data_18954 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18954 _Entry.Title ; NMR structure of the GUCT domain from human DEAD box polypeptide 21 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-16 _Entry.Accession_date 2013-01-16 _Entry.Last_release_date 2013-01-28 _Entry.Original_release_date 2013-01-28 _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 Samit Dutta . K. . 18954 2 Pedro Serrano . . . 18954 3 Michael Geralt . . . 18954 4 Kurt Wuthrich . . . 18954 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, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 18954 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DEAD box polypeptide 21' . 18954 'GUCT domain' . 18954 'RNA helicase II/Gu' . 18954 'RRM fold' . 18954 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18954 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 18954 '15N chemical shifts' 101 18954 '1H chemical shifts' 658 18954 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 . . 2013-01-28 2013-01-16 original author . 18954 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M3D 'BMRB Entry Tracking System' 18954 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18954 _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 GUCT domain from human DEAD box polypeptide 21 (DDX21)' _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 Samit Dutta . K. . 18954 1 2 Pedro Serrano . . . 18954 1 3 Michael Geralt . . . 18954 1 4 Kurt Wuthrich . . . 18954 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18954 _Assembly.ID 1 _Assembly.Name GUCT _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 GUCT 1 $GUCT A . yes native no no . . . 18954 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GUCT _Entity.Sf_category entity _Entity.Sf_framecode GUCT _Entity.Entry_ID 18954 _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 ; GHISGATSVDQRSLINSNVG FVTMILQCSIEMPNISYAWK ELKEQLGEEIDSKVKGMVFL KGKLGVCFDVPTASVTEIQE KWHDSRRWQLSVATE ; _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 95 _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 10640.232 _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 2M3D . "Nmr Structure Of The Guct Domain From Human Dead Box Polypeptide 21" . . . . . 100.00 95 100.00 100.00 1.51e-62 . . . . 18954 1 2 no DBJ BAB93481 . "DEAD/H(Asp-Glu-Ala-Asp/His)box polypeptide 21 [Homo sapiens]" . . . . . 75.79 145 100.00 100.00 3.43e-45 . . . . 18954 1 3 no DBJ BAG37957 . "unnamed protein product [Homo sapiens]" . . . . . 98.95 715 100.00 100.00 1.38e-57 . . . . 18954 1 4 no DBJ BAI45572 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 21 [synthetic construct]" . . . . . 98.95 783 100.00 100.00 1.09e-57 . . . . 18954 1 5 no EMBL CAH18395 . "hypothetical protein [Homo sapiens]" . . . . . 98.95 715 100.00 100.00 1.38e-57 . . . . 18954 1 6 no GB AAB02546 . "Gu protein, partial [Homo sapiens]" . . . . . 98.95 801 100.00 100.00 9.89e-58 . . . . 18954 1 7 no GB AAF78930 . "RNA helicase II/Gu protein [Homo sapiens]" . . . . . 98.95 715 100.00 100.00 1.69e-57 . . . . 18954 1 8 no GB AAH08071 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 21 [Homo sapiens]" . . . . . 98.95 783 100.00 100.00 1.09e-57 . . . . 18954 1 9 no GB ABM84557 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 21 [synthetic construct]" . . . . . 98.95 715 100.00 100.00 1.38e-57 . . . . 18954 1 10 no GB ABM87851 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 21 [synthetic construct]" . . . . . 98.95 715 100.00 100.00 1.38e-57 . . . . 18954 1 11 no REF NP_001243839 . "nucleolar RNA helicase 2 isoform 2 [Homo sapiens]" . . . . . 98.95 715 100.00 100.00 1.38e-57 . . . . 18954 1 12 no REF NP_004719 . "nucleolar RNA helicase 2 isoform 1 [Homo sapiens]" . . . . . 98.95 783 100.00 100.00 1.09e-57 . . . . 18954 1 13 no REF XP_001110939 . "PREDICTED: nucleolar RNA helicase 2-like isoform 3 [Macaca mulatta]" . . . . . 98.95 783 100.00 100.00 1.32e-57 . . . . 18954 1 14 no REF XP_002820927 . "PREDICTED: nucleolar RNA helicase 2 [Pongo abelii]" . . . . . 98.95 783 100.00 100.00 1.07e-57 . . . . 18954 1 15 no REF XP_003258243 . "PREDICTED: nucleolar RNA helicase 2 isoform X1 [Nomascus leucogenys]" . . . . . 98.95 783 100.00 100.00 1.27e-57 . . . . 18954 1 16 no SP Q9NR30 . "RecName: Full=Nucleolar RNA helicase 2; AltName: Full=DEAD box protein 21; AltName: Full=Gu-alpha; AltName: Full=Nucleolar RNA " . . . . . 98.95 783 100.00 100.00 1.09e-57 . . . . 18954 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 18954 1 2 2 HIS . 18954 1 3 3 ILE . 18954 1 4 4 SER . 18954 1 5 5 GLY . 18954 1 6 6 ALA . 18954 1 7 7 THR . 18954 1 8 8 SER . 18954 1 9 9 VAL . 18954 1 10 10 ASP . 18954 1 11 11 GLN . 18954 1 12 12 ARG . 18954 1 13 13 SER . 18954 1 14 14 LEU . 18954 1 15 15 ILE . 18954 1 16 16 ASN . 18954 1 17 17 SER . 18954 1 18 18 ASN . 18954 1 19 19 VAL . 18954 1 20 20 GLY . 18954 1 21 21 PHE . 18954 1 22 22 VAL . 18954 1 23 23 THR . 18954 1 24 24 MET . 18954 1 25 25 ILE . 18954 1 26 26 LEU . 18954 1 27 27 GLN . 18954 1 28 28 CYS . 18954 1 29 29 SER . 18954 1 30 30 ILE . 18954 1 31 31 GLU . 18954 1 32 32 MET . 18954 1 33 33 PRO . 18954 1 34 34 ASN . 18954 1 35 35 ILE . 18954 1 36 36 SER . 18954 1 37 37 TYR . 18954 1 38 38 ALA . 18954 1 39 39 TRP . 18954 1 40 40 LYS . 18954 1 41 41 GLU . 18954 1 42 42 LEU . 18954 1 43 43 LYS . 18954 1 44 44 GLU . 18954 1 45 45 GLN . 18954 1 46 46 LEU . 18954 1 47 47 GLY . 18954 1 48 48 GLU . 18954 1 49 49 GLU . 