB . 19453 1 413 . 1 1 36 36 GLU CG C 13 32.914 0.1484 . . . . . A 38 GLU CG . 19453 1 414 . 1 1 36 36 GLU N N 15 119.783 0.0254 . . . . . A 38 GLU N . 19453 1 415 . 1 1 37 37 ILE H H 1 8.231 0.0064 . . . . . A 39 ILE H . 19453 1 416 . 1 1 37 37 ILE HA H 1 3.386 0.0064 . . . . . A 39 ILE HA . 19453 1 417 . 1 1 37 37 ILE HB H 1 1.770 0.0064 . . . . . A 39 ILE HB . 19453 1 418 . 1 1 37 37 ILE HG12 H 1 0.590 0.0064 . . . . . A 39 ILE HG12 . 19453 1 419 . 1 1 37 37 ILE HG13 H 1 2.095 0.0064 . . . . . A 39 ILE HG13 . 19453 1 420 . 1 1 37 37 ILE HG21 H 1 0.739 0.0064 . . . . . A 39 ILE QG2 . 19453 1 421 . 1 1 37 37 ILE HG22 H 1 0.739 0.0064 . . . . . A 39 ILE QG2 . 19453 1 422 . 1 1 37 37 ILE HG23 H 1 0.739 0.0064 . . . . . A 39 ILE QG2 . 19453 1 423 . 1 1 37 37 ILE HD11 H 1 0.590 0.0064 . . . . . A 39 ILE QD1 . 19453 1 424 . 1 1 37 37 ILE HD12 H 1 0.590 0.0064 . . . . . A 39 ILE QD1 . 19453 1 425 . 1 1 37 37 ILE HD13 H 1 0.590 0.0064 . . . . . A 39 ILE QD1 . 19453 1 426 . 1 1 37 37 ILE CA C 13 65.687 0.1484 . . . . . A 39 ILE CA . 19453 1 427 . 1 1 37 37 ILE CB C 13 37.627 0.1484 . . . . . A 39 ILE CB . 19453 1 428 . 1 1 37 37 ILE CG1 C 13 29.067 0.1484 . . . . . A 39 ILE CG1 . 19453 1 429 . 1 1 37 37 ILE CG2 C 13 14.606 0.1484 . . . . . A 39 ILE CG2 . 19453 1 430 . 1 1 37 37 ILE CD1 C 13 13.616 0.1484 . . . . . A 39 ILE CD1 . 19453 1 431 . 1 1 37 37 ILE N N 15 121.980 0.0254 . . . . . A 39 ILE N . 19453 1 432 . 1 1 38 38 ALA H H 1 7.846 0.0064 . . . . . A 40 ALA H . 19453 1 433 . 1 1 38 38 ALA HA H 1 3.962 0.0064 . . . . . A 40 ALA HA . 19453 1 434 . 1 1 38 38 ALA HB1 H 1 1.424 0.0064 . . . . . A 40 ALA QB . 19453 1 435 . 1 1 38 38 ALA HB2 H 1 1.424 0.0064 . . . . . A 40 ALA QB . 19453 1 436 . 1 1 38 38 ALA HB3 H 1 1.424 0.0064 . . . . . A 40 ALA QB . 19453 1 437 . 1 1 38 38 ALA CA C 13 53.552 0.1484 . . . . . A 40 ALA CA . 19453 1 438 . 1 1 38 38 ALA CB C 13 18.288 0.1484 . . . . . A 40 ALA CB . 19453 1 439 . 1 1 38 38 ALA N N 15 117.263 0.0254 . . . . . A 40 ALA N . 19453 1 440 . 1 1 39 39 THR H H 1 7.210 0.0064 . . . . . A 41 THR H . 19453 1 441 . 1 1 39 39 THR HA H 1 4.256 0.0064 . . . . . A 41 THR HA . 19453 1 442 . 1 1 39 39 THR HB H 1 4.355 0.0064 . . . . . A 41 THR HB . 19453 1 443 . 1 1 39 39 THR HG21 H 1 1.418 0.0064 . . . . . A 41 THR QG2 . 19453 1 444 . 1 1 39 39 THR HG22 H 1 1.418 0.0064 . . . . . A 41 THR QG2 . 19453 1 445 . 1 1 39 39 THR HG23 H 1 1.418 0.0064 . . . . . A 41 THR QG2 . 19453 1 446 . 1 1 39 39 THR CA C 13 62.756 0.1484 . . . . . A 41 THR CA . 19453 1 447 . 1 1 39 39 THR CB C 13 69.847 0.1484 . . . . . A 41 THR CB . 19453 1 448 . 1 1 39 39 THR CG2 C 13 20.912 0.1484 . . . . . A 41 THR CG2 . 19453 1 449 . 1 1 39 39 THR N N 15 106.764 0.0254 . . . . . A 41 THR N . 19453 1 450 . 1 1 40 40 GLY H H 1 8.045 0.0064 . . . . . A 42 GLY H . 19453 1 451 . 1 1 40 40 GLY HA2 H 1 4.250 0.0064 . . . . . A 42 GLY HA2 . 19453 1 452 . 1 1 40 40 GLY HA3 H 1 3.010 0.0064 . . . . . A 42 GLY HA3 . 19453 1 453 . 1 1 40 40 GLY CA C 13 46.566 0.1484 . . . . . A 42 GLY CA . 19453 1 454 . 1 1 40 40 GLY N N 15 107.934 0.0254 . . . . . A 42 GLY N . 19453 1 455 . 1 1 41 41 LYS H H 1 8.927 0.0064 . . . . . A 43 LYS H . 19453 1 456 . 1 1 41 41 LYS HA H 1 4.901 0.0064 . . . . . A 43 LYS HA . 19453 1 457 . 1 1 41 41 LYS HB2 H 1 1.876 0.0064 . . . . . A 43 LYS HB2 . 19453 1 458 . 1 1 41 41 LYS HB3 H 1 1.862 0.0064 . . . . . A 43 LYS HB3 . 19453 1 459 . 1 1 41 41 LYS HG2 H 1 1.475 0.0064 . . . . . A 43 LYS HG2 . 19453 1 460 . 1 1 41 41 LYS HG3 H 1 1.668 0.0064 . . . . . A 43 LYS HG3 . 19453 1 461 . 1 1 41 41 LYS HD2 H 1 1.719 0.0064 . . . . . A 43 LYS QD . 19453 1 462 . 1 1 41 41 LYS HD3 H 1 1.719 0.0064 . . . . . A 43 LYS QD . 19453 1 463 . 1 1 41 41 LYS HE2 H 1 3.023 0.0064 . . . . . A 43 LYS QE . 19453 1 464 . 1 1 41 41 LYS HE3 H 1 3.023 0.0064 . . . . . A 43 LYS QE . 19453 1 465 . 1 1 41 41 LYS CA C 13 54.204 0.1484 . . . . . A 43 LYS CA . 19453 1 466 . 1 1 41 41 LYS CB C 13 34.392 0.1484 . . . . . A 43 LYS CB . 19453 1 467 . 1 1 41 41 LYS CG C 13 24.530 0.1484 . . . . . A 43 LYS CG . 19453 1 468 . 1 1 41 41 LYS CD C 13 29.134 0.1484 . . . . . A 43 LYS CD . 19453 1 469 . 1 1 41 41 LYS CE C 13 42.139 0.1484 . . . . . A 43 LYS CE . 19453 1 470 . 1 1 41 41 LYS N N 15 123.814 0.0254 . . . . . A 43 LYS N . 19453 1 471 . 1 1 42 42 ARG H H 1 8.766 0.0064 . . . . . A 44 ARG H . 19453 1 472 . 1 1 42 42 ARG HA H 1 3.587 0.0064 . . . . . A 44 ARG HA . 19453 1 473 . 1 1 42 42 ARG HB2 H 1 1.820 0.0064 . . . . . A 44 ARG QB . 19453 1 474 . 1 1 42 42 ARG HB3 H 1 1.820 0.0064 . . . . . A 44 ARG QB . 19453 1 475 . 1 1 42 42 ARG HG2 H 1 0.914 0.0064 . . . . . A 44 ARG HG2 . 19453 1 476 . 1 1 42 42 ARG HG3 H 1 1.913 0.0064 . . . . . A 44 ARG HG3 . 19453 1 477 . 1 1 42 42 ARG HD2 H 1 3.083 0.0064 . . . . . A 44 ARG QD . 19453 1 478 . 1 1 42 42 ARG HD3 H 1 3.083 0.0064 . . . . . A 44 ARG QD . 19453 1 479 . 1 1 42 42 ARG CA C 13 58.792 0.1484 . . . . . A 44 ARG CA . 19453 1 480 . 1 1 42 42 ARG CB C 13 29.715 0.1484 . . . . . A 44 ARG CB . 19453 1 481 . 1 1 42 42 ARG CG C 13 27.385 0.1484 . . . . . A 44 ARG CG . 19453 1 482 . 1 1 42 42 ARG CD C 13 43.053 0.1484 . . . . . A 44 ARG CD . 19453 1 483 . 1 1 42 42 ARG N N 15 126.933 0.0254 . . . . . A 44 ARG N . 19453 1 484 . 1 1 43 43 THR H H 1 8.491 0.0064 . . . . . A 45 THR H . 19453 1 485 . 1 1 43 43 THR HA H 1 4.894 0.0064 . . . . . A 45 THR HA . 19453 1 486 . 1 1 43 43 THR HB H 1 4.565 0.0064 . . . . . A 45 THR HB . 19453 1 487 . 1 1 43 43 THR HG21 H 1 1.588 0.0064 . . . . . A 45 THR QG2 . 19453 1 488 . 1 1 43 43 THR HG22 H 1 1.588 0.0064 . . . . . A 45 THR QG2 . 19453 1 489 . 1 1 43 43 THR HG23 H 1 1.588 0.0064 . . . . . A 45 THR QG2 . 19453 1 490 . 1 1 43 43 THR CA C 13 60.605 0.1484 . . . . . A 45 THR CA . 19453 1 491 . 1 1 43 43 THR CB C 13 71.816 0.1484 . . . . . A 45 THR CB . 19453 1 492 . 1 1 43 43 THR CG2 C 13 22.159 0.1484 . . . . . A 45 THR CG2 . 19453 1 493 . 1 1 43 43 THR N N 15 118.103 0.0254 . . . . . A 45 THR N . 19453 1 494 . 1 1 44 44 GLU H H 1 8.898 0.0064 . . . . . A 46 GLU H . 19453 1 495 . 1 1 44 44 GLU HA H 1 4.305 0.0064 . . . . . A 46 GLU HA . 19453 1 496 . 1 1 44 44 GLU HB2 H 1 2.226 0.0064 . . . . . A 46 GLU HB2 . 19453 1 497 . 1 1 44 44 GLU HB3 H 1 1.849 0.0064 . . . . . A 46 GLU HB3 . 19453 1 498 . 1 1 44 44 GLU HG2 H 1 2.205 0.0064 . . . . . A 46 GLU HG2 . 19453 1 499 . 1 1 44 44 GLU HG3 H 1 2.323 0.0064 . . . . . A 46 GLU HG3 . 19453 1 500 . 1 1 44 44 GLU CA C 13 55.930 0.1484 . . . . . A 46 GLU CA . 19453 1 501 . 1 1 44 44 GLU CB C 13 28.997 0.1484 . . . . . A 46 GLU CB . 19453 1 502 . 