18954 1 50 50 ILE . 18954 1 51 51 ASP . 18954 1 52 52 SER . 18954 1 53 53 LYS . 18954 1 54 54 VAL . 18954 1 55 55 LYS . 18954 1 56 56 GLY . 18954 1 57 57 MET . 18954 1 58 58 VAL . 18954 1 59 59 PHE . 18954 1 60 60 LEU . 18954 1 61 61 LYS . 18954 1 62 62 GLY . 18954 1 63 63 LYS . 18954 1 64 64 LEU . 18954 1 65 65 GLY . 18954 1 66 66 VAL . 18954 1 67 67 CYS . 18954 1 68 68 PHE . 18954 1 69 69 ASP . 18954 1 70 70 VAL . 18954 1 71 71 PRO . 18954 1 72 72 THR . 18954 1 73 73 ALA . 18954 1 74 74 SER . 18954 1 75 75 VAL . 18954 1 76 76 THR . 18954 1 77 77 GLU . 18954 1 78 78 ILE . 18954 1 79 79 GLN . 18954 1 80 80 GLU . 18954 1 81 81 LYS . 18954 1 82 82 TRP . 18954 1 83 83 HIS . 18954 1 84 84 ASP . 18954 1 85 85 SER . 18954 1 86 86 ARG . 18954 1 87 87 ARG . 18954 1 88 88 TRP . 18954 1 89 89 GLN . 18954 1 90 90 LEU . 18954 1 91 91 SER . 18954 1 92 92 VAL . 18954 1 93 93 ALA . 18954 1 94 94 THR . 18954 1 95 95 GLU . 18954 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18954 1 . HIS 2 2 18954 1 . ILE 3 3 18954 1 . SER 4 4 18954 1 . GLY 5 5 18954 1 . ALA 6 6 18954 1 . THR 7 7 18954 1 . SER 8 8 18954 1 . VAL 9 9 18954 1 . ASP 10 10 18954 1 . GLN 11 11 18954 1 . ARG 12 12 18954 1 . SER 13 13 18954 1 . LEU 14 14 18954 1 . ILE 15 15 18954 1 . ASN 16 16 18954 1 . SER 17 17 18954 1 . ASN 18 18 18954 1 . VAL 19 19 18954 1 . GLY 20 20 18954 1 . PHE 21 21 18954 1 . VAL 22 22 18954 1 . THR 23 23 18954 1 . MET 24 24 18954 1 . ILE 25 25 18954 1 . LEU 26 26 18954 1 . GLN 27 27 18954 1 . CYS 28 28 18954 1 . SER 29 29 18954 1 . ILE 30 30 18954 1 . GLU 31 31 18954 1 . MET 32 32 18954 1 . PRO 33 33 18954 1 . ASN 34 34 18954 1 . ILE 35 35 18954 1 . SER 36 36 18954 1 . TYR 37 37 18954 1 . ALA 38 38 18954 1 . TRP 39 39 18954 1 . LYS 40 40 18954 1 . GLU 41 41 18954 1 . LEU 42 42 18954 1 . LYS 43 43 18954 1 . GLU 44 44 18954 1 . GLN 45 45 18954 1 . LEU 46 46 18954 1 . GLY 47 47 18954 1 . GLU 48 48 18954 1 . GLU 49 49 18954 1 . ILE 50 50 18954 1 . ASP 51 51 18954 1 . SER 52 52 18954 1 . LYS 53 53 18954 1 . VAL 54 54 18954 1 . LYS 55 55 18954 1 . GLY 56 56 18954 1 . MET 57 57 18954 1 . VAL 58 58 18954 1 . PHE 59 59 18954 1 . LEU 60 60 18954 1 . LYS 61 61 18954 1 . GLY 62 62 18954 1 . LYS 63 63 18954 1 . LEU 64 64 18954 1 . GLY 65 65 18954 1 . VAL 66 66 18954 1 . CYS 67 67 18954 1 . PHE 68 68 18954 1 . ASP 69 69 18954 1 . VAL 70 70 18954 1 . PRO 71 71 18954 1 . THR 72 72 18954 1 . ALA 73 73 18954 1 . SER 74 74 18954 1 . VAL 75 75 18954 1 . THR 76 76 18954 1 . GLU 77 77 18954 1 . ILE 78 78 18954 1 . GLN 79 79 18954 1 . GLU 80 80 18954 1 . LYS 81 81 18954 1 . TRP 82 82 18954 1 . HIS 83 83 18954 1 . ASP 84 84 18954 1 . SER 85 85 18954 1 . ARG 86 86 18954 1 . ARG 87 87 18954 1 . TRP 88 88 18954 1 . GLN 89 89 18954 1 . LEU 90 90 18954 1 . SER 91 91 18954 1 . VAL 92 92 18954 1 . ALA 93 93 18954 1 . THR 94 94 18954 1 . GLU 95 95 18954 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 18954 _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 $GUCT . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18954 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 18954 _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 $GUCT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . Pspeedet . . . . . . 18954 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18954 _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 GUCT '[U-99% 13C; U-99% 15N]' . . 1 $GUCT . . 1.2 . . mM . . . . 18954 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18954 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18954 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18954 1 5 D2O '[U-99% 2H]' . . . . . . 95 . . % . . . . 18954 1 6 H2O 'natural abundance' . . . . . . 5 . . % . . . . 18954 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 18954 _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' 0.798 . M 18954 1 pH 6.0 . pH 18954 1 pressure 1 . atm 18954 1 temperature 298 . K 18954 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18954 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 18954 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18954 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18954 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18954 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18954 2 processing 18954 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18954 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18954 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18954 3 'data analysis' 18954 3 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 18954 _Software.ID 4 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, and Wuthrich' . . 18954 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18954 4 'peak picking' 18954 4 'structure solution' 18954 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 18954 _Software.ID 5 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 18954 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18954 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18954 _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 18954 _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 18954 _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 . . . 18954 1 2 spectrometer_2 Bruker Avance . 800 . . . 