1 1 44 44 GLU CG C 13 36.010 0.1484 . . . . . A 46 GLU CG . 19453 1 503 . 1 1 44 44 GLU N N 15 116.715 0.0254 . . . . . A 46 GLU N . 19453 1 504 . 1 1 45 45 LYS H H 1 7.647 0.0064 . . . . . A 47 LYS H . 19453 1 505 . 1 1 45 45 LYS HA H 1 4.026 0.0064 . . . . . A 47 LYS HA . 19453 1 506 . 1 1 45 45 LYS HB2 H 1 1.560 0.0064 . . . . . A 47 LYS HB2 . 19453 1 507 . 1 1 45 45 LYS HB3 H 1 1.345 0.0064 . . . . . A 47 LYS HB3 . 19453 1 508 . 1 1 45 45 LYS HG2 H 1 1.257 0.0064 . . . . . A 47 LYS HG2 . 19453 1 509 . 1 1 45 45 LYS HG3 H 1 1.325 0.0064 . . . . . A 47 LYS HG3 . 19453 1 510 . 1 1 45 45 LYS HE2 H 1 2.552 0.0064 . . . . . A 47 LYS HE2 . 19453 1 511 . 1 1 45 45 LYS HE3 H 1 2.684 0.0064 . . . . . A 47 LYS HE3 . 19453 1 512 . 1 1 45 45 LYS CA C 13 56.327 0.1484 . . . . . A 47 LYS CA . 19453 1 513 . 1 1 45 45 LYS CB C 13 33.214 0.1484 . . . . . A 47 LYS CB . 19453 1 514 . 1 1 45 45 LYS CG C 13 24.291 0.1484 . . . . . A 47 LYS CG . 19453 1 515 . 1 1 45 45 LYS CE C 13 41.010 0.1484 . . . . . A 47 LYS CE . 19453 1 516 . 1 1 45 45 LYS N N 15 121.036 0.0254 . . . . . A 47 LYS N . 19453 1 517 . 1 1 46 46 GLN H H 1 8.519 0.0064 . . . . . A 48 GLN H . 19453 1 518 . 1 1 46 46 GLN HA H 1 4.182 0.0064 . . . . . A 48 GLN HA . 19453 1 519 . 1 1 46 46 GLN HB2 H 1 1.813 0.0064 . . . . . A 48 GLN HB2 . 19453 1 520 . 1 1 46 46 GLN HB3 H 1 1.747 0.0064 . . . . . A 48 GLN HB3 . 19453 1 521 . 1 1 46 46 GLN HG2 H 1 2.314 0.0064 . . . . . A 48 GLN HG2 . 19453 1 522 . 1 1 46 46 GLN HG3 H 1 2.238 0.0064 . . . . . A 48 GLN HG3 . 19453 1 523 . 1 1 46 46 GLN HE21 H 1 7.343 0.0064 . . . . . A 48 GLN HE21 . 19453 1 524 . 1 1 46 46 GLN CA C 13 54.589 0.1484 . . . . . A 48 GLN CA . 19453 1 525 . 1 1 46 46 GLN CB C 13 29.703 0.1484 . . . . . A 48 GLN CB . 19453 1 526 . 1 1 46 46 GLN CG C 13 33.519 0.1484 . . . . . A 48 GLN CG . 19453 1 527 . 1 1 46 46 GLN N N 15 121.939 0.0254 . . . . . A 48 GLN N . 19453 1 528 . 1 1 46 46 GLN NE2 N 15 112.165 0.0254 . . . . . A 48 GLN NE2 . 19453 1 529 . 1 1 47 47 SER H H 1 8.630 0.0064 . . . . . A 49 SER H . 19453 1 530 . 1 1 47 47 SER HA H 1 4.396 0.0064 . . . . . A 49 SER HA . 19453 1 531 . 1 1 47 47 SER HB2 H 1 3.299 0.0064 . . . . . A 49 SER HB2 . 19453 1 532 . 1 1 47 47 SER HB3 H 1 3.414 0.0064 . . . . . A 49 SER HB3 . 19453 1 533 . 1 1 47 47 SER CA C 13 56.653 0.1484 . . . . . A 49 SER CA . 19453 1 534 . 1 1 47 47 SER CB C 13 61.547 0.1484 . . . . . A 49 SER CB . 19453 1 535 . 1 1 47 47 SER N N 15 117.730 0.0254 . . . . . A 49 SER N . 19453 1 536 . 1 1 48 48 ILE H H 1 8.461 0.0064 . . . . . A 50 ILE H . 19453 1 537 . 1 1 48 48 ILE HA H 1 4.437 0.0064 . . . . . A 50 ILE HA . 19453 1 538 . 1 1 48 48 ILE HB H 1 2.142 0.0064 . . . . . A 50 ILE HB . 19453 1 539 . 1 1 48 48 ILE HG12 H 1 0.911 0.0064 . . . . . A 50 ILE HG12 . 19453 1 540 . 1 1 48 48 ILE HG13 H 1 1.094 0.0064 . . . . . A 50 ILE HG13 . 19453 1 541 . 1 1 48 48 ILE HG21 H 1 0.718 0.0064 . . . . . A 50 ILE QG2 . 19453 1 542 . 1 1 48 48 ILE HG22 H 1 0.718 0.0064 . . . . . A 50 ILE QG2 . 19453 1 543 . 1 1 48 48 ILE HG23 H 1 0.718 0.0064 . . . . . A 50 ILE QG2 . 19453 1 544 . 1 1 48 48 ILE HD11 H 1 0.763 0.0064 . . . . . A 50 ILE QD1 . 19453 1 545 . 1 1 48 48 ILE HD12 H 1 0.763 0.0064 . . . . . A 50 ILE QD1 . 19453 1 546 . 1 1 48 48 ILE HD13 H 1 0.763 0.0064 . . . . . A 50 ILE QD1 . 19453 1 547 . 1 1 48 48 ILE CA C 13 60.192 0.1484 . . . . . A 50 ILE CA . 19453 1 548 . 1 1 48 48 ILE CB C 13 39.746 0.1484 . . . . . A 50 ILE CB . 19453 1 549 . 1 1 48 48 ILE CG1 C 13 25.994 0.1484 . . . . . A 50 ILE CG1 . 19453 1 550 . 1 1 48 48 ILE CG2 C 13 18.115 0.1484 . . . . . A 50 ILE CG2 . 19453 1 551 . 1 1 48 48 ILE CD1 C 13 13.927 0.1484 . . . . . A 50 ILE CD1 . 19453 1 552 . 1 1 48 48 ILE N N 15 120.525 0.0254 . . . . . A 50 ILE N . 19453 1 553 . 1 1 49 49 GLN H H 1 6.956 0.0064 . . . . . A 51 GLN H . 19453 1 554 . 1 1 49 49 GLN HA H 1 4.668 0.0064 . . . . . A 51 GLN HA . 19453 1 555 . 1 1 49 49 GLN HB2 H 1 2.035 0.0064 . . . . . A 51 GLN HB2 . 19453 1 556 . 1 1 49 49 GLN HB3 H 1 1.783 0.0064 . . . . . A 51 GLN HB3 . 19453 1 557 . 1 1 49 49 GLN HG2 H 1 2.186 0.0064 . . . . . A 51 GLN HG2 . 19453 1 558 . 1 1 49 49 GLN HG3 H 1 2.090 0.0064 . . . . . A 51 GLN HG3 . 19453 1 559 . 1 1 49 49 GLN HE21 H 1 7.294 0.0064 . . . . . A 51 GLN HE21 . 19453 1 560 . 1 1 49 49 GLN HE22 H 1 6.650 0.0064 . . . . . A 51 GLN HE22 . 19453 1 561 . 1 1 49 49 GLN CA C 13 53.648 0.1484 . . . . . A 51 GLN CA . 19453 1 562 . 1 1 49 49 GLN CB C 13 31.453 0.1484 . . . . . A 51 GLN CB . 19453 1 563 . 1 1 49 49 GLN CG C 13 32.745 0.1484 . . . . . A 51 GLN CG . 19453 1 564 . 1 1 49 49 GLN N N 15 117.389 0.0254 . . . . . A 51 GLN N . 19453 1 565 . 1 1 49 49 GLN NE2 N 15 110.953 0.0254 . . . . . A 51 GLN NE2 . 19453 1 566 . 1 1 50 50 ASP H H 1 8.171 0.0064 . . . . . A 52 ASP H . 19453 1 567 . 1 1 50 50 ASP HA H 1 4.039 0.0064 . . . . . A 52 ASP HA . 19453 1 568 . 1 1 50 50 ASP HB2 H 1 2.502 0.0064 . . . . . A 52 ASP QB . 19453 1 569 . 1 1 50 50 ASP HB3 H 1 2.502 0.0064 . . . . . A 52 ASP QB . 19453 1 570 . 1 1 50 50 ASP CA C 13 56.116 0.1484 . . . . . A 52 ASP CA . 19453 1 571 . 1 1 50 50 ASP CB C 13 41.379 0.1484 . . . . . A 52 ASP CB . 19453 1 572 . 1 1 50 50 ASP N N 15 115.553 0.0254 . . . . . A 52 ASP N . 19453 1 573 . 1 1 51 51 TYR H H 1 6.843 0.0064 . . . . . A 53 TYR H . 19453 1 574 . 1 1 51 51 TYR HA H 1 4.137 0.0064 . . . . . A 53 TYR HA . 19453 1 575 . 1 1 51 51 TYR HB2 H 1 2.469 0.0064 . . . . . A 53 TYR HB2 . 19453 1 576 . 1 1 51 51 TYR HB3 H 1 2.126 0.0064 . . . . . A 53 TYR HB3 . 19453 1 577 . 1 1 51 51 TYR HD1 H 1 6.843 0.0064 . . . . . A 53 TYR QD . 19453 1 578 . 1 1 51 51 TYR HD2 H 1 6.843 0.0064 . . . . . A 53 TYR QD . 19453 1 579 . 1 1 51 51 TYR HE1 H 1 6.805 0.0064 . . . . . A 53 TYR QE . 19453 1 580 . 1 1 51 51 TYR HE2 H 1 6.805 0.0064 . . . . . A 53 TYR QE . 19453 1 581 . 1 1 51 51 TYR CA C 13 53.788 0.1484 . . . . . A 53 TYR CA . 19453 1 582 . 1 1 51 51 TYR CB C 13 38.105 0.1484 . . . . . A 53 TYR CB . 19453 1 583 . 1 1 51 51 TYR CD2 C 13 136.119 0.1484 . . . . . A 53 TYR CD2 . 19453 1 584 . 1 1 51 51 TYR CE1 C 13 119.438 0.1484 . . . . . A 53 TYR CE1 . 19453 1 585 . 1 1 51 51 TYR N N 15 111.429 0.0254 . . . . . A 53 TYR N . 19453 1 586 . 1 1 52 52 PRO HA H 1 3.964 0.0064 . . . . . A 54 PRO HA . 19453 1 587 . 1 1 52 52 PRO HB2 H 1 0.780 0.0064 . . . . . A 54 PRO HB2 . 19453 1 588 . 1 1 52 52 PRO HB3 H 1 1.612 0.0064 . . . . . A 54 PRO HB3 . 19453 1 589 . 1 1 52 52 PRO HG2 H 1 0.646 0.0064 . . . . . A 54 PRO HG2 . 19453 1 590 . 1 1 52 52 PRO HG3 H 1 0.907 0.0064 . . . . . A 54 PRO HG3 . 19453 1 591 . 1 1 52 52 PRO CA C 13 61.571 0.1484 . . . . . A 54 PRO CA . 19453 1 592 . 1 1 52 52 PRO CB C 13 32.535 0.1484 . . . . . A 54 PRO CB . 19453 1 593 . 1 1 52 52 PRO CG C 13 28.382 0.1484 . . . . . A 54 PRO CG . 19453 1 594 . 1 1 53 53 SER H H 1 8.311 0.0064 . . . . . A 55 SER H . 19453 1 595 . 1 1 53 53 SER HA H 1 4.129 0.0064 . . . . . A 55 SER HA . 19453 1 596 . 1 1 53 53 SER HB2 H 1 3.635 0.0064 . . . . . A 55 SER HB2 . 19453 1 597 . 1 1 53 53 SER HB3 H 1 3.691 0.0064 . . . . . A 55 SER HB3 . 19453 1 598 . 1 1 53 53 SER CA C 13 57.823 0.1484 . . . . . A 55 SER CA . 19453 1 599 . 1 1 53 53 SER CB C 13 62.692 0.1484 . . . . . A 55 SER CB . 19453 1 600 . 1 1 53 53 SER N N 15 114.071 0.0254 . . . . . A 55 SER N . 19453 1 601 . 1 1 54 54 ALA H H 1 6.365 0.0064 . . . . . A 56 ALA H . 19453 1 602 . 1 1 54 54 ALA HA H 1 3.998 0.0064 . . . . . A 56 ALA HA . 19453 1 603 . 1 1 54 54 ALA HB1 H 1 0.867 0.0064 . . . . . A 56 ALA QB . 19453 1 604 . 1 1 54 54 ALA HB2 H 1 0.867 0.0064 . . . . . A 56 ALA QB . 19453 1 605 . 1 1 54 54 ALA HB3 H 1 0.867 0.0064 . . . . . A 56 ALA QB . 19453 1 606 . 1 1 54 54 ALA CA C 13 51.513 0.1484 . . . . . A 56 ALA CA . 19453 1 607 . 1 1 54 54 ALA CB C 13 19.321 0.1484 . . . . . A 56 ALA CB . 19453 1 608 . 1 1 54 54 ALA N N 15 123.584 0.0254 . . . . . A 56 ALA N . 19453 1 609 . 1 1 55 55 GLU H H 1 8.506 0.0064 . . . . . A 57 GLU H . 19453 1 610 . 1 1 55 55 GLU HA H 1 3.951 0.0064 . . . . . A 57 GLU HA . 19453 1 611 . 1 1 55 55 GLU HB2 H 1 1.998 0.0064 . . . . . A 57 GLU HB2 . 19453 1 612 . 1 1 55 55 GLU HB3 H 1 2.038 0.0064 . . . . . A 57 GLU HB3 . 19453 1 613 . 1 1 55 55 GLU HG2 H 1 2.287 0.0064 . . . . . A 57 GLU HG2 . 19453 1 614 . 1 1 55 55 GLU HG3 H 1 2.330 0.0064 . . . . . A 57 GLU HG3 . 19453 1 615 . 1 1 55 55 GLU CA C 13 58.518 0.1484 . . . . . A 57 GLU CA . 19453 1 616 . 1 1 55 55 GLU CB C 13 29.975 0.1484 . . . . . A 57 GLU CB . 19453 1 617 . 1 1 55 55 GLU CG C 13 36.339 0.1484 . . . . . A 57 GLU CG . 19453 1 618 . 1 1 55 55 GLU N N 15 119.864 0.0254 . . . . . A 57 GLU N . 19453 1 619 . 1 1 56 56 GLU H H 1 7.786 0.0064 . . . . . A 58 GLU H . 19453 1 620 . 1 1 56 56 GLU HA H 1 4.516 0.0064 . . . . . A 58 GLU HA . 19453 1 621 . 1 1 56 56 GLU HB2 H 1 1.935 0.0064 . . . . . A 58 GLU HB2 . 19453 1 622 . 1 1 56 56 GLU HB3 H 1 1.950 0.0064 . . . . . A 58 GLU HB3 . 19453 1 623 . 1 1 56 56 GLU HG2 H 1 2.181 0.0064 . . . . . A 58 GLU QG . 19453 1 624 . 1 1 56 56 GLU HG3 H 1 2.181 0.0064 . . . . . A 58 GLU QG . 19453 1 625 . 1 1 56 56 GLU CA C 13 54.442 0.1484 . . . . . A 58 GLU CA . 19453 1 626 . 1 1 56 56 GLU CB C 13 31.798 0.1484 . . . . . A 58 GLU CB . 19453 1 627 . 1 1 56 56 GLU CG C 13 35.608 0.1484 . . . . . A 58 GLU CG . 19453 1 628 . 1 1 56 56 GLU N N 15 114.761 0.0254 . . . . . A 58 GLU N . 19453 1 629 . 1 1 57 57 TYR H H 1 7.823 0.0064 . . . . . A 59 TYR H . 19453 1 630 . 1 1 57 57 TYR HA H 1 5.124 0.0064 . . . . . A 59 TYR HA . 19453 1 631 . 1 1 57 57 TYR HB2 H 1 2.870 0.0064 . . . . . A 59 TYR HB2 . 19453 1 632 . 1 1 57 57 TYR HB3 H 1 3.305 0.0064 . . . . . A 59 TYR HB3 . 19453 1 633 . 1 1 57 57 TYR HD1 H 1 6.767 0.0064 . . . . . A 59 TYR QD . 19453 1 634 . 1 1 57 57 TYR HD2 H 1 6.767 0.0064 . . . . . A 59 TYR QD . 19453 1 635 . 1 1 57 57 TYR HE1 H 1 6.617 0.0064 . . . . . A 59 TYR QE . 19453 1 636 . 1 1 57 57 TYR HE2 H 1 6.617 0.0064 . . . . . A 59 TYR QE . 19453 1 637 . 1 1 57 57 TYR CA C 13 55.814 0.1484 . . . . . A 59 TYR CA . 19453 1 638 . 1 1 57 57 TYR CB C 13 40.237 0.1484 . . . . . A 59 TYR CB . 19453 1 639 . 1 1 57 57 TYR CD2 C 13 136.107 0.1484 . . . . . A 59 TYR CD2 . 19453 1 640 . 1 1 57 57 TYR CE2 C 13 119.943 0.1484 . . . . . A 59 TYR CE2 . 19453 1 641 . 1 1 57 57 TYR N N 15 117.366 0.0254 . . . . . A 59 TYR N . 19453 1 642 . 1 1 58 58 GLY H H 1 8.711 0.0064 . . . . . A 60 GLY H . 19453 1 643 . 1 1 58 58 GLY HA2 H 1 4.538 0.0064 . . . . . A 60 GLY HA2 . 19453 1 644 . 1 1 58 58 GLY HA3 H 1 3.078 0.0064 . . . . . A 60 GLY HA3 . 19453 1 645 . 1 1 58 58 GLY CA C 13 42.972 0.1484 . . . . . A 60 GLY CA . 19453 1 646 . 1 1 58 58 GLY N N 15 109.114 0.0254 . . . . . A 60 GLY N . 19453 1 647 . 1 1 59 59 THR H H 1 8.791 0.0064 . . . . . A 61 THR H . 19453 1 648 . 1 1 59 59 THR HA H 1 5.095 0.0064 . . . . . A 61 THR HA . 19453 1 649 . 1 1 59 59 THR HB H 1 4.229 0.0064 . . . . . A 61 THR HB . 19453 1 650 . 1 1 59 59 THR HG21 H 1 1.229 0.0064 . . . . . A 61 THR QG2 . 19453 1 651 . 1 1 59 59 THR HG22 H 1 1.229 0.0064 . . . . . A 61 THR QG2 . 19453 1 652 . 1 1 59 59 THR HG23 H 1 1.229 0.0064 . . . . . A 61 THR QG2 . 19453 1 653 . 1 1 59 59 THR CA C 13 62.587 0.1484 . . . . . A 61 THR CA . 19453 1 654 . 1 1 59 59 THR CB C 13 71.252 0.1484 . . . . . A 61 THR CB . 19453 1 655 . 1 1 59 59 THR CG2 C 13 22.161 0.1484 . . . . . A 61 THR CG2 . 19453 1 656 . 1 1 59 59 THR N N 15 114.830 0.0254 . . . . . A 61 THR N . 19453 1 657 . 1 1 60 60 ILE H H 1 9.343 0.0064 . . . . . A 62 ILE H . 19453 1 658 . 1 1 60 60 ILE HA H 1 4.372 0.0064 . . . . . A 62 ILE HA . 19453 1 659 . 1 1 60 60 ILE HB H 1 1.492 0.0064 . . . . . A 62 ILE HB . 19453 1 660 . 1 1 60 60 ILE HG12 H 1 0.647 0.0064 . . . . . A 62 ILE HG12 . 19453 1 661 . 1 1 60 60 ILE HG13 H 1 1.503 0.0064 . . . . . A 62 ILE HG13 . 19453 1 662 . 1 1 60 60 ILE HG21 H 1 0.611 0.0064 . . . . . A 62 ILE QG2 . 19453 1 663 . 1 1 60 60 ILE HG22 H 1 0.611 0.0064 . . . . . A 62 ILE QG2 . 19453 1 664 . 1 1 60 60 ILE HG23 H 1 0.611 0.0064 . . . . . A 62 ILE QG2 . 19453 1 665 . 1 1 60 60 ILE HD11 H 1 0.113 0.0064 . . . . . A 62 ILE QD1 . 19453 1 666 . 1 1 60 60 ILE HD12 H 1 0.113 0.0064 . . . . . A 62 ILE QD1 . 19453 1 667 . 1 1 60 60 ILE HD13 H 1 0.113 0.0064 . . . . . A 62 ILE QD1 . 19453 1 668 . 1 1 60 60 ILE CA C 13 60.223 0.1484 . . . . . A 62 ILE CA . 19453 1 669 . 1 1 60 60 ILE CB C 13 40.440 0.1484 . . . . . A 62 ILE CB . 19453 1 670 . 1 1 60 60 ILE CG1 C 13 26.962 0.1484 . . . . . A 62 ILE CG1 . 19453 1 671 . 1 1 60 60 ILE CG2 C 13 17.195 0.1484 . . . . . A 62 ILE CG2 . 19453 1 672 . 1 1 60 60 ILE CD1 C 13 14.390 0.1484 . . . . . A 62 ILE CD1 . 19453 1 673 . 1 1 60 60 ILE N N 15 126.252 0.0254 . . . . . A 62 ILE N . 19453 1 674 . 1 1 61 61 ASN H H 1 9.079 0.0064 . . . . . A 63 ASN H . 19453 1 675 . 1 1 61 61 ASN HA H 1 5.396 0.0064 . . . . . A 63 ASN HA . 19453 1 676 . 1 1 61 61 ASN HB2 H 1 2.888 0.0064 . . . . . A 63 ASN HB2 . 19453 1 677 . 1 1 61 61 ASN HB3 H 1 2.697 0.0064 . . . . . A 63 ASN HB3 . 19453 1 678 . 1 1 61 61 ASN HD21 H 1 6.818 0.0064 . . . . . A 63 ASN HD21 . 19453 1 679 . 1 1 61 61 ASN HD22 H 1 7.937 0.0064 . . . . . A 63 ASN HD22 . 19453 1 680 . 