18954 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 18954 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18954 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18954 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18954 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18954 1 5 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18954 1 6 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18954 1 7 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18954 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 18954 _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 . . . . . . . . . 18954 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18954 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18954 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18954 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 18954 _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 2 '3D 1H-13C NOESY aliphatic' . . . 18954 1 3 '3D 1H-13C NOESY aromatic' . . . 18954 1 4 '3D 1H-15N NOESY' . . . 18954 1 5 '4D APSY HACANH' . . . 18954 1 6 '5D APSY HACACONH' . . . 18954 1 7 '5D APSY CBCACONH' . . . 18954 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 3 3 ILE H H 1 8.271 0.000 . 1 . . . A 3 ILE H . 18954 1 2 . 1 1 3 3 ILE HA H 1 4.115 0.000 . 1 . . . A 3 ILE HA . 18954 1 3 . 1 1 3 3 ILE HB H 1 1.732 0.000 . 1 . . . A 3 ILE HB . 18954 1 4 . 1 1 3 3 ILE HG12 H 1 1.052 0.000 . 1 . . . A 3 ILE HG12 . 18954 1 5 . 1 1 3 3 ILE CA C 13 58.302 0.000 . 1 . . . A 3 ILE CA . 18954 1 6 . 1 1 3 3 ILE CB C 13 36.212 0.000 . 1 . . . A 3 ILE CB . 18954 1 7 . 1 1 3 3 ILE CG1 C 13 24.702 0.000 . 1 . . . A 3 ILE CG1 . 18954 1 8 . 1 1 3 3 ILE N N 15 123.622 0.000 . 1 . . . A 3 ILE N . 18954 1 9 . 1 1 4 4 SER H H 1 8.425 0.000 . 1 . . . A 4 SER H . 18954 1 10 . 1 1 4 4 SER HA H 1 4.368 0.000 . 1 . . . A 4 SER HA . 18954 1 11 . 1 1 4 4 SER HB2 H 1 3.778 0.000 . 1 . . . A 4 SER HB2 . 18954 1 12 . 1 1 4 4 SER HB3 H 1 3.824 0.000 . 1 . . . A 4 SER HB3 . 18954 1 13 . 1 1 4 4 SER CA C 13 55.796 0.000 . 1 . . . A 4 SER CA . 18954 1 14 . 1 1 4 4 SER CB C 13 60.945 0.000 . 1 . . . A 4 SER CB . 18954 1 15 . 1 1 4 4 SER N N 15 120.605 0.000 . 1 . . . A 4 SER N . 18954 1 16 . 1 1 5 5 GLY H H 1 8.406 0.000 . 1 . . . A 5 GLY H . 18954 1 17 . 1 1 5 5 GLY HA2 H 1 3.900 0.000 . 1 . . . A 5 GLY QA . 18954 1 18 . 1 1 5 5 GLY HA3 H 1 3.900 0.000 . 1 . . . A 5 GLY QA . 18954 1 19 . 1 1 5 5 GLY CA C 13 42.781 0.000 . 1 . . . A 5 GLY CA . 18954 1 20 . 1 1 5 5 GLY N N 15 111.455 0.000 . 1 . . . A 5 GLY N . 18954 1 21 . 1 1 6 6 ALA H H 1 8.103 0.000 . 1 . . . A 6 ALA H . 18954 1 22 . 1 1 6 6 ALA HA H 1 4.319 0.000 . 1 . . . A 6 ALA HA . 18954 1 23 . 1 1 6 6 ALA HB1 H 1 1.308 0.000 . 1 . . . A 6 ALA QB . 18954 1 24 . 1 1 6 6 ALA HB2 H 1 1.308 0.000 . 1 . . . A 6 ALA QB . 18954 1 25 . 1 1 6 6 ALA HB3 H 1 1.308 0.000 . 1 . . . A 6 ALA QB . 18954 1 26 . 1 1 6 6 ALA CA C 13 49.894 0.000 . 1 . . . A 6 ALA CA . 18954 1 27 . 1 1 6 6 ALA CB C 13 16.928 0.000 . 1 . . . A 6 ALA CB . 18954 1 28 . 1 1 6 6 ALA N N 15 123.660 0.000 . 1 . . . A 6 ALA N . 18954 1 29 . 1 1 7 7 THR H H 1 8.108 0.000 . 1 . . . A 7 THR H . 18954 1 30 . 1 1 7 7 THR HA H 1 4.309 0.000 . 1 . . . A 7 THR HA . 18954 1 31 . 1 1 7 7 THR HB H 1 4.190 0.000 . 1 . . . A 7 THR HB . 18954 1 32 . 1 1 7 7 THR HG21 H 1 1.124 0.000 . 1 . . . A 7 THR QG2 . 18954 1 33 . 1 1 7 7 THR HG22 H 1 1.124 0.000 . 1 . . . A 7 THR QG2 . 18954 1 34 . 1 1 7 7 THR HG23 H 1 1.124 0.000 . 1 . . . A 7 THR QG2 . 18954 1 35 . 1 1 7 7 THR CA C 13 58.886 0.000 . 1 . . . A 7 THR CA . 18954 1 36 . 1 1 7 7 THR CB C 13 67.461 0.000 . 1 . . . A 7 THR CB . 18954 1 37 . 1 1 7 7 THR CG2 C 13 19.050 0.000 . 1 . . . A 7 THR CG2 . 18954 1 38 . 1 1 7 7 THR N N 15 113.014 0.000 . 1 . . . A 7 THR N . 18954 1 39 . 1 1 8 8 SER H H 1 8.222 0.000 . 1 . . . A 8 SER H . 18954 1 40 . 1 1 8 8 SER HA H 1 4.434 0.000 . 1 . . . A 8 SER HA . 18954 1 41 . 1 1 8 8 SER HB2 H 1 3.825 0.000 . 1 . . . A 8 SER HB2 . 18954 1 42 . 1 1 8 8 SER HB3 H 1 3.777 0.000 . 1 . . . A 8 SER HB3 . 18954 1 43 . 1 1 8 8 SER CA C 13 55.537 0.000 . 1 . . . A 8 SER CA . 18954 1 44 . 1 1 8 8 SER CB C 13 61.305 0.000 . 1 . . . A 8 SER CB . 18954 1 45 . 1 1 8 8 SER N N 15 118.032 0.000 . 1 . . . A 8 SER N . 18954 1 46 . 1 1 9 9 VAL H H 1 8.098 0.000 . 1 . . . A 9 VAL H . 18954 1 47 . 1 1 9 9 VAL HA H 1 4.022 0.000 . 1 . . . A 9 VAL HA . 18954 1 48 . 1 1 9 9 VAL HB H 1 2.013 0.000 . 1 . . . A 9 VAL HB . 18954 1 49 . 1 1 9 9 VAL HG11 H 1 0.843 0.000 . 1 . . . A 9 VAL QG1 . 18954 1 50 . 1 1 9 9 VAL HG12 H 1 0.843 0.000 . 1 . . . A 9 VAL QG1 . 18954 1 51 . 1 1 9 9 VAL HG13 H 1 0.843 0.000 . 1 . . . A 9 VAL QG1 . 18954 1 52 . 1 1 9 9 VAL HG21 H 1 0.839 0.000 . 1 . . . A 9 VAL QG2 . 18954 1 53 . 1 1 9 9 VAL HG22 H 1 0.839 0.000 . 1 . . . A 9 VAL QG2 . 18954 1 54 . 1 1 9 9 VAL HG23 H 1 0.839 0.000 . 1 . . . A 9 VAL QG2 . 18954 1 55 . 1 1 9 9 VAL CA C 13 60.014 0.000 . 1 . . . A 9 VAL CA . 18954 1 56 . 1 1 9 9 VAL CB C 13 30.139 0.000 . 1 . . . A 9 VAL CB . 18954 1 57 . 1 1 9 9 VAL CG1 C 13 17.765 0.000 . 1 . . . A 9 VAL CG1 . 18954 1 58 . 1 1 9 9 VAL CG2 C 13 18.755 0.000 . 1 . . . A 9 VAL CG2 . 18954 1 59 . 1 1 9 9 VAL N N 15 121.129 0.000 . 1 . . . A 9 VAL N . 18954 1 60 . 1 1 10 10 ASP H H 1 8.242 0.000 . 1 . . . A 10 ASP H . 18954 1 61 . 1 1 10 10 ASP HA H 1 4.503 0.000 . 1 . . . A 10 ASP HA . 18954 1 62 . 1 1 10 10 ASP HB2 H 1 2.554 0.000 . 1 . . . A 10 ASP HB2 . 18954 1 63 . 1 1 10 10 ASP HB3 H 1 2.650 0.000 . 1 . . . A 10 ASP HB3 . 18954 1 64 . 1 1 10 10 ASP CA C 13 51.635 0.000 . 1 . . . A 10 ASP CA . 18954 1 65 . 1 1 10 10 ASP CB C 13 38.671 0.000 . 