1 1 61 61 ASN CA C 13 52.294 0.1484 . . . . . A 63 ASN CA . 19453 1 681 . 1 1 61 61 ASN CB C 13 41.467 0.1484 . . . . . A 63 ASN CB . 19453 1 682 . 1 1 61 61 ASN N N 15 125.280 0.0254 . . . . . A 63 ASN N . 19453 1 683 . 1 1 61 61 ASN ND2 N 15 115.511 0.0254 . . . . . A 63 ASN ND2 . 19453 1 684 . 1 1 62 62 ILE H H 1 9.434 0.0064 . . . . . A 64 ILE H . 19453 1 685 . 1 1 62 62 ILE HA H 1 4.318 0.0064 . . . . . A 64 ILE HA . 19453 1 686 . 1 1 62 62 ILE HB H 1 1.893 0.0064 . . . . . A 64 ILE HB . 19453 1 687 . 1 1 62 62 ILE HG12 H 1 0.675 0.0064 . . . . . A 64 ILE HG12 . 19453 1 688 . 1 1 62 62 ILE HG13 H 1 1.596 0.0064 . . . . . A 64 ILE HG13 . 19453 1 689 . 1 1 62 62 ILE HG21 H 1 0.788 0.0064 . . . . . A 64 ILE QG2 . 19453 1 690 . 1 1 62 62 ILE HG22 H 1 0.788 0.0064 . . . . . A 64 ILE QG2 . 19453 1 691 . 1 1 62 62 ILE HG23 H 1 0.788 0.0064 . . . . . A 64 ILE QG2 . 19453 1 692 . 1 1 62 62 ILE HD11 H 1 0.630 0.0064 . . . . . A 64 ILE QD1 . 19453 1 693 . 1 1 62 62 ILE HD12 H 1 0.630 0.0064 . . . . . A 64 ILE QD1 . 19453 1 694 . 1 1 62 62 ILE HD13 H 1 0.630 0.0064 . . . . . A 64 ILE QD1 . 19453 1 695 . 1 1 62 62 ILE CA C 13 60.745 0.1484 . . . . . A 64 ILE CA . 19453 1 696 . 1 1 62 62 ILE CB C 13 39.475 0.1484 . . . . . A 64 ILE CB . 19453 1 697 . 1 1 62 62 ILE CG1 C 13 27.333 0.1484 . . . . . A 64 ILE CG1 . 19453 1 698 . 1 1 62 62 ILE CG2 C 13 19.010 0.1484 . . . . . A 64 ILE CG2 . 19453 1 699 . 1 1 62 62 ILE CD1 C 13 13.445 0.1484 . . . . . A 64 ILE CD1 . 19453 1 700 . 1 1 62 62 ILE N N 15 124.610 0.0254 . . . . . A 64 ILE N . 19453 1 701 . 1 1 63 63 GLU H H 1 9.079 0.0064 . . . . . A 65 GLU H . 19453 1 702 . 1 1 63 63 GLU HA H 1 5.036 0.0064 . . . . . A 65 GLU HA . 19453 1 703 . 1 1 63 63 GLU HB2 H 1 1.805 0.0064 . . . . . A 65 GLU HB2 . 19453 1 704 . 1 1 63 63 GLU HB3 H 1 2.308 0.0064 . . . . . A 65 GLU HB3 . 19453 1 705 . 1 1 63 63 GLU HG2 H 1 2.270 0.0064 . . . . . A 65 GLU QG . 19453 1 706 . 1 1 63 63 GLU HG3 H 1 2.270 0.0064 . . . . . A 65 GLU QG . 19453 1 707 . 1 1 63 63 GLU CA C 13 56.356 0.1484 . . . . . A 65 GLU CA . 19453 1 708 . 1 1 63 63 GLU CB C 13 29.963 0.1484 . . . . . A 65 GLU CB . 19453 1 709 . 1 1 63 63 GLU CG C 13 35.225 0.1484 . . . . . A 65 GLU CG . 19453 1 710 . 1 1 63 63 GLU N N 15 134.083 0.0254 . . . . . A 65 GLU N . 19453 1 711 . 1 1 64 64 ASN H H 1 9.077 0.0064 . . . . . A 66 ASN H . 19453 1 712 . 1 1 64 64 ASN HA H 1 5.230 0.0064 . . . . . A 66 ASN HA . 19453 1 713 . 1 1 64 64 ASN HB2 H 1 2.621 0.0064 . . . . . A 66 ASN HB2 . 19453 1 714 . 1 1 64 64 ASN HB3 H 1 2.429 0.0064 . . . . . A 66 ASN HB3 . 19453 1 715 . 1 1 64 64 ASN HD21 H 1 7.156 0.0064 . . . . . A 66 ASN HD21 . 19453 1 716 . 1 1 64 64 ASN HD22 H 1 6.959 0.0064 . . . . . A 66 ASN HD22 . 19453 1 717 . 1 1 64 64 ASN CA C 13 53.016 0.1484 . . . . . A 66 ASN CA . 19453 1 718 . 1 1 64 64 ASN CB C 13 42.456 0.1484 . . . . . A 66 ASN CB . 19453 1 719 . 1 1 64 64 ASN N N 15 122.728 0.0254 . . . . . A 66 ASN N . 19453 1 720 . 1 1 64 64 ASN ND2 N 15 111.079 0.0254 . . . . . A 66 ASN ND2 . 19453 1 721 . 1 1 65 65 ASN H H 1 9.716 0.0064 . . . . . A 67 ASN H . 19453 1 722 . 1 1 65 65 ASN HA H 1 4.388 0.0064 . . . . . A 67 ASN HA . 19453 1 723 . 1 1 65 65 ASN HB2 H 1 3.000 0.0064 . . . . . A 67 ASN HB2 . 19453 1 724 . 1 1 65 65 ASN HB3 H 1 2.572 0.0064 . . . . . A 67 ASN HB3 . 19453 1 725 . 1 1 65 65 ASN HD21 H 1 7.736 0.0064 . . . . . A 67 ASN HD21 . 19453 1 726 . 1 1 65 65 ASN HD22 H 1 6.841 0.0064 . . . . . A 67 ASN HD22 . 19453 1 727 . 1 1 65 65 ASN CA C 13 54.390 0.1484 . . . . . A 67 ASN CA . 19453 1 728 . 1 1 65 65 ASN CB C 13 37.884 0.1484 . . . . . A 67 ASN CB . 19453 1 729 . 1 1 65 65 ASN N N 15 121.354 0.0254 . . . . . A 67 ASN N . 19453 1 730 . 1 1 65 65 ASN ND2 N 15 112.561 0.0254 . . . . . A 67 ASN ND2 . 19453 1 731 . 1 1 66 66 GLY H H 1 9.197 0.0064 . . . . . A 68 GLY H . 19453 1 732 . 1 1 66 66 GLY HA2 H 1 3.698 0.0064 . . . . . A 68 GLY HA2 . 19453 1 733 . 1 1 66 66 GLY HA3 H 1 4.065 0.0064 . . . . . A 68 GLY HA3 . 19453 1 734 . 1 1 66 66 GLY CA C 13 45.508 0.1484 . . . . . A 68 GLY CA . 19453 1 735 . 1 1 66 66 GLY N N 15 105.595 0.0254 . . . . . A 68 GLY N . 19453 1 736 . 1 1 67 67 GLY H H 1 7.768 0.0064 . . . . . A 69 GLY H . 19453 1 737 . 1 1 67 67 GLY HA2 H 1 3.778 0.0064 . . . . . A 69 GLY HA2 . 19453 1 738 . 1 1 67 67 GLY HA3 H 1 4.433 0.0064 . . . . . A 69 GLY HA3 . 19453 1 739 . 1 1 67 67 GLY CA C 13 44.184 0.1484 . . . . . A 69 GLY CA . 19453 1 740 . 1 1 67 67 GLY N N 15 108.798 0.0254 . . . . . A 69 GLY N . 19453 1 741 . 1 1 68 68 MET H H 1 8.373 0.0064 . . . . . A 70 MET H . 19453 1 742 . 1 1 68 68 MET HA H 1 5.285 0.0064 . . . . . A 70 MET HA . 19453 1 743 . 1 1 68 68 MET HB2 H 1 1.894 0.0064 . . . . . A 70 MET HB2 . 19453 1 744 . 1 1 68 68 MET HB3 H 1 1.871 0.0064 . . . . . A 70 MET HB3 . 19453 1 745 . 1 1 68 68 MET HG2 H 1 2.435 0.0064 . . . . . A 70 MET HG2 . 19453 1 746 . 1 1 68 68 MET HG3 H 1 2.307 0.0064 . . . . . A 70 MET HG3 . 19453 1 747 . 1 1 68 68 MET CA C 13 53.338 0.1484 . . . . . A 70 MET CA . 19453 1 748 . 1 1 68 68 MET CB C 13 34.877 0.1484 . . . . . A 70 MET CB . 19453 1 749 . 1 1 68 68 MET CG C 13 31.963 0.1484 . . . . . A 70 MET CG . 19453 1 750 . 1 1 68 68 MET N N 15 118.771 0.0254 . . . . . A 70 MET N . 19453 1 751 . 1 1 69 69 THR H H 1 8.845 0.0064 . . . . . A 71 THR H . 19453 1 752 . 1 1 69 69 THR HA H 1 4.507 0.0064 . . . . . A 71 THR HA . 19453 1 753 . 1 1 69 69 THR HB H 1 3.830 0.0064 . . . . . A 71 THR HB . 19453 1 754 . 1 1 69 69 THR HG21 H 1 1.169 0.0064 . . . . . A 71 THR QG2 . 19453 1 755 . 1 1 69 69 THR HG22 H 1 1.169 0.0064 . . . . . A 71 THR QG2 . 19453 1 756 . 1 1 69 69 THR HG23 H 1 1.169 0.0064 . . . . . A 71 THR QG2 . 19453 1 757 . 1 1 69 69 THR CA C 13 62.231 0.1484 . . . . . A 71 THR CA . 19453 1 758 . 1 1 69 69 THR CB C 13 70.230 0.1484 . . . . . A 71 THR CB . 19453 1 759 . 1 1 69 69 THR CG2 C 13 21.571 0.1484 . . . . . A 71 THR CG2 . 19453 1 760 . 1 1 69 69 THR N N 15 123.288 0.0254 . . . . . A 71 THR N . 19453 1 761 . 1 1 70 70 THR H H 1 8.570 0.0064 . . . . . A 72 THR H . 19453 1 762 . 1 1 70 70 THR HA H 1 5.227 0.0064 . . . . . A 72 THR HA . 19453 1 763 . 1 1 70 70 THR HB H 1 3.568 0.0064 . . . . . A 72 THR HB . 19453 1 764 . 1 1 70 70 THR HG21 H 1 0.762 0.0064 . . . . . A 72 THR QG2 . 19453 1 765 . 1 1 70 70 THR HG22 H 1 0.762 0.0064 . . . . . A 72 THR QG2 . 19453 1 766 . 1 1 70 70 THR HG23 H 1 0.762 0.0064 . . . . . A 72 THR QG2 . 19453 1 767 . 1 1 70 70 THR CA C 13 61.916 0.1484 . . . . . A 72 THR CA . 19453 1 768 . 1 1 70 70 THR CB C 13 70.401 0.1484 . . . . . A 72 THR CB . 19453 1 769 . 1 1 70 70 THR CG2 C 13 22.405 0.1484 . . . . . A 72 THR CG2 . 19453 1 770 . 1 1 70 70 THR N N 15 125.625 0.0254 . . . . . A 72 THR N . 19453 1 771 . 1 1 71 71 MET H H 1 9.062 0.0064 . . . . . A 73 MET H . 19453 1 772 . 1 1 71 71 MET HA H 1 4.595 0.0064 . . . . . A 73 MET HA . 19453 1 773 . 1 1 71 71 MET HB2 H 1 2.046 0.0064 . . . . . A 73 MET HB2 . 19453 1 774 . 1 1 71 71 MET HB3 H 1 1.758 0.0064 . . . . . A 73 MET HB3 . 19453 1 775 . 1 1 71 71 MET HG2 H 1 2.122 0.0064 . . . . . A 73 MET HG2 . 19453 1 776 . 1 1 71 71 MET HG3 H 1 2.407 0.0064 . . . . . A 73 MET HG3 . 19453 1 777 . 1 1 71 71 MET HE1 H 1 1.734 0.0064 . . . . . A 73 MET QE . 19453 1 778 . 1 1 71 71 MET HE2 H 1 1.734 0.0064 . . . . . A 73 MET QE . 19453 1 779 . 1 1 71 71 MET HE3 H 1 1.734 0.0064 . . . . . A 73 MET QE . 19453 1 780 . 1 1 71 71 MET CA C 13 53.951 0.1484 . . . . . A 73 MET CA . 19453 1 781 . 1 1 71 71 MET CB C 13 36.486 0.1484 . . . . . A 73 MET CB . 19453 1 782 . 1 1 71 71 MET CG C 13 32.674 0.1484 . . . . . A 73 MET CG . 19453 1 783 . 1 1 71 71 MET CE C 13 17.900 0.1484 . . . . . A 73 MET CE . 19453 1 784 . 1 1 71 71 MET N N 15 122.763 0.0254 . . . . . A 73 MET N . 19453 1 785 . 1 1 72 72 PHE H H 1 8.880 0.0064 . . . . . A 74 PHE H . 19453 1 786 . 1 1 72 72 PHE HA H 1 5.948 0.0064 . . . . . A 74 PHE HA . 19453 1 787 . 1 1 72 72 PHE HB2 H 1 3.392 0.0064 . . . . . A 74 PHE HB2 . 19453 1 788 . 1 1 72 72 PHE HB3 H 1 2.551 0.0064 . . . . . A 74 PHE HB3 . 19453 1 789 . 1 1 72 72 PHE HD1 H 1 7.312 0.0064 . . . . . A 74 PHE QD . 19453 1 790 . 1 1 72 72 PHE HD2 H 1 7.312 0.0064 . . . . . A 74 PHE QD . 19453 1 791 . 1 1 72 72 PHE HE1 H 1 7.451 0.0064 . . . . . A 74 PHE QE . 19453 1 792 . 1 1 72 72 PHE HE2 H 1 7.451 0.0064 . . . . . A 74 PHE QE . 19453 1 793 . 1 1 72 72 PHE HZ H 1 7.521 0.0064 . . . . . A 74 PHE HZ . 19453 1 794 . 1 1 72 72 PHE CA C 13 55.631 0.1484 . . . . . A 74 PHE CA . 19453 1 795 . 1 1 72 72 PHE CB C 13 44.964 0.1484 . . . . . A 74 PHE CB . 19453 1 796 . 1 1 72 72 PHE CD1 C 13 134.563 0.1484 . . . . . A 74 PHE CD1 . 19453 1 797 . 1 1 72 72 PHE CE1 C 13 134.011 0.1484 . . . . . A 74 PHE CE1 . 19453 1 798 . 1 1 72 72 PHE CZ C 13 131.748 0.1484 . . . . . A 74 PHE CZ . 19453 1 799 . 1 1 72 72 PHE N N 15 116.718 0.0254 . . . . . A 74 PHE N . 19453 1 800 . 1 1 73 73 TYR H H 1 8.535 0.0064 . . . . . A 75 TYR H . 19453 1 801 . 1 1 73 73 TYR HA H 1 5.969 0.0064 . . . . . A 75 TYR HA . 19453 1 802 . 1 1 73 73 TYR HB2 H 1 2.336 0.0064 . . . . . A 75 TYR HB2 . 19453 1 803 . 1 1 73 73 TYR HB3 H 1 3.281 0.0064 . . . . . A 75 TYR HB3 . 19453 1 804 . 1 1 73 73 TYR CA C 13 55.747 0.1484 . . . . . A 75 TYR CA . 19453 1 805 . 1 1 73 73 TYR CB C 13 41.726 0.1484 . . . . . A 75 TYR CB . 19453 1 806 . 1 1 73 73 TYR N N 15 116.719 0.0254 . . . . . A 75 TYR N . 19453 1 807 . 1 1 74 74 TYR H H 1 8.450 0.0064 . . . . . A 76 TYR H . 19453 1 808 . 1 1 74 74 TYR HA H 1 5.088 0.0064 . . . . . A 76 TYR HA . 19453 1 809 . 1 1 74 74 TYR HB2 H 1 3.236 0.0064 . . . . . A 76 TYR HB2 . 19453 1 810 . 1 1 74 74 TYR HB3 H 1 3.724 0.0064 . . . . . A 76 TYR HB3 . 19453 1 811 . 1 1 74 74 TYR HD1 H 1 6.628 0.0064 . . . . . A 76 TYR QD . 19453 1 812 . 1 1 74 74 TYR HD2 H 1 6.628 0.0064 . . . . . A 76 TYR QD . 19453 1 813 . 1 1 74 74 TYR HE1 H 1 6.904 0.0064 . . . . . A 76 TYR QE . 19453 1 814 . 1 1 74 74 TYR HE2 H 1 6.904 0.0064 . . . . . A 76 TYR QE . 19453 1 815 . 1 1 74 74 TYR CA C 13 56.639 0.1484 . . . . . A 76 TYR CA . 19453 1 816 . 1 1 74 74 TYR CB C 13 39.052 0.1484 . . . . . A 76 TYR CB . 19453 1 817 . 1 1 74 74 TYR CD2 C 13 134.724 0.1484 . . . . . A 76 TYR CD2 . 19453 1 818 . 1 1 74 74 TYR CE2 C 13 119.330 0.1484 . . . . . A 76 TYR CE2 . 19453 1 819 . 1 1 74 74 TYR N N 15 113.637 0.0254 . . . . . A 76 TYR N . 19453 1 820 . 1 1 75 75 GLU H H 1 9.101 0.0064 . . . . . A 77 GLU H . 19453 1 821 . 1 1 75 75 GLU HA H 1 5.392 0.0064 . . . . . A 77 GLU HA . 19453 1 822 . 1 1 75 75 GLU HB2 H 1 2.059 0.0064 . . . . . A 77 GLU HB2 . 19453 1 823 . 1 1 75 75 GLU HB3 H 1 2.127 0.0064 . . . . . A 77 GLU HB3 . 19453 1 824 . 1 1 75 75 GLU HG2 H 1 1.959 0.0064 . . . . . A 77 GLU HG2 . 19453 1 825 . 1 1 75 75 GLU HG3 H 1 2.032 0.0064 . . . . . A 77 GLU HG3 . 19453 1 826 . 1 1 75 75 GLU CA C 13 53.716 0.1484 . . . . . A 77 GLU CA . 19453 1 827 . 1 1 75 75 GLU CB C 13 32.085 0.1484 . . . . . A 77 GLU CB . 19453 1 828 . 1 1 75 75 GLU CG C 13 35.118 0.1484 . . . . . A 77 GLU CG . 19453 1 829 . 1 1 75 75 GLU N N 15 120.898 0.0254 . . . . . A 77 GLU N . 19453 1 830 . 1 1 76 76 GLU H H 1 9.337 0.0064 . . . . . A 78 GLU H . 19453 1 831 . 1 1 76 76 GLU HA H 1 4.523 0.0064 . . . . . A 78 GLU HA . 19453 1 832 . 1 1 76 76 GLU HB2 H 1 2.137 0.0064 . . . . . A 78 GLU HB2 . 19453 1 833 . 1 1 76 76 GLU HB3 H 1 2.169 0.0064 . . . . . A 78 GLU HB3 . 19453 1 834 . 1 1 76 76 GLU HG2 H 1 2.274 0.0064 . . . . . A 78 GLU HG2 . 19453 1 835 . 1 1 76 76 GLU HG3 H 1 2.050 0.0064 . . . . . A 78 GLU HG3 . 19453 1 836 . 1 1 76 76 GLU CA C 13 56.493 0.1484 . . . . . A 78 GLU CA . 19453 1 837 . 1 1 76 76 GLU CB C 13 33.101 0.1484 . . . . . A 78 GLU CB . 19453 1 838 . 1 1 76 76 GLU CG C 13 36.369 0.1484 . . . . . A 78 GLU CG . 19453 1 839 . 1 1 76 76 GLU N N 15 124.267 0.0254 . . . . . A 78 GLU N . 19453 1 840 . 1 1 77 77 ASN H H 1 9.660 0.0064 . . . . . A 79 ASN H . 19453 1 841 . 1 1 77 77 ASN HA H 1 4.397 0.0064 . . . . . A 79 ASN HA . 19453 1 842 . 1 1 77 77 ASN HB2 H 1 3.077 0.0064 . . . . . A 79 ASN HB2 . 19453 1 843 . 1 1 77 77 ASN HB3 H 1 2.749 0.0064 . . . . . A 79 ASN HB3 . 19453 1 844 . 1 1 77 77 ASN HD21 H 1 7.625 0.0064 . . . . . A 79 ASN HD21 . 19453 1 845 . 1 1 77 77 ASN HD22 H 1 6.910 0.0064 . . . . . A 79 ASN HD22 . 19453 1 846 . 1 1 77 77 ASN CA C 13 54.013 0.1484 . . . . . A 79 ASN CA . 19453 1 847 . 1 1 77 77 ASN CB C 13 37.796 0.1484 . . . . . A 79 ASN CB . 19453 1 848 . 1 1 77 77 ASN N N 15 126.584 0.0254 . . . . . A 79 ASN N . 19453 1 849 . 1 1 77 77 ASN ND2 N 15 112.236 0.0254 . . . . . A 79 ASN ND2 . 19453 1 850 . 1 1 78 78 GLY H H 1 9.125 0.0064 . . . . . A 80 GLY H . 19453 1 851 . 1 1 78 78 GLY HA2 H 1 3.539 0.0064 . . . . . A 80 GLY HA2 . 19453 1 852 . 1 1 78 78 GLY HA3 H 1 4.005 0.0064 . . . . . A 80 GLY HA3 . 19453 1 853 . 1 1 78 78 GLY CA C 13 45.307 0.1484 . . . . . A 80 GLY CA . 19453 1 854 . 1 1 78 78 GLY N N 15 104.640 0.0254 . . . . . A 80 GLY N . 19453 1 855 . 1 1 79 79 LYS H H 1 7.512 0.0064 . . . . . A 81 LYS H . 19453 1 856 . 1 1 79 79 LYS HA H 1 4.161 0.0064 . . . . . A 81 LYS HA . 19453 1 857 . 1 1 79 79 LYS HB2 H 1 1.729 0.0064 . . . . . A 81 LYS HB2 . 19453 1 858 . 