1 . . . A 10 ASP CB . 18954 1 66 . 1 1 10 10 ASP N N 15 123.102 0.000 . 1 . . . A 10 ASP N . 18954 1 67 . 1 1 11 11 GLN H H 1 8.247 0.000 . 1 . . . A 11 GLN H . 18954 1 68 . 1 1 11 11 GLN HA H 1 4.165 0.000 . 1 . . . A 11 GLN HA . 18954 1 69 . 1 1 11 11 GLN HB2 H 1 1.923 0.000 . 1 . . . A 11 GLN HB2 . 18954 1 70 . 1 1 11 11 GLN HB3 H 1 2.067 0.000 . 1 . . . A 11 GLN HB3 . 18954 1 71 . 1 1 11 11 GLN HG2 H 1 2.280 0.000 . 1 . . . A 11 GLN QG . 18954 1 72 . 1 1 11 11 GLN HG3 H 1 2.280 0.000 . 1 . . . A 11 GLN QG . 18954 1 73 . 1 1 11 11 GLN HE21 H 1 6.779 0.000 . 1 . . . A 11 GLN HE21 . 18954 1 74 . 1 1 11 11 GLN HE22 H 1 7.424 0.000 . 1 . . . A 11 GLN HE22 . 18954 1 75 . 1 1 11 11 GLN CA C 13 53.773 0.000 . 1 . . . A 11 GLN CA . 18954 1 76 . 1 1 11 11 GLN CB C 13 26.558 0.000 . 1 . . . A 11 GLN CB . 18954 1 77 . 1 1 11 11 GLN CG C 13 31.453 0.000 . 1 . . . A 11 GLN CG . 18954 1 78 . 1 1 11 11 GLN N N 15 121.449 0.000 . 1 . . . A 11 GLN N . 18954 1 79 . 1 1 11 11 GLN NE2 N 15 112.663 0.000 . 1 . . . A 11 GLN NE2 . 18954 1 80 . 1 1 12 12 ARG H H 1 8.215 0.000 . 1 . . . A 12 ARG H . 18954 1 81 . 1 1 12 12 ARG HA H 1 4.227 0.000 . 1 . . . A 12 ARG HA . 18954 1 82 . 1 1 12 12 ARG HB2 H 1 1.731 0.000 . 1 . . . A 12 ARG HB2 . 18954 1 83 . 1 1 12 12 ARG HB3 H 1 1.763 0.000 . 1 . . . A 12 ARG HB3 . 18954 1 84 . 1 1 12 12 ARG HG2 H 1 1.551 0.000 . 1 . . . A 12 ARG HG2 . 18954 1 85 . 1 1 12 12 ARG HG3 H 1 1.578 0.000 . 1 . . . A 12 ARG HG3 . 18954 1 86 . 1 1 12 12 ARG HD2 H 1 3.113 0.000 . 1 . . . A 12 ARG QD . 18954 1 87 . 1 1 12 12 ARG HD3 H 1 3.113 0.000 . 1 . . . A 12 ARG QD . 18954 1 88 . 1 1 12 12 ARG CA C 13 59.634 0.000 . 1 . . . A 12 ARG CA . 18954 1 89 . 1 1 12 12 ARG CB C 13 28.284 0.000 . 1 . . . A 12 ARG CB . 18954 1 90 . 1 1 12 12 ARG CG C 13 24.550 0.000 . 1 . . . A 12 ARG CG . 18954 1 91 . 1 1 12 12 ARG CD C 13 40.838 0.000 . 1 . . . A 12 ARG CD . 18954 1 92 . 1 1 12 12 ARG N N 15 121.029 0.000 . 1 . . . A 12 ARG N . 18954 1 93 . 1 1 13 13 SER H H 1 8.483 0.000 . 1 . . . A 13 SER H . 18954 1 94 . 1 1 13 13 SER HA H 1 4.327 0.000 . 1 . . . A 13 SER HA . 18954 1 95 . 1 1 13 13 SER HB2 H 1 3.824 0.000 . 1 . . . A 13 SER HB2 . 18954 1 96 . 1 1 13 13 SER HB3 H 1 3.778 0.000 . 1 . . . A 13 SER HB3 . 18954 1 97 . 1 1 13 13 SER CA C 13 56.317 0.000 . 1 . . . A 13 SER CA . 18954 1 98 . 1 1 13 13 SER CB C 13 61.153 0.000 . 1 . . . A 13 SER CB . 18954 1 99 . 1 1 13 13 SER N N 15 121.168 0.000 . 1 . . . A 13 SER N . 18954 1 100 . 1 1 14 14 LEU H H 1 8.124 0.000 . 1 . . . A 14 LEU H . 18954 1 101 . 1 1 14 14 LEU HA H 1 4.247 0.000 . 1 . . . A 14 LEU HA . 18954 1 102 . 1 1 14 14 LEU HB2 H 1 1.567 0.000 . 1 . . . A 14 LEU HB2 . 18954 1 103 . 1 1 14 14 LEU HB3 H 1 1.511 0.000 . 1 . . . A 14 LEU HB3 . 18954 1 104 . 1 1 14 14 LEU HG H 1 1.559 0.000 . 1 . . . A 14 LEU HG . 18954 1 105 . 1 1 14 14 LEU HD11 H 1 0.804 0.000 . 1 . . . A 14 LEU QD1 . 18954 1 106 . 1 1 14 14 LEU HD12 H 1 0.804 0.000 . 1 . . . A 14 LEU QD1 . 18954 1 107 . 1 1 14 14 LEU HD13 H 1 0.804 0.000 . 1 . . . A 14 LEU QD1 . 18954 1 108 . 1 1 14 14 LEU HD21 H 1 0.754 0.000 . 1 . . . A 14 LEU QD2 . 18954 1 109 . 1 1 14 14 LEU HD22 H 1 0.754 0.000 . 1 . . . A 14 LEU QD2 . 18954 1 110 . 1 1 14 14 LEU HD23 H 1 0.754 0.000 . 1 . . . A 14 LEU QD2 . 18954 1 111 . 1 1 14 14 LEU CA C 13 52.873 0.000 . 1 . . . A 14 LEU CA . 18954 1 112 . 1 1 14 14 LEU CB C 13 39.689 0.000 . 1 . . . A 14 LEU CB . 18954 1 113 . 1 1 14 14 LEU CG C 13 24.580 0.000 . 1 . . . A 14 LEU CG . 18954 1 114 . 1 1 14 14 LEU CD1 C 13 22.597 0.000 . 1 . . . A 14 LEU CD1 . 18954 1 115 . 1 1 14 14 LEU CD2 C 13 20.739 0.000 . 1 . . . A 14 LEU CD2 . 18954 1 116 . 1 1 14 14 LEU N N 15 115.731 0.000 . 1 . . . A 14 LEU N . 18954 1 117 . 1 1 15 15 ILE H H 1 7.859 0.000 . 1 . . . A 15 ILE H . 18954 1 118 . 1 1 15 15 ILE HA H 1 3.997 0.000 . 1 . . . A 15 ILE HA . 18954 1 119 . 1 1 15 15 ILE HB H 1 1.734 0.000 . 1 . . . A 15 ILE HB . 18954 1 120 . 1 1 15 15 ILE HG12 H 1 1.375 0.000 . 1 . . . A 15 ILE HG12 . 18954 1 121 . 1 1 15 15 ILE HG13 H 1 1.050 0.000 . 1 . . . A 15 ILE HG13 . 18954 1 122 . 1 1 15 15 ILE HG21 H 1 0.784 0.000 . 1 . . . A 15 ILE QG2 . 18954 1 123 . 1 1 15 15 ILE HG22 H 1 0.784 0.000 . 1 . . . A 15 ILE QG2 . 18954 1 124 . 1 1 15 15 ILE HG23 H 1 0.784 0.000 . 1 . . . A 15 ILE QG2 . 18954 1 125 . 1 1 15 15 ILE HD11 H 1 0.720 0.000 . 1 . . . A 15 ILE QD1 . 18954 1 126 . 1 1 15 15 ILE HD12 H 1 0.720 0.000 . 1 . . . A 15 ILE QD1 . 18954 1 127 . 1 1 15 15 ILE HD13 H 1 0.720 0.000 . 1 . . . A 15 ILE QD1 . 18954 1 128 . 1 1 15 15 ILE CA C 13 58.840 0.000 . 1 . . . A 15 ILE CA . 18954 1 129 . 1 1 15 15 ILE CB C 13 36.205 0.000 . 1 . . . A 15 ILE CB . 18954 1 130 . 1 1 15 15 ILE CG1 C 13 24.919 0.000 . 1 . . . A 15 ILE CG1 . 18954 1 131 . 1 1 15 15 ILE CG2 C 13 14.799 0.000 . 1 . . . A 15 ILE CG2 . 18954 1 132 . 1 1 15 15 ILE CD1 C 13 10.339 0.000 . 1 . . . A 15 ILE CD1 . 18954 1 133 . 1 1 15 15 ILE N N 15 119.991 0.000 . 1 . . . A 15 ILE N . 18954 1 134 . 1 1 16 16 ASN H H 1 8.014 0.000 . 1 . . . A 16 ASN H . 18954 1 135 . 1 1 16 16 ASN HA H 1 4.713 0.000 . 1 . . . A 16 ASN HA . 18954 1 136 . 1 1 16 16 ASN HB2 H 1 2.705 0.000 . 1 . . . A 16 ASN HB2 . 18954 1 137 . 1 1 16 16 ASN HB3 H 1 2.634 0.000 . 1 . . . A 16 ASN HB3 . 18954 1 138 . 1 1 16 16 ASN HD21 H 1 6.705 0.000 . 1 . . . A 16 ASN HD21 . 18954 1 139 . 1 1 16 16 ASN HD22 H 1 7.493 0.000 . 1 . . . A 16 ASN HD22 . 18954 1 140 . 