1 1 79 79 LYS HB3 H 1 1.318 0.0064 . . . . . A 81 LYS HB3 . 19453 1 859 . 1 1 79 79 LYS HG2 H 1 1.243 0.0064 . . . . . A 81 LYS HG2 . 19453 1 860 . 1 1 79 79 LYS HG3 H 1 1.331 0.0064 . . . . . A 81 LYS HG3 . 19453 1 861 . 1 1 79 79 LYS HD2 H 1 1.646 0.0064 . . . . . A 81 LYS QD . 19453 1 862 . 1 1 79 79 LYS HD3 H 1 1.646 0.0064 . . . . . A 81 LYS QD . 19453 1 863 . 1 1 79 79 LYS HE2 H 1 2.962 0.0064 . . . . . A 81 LYS QE . 19453 1 864 . 1 1 79 79 LYS HE3 H 1 2.962 0.0064 . . . . . A 81 LYS QE . 19453 1 865 . 1 1 79 79 LYS CA C 13 53.746 0.1484 . . . . . A 81 LYS CA . 19453 1 866 . 1 1 79 79 LYS CB C 13 35.982 0.1484 . . . . . A 81 LYS CB . 19453 1 867 . 1 1 79 79 LYS CG C 13 25.675 0.1484 . . . . . A 81 LYS CG . 19453 1 868 . 1 1 79 79 LYS CD C 13 28.922 0.1484 . . . . . A 81 LYS CD . 19453 1 869 . 1 1 79 79 LYS CE C 13 42.073 0.1484 . . . . . A 81 LYS CE . 19453 1 870 . 1 1 79 79 LYS N N 15 119.535 0.0254 . . . . . A 81 LYS N . 19453 1 871 . 1 1 80 80 TYR H H 1 7.976 0.0064 . . . . . A 82 TYR H . 19453 1 872 . 1 1 80 80 TYR HA H 1 4.942 0.0064 . . . . . A 82 TYR HA . 19453 1 873 . 1 1 80 80 TYR HB2 H 1 2.397 0.0064 . . . . . A 82 TYR HB2 . 19453 1 874 . 1 1 80 80 TYR HB3 H 1 2.885 0.0064 . . . . . A 82 TYR HB3 . 19453 1 875 . 1 1 80 80 TYR HD1 H 1 6.857 0.0064 . . . . . A 82 TYR QD . 19453 1 876 . 1 1 80 80 TYR HD2 H 1 6.857 0.0064 . . . . . A 82 TYR QD . 19453 1 877 . 1 1 80 80 TYR HE1 H 1 6.752 0.0064 . . . . . A 82 TYR QE . 19453 1 878 . 1 1 80 80 TYR HE2 H 1 6.752 0.0064 . . . . . A 82 TYR QE . 19453 1 879 . 1 1 80 80 TYR CA C 13 57.028 0.1484 . . . . . A 82 TYR CA . 19453 1 880 . 1 1 80 80 TYR CB C 13 41.066 0.1484 . . . . . A 82 TYR CB . 19453 1 881 . 1 1 80 80 TYR CD2 C 13 134.745 0.1484 . . . . . A 82 TYR CD2 . 19453 1 882 . 1 1 80 80 TYR CE2 C 13 119.776 0.1484 . . . . . A 82 TYR CE2 . 19453 1 883 . 1 1 80 80 TYR N N 15 118.732 0.0254 . . . . . A 82 TYR N . 19453 1 884 . 1 1 81 81 TYR H H 1 8.692 0.0064 . . . . . A 83 TYR H . 19453 1 885 . 1 1 81 81 TYR HA H 1 5.585 0.0064 . . . . . A 83 TYR HA . 19453 1 886 . 1 1 81 81 TYR HB2 H 1 2.477 0.0064 . . . . . A 83 TYR HB2 . 19453 1 887 . 1 1 81 81 TYR HB3 H 1 1.544 0.0064 . . . . . A 83 TYR HB3 . 19453 1 888 . 1 1 81 81 TYR HD1 H 1 6.685 0.0064 . . . . . A 83 TYR QD . 19453 1 889 . 1 1 81 81 TYR HD2 H 1 6.685 0.0064 . . . . . A 83 TYR QD . 19453 1 890 . 1 1 81 81 TYR HE1 H 1 6.773 0.0064 . . . . . A 83 TYR QE . 19453 1 891 . 1 1 81 81 TYR HE2 H 1 6.773 0.0064 . . . . . A 83 TYR QE . 19453 1 892 . 1 1 81 81 TYR CA C 13 56.497 0.1484 . . . . . A 83 TYR CA . 19453 1 893 . 1 1 81 81 TYR CB C 13 42.970 0.1484 . . . . . A 83 TYR CB . 19453 1 894 . 1 1 81 81 TYR CD1 C 13 135.286 0.1484 . . . . . A 83 TYR CD1 . 19453 1 895 . 1 1 81 81 TYR CE1 C 13 119.108 0.1484 . . . . . A 83 TYR CE1 . 19453 1 896 . 1 1 81 81 TYR N N 15 116.197 0.0254 . . . . . A 83 TYR N . 19453 1 897 . 1 1 82 82 ILE H H 1 9.206 0.0064 . . . . . A 84 ILE H . 19453 1 898 . 1 1 82 82 ILE HA H 1 5.097 0.0064 . . . . . A 84 ILE HA . 19453 1 899 . 1 1 82 82 ILE HB H 1 1.600 0.0064 . . . . . A 84 ILE HB . 19453 1 900 . 1 1 82 82 ILE HG12 H 1 1.033 0.0064 . . . . . A 84 ILE HG12 . 19453 1 901 . 1 1 82 82 ILE HG13 H 1 1.512 0.0064 . . . . . A 84 ILE HG13 . 19453 1 902 . 1 1 82 82 ILE HG21 H 1 0.768 0.0064 . . . . . A 84 ILE QG2 . 19453 1 903 . 1 1 82 82 ILE HG22 H 1 0.768 0.0064 . . . . . A 84 ILE QG2 . 19453 1 904 . 1 1 82 82 ILE HG23 H 1 0.768 0.0064 . . . . . A 84 ILE QG2 . 19453 1 905 . 1 1 82 82 ILE HD11 H 1 0.589 0.0064 . . . . . A 84 ILE QD1 . 19453 1 906 . 1 1 82 82 ILE HD12 H 1 0.589 0.0064 . . . . . A 84 ILE QD1 . 19453 1 907 . 1 1 82 82 ILE HD13 H 1 0.589 0.0064 . . . . . A 84 ILE QD1 . 19453 1 908 . 1 1 82 82 ILE CA C 13 58.655 0.1484 . . . . . A 84 ILE CA . 19453 1 909 . 1 1 82 82 ILE CB C 13 41.151 0.1484 . . . . . A 84 ILE CB . 19453 1 910 . 1 1 82 82 ILE CG1 C 13 27.443 0.1484 . . . . . A 84 ILE CG1 . 19453 1 911 . 1 1 82 82 ILE CG2 C 13 17.212 0.1484 . . . . . A 84 ILE CG2 . 19453 1 912 . 1 1 82 82 ILE CD1 C 13 13.654 0.1484 . . . . . A 84 ILE CD1 . 19453 1 913 . 1 1 82 82 ILE N N 15 116.822 0.0254 . . . . . A 84 ILE N . 19453 1 914 . 1 1 83 83 GLU H H 1 9.777 0.0064 . . . . . A 85 GLU H . 19453 1 915 . 1 1 83 83 GLU HA H 1 5.248 0.0064 . . . . . A 85 GLU HA . 19453 1 916 . 1 1 83 83 GLU HB2 H 1 2.201 0.0064 . . . . . A 85 GLU HB2 . 19453 1 917 . 1 1 83 83 GLU HB3 H 1 2.003 0.0064 . . . . . A 85 GLU HB3 . 19453 1 918 . 1 1 83 83 GLU HG2 H 1 2.054 0.0064 . . . . . A 85 GLU QG . 19453 1 919 . 1 1 83 83 GLU HG3 H 1 2.054 0.0064 . . . . . A 85 GLU QG . 19453 1 920 . 1 1 83 83 GLU CA C 13 54.193 0.1484 . . . . . A 85 GLU CA . 19453 1 921 . 1 1 83 83 GLU CB C 13 34.109 0.1484 . . . . . A 85 GLU CB . 19453 1 922 . 1 1 83 83 GLU CG C 13 34.702 0.1484 . . . . . A 85 GLU CG . 19453 1 923 . 1 1 83 83 GLU N N 15 127.545 0.0254 . . . . . A 85 GLU N . 19453 1 924 . 1 1 84 84 CYS H H 1 9.194 0.0064 . . . . . A 86 CYS H . 19453 1 925 . 1 1 84 84 CYS HA H 1 5.172 0.0064 . . . . . A 86 CYS HA . 19453 1 926 . 1 1 84 84 CYS HB2 H 1 3.011 0.0064 . . . . . A 86 CYS HB2 . 19453 1 927 . 1 1 84 84 CYS HB3 H 1 3.140 0.0064 . . . . . A 86 CYS HB3 . 19453 1 928 . 1 1 84 84 CYS CA C 13 55.021 0.1484 . . . . . A 86 CYS CA . 19453 1 929 . 1 1 84 84 CYS CB C 13 28.673 0.1484 . . . . . A 86 CYS CB . 19453 1 930 . 1 1 84 84 CYS N N 15 127.124 0.0254 . . . . . A 86 CYS N . 19453 1 931 . 1 1 85 85 PRO HA H 1 4.309 0.0064 . . . . . A 87 PRO HA . 19453 1 932 . 1 1 85 85 PRO HB2 H 1 2.286 0.0064 . . . . . A 87 PRO HB2 . 19453 1 933 . 1 1 85 85 PRO HB3 H 1 1.946 0.0064 . . . . . A 87 PRO HB3 . 19453 1 934 . 1 1 85 85 PRO HG2 H 1 2.187 0.0064 . . . . . A 87 PRO HG2 . 19453 1 935 . 1 1 85 85 PRO HG3 H 1 2.227 0.0064 . . . . . A 87 PRO HG3 . 19453 1 936 . 1 1 85 85 PRO HD2 H 1 4.096 0.0064 . . . . . A 87 PRO HD2 . 19453 1 937 . 1 1 85 85 PRO HD3 H 1 3.969 0.0064 . . . . . A 87 PRO HD3 . 19453 1 938 . 1 1 85 85 PRO CA C 13 64.048 0.1484 . . . . . A 87 PRO CA . 19453 1 939 . 1 1 85 85 PRO CB C 13 31.792 0.1484 . . . . . A 87 PRO CB . 19453 1 940 . 1 1 85 85 PRO CG C 13 27.811 0.1484 . . . . . A 87 PRO CG . 19453 1 941 . 1 1 85 85 PRO CD C 13 51.459 0.1484 . . . . . A 87 PRO CD . 19453 1 942 . 1 1 86 86 TYR H H 1 8.117 0.0064 . . . . . A 88 TYR H . 19453 1 943 . 1 1 86 86 TYR HA H 1 4.126 0.0064 . . . . . A 88 TYR HA . 19453 1 944 . 1 1 86 86 TYR HB2 H 1 3.209 0.0064 . . . . . A 88 TYR HB2 . 19453 1 945 . 1 1 86 86 TYR HB3 H 1 3.277 0.0064 . . . . . A 88 TYR HB3 . 19453 1 946 . 1 1 86 86 TYR HD1 H 1 6.906 0.0064 . . . . . A 88 TYR QD . 19453 1 947 . 