1 1 16 16 ASN CB C 13 36.453 0.000 . 1 . . . A 16 ASN CB . 18954 1 141 . 1 1 16 16 ASN N N 15 120.780 0.000 . 1 . . . A 16 ASN N . 18954 1 142 . 1 1 16 16 ASN ND2 N 15 113.116 0.000 . 1 . . . A 16 ASN ND2 . 18954 1 143 . 1 1 17 17 SER H H 1 8.121 0.000 . 1 . . . A 17 SER H . 18954 1 144 . 1 1 17 17 SER HA H 1 4.300 0.000 . 1 . . . A 17 SER HA . 18954 1 145 . 1 1 17 17 SER HB2 H 1 3.777 0.000 . 1 . . . A 17 SER HB2 . 18954 1 146 . 1 1 17 17 SER HB3 H 1 3.814 0.000 . 1 . . . A 17 SER HB3 . 18954 1 147 . 1 1 17 17 SER CA C 13 56.001 0.000 . 1 . . . A 17 SER CA . 18954 1 148 . 1 1 17 17 SER CB C 13 60.894 0.000 . 1 . . . A 17 SER CB . 18954 1 149 . 1 1 17 17 SER N N 15 115.640 0.000 . 1 . . . A 17 SER N . 18954 1 150 . 1 1 18 18 ASN H H 1 8.376 0.000 . 1 . . . A 18 ASN H . 18954 1 151 . 1 1 18 18 ASN HA H 1 4.731 0.000 . 1 . . . A 18 ASN HA . 18954 1 152 . 1 1 18 18 ASN HB2 H 1 2.751 0.000 . 1 . . . A 18 ASN HB2 . 18954 1 153 . 1 1 18 18 ASN HB3 H 1 2.707 0.000 . 1 . . . A 18 ASN HB3 . 18954 1 154 . 1 1 18 18 ASN HD21 H 1 7.481 0.000 . 1 . . . A 18 ASN HD21 . 18954 1 155 . 1 1 18 18 ASN HD22 H 1 6.787 0.000 . 1 . . . A 18 ASN HD22 . 18954 1 156 . 1 1 18 18 ASN CB C 13 36.293 0.000 . 1 . . . A 18 ASN CB . 18954 1 157 . 1 1 18 18 ASN N N 15 121.876 0.000 . 1 . . . A 18 ASN N . 18954 1 158 . 1 1 18 18 ASN ND2 N 15 112.732 0.000 . 1 . . . A 18 ASN ND2 . 18954 1 159 . 1 1 19 19 VAL H H 1 8.022 0.000 . 1 . . . A 19 VAL H . 18954 1 160 . 1 1 19 19 VAL HA H 1 4.029 0.000 . 1 . . . A 19 VAL HA . 18954 1 161 . 1 1 19 19 VAL HB H 1 2.042 0.000 . 1 . . . A 19 VAL HB . 18954 1 162 . 1 1 19 19 VAL HG11 H 1 0.909 0.000 . 1 . . . A 19 VAL QG1 . 18954 1 163 . 1 1 19 19 VAL HG12 H 1 0.909 0.000 . 1 . . . A 19 VAL QG1 . 18954 1 164 . 1 1 19 19 VAL HG13 H 1 0.909 0.000 . 1 . . . A 19 VAL QG1 . 18954 1 165 . 1 1 19 19 VAL HG21 H 1 0.874 0.000 . 1 . . . A 19 VAL QG2 . 18954 1 166 . 1 1 19 19 VAL HG22 H 1 0.874 0.000 . 1 . . . A 19 VAL QG2 . 18954 1 167 . 1 1 19 19 VAL HG23 H 1 0.874 0.000 . 1 . . . A 19 VAL QG2 . 18954 1 168 . 1 1 19 19 VAL CA C 13 60.348 0.000 . 1 . . . A 19 VAL CA . 18954 1 169 . 1 1 19 19 VAL CB C 13 29.903 0.000 . 1 . . . A 19 VAL CB . 18954 1 170 . 1 1 19 19 VAL CG1 C 13 18.241 0.000 . 1 . . . A 19 VAL CG1 . 18954 1 171 . 1 1 19 19 VAL CG2 C 13 18.731 0.000 . 1 . . . A 19 VAL CG2 . 18954 1 172 . 1 1 19 19 VAL N N 15 120.480 0.000 . 1 . . . A 19 VAL N . 18954 1 173 . 1 1 20 20 GLY H H 1 8.567 0.000 . 1 . . . A 20 GLY H . 18954 1 174 . 1 1 20 20 GLY HA2 H 1 3.720 0.000 . 1 . . . A 20 GLY HA2 . 18954 1 175 . 1 1 20 20 GLY HA3 H 1 3.932 0.000 . 1 . . . A 20 GLY HA3 . 18954 1 176 . 1 1 20 20 GLY CA C 13 42.698 0.000 . 1 . . . A 20 GLY CA . 18954 1 177 . 1 1 20 20 GLY N N 15 112.265 0.000 . 1 . . . A 20 GLY N . 18954 1 178 . 1 1 21 21 PHE H H 1 7.917 0.000 . 1 . . . A 21 PHE H . 18954 1 179 . 1 1 21 21 PHE HA H 1 5.133 0.000 . 1 . . . A 21 PHE HA . 18954 1 180 . 1 1 21 21 PHE HB2 H 1 2.697 0.000 . 1 . . . A 21 PHE QB . 18954 1 181 . 1 1 21 21 PHE HB3 H 1 2.697 0.000 . 1 . . . A 21 PHE QB . 18954 1 182 . 1 1 21 21 PHE HD1 H 1 6.834 0.000 . 1 . . . A 21 PHE QD . 18954 1 183 . 1 1 21 21 PHE HD2 H 1 6.834 0.000 . 1 . . . A 21 PHE QD . 18954 1 184 . 1 1 21 21 PHE HE1 H 1 7.232 0.000 . 1 . . . A 21 PHE QE . 18954 1 185 . 1 1 21 21 PHE HE2 H 1 7.232 0.000 . 1 . . . A 21 PHE QE . 18954 1 186 . 1 1 21 21 PHE HZ H 1 7.240 0.000 . 1 . . . A 21 PHE HZ . 18954 1 187 . 1 1 21 21 PHE CA C 13 54.358 0.000 . 1 . . . A 21 PHE CA . 18954 1 188 . 1 1 21 21 PHE CB C 13 40.894 0.000 . 1 . . . A 21 PHE CB . 18954 1 189 . 1 1 21 21 PHE CD2 C 13 129.245 0.000 . 1 . . . A 21 PHE CD2 . 18954 1 190 . 1 1 21 21 PHE CE2 C 13 128.982 0.000 . 1 . . . A 21 PHE CE2 . 18954 1 191 . 1 1 21 21 PHE CZ C 13 127.512 0.000 . 1 . . . A 21 PHE CZ . 18954 1 192 . 1 1 21 21 PHE N N 15 119.701 0.000 . 1 . . . A 21 PHE N . 18954 1 193 . 1 1 22 22 VAL H H 1 9.221 0.000 . 1 . . . A 22 VAL H . 18954 1 194 . 1 1 22 22 VAL HA H 1 4.261 0.000 . 1 . . . A 22 VAL HA . 18954 1 195 . 1 1 22 22 VAL HB H 1 1.676 0.000 . 1 . . . A 22 VAL HB . 18954 1 196 . 1 1 22 22 VAL HG11 H 1 0.837 0.000 . 1 . . . A 22 VAL QQG . 18954 1 197 . 1 1 22 22 VAL HG12 H 1 0.837 0.000 . 1 . . . A 22 VAL QQG . 18954 1 198 . 1 1 22 22 VAL HG13 H 1 0.837 0.000 . 1 . . . A 22 VAL QQG . 18954 1 199 . 1 1 22 22 VAL HG21 H 1 0.837 0.000 . 1 . . . A 22 VAL QQG . 18954 1 200 . 1 1 22 22 VAL HG22 H 1 0.837 0.000 . 1 . . . A 22 VAL QQG . 18954 1 201 . 1 1 22 22 VAL HG23 H 1 0.837 0.000 . 1 . . . A 22 VAL QQG . 18954 1 202 . 1 1 22 22 VAL CA C 13 57.972 0.000 . 1 . . . A 22 VAL CA . 18954 1 203 . 1 1 22 22 VAL CB C 13 33.078 0.000 . 1 . . . A 22 VAL CB . 18954 1 204 . 1 1 22 22 VAL CG2 C 13 19.392 0.000 . 1 . . . A 22 VAL CG2 . 18954 1 205 . 1 1 22 22 VAL N N 15 120.733 0.000 . 1 . . . A 22 VAL N . 18954 1 206 . 1 1 23 23 THR H H 1 8.403 0.000 . 1 . . . A 23 THR H . 18954 1 207 . 1 1 23 23 THR HA H 1 4.967 0.000 . 1 . . . A 23 THR HA . 18954 1 208 . 1 1 23 23 THR HB H 1 3.657 0.000 . 1 . . . A 23 THR HB . 18954 1 209 . 1 1 23 23 THR HG21 H 1 0.977 0.000 . 1 . . . A 23 THR QG2 . 18954 1 210 . 1 1 23 23 THR HG22 H 1 0.977 0.000 . 1 . . . A 23 THR QG2 . 18954 1 211 . 1 1 23 23 THR HG23 H 1 0.977 0.000 . 1 . . . A 23 THR QG2 . 18954 1 212 . 1 1 23 23 THR CA C 13 59.731 0.000 . 1 . . . A 23 THR CA . 18954 1 213 . 1 1 23 23 THR CB C 13 66.715 0.000 . 1 . . . A 23 THR CB . 18954 1 214 . 1 1 23 23 THR CG2 C 13 20.157 0.000 . 1 . . . A 23 THR CG2 . 18954 1 215 . 1 1 23 23 THR N N 15 123.388 0.000 . 1 . . . A 23 THR N . 18954 1 216 . 1 1 24 24 MET H H 1 9.289 0.000 . 1 . . . A 24 MET H . 18954 1 217 . 1 1 24 24 MET HA H 1 4.702 0.000 . 1 . . . A 24 MET HA . 18954 1 218 . 1 1 24 24 MET HB2 H 1 1.282 0.000 . 1 . . . A 24 MET HB2 . 18954 1 219 . 1 1 24 24 MET HB3 H 1 0.489 0.000 . 1 . . . A 24 MET HB3 . 18954 1 220 . 1 1 24 24 MET HG2 H 1 2.151 0.000 . 1 . . . A 24 MET HG2 . 18954 1 221 . 1 1 24 24 MET HG3 H 1 2.005 0.000 . 1 . . . A 24 MET HG3 . 18954 1 222 . 1 1 24 24 MET HE1 H 1 1.591 0.000 . 1 . . . A 24 MET QE . 18954 1 223 . 1 1 24 24 MET HE2 H 1 1.591 0.000 . 1 . . . A 24 MET QE . 18954 1 224 . 1 1 24 24 MET HE3 H 1 1.591 0.000 . 1 . . . A 24 MET QE . 18954 1 225 . 1 1 24 24 MET CA C 13 51.056 0.000 . 1 . . . A 24 MET CA . 18954 1 226 . 1 1 24 24 MET CB C 13 32.115 0.000 . 1 . . . A 24 MET CB . 18954 1 227 . 1 1 24 24 MET CG C 13 31.212 0.000 . 1 . . . A 24 MET CG . 18954 1 228 . 1 1 24 24 MET CE C 13 14.723 0.000 . 1 . . . A 24 MET CE . 18954 1 229 . 1 1 24 24 MET N N 15 125.957 0.000 . 1 . . . A 24 MET N . 18954 1 230 . 1 1 25 25 ILE H H 1 8.572 0.000 . 1 . . . A 25 ILE H . 18954 1 231 . 1 1 25 25 ILE HA H 1 4.399 0.000 . 1 . . . A 25 ILE HA . 18954 1 232 . 1 1 25 25 ILE HB H 1 1.553 0.000 . 1 . . . A 25 ILE HB . 18954 1 233 . 1 1 25 25 ILE HG12 H 1 1.263 0.000 . 1 . . . A 25 ILE QG1 . 18954 1 234 . 1 1 25 25 ILE HG13 H 1 1.263 0.000 . 1 . . . A 25 ILE QG1 . 18954 1 235 . 1 1 25 25 ILE HG21 H 1 0.708 0.000 . 1 . . . A 25 ILE QG2 . 18954 1 236 . 1 1 25 25 ILE HG22 H 1 0.708 0.000 . 1 . . . A 25 ILE QG2 . 18954 1 237 . 1 1 25 25 ILE HG23 H 1 0.708 0.000 . 1 . . . A 25 ILE QG2 . 18954 1 238 . 1 1 25 25 ILE HD11 H 1 0.647 0.000 . 1 . . . A 25 ILE QD1 . 18954 1 239 . 1 1 25 25 ILE HD12 H 1 0.647 0.000 . 1 . . . A 25 ILE QD1 . 18954 1 240 . 1 1 25 25 ILE HD13 H 1 0.647 0.000 . 1 . . . A 25 ILE QD1 . 18954 1 241 . 1 1 25 25 ILE CA C 13 56.759 0.000 . 1 . . . A 25 ILE CA . 18954 1 242 . 1 1 25 25 ILE CB C 13 37.870 0.000 . 1 . . . A 25 ILE CB . 18954 1 243 . 1 1 25 25 ILE CG1 C 13 24.978 0.000 . 1 . . . A 25 ILE CG1 . 18954 1 244 . 1 1 25 25 ILE CG2 C 13 14.967 0.000 . 1 . . . A 25 ILE CG2 . 18954 1 245 . 1 1 25 25 ILE CD1 C 13 10.614 0.000 . 1 . . . A 25 ILE CD1 . 18954 1 246 . 1 1 25 25 ILE N N 15 117.652 0.000 . 1 . . . A 25 ILE N . 18954 1 247 . 1 1 26 26 LEU H H 1 8.901 0.000 . 1 . . . A 26 LEU H . 18954 1 248 . 1 1 26 26 LEU HA H 1 5.214 0.000 . 1 . . . A 26 LEU HA . 18954 1 249 . 1 1 26 26 LEU HB2 H 1 2.056 0.000 . 1 . . . A 26 LEU HB2 . 18954 1 250 . 1 1 26 26 LEU HB3 H 1 0.960 0.000 . 1 . . . A 26 LEU HB3 . 18954 1 251 . 1 1 26 26 LEU HG H 1 1.720 0.000 . 1 . . . A 26 LEU HG . 18954 1 252 . 1 1 26 26 LEU HD11 H 1 0.398 0.000 . 1 . . . A 26 LEU QD1 . 18954 1 253 . 1 1 26 26 LEU HD12 H 1 0.398 0.000 . 1 . . . A 26 LEU QD1 . 18954 1 254 . 1 1 26 26 LEU HD13 H 1 0.398 0.000 . 1 . . . A 26 LEU QD1 . 18954 1 255 . 1 1 26 26 LEU HD21 H 1 0.362 0.000 . 1 . . . A 26 LEU QD2 . 18954 1 256 . 1 1 26 26 LEU HD22 H 1 0.362 0.000 . 1 . . . A 26 LEU QD2 . 18954 1 257 . 1 1 26 26 LEU HD23 H 1 0.362 0.000 . 1 . . . A 26 LEU QD2 . 18954 1 258 . 1 1 26 26 LEU CA C 13 50.111 0.000 . 1 . . . A 26 LEU CA . 18954 1 259 . 1 1 26 26 LEU CB C 13 41.363 0.000 . 1 . . . A 26 LEU CB . 18954 1 260 . 1 1 26 26 LEU CG C 13 24.777 0.000 . 1 . . . A 26 LEU CG . 18954 1 261 . 1 1 26 26 LEU CD1 C 13 23.587 0.000 . 1 . . . A 26 LEU CD1 . 18954 1 262 . 1 1 26 26 LEU CD2 C 13 21.731 0.000 . 1 . . . A 26 LEU CD2 . 18954 1 263 . 1 1 26 26 LEU N N 15 130.281 0.000 . 1 . . . A 26 LEU N . 18954 1 264 . 1 1 27 27 GLN H H 1 9.330 0.000 . 1 . . . A 27 GLN H . 18954 1 265 . 1 1 27 27 GLN HA H 1 4.773 0.000 . 1 . . . A 27 GLN HA . 18954 1 266 . 1 1 27 27 GLN HB2 H 1 1.960 0.000 . 1 . . . A 27 GLN HB2 . 18954 1 267 . 1 1 27 27 GLN HB3 H 1 2.077 0.000 . 1 . . . A 27 GLN HB3 . 18954 1 268 . 1 1 27 27 GLN HG2 H 1 2.171 0.000 . 1 . . . A 27 GLN HG2 . 18954 1 269 . 1 1 27 27 GLN HG3 H 1 2.288 0.000 . 1 . . . A 27 GLN HG3 . 18954 1 270 . 1 1 27 27 GLN HE21 H 1 6.610 0.000 . 1 . . . A 27 GLN HE21 . 18954 1 271 . 1 1 27 27 GLN HE22 H 1 7.421 0.000 . 1 . . . A 27 GLN HE22 . 18954 1 272 . 1 1 27 27 GLN CB C 13 29.511 0.000 . 1 . . . A 27 GLN CB . 18954 1 273 . 1 1 27 27 GLN CG C 13 32.379 0.000 . 1 . . . A 27 GLN CG . 18954 1 274 . 1 1 27 27 GLN N N 15 125.400 0.000 . 1 . . . A 27 GLN N . 18954 1 275 . 1 1 27 27 GLN NE2 N 15 111.536 0.000 . 1 . . . A 27 GLN NE2 . 18954 1 276 . 1 1 28 28 CYS H H 1 8.585 0.000 . 1 . . . A 28 CYS H . 18954 1 277 . 1 1 28 28 CYS HA H 1 5.123 0.000 . 1 . . . A 28 CYS HA . 18954 1 278 . 1 1 28 28 CYS HB2 H 1 2.494 0.000 . 1 . . . A 28 CYS QB . 18954 1 279 . 1 1 28 28 CYS HB3 H 1 2.494 0.000 . 1 . . . A 28 CYS QB . 18954 1 280 . 1 1 28 28 CYS CA C 13 53.035 0.000 . 1 . . . A 28 CYS CA . 18954 1 281 . 1 1 28 28 CYS CB C 13 29.179 0.000 . 1 . . . A 28 CYS CB . 18954 1 282 . 1 1 28 28 CYS N N 15 124.065 0.000 . 1 . . . A 28 CYS N . 18954 1 283 . 1 1 29 29 SER H H 1 8.519 0.000 . 1 . . . A 29 SER H . 18954 1 284 . 1 1 29 29 SER HA H 1 4.160 0.000 . 1 . . . A 29 SER HA . 18954 1 285 . 1 1 29 29 SER HB2 H 1 3.922 0.000 . 1 . . . A 29 SER QB . 18954 1 286 . 1 1 29 29 SER HB3 H 1 3.922 0.000 . 1 . . . A 29 SER QB . 18954 1 287 . 1 1 29 29 SER CA C 13 57.073 0.000 . 1 . . . A 29 SER CA . 18954 1 288 . 1 1 29 29 SER CB C 13 60.725 0.000 . 1 . . . A 29 SER CB . 18954 1 289 . 1 1 29 29 SER N N 15 121.076 0.000 . 