1 1 86 86 TYR HD2 H 1 6.906 0.0064 . . . . . A 88 TYR QD . 19453 1 948 . 1 1 86 86 TYR HE1 H 1 6.625 0.0064 . . . . . A 88 TYR QE . 19453 1 949 . 1 1 86 86 TYR HE2 H 1 6.625 0.0064 . . . . . A 88 TYR QE . 19453 1 950 . 1 1 86 86 TYR CA C 13 60.962 0.1484 . . . . . A 88 TYR CA . 19453 1 951 . 1 1 86 86 TYR CB C 13 35.459 0.1484 . . . . . A 88 TYR CB . 19453 1 952 . 1 1 86 86 TYR CD1 C 13 134.569 0.1484 . . . . . A 88 TYR CD1 . 19453 1 953 . 1 1 86 86 TYR CE1 C 13 119.372 0.1484 . . . . . A 88 TYR CE1 . 19453 1 954 . 1 1 86 86 TYR N N 15 114.474 0.0254 . . . . . A 88 TYR N . 19453 1 955 . 1 1 87 87 LYS H H 1 8.871 0.0064 . . . . . A 89 LYS H . 19453 1 956 . 1 1 87 87 LYS HA H 1 4.754 0.0064 . . . . . A 89 LYS HA . 19453 1 957 . 1 1 87 87 LYS HB2 H 1 1.692 0.0064 . . . . . A 89 LYS HB2 . 19453 1 958 . 1 1 87 87 LYS HB3 H 1 1.984 0.0064 . . . . . A 89 LYS HB3 . 19453 1 959 . 1 1 87 87 LYS HG2 H 1 1.578 0.0064 . . . . . A 89 LYS HG2 . 19453 1 960 . 1 1 87 87 LYS HG3 H 1 1.431 0.0064 . . . . . A 89 LYS HG3 . 19453 1 961 . 1 1 87 87 LYS HD2 H 1 1.653 0.0064 . . . . . A 89 LYS HD2 . 19453 1 962 . 1 1 87 87 LYS HD3 H 1 1.753 0.0064 . . . . . A 89 LYS HD3 . 19453 1 963 . 1 1 87 87 LYS HE2 H 1 3.033 0.0064 . . . . . A 89 LYS QE . 19453 1 964 . 1 1 87 87 LYS HE3 H 1 3.033 0.0064 . . . . . A 89 LYS QE . 19453 1 965 . 1 1 87 87 LYS CA C 13 56.623 0.1484 . . . . . A 89 LYS CA . 19453 1 966 . 1 1 87 87 LYS CB C 13 34.813 0.1484 . . . . . A 89 LYS CB . 19453 1 967 . 1 1 87 87 LYS CG C 13 25.047 0.1484 . . . . . A 89 LYS CG . 19453 1 968 . 1 1 87 87 LYS CD C 13 28.911 0.1484 . . . . . A 89 LYS CD . 19453 1 969 . 1 1 87 87 LYS CE C 13 42.240 0.1484 . . . . . A 89 LYS CE . 19453 1 970 . 1 1 87 87 LYS N N 15 119.602 0.0254 . . . . . A 89 LYS N . 19453 1 971 . 1 1 88 88 GLY H H 1 8.325 0.0064 . . . . . A 90 GLY H . 19453 1 972 . 1 1 88 88 GLY HA2 H 1 3.931 0.0064 . . . . . A 90 GLY HA2 . 19453 1 973 . 1 1 88 88 GLY HA3 H 1 3.852 0.0064 . . . . . A 90 GLY HA3 . 19453 1 974 . 1 1 88 88 GLY CA C 13 46.241 0.1484 . . . . . A 90 GLY CA . 19453 1 975 . 1 1 88 88 GLY N N 15 104.928 0.0254 . . . . . A 90 GLY N . 19453 1 976 . 1 1 89 89 ILE H H 1 8.658 0.0064 . . . . . A 91 ILE H . 19453 1 977 . 1 1 89 89 ILE HA H 1 4.601 0.0064 . . . . . A 91 ILE HA . 19453 1 978 . 1 1 89 89 ILE HB H 1 1.312 0.0064 . . . . . A 91 ILE HB . 19453 1 979 . 1 1 89 89 ILE HG12 H 1 0.619 0.0064 . . . . . A 91 ILE HG12 . 19453 1 980 . 1 1 89 89 ILE HG13 H 1 1.317 0.0064 . . . . . A 91 ILE HG13 . 19453 1 981 . 1 1 89 89 ILE HG21 H 1 0.589 0.0064 . . . . . A 91 ILE QG2 . 19453 1 982 . 1 1 89 89 ILE HG22 H 1 0.589 0.0064 . . . . . A 91 ILE QG2 . 19453 1 983 . 1 1 89 89 ILE HG23 H 1 0.589 0.0064 . . . . . A 91 ILE QG2 . 19453 1 984 . 1 1 89 89 ILE HD11 H 1 0.408 0.0064 . . . . . A 91 ILE QD1 . 19453 1 985 . 1 1 89 89 ILE HD12 H 1 0.408 0.0064 . . . . . A 91 ILE QD1 . 19453 1 986 . 1 1 89 89 ILE HD13 H 1 0.408 0.0064 . . . . . A 91 ILE QD1 . 19453 1 987 . 1 1 89 89 ILE CA C 13 61.617 0.1484 . . . . . A 91 ILE CA . 19453 1 988 . 1 1 89 89 ILE CB C 13 38.976 0.1484 . . . . . A 91 ILE CB . 19453 1 989 . 1 1 89 89 ILE CG1 C 13 29.537 0.1484 . . . . . A 91 ILE CG1 . 19453 1 990 . 1 1 89 89 ILE CG2 C 13 18.022 0.1484 . . . . . A 91 ILE CG2 . 19453 1 991 . 1 1 89 89 ILE CD1 C 13 13.457 0.1484 . . . . . A 91 ILE CD1 . 19453 1 992 . 1 1 89 89 ILE N N 15 121.198 0.0254 . . . . . A 91 ILE N . 19453 1 993 . 1 1 90 90 TYR H H 1 10.120 0.0064 . . . . . A 92 TYR H . 19453 1 994 . 1 1 90 90 TYR HA H 1 5.063 0.0064 . . . . . A 92 TYR HA . 19453 1 995 . 1 1 90 90 TYR HB2 H 1 2.900 0.0064 . . . . . A 92 TYR HB2 . 19453 1 996 . 1 1 90 90 TYR HB3 H 1 2.411 0.0064 . . . . . A 92 TYR HB3 . 19453 1 997 . 1 1 90 90 TYR HD1 H 1 6.967 0.0064 . . . . . A 92 TYR QD . 19453 1 998 . 1 1 90 90 TYR HD2 H 1 6.967 0.0064 . . . . . A 92 TYR QD . 19453 1 999 . 1 1 90 90 TYR HE1 H 1 6.547 0.0064 . . . . . A 92 TYR QE . 19453 1 1000 . 1 1 90 90 TYR HE2 H 1 6.547 0.0064 . . . . . A 92 TYR QE . 19453 1 1001 . 1 1 90 90 TYR CA C 13 55.597 0.1484 . . . . . A 92 TYR CA . 19453 1 1002 . 1 1 90 90 TYR CB C 13 39.723 0.1484 . . . . . A 92 TYR CB . 19453 1 1003 . 1 1 90 90 TYR CD2 C 13 135.295 0.1484 . . . . . A 92 TYR CD2 . 19453 1 1004 . 1 1 90 90 TYR CE2 C 13 119.687 0.1484 . . . . . A 92 TYR CE2 . 19453 1 1005 . 1 1 90 90 TYR N N 15 128.842 0.0254 . . . . . A 92 TYR N . 19453 1 1006 . 1 1 91 91 GLU H H 1 9.349 0.0064 . . . . . A 93 GLU H . 19453 1 1007 . 1 1 91 91 GLU HA H 1 4.884 0.0064 . . . . . A 93 GLU HA . 19453 1 1008 . 1 1 91 91 GLU HB2 H 1 1.899 0.0064 . . . . . A 93 GLU HB2 . 19453 1 1009 . 1 1 91 91 GLU HB3 H 1 1.949 0.0064 . . . . . A 93 GLU HB3 . 19453 1 1010 . 1 1 91 91 GLU HG2 H 1 2.236 0.0064 . . . . . A 93 GLU HG2 . 19453 1 1011 . 1 1 91 91 GLU HG3 H 1 2.163 0.0064 . . . . . A 93 GLU HG3 . 19453 1 1012 . 1 1 91 91 GLU CA C 13 55.607 0.1484 . . . . . A 93 GLU CA . 19453 1 1013 . 1 1 91 91 GLU CB C 13 31.057 0.1484 . . . . . A 93 GLU CB . 19453 1 1014 . 1 1 91 91 GLU CG C 13 35.921 0.1484 . . . . . A 93 GLU CG . 19453 1 1015 . 1 1 91 91 GLU N N 15 125.360 0.0254 . . . . . A 93 GLU N . 19453 1 1016 . 1 1 92 92 ILE H H 1 8.610 0.0064 . . . . . A 94 ILE H . 19453 1 1017 . 1 1 92 92 ILE HA H 1 4.815 0.0064 . . . . . A 94 ILE HA . 19453 1 1018 . 1 1 92 92 ILE HB H 1 1.914 0.0064 . . . . . A 94 ILE HB . 19453 1 1019 . 1 1 92 92 ILE HG12 H 1 1.560 0.0064 . . . . . A 94 ILE HG12 . 19453 1 1020 . 1 1 92 92 ILE HG13 H 1 0.657 0.0064 . . . . . A 94 ILE HG13 . 19453 1 1021 . 1 1 92 92 ILE HG21 H 1 0.800 0.0064 . . . . . A 94 ILE QG2 . 19453 1 1022 . 1 1 92 92 ILE HG22 H 1 0.800 0.0064 . . . . . A 94 ILE QG2 . 19453 1 1023 . 1 1 92 92 ILE HG23 H 1 0.800 0.0064 . . . . . A 94 ILE QG2 . 19453 1 1024 . 1 1 92 92 ILE HD11 H 1 0.976 0.0064 . . . . . A 94 ILE QD1 . 19453 1 1025 . 1 1 92 92 ILE HD12 H 1 0.976 0.0064 . . . . . A 94 ILE QD1 . 19453 1 1026 . 1 1 92 92 ILE HD13 H 1 0.976 0.0064 . . . . . A 94 ILE QD1 . 19453 1 1027 . 1 1 92 92 ILE CA C 13 59.704 0.1484 . . . . . A 94 ILE CA . 19453 1 1028 . 1 1 92 92 ILE CB C 13 41.348 0.1484 . . . . . A 94 ILE CB . 19453 1 1029 . 1 1 92 92 ILE CG1 C 13 25.831 0.1484 . . . . . A 94 ILE CG1 . 19453 1 1030 . 1 1 92 92 ILE CG2 C 13 18.529 0.1484 . . . . . A 94 ILE CG2 . 19453 1 1031 . 1 1 92 92 ILE CD1 C 13 14.254 0.1484 . . . . . A 94 ILE CD1 . 19453 1 1032 . 1 1 92 92 ILE N N 15 121.356 0.0254 . . . . . A 94 ILE N . 19453 1 1033 . 1 1 93 93 GLU H H 1 8.481 0.0064 . . . . . A 95 GLU H . 19453 1 1034 . 1 1 93 93 GLU HA H 1 4.079 0.0064 . . . . . A 95 GLU HA . 19453 1 1035 . 1 1 93 93 GLU HB2 H 1 1.869 0.0064 . . . . . A 95 GLU HB2 . 19453 1 1036 . 1 1 93 93 GLU HB3 H 1 2.013 0.0064 . . . . . A 95 GLU HB3 . 19453 1 1037 . 1 1 93 93 GLU HG2 H 1 2.301 0.0064 . . . . . A 95 GLU HG2 . 19453 1 1038 . 1 1 93 93 GLU HG3 H 1 2.231 0.0064 . . . . . A 95 GLU HG3 . 19453 1 1039 . 1 1 93 93 GLU CA C 13 58.286 0.1484 . . . . . A 95 GLU CA . 19453 1 1040 . 1 1 93 93 GLU CB C 13 31.013 0.1484 . . . . . A 95 GLU CB . 19453 1 1041 . 1 1 93 93 GLU CG C 13 36.498 0.1484 . . . . . A 95 GLU CG . 19453 1 1042 . 1 1 93 93 GLU N N 15 117.347 0.0254 . . . . . A 95 GLU N . 19453 1 1043 . 1 1 94 94 ASN H H 1 7.316 0.0064 . . . . . A 96 ASN H . 19453 1 1044 . 1 1 94 94 ASN HA H 1 4.375 0.0064 . . . . . A 96 ASN HA . 19453 1 1045 . 1 1 94 94 ASN HB2 H 1 2.383 0.0064 . . . . . A 96 ASN HB2 . 19453 1 1046 . 1 1 94 94 ASN HB3 H 1 2.136 0.0064 . . . . . A 96 ASN HB3 . 19453 1 1047 . 1 1 94 94 ASN HD21 H 1 7.412 0.0064 . . . . . A 96 ASN HD21 . 19453 1 1048 . 1 1 94 94 ASN HD22 H 1 6.841 0.0064 . . . . . A 96 ASN HD22 . 19453 1 1049 . 1 1 94 94 ASN CA C 13 50.341 0.1484 . . . . . A 96 ASN CA . 19453 1 1050 . 1 1 94 94 ASN CB C 13 42.474 0.1484 . . . . . A 96 ASN CB . 19453 1 1051 . 1 1 94 94 ASN N N 15 113.266 0.0254 . . . . . A 96 ASN N . 19453 1 1052 . 1 1 94 94 ASN ND2 N 15 112.686 0.0254 . . . . . A 96 ASN ND2 . 19453 1 1053 . 1 1 95 95 ASN H H 1 7.066 0.0064 . . . . . A 97 ASN H . 19453 1 1054 . 1 1 95 95 ASN HA H 1 3.596 0.0064 . . . . . A 97 ASN HA . 19453 1 1055 . 1 1 95 95 ASN HB2 H 1 2.518 0.0064 . . . . . A 97 ASN HB2 . 19453 1 1056 . 1 1 95 95 ASN HB3 H 1 2.133 0.0064 . . . . . A 97 ASN HB3 . 19453 1 1057 . 1 1 95 95 ASN HD21 H 1 7.134 0.0064 . . . . . A 97 ASN HD21 . 19453 1 1058 . 1 1 95 95 ASN HD22 H 1 7.505 0.0064 . . . . . A 97 ASN HD22 . 19453 1 1059 . 1 1 95 95 ASN CA C 13 52.754 0.1484 . . . . . A 97 ASN CA . 19453 1 1060 . 1 1 95 95 ASN CB C 13 37.884 0.1484 . . . . . A 97 ASN CB . 19453 1 1061 . 1 1 95 95 ASN N N 15 114.285 0.0254 . . . . . A 97 ASN N . 19453 1 1062 . 1 1 95 95 ASN ND2 N 15 112.231 0.0254 . . . . . A 97 ASN ND2 . 19453 1 1063 . 1 1 96 96 PHE H H 1 8.139 0.0064 . . . . . A 98 PHE H . 19453 1 1064 . 1 1 96 96 PHE HA H 1 3.668 0.0064 . . . . . A 98 PHE HA . 19453 1 1065 . 1 1 96 96 PHE HB2 H 1 2.651 0.0064 . . . . . A 98 PHE HB2 . 19453 1 1066 . 1 1 96 96 PHE HB3 H 1 1.874 0.0064 . . . . . A 98 PHE HB3 . 19453 1 1067 . 1 1 96 96 PHE HD1 H 1 6.242 0.0064 . . . . . A 98 PHE QD . 19453 1 1068 . 1 1 96 96 PHE HD2 H 1 6.242 0.0064 . . . . . A 98 PHE QD . 19453 1 1069 . 1 1 96 96 PHE HE1 H 1 6.692 0.0064 . . . . . A 98 PHE QE . 19453 1 1070 . 1 1 96 96 PHE HE2 H 1 6.692 0.0064 . . . . . A 98 PHE QE . 19453 1 1071 . 1 1 96 96 PHE HZ H 1 6.745 0.0064 . . . . . A 98 PHE HZ . 19453 1 1072 . 1 1 96 96 PHE CA C 13 61.697 0.1484 . . . . . A 98 PHE CA . 19453 1 1073 . 1 1 96 96 PHE CB C 13 39.473 0.1484 . . . . . A 98 PHE CB . 19453 1 1074 . 1 1 96 96 PHE CD1 C 13 133.214 0.1484 . . . . . A 98 PHE CD1 . 19453 1 1075 . 1 1 96 96 PHE CE2 C 13 131.724 0.1484 . . . . . A 98 PHE CE2 . 19453 1 1076 . 1 1 96 96 PHE CZ C 13 130.381 0.1484 . . . . . A 98 PHE CZ . 19453 1 1077 . 1 1 96 96 PHE N N 15 128.617 0.0254 . . . . . A 98 PHE N . 19453 1 1078 . 1 1 97 97 GLU H H 1 7.513 0.0064 . . . . . A 99 GLU H . 19453 1 1079 . 1 1 97 97 GLU HA H 1 3.496 0.0064 . . . . . A 99 GLU HA . 19453 1 1080 . 1 1 97 97 GLU HB2 H 1 2.059 0.0064 . . . . . A 99 GLU HB2 . 19453 1 1081 . 1 1 97 97 GLU HB3 H 1 1.820 0.0064 . . . . . A 99 GLU HB3 . 19453 1 1082 . 1 1 97 97 GLU HG2 H 1 2.354 0.0064 . . . . . A 99 GLU HG2 . 19453 1 1083 . 1 1 97 97 GLU HG3 H 1 2.692 0.0064 . . . . . A 99 GLU HG3 . 19453 1 1084 . 1 1 97 97 GLU CA C 13 58.129 0.1484 . . . . . A 99 GLU CA . 19453 1 1085 . 1 1 97 97 GLU CB C 13 28.467 0.1484 . . . . . A 99 GLU CB . 19453 1 1086 . 1 1 97 97 GLU CG C 13 36.812 0.1484 . . . . . A 99 GLU CG . 19453 1 1087 . 1 1 97 97 GLU N N 15 109.793 0.0254 . . . . . A 99 GLU N . 19453 1 1088 . 1 1 98 98 ASP H H 1 7.486 0.0064 . . . . . A 100 ASP H . 19453 1 1089 . 1 1 98 98 ASP HA H 1 4.522 0.0064 . . . . . A 100 ASP HA . 19453 1 1090 . 1 1 98 98 ASP HB2 H 1 2.636 0.0064 . . . . . A 100 ASP HB2 . 19453 1 1091 . 1 1 98 98 ASP HB3 H 1 2.417 0.0064 . . . . . A 100 ASP HB3 . 19453 1 1092 . 1 1 98 98 ASP CA C 13 54.600 0.1484 . . . . . A 100 ASP CA . 19453 1 1093 . 1 1 98 98 ASP CB C 13 40.847 0.1484 . . . . . A 100 ASP CB . 19453 1 1094 . 1 1 98 98 ASP N N 15 115.325 0.0254 . . . . . A 100 ASP N . 19453 1 1095 . 1 1 99 99 MET H H 1 7.309 0.0064 . . . . . A 101 MET H . 19453 1 1096 . 1 1 99 99 MET HA H 1 4.168 0.0064 . . . . . A 101 MET HA . 19453 1 1097 . 1 1 99 99 MET HB2 H 1 1.956 0.0064 . . . . . A 101 MET HB2 . 19453 1 1098 . 1 1 99 99 MET HB3 H 1 1.523 0.0064 . . . . . A 101 MET HB3 . 19453 1 1099 . 1 1 99 99 MET HG2 H 1 2.194 0.0064 . . . . . A 101 MET HG2 . 19453 1 1100 . 1 1 99 99 MET HG3 H 1 2.155 0.0064 . . . . . A 101 MET HG3 . 19453 1 1101 . 1 1 99 99 MET CA C 13 55.402 0.1484 . . . . . A 101 MET CA . 19453 1 1102 . 1 1 99 99 MET CB C 13 33.073 0.1484 . . . . . A 101 MET CB . 19453 1 1103 . 1 1 99 99 MET CG C 13 31.224 0.1484 . . . . . A 101 MET CG . 19453 1 1104 . 1 1 99 99 MET N N 15 117.035 0.0254 . . . . . A 101 MET N . 19453 1 1105 . 1 1 100 100 ILE H H 1 6.295 0.0064 . . . . . A 102 ILE H . 19453 1 1106 . 1 1 100 100 ILE HA H 1 3.763 0.0064 . . . . . A 102 ILE HA . 19453 1 1107 . 1 1 100 100 ILE HB H 1 1.572 0.0064 . . . . . A 102 ILE HB . 19453 1 1108 . 1 1 100 100 ILE HG12 H 1 0.566 0.0064 . . . . . A 102 ILE HG12 . 19453 1 1109 . 1 1 100 100 ILE HG13 H 1 0.999 0.0064 . . . . . A 102 ILE HG13 . 19453 1 1110 . 1 1 100 100 ILE HG21 H 1 0.208 0.0064 . . . . . A 102 ILE QG2 . 19453 1 1111 . 1 1 100 100 ILE HG22 H 1 0.208 0.0064 . . . . . A 102 ILE QG2 . 19453 1 1112 . 1 1 100 100 ILE HG23 H 1 0.208 0.0064 . . . . . A 102 ILE QG2 . 19453 1 1113 . 1 1 100 100 ILE HD11 H 1 0.561 0.0064 . . . . . A 102 ILE QD1 . 19453 1 1114 . 1 1 100 100 ILE HD12 H 1 0.561 0.0064 . . . . . A 102 ILE QD1 . 19453 1 1115 . 1 1 100 100 ILE HD13 H 1 0.561 0.0064 . . . . . A 102 ILE QD1 . 19453 1 1116 . 1 1 100 100 ILE CA C 13 62.067 0.1484 . . . . . A 102 ILE CA . 19453 1 1117 . 1 1 100 100 ILE CB C 13 39.076 0.1484 . . . . . A 102 ILE CB . 19453 1 1118 . 1 1 100 100 ILE CG1 C 13 25.523 0.1484 . . . . . A 102 ILE CG1 . 19453 1 1119 . 1 1 100 100 ILE CG2 C 13 18.749 0.1484 . . . . . A 102 ILE CG2 . 19453 1 1120 . 1 1 100 100 ILE CD1 C 13 14.281 0.1484 . . . . . A 102 ILE CD1 . 19453 1 1121 . 1 1 100 100 ILE N N 15 116.769 0.0254 . . . . . A 102 ILE N . 19453 1 stop_ save_