1 . . . A 29 SER N . 18954 1 290 . 1 1 30 30 ILE H H 1 7.343 0.000 . 1 . . . A 30 ILE H . 18954 1 291 . 1 1 30 30 ILE HA H 1 4.308 0.000 . 1 . . . A 30 ILE HA . 18954 1 292 . 1 1 30 30 ILE HB H 1 1.659 0.000 . 1 . . . A 30 ILE HB . 18954 1 293 . 1 1 30 30 ILE HG12 H 1 1.127 0.000 . 1 . . . A 30 ILE QG1 . 18954 1 294 . 1 1 30 30 ILE HG13 H 1 1.127 0.000 . 1 . . . A 30 ILE QG1 . 18954 1 295 . 1 1 30 30 ILE HG21 H 1 0.721 0.000 . 1 . . . A 30 ILE QG2 . 18954 1 296 . 1 1 30 30 ILE HG22 H 1 0.721 0.000 . 1 . . . A 30 ILE QG2 . 18954 1 297 . 1 1 30 30 ILE HG23 H 1 0.721 0.000 . 1 . . . A 30 ILE QG2 . 18954 1 298 . 1 1 30 30 ILE HD11 H 1 0.650 0.000 . 1 . . . A 30 ILE QD1 . 18954 1 299 . 1 1 30 30 ILE HD12 H 1 0.650 0.000 . 1 . . . A 30 ILE QD1 . 18954 1 300 . 1 1 30 30 ILE HD13 H 1 0.650 0.000 . 1 . . . A 30 ILE QD1 . 18954 1 301 . 1 1 30 30 ILE CA C 13 56.581 0.000 . 1 . . . A 30 ILE CA . 18954 1 302 . 1 1 30 30 ILE CB C 13 39.391 0.000 . 1 . . . A 30 ILE CB . 18954 1 303 . 1 1 30 30 ILE CG1 C 13 23.827 0.000 . 1 . . . A 30 ILE CG1 . 18954 1 304 . 1 1 30 30 ILE CG2 C 13 15.409 0.000 . 1 . . . A 30 ILE CG2 . 18954 1 305 . 1 1 30 30 ILE CD1 C 13 10.900 0.000 . 1 . . . A 30 ILE CD1 . 18954 1 306 . 1 1 30 30 ILE N N 15 117.987 0.000 . 1 . . . A 30 ILE N . 18954 1 307 . 1 1 31 31 GLU H H 1 7.901 0.000 . 1 . . . A 31 GLU H . 18954 1 308 . 1 1 31 31 GLU HA H 1 3.678 0.000 . 1 . . . A 31 GLU HA . 18954 1 309 . 1 1 31 31 GLU HB2 H 1 1.622 0.000 . 1 . . . A 31 GLU HB2 . 18954 1 310 . 1 1 31 31 GLU HB3 H 1 1.758 0.000 . 1 . . . A 31 GLU HB3 . 18954 1 311 . 1 1 31 31 GLU HG2 H 1 1.859 0.000 . 1 . . . A 31 GLU HG2 . 18954 1 312 . 1 1 31 31 GLU HG3 H 1 2.184 0.000 . 1 . . . A 31 GLU HG3 . 18954 1 313 . 1 1 31 31 GLU CA C 13 54.224 0.000 . 1 . . . A 31 GLU CA . 18954 1 314 . 1 1 31 31 GLU CB C 13 27.361 0.000 . 1 . . . A 31 GLU CB . 18954 1 315 . 1 1 31 31 GLU CG C 13 33.715 0.000 . 1 . . . A 31 GLU CG . 18954 1 316 . 1 1 31 31 GLU N N 15 119.585 0.000 . 1 . . . A 31 GLU N . 18954 1 317 . 1 1 32 32 MET H H 1 8.406 0.000 . 1 . . . A 32 MET H . 18954 1 318 . 1 1 32 32 MET HA H 1 4.297 0.000 . 1 . . . A 32 MET HA . 18954 1 319 . 1 1 32 32 MET HB2 H 1 2.234 0.000 . 1 . . . A 32 MET HB2 . 18954 1 320 . 1 1 32 32 MET HB3 H 1 2.131 0.000 . 1 . . . A 32 MET HB3 . 18954 1 321 . 1 1 32 32 MET HG2 H 1 2.735 0.000 . 1 . . . A 32 MET QG . 18954 1 322 . 1 1 32 32 MET HG3 H 1 2.735 0.000 . 1 . . . A 32 MET QG . 18954 1 323 . 1 1 32 32 MET HE1 H 1 2.260 0.000 . 1 . . . A 32 MET QE . 18954 1 324 . 1 1 32 32 MET HE2 H 1 2.260 0.000 . 1 . . . A 32 MET QE . 18954 1 325 . 1 1 32 32 MET HE3 H 1 2.260 0.000 . 1 . . . A 32 MET QE . 18954 1 326 . 1 1 32 32 MET CA C 13 50.919 0.000 . 1 . . . A 32 MET CA . 18954 1 327 . 1 1 32 32 MET CB C 13 32.696 0.000 . 1 . . . A 32 MET CB . 18954 1 328 . 1 1 32 32 MET CG C 13 29.803 0.000 . 1 . . . A 32 MET CG . 18954 1 329 . 1 1 32 32 MET CE C 13 15.832 0.000 . 1 . . . A 32 MET CE . 18954 1 330 . 1 1 32 32 MET N N 15 126.504 0.000 . 1 . . . A 32 MET N . 18954 1 331 . 1 1 33 33 PRO HA H 1 4.191 0.000 . 1 . . . A 33 PRO HA . 18954 1 332 . 1 1 33 33 PRO HB2 H 1 2.297 0.000 . 1 . . . A 33 PRO HB2 . 18954 1 333 . 1 1 33 33 PRO HB3 H 1 1.782 0.000 . 1 . . . A 33 PRO HB3 . 18954 1 334 . 1 1 33 33 PRO HG2 H 1 1.793 0.000 . 1 . . . A 33 PRO HG2 . 18954 1 335 . 1 1 33 33 PRO HG3 H 1 1.699 0.000 . 1 . . . A 33 PRO HG3 . 18954 1 336 . 1 1 33 33 PRO HD2 H 1 3.579 0.000 . 1 . . . A 33 PRO HD2 . 18954 1 337 . 1 1 33 33 PRO HD3 H 1 2.412 0.000 . 1 . . . A 33 PRO HD3 . 18954 1 338 . 1 1 33 33 PRO CA C 13 61.767 0.000 . 1 . . . A 33 PRO CA . 18954 1 339 . 1 1 33 33 PRO CB C 13 30.026 0.000 . 1 . . . A 33 PRO CB . 18954 1 340 . 1 1 33 33 PRO CG C 13 25.107 0.000 . 1 . . . A 33 PRO CG . 18954 1 341 . 1 1 33 33 PRO CD C 13 47.363 0.000 . 1 . . . A 33 PRO CD . 18954 1 342 . 1 1 34 34 ASN H H 1 7.077 0.000 . 1 . . . A 34 ASN H . 18954 1 343 . 1 1 34 34 ASN HA H 1 4.816 0.000 . 1 . . . A 34 ASN HA . 18954 1 344 . 1 1 34 34 ASN HB2 H 1 3.200 0.000 . 1 . . . A 34 ASN HB2 . 18954 1 345 . 1 1 34 34 ASN HB3 H 1 3.119 0.000 . 1 . . . A 34 ASN HB3 . 18954 1 346 . 1 1 34 34 ASN HD21 H 1 7.964 0.000 . 1 . . . A 34 ASN HD21 . 18954 1 347 . 1 1 34 34 ASN HD22 H 1 7.223 0.000 . 1 . . . A 34 ASN HD22 . 18954 1 348 . 1 1 34 34 ASN CA C 13 49.972 0.000 . 1 . . . A 34 ASN CA . 18954 1 349 . 1 1 34 34 ASN CB C 13 38.137 0.000 . 1 . . . A 34 ASN CB . 18954 1 350 . 1 1 34 34 ASN N N 15 107.313 0.000 . 1 . . . A 34 ASN N . 18954 1 351 . 1 1 34 34 ASN ND2 N 15 116.451 0.000 . 1 . . . A 34 ASN ND2 . 18954 1 352 . 1 1 35 35 ILE H H 1 9.109 0.000 . 1 . . . A 35 ILE H . 18954 1 353 . 1 1 35 35 ILE HA H 1 3.943 0.000 . 1 . . . A 35 ILE HA . 18954 1 354 . 1 1 35 35 ILE HB H 1 1.673 0.000 . 1 . . . A 35 ILE HB . 18954 1 355 . 1 1 35 35 ILE HG12 H 1 1.134 0.000 . 1 . . . A 35 ILE HG12 . 18954 1 356 . 1 1 35 35 ILE HG13 H 1 1.016 0.000 . 1 . . . A 35 ILE HG13 . 18954 1 357 . 1 1 35 35 ILE HG21 H 1 0.787 0.000 . 1 . . . A 35 ILE QG2 . 18954 1 358 . 1 1 35 35 ILE HG22 H 1 0.787 0.000 . 1 . . . A 35 ILE QG2 . 18954 1 359 . 1 1 35 35 ILE HG23 H 1 0.787 0.000 . 1 . . . A 35 ILE QG2 . 18954 1 360 . 1 1 35 35 ILE HD11 H 1 0.309 0.000 . 1 . . . A 35 ILE QD1 . 18954 1 361 . 1 1 35 35 ILE HD12 H 1 0.309 0.000 . 1 . . . A 35 ILE QD1 . 18954 1 362 . 1 1 35 35 ILE HD13 H 1 0.309 0.000 . 1 . . . A 35 ILE QD1 . 18954 1 363 . 1 1 35 35 ILE CA C 13 61.775 0.000 . 1 . . . A 35 ILE CA . 18954 1 364 . 1 1 35 35 ILE CB C 13 36.390 0.000 . 1 . . . A 35 ILE CB . 18954 1 365 . 1 1 35 35 ILE CG1 C 13 26.925 0.000 . 1 . . . A 35 ILE CG1 . 18954 1 366 . 1 1 35 35 ILE CG2 C 13 14.606 0.000 . 1 . . . A 35 ILE CG2 . 18954 1 367 . 1 1 35 35 ILE CD1 C 13 11.427 0.000 . 1 . . . A 35 ILE CD1 . 18954 1 368 . 1 1 35 35 ILE N N 15 122.015 0.000 . 1 . . . A 35 ILE N . 18954 1 369 . 1 1 36 36 SER H H 1 8.936 0.000 . 1 . . . A 36 SER H . 18954 1 370 . 1 1 36 36 SER HA H 1 4.366 0.000 . 1 . . . A 36 SER HA . 18954 1 371 . 1 1 36 36 SER HB2 H 1 3.972 0.000 . 1 . . . A 36 SER QB . 18954 1 372 . 1 1 36 36 SER HB3 H 1 3.972 0.000 . 1 . . . A 36 SER QB . 18954 1 373 . 1 1 36 36 SER CA C 13 59.274 0.000 . 1 . . . A 36 SER CA . 18954 1 374 . 1 1 36 36 SER CB C 13 59.818 0.000 . 1 . . . A 36 SER CB . 18954 1 375 . 1 1 36 36 SER N N 15 119.851 0.000 . 1 . . . A 36 SER N . 18954 1 376 . 1 1 37 37 TYR H H 1 7.808 0.000 . 1 . . . A 37 TYR H . 18954 1 377 . 1 1 37 37 TYR HA H 1 4.203 0.000 . 1 . . . A 37 TYR HA . 18954 1 378 . 1 1 37 37 TYR HB2 H 1 3.330 0.000 . 1 . . . A 37 TYR HB2 . 18954 1 379 . 1 1 37 37 TYR HB3 H 1 3.404 0.000 . 1 . . . A 37 TYR HB3 . 18954 1 380 . 1 1 37 37 TYR HD1 H 1 7.427 0.000 . 1 . . . A 37 TYR QD . 18954 1 381 . 1 1 37 37 TYR HD2 H 1 7.427 0.000 . 1 . . . A 37 TYR QD . 18954 1 382 . 1 1 37 37 TYR HE1 H 1 6.862 0.000 . 1 . . . A 37 TYR QE . 18954 1 383 . 1 1 37 37 TYR HE2 H 1 6.862 0.000 . 1 . . . A 37 TYR QE . 18954 1 384 . 1 1 37 37 TYR CA C 13 59.185 0.000 . 1 . . . A 37 TYR CA . 18954 1 385 . 1 1 37 37 TYR CB C 13 36.393 0.000 . 1 . . . A 37 TYR CB . 18954 1 386 . 1 1 37 37 TYR CD1 C 13 130.487 0.000 . 1 . . . A 37 TYR CD1 . 18954 1 387 . 1 1 37 37 TYR CE1 C 13 116.468 0.000 . 1 . . . A 37 TYR CE1 . 18954 1 388 . 1 1 37 37 TYR N N 15 122.338 0.000 . 1 . . . A 37 TYR N . 18954 1 389 . 1 1 38 38 ALA H H 1 7.364 0.000 . 1 . . . A 38 ALA H . 18954 1 390 . 1 1 38 38 ALA HA H 1 3.871 0.000 . 1 . . . A 38 ALA HA . 18954 1 391 . 1 1 38 38 ALA HB1 H 1 1.233 0.000 . 1 . . . A 38 ALA QB . 18954 1 392 . 1 1 38 38 ALA HB2 H 1 1.233 0.000 . 1 . . . A 38 ALA QB . 18954 1 393 . 1 1 38 38 ALA HB3 H 1 1.233 0.000 . 1 . . . A 38 ALA QB . 18954 1 394 . 1 1 38 38 ALA CA C 13 51.797 0.000 . 1 . . . A 38 ALA CA . 18954 1 395 . 1 1 38 38 ALA CB C 13 16.656 0.000 . 1 . . . A 38 ALA CB . 18954 1 396 . 1 1 38 38 ALA N N 15 120.761 0.000 . 1 . . . A 38 ALA N . 18954 1 397 . 1 1 39 39 TRP H H 1 7.134 0.000 . 1 . . . A 39 TRP H . 18954 1 398 . 1 1 39 39 TRP HA H 1 4.076 0.000 . 1 . . . A 39 TRP HA . 18954 1 399 . 1 1 39 39 TRP HB2 H 1 3.046 0.000 . 1 . . . A 39 TRP HB2 . 18954 1 400 . 1 1 39 39 TRP HB3 H 1 3.080 0.000 . 1 . . . A 39 TRP HB3 . 18954 1 401 . 1 1 39 39 TRP HD1 H 1 6.920 0.000 . 1 . . . A 39 TRP HD1 . 18954 1 402 . 1 1 39 39 TRP HE1 H 1 10.081 0.000 . 1 . . . A 39 TRP HE1 . 18954 1 403 . 1 1 39 39 TRP HE3 H 1 7.179 0.000 . 1 . . . A 39 TRP HE3 . 18954 1 404 . 1 1 39 39 TRP HZ2 H 1 7.362 0.000 . 1 . . . A 39 TRP HZ2 . 18954 1 405 . 1 1 39 39 TRP HZ3 H 1 6.477 0.000 . 1 . . . A 39 TRP HZ3 . 18954 1 406 . 1 1 39 39 TRP HH2 H 1 6.982 0.000 . 1 . . . A 39 TRP HH2 . 18954 1 407 . 1 1 39 39 TRP CA C 13 57.730 0.000 . 1 . . . A 39 TRP CA . 18954 1 408 . 1 1 39 39 TRP CB C 13 27.712 0.000 . 1 . . . A 39 TRP CB . 18954 1 409 . 1 1 39 39 TRP CD1 C 13 124.676 0.000 . 1 . . . A 39 TRP CD1 . 18954 1 410 . 1 1 39 39 TRP CE3 C 13 116.864 0.000 . 1 . . . A 39 TRP CE3 . 18954 1 411 . 1 1 39 39 TRP CZ2 C 13 113.083 0.000 . 1 . . . A 39 TRP CZ2 . 18954 1 412 . 1 1 39 39 TRP CZ3 C 13 118.199 0.000 . 1 . . . A 39 TRP CZ3 . 18954 1 413 . 1 1 39 39 TRP CH2 C 13 122.146 0.000 . 1 . . . A 39 TRP CH2 . 18954 1 414 . 1 1 39 39 TRP N N 15 115.813 0.000 . 1 . . . A 39 TRP N . 18954 1 415 . 1 1 39 39 TRP NE1 N 15 129.943 0.000 . 1 . . . A 39 TRP NE1 . 18954 1 416 . 1 1 40 40 LYS H H 1 8.091 0.000 . 1 . . . A 40 LYS H . 18954 1 417 . 1 1 40 40 LYS HA H 1 3.849 0.000 . 1 . . . A 40 LYS HA . 18954 1 418 . 1 1 40 40 LYS HB2 H 1 1.829 0.000 . 1 . . . A 40 LYS QB . 18954 1 419 . 1 1 40 40 LYS HB3 H 1 1.829 0.000 . 1 . . . A 40 LYS QB . 18954 1 420 . 1 1 40 40 LYS HG2 H 1 1.359 0.000 . 1 . . . A 40 LYS HG2 . 18954 1 421 . 1 1 40 40 LYS HG3 H 1 1.421 0.000 . 1 . . . A 40 LYS HG3 . 18954 1 422 . 1 1 40 40 LYS HD2 H 1 1.577 0.000 . 1 . . . A 40 LYS QD . 18954 1 423 . 1 1 40 40 LYS HD3 H 1 1.577 0.000 . 1 . . . A 40 LYS QD . 18954 1 424 . 1 1 40 40 LYS HE2 H 1 2.890 0.000 . 1 . . . A 40 LYS QE . 18954 1 425 . 1 1 40 40 LYS HE3 H 1 2.890 0.000 . 1 . . . A 40 LYS QE . 18954 1 426 . 1 1 40 40 LYS CA C 13 56.984 0.000 . 1 . . . A 40 LYS CA . 18954 1 427 . 1 1 40 40 LYS CB C 13 29.989 0.000 . 1 . . . A 40 LYS CB . 18954 1 428 . 1 1 40 40 LYS CG C 13 22.360 0.000 . 1 . . . A 40 LYS CG . 18954 1 429 . 1 1 40 40 LYS CD C 13 26.878 0.000 . 1 . . . A 40 LYS CD . 18954 1 430 . 1 1 40 40 LYS CE C 13 39.743 0.000 . 1 . . . A 40 LYS CE . 18954 1 431 . 1 1 40 40 LYS N N 15 117.209 0.000 . 1 . . . A 40 LYS N . 18954 1 432 . 1 1 41 41 GLU H H 1 6.674 0.000 . 1 . . . A 41 GLU H . 18954 1 433 . 1 1 41 41 GLU HA H 1 3.954 0.000 . 1 . . . A 41 GLU HA . 18954 1 434 . 1 1 41 41 GLU HB2 H 1 1.339 0.000 . 1 . . . A 41 GLU HB2 . 18954 1 435 . 1 1 41 41 GLU HB3 H 1 0.799 0.000 . 1 . . . A 41 GLU HB3 . 18954 1 436 . 1 1 41 41 GLU HG2 H 1 1.640 0.000 . 1 . . . A 41 GLU HG2 . 18954 1 437 . 1 1 41 41 GLU HG3 H 1 0.707 0.000 . 1 . . . A 41 GLU HG3 . 18954 1 438 . 1 1 41 41 GLU CA C 13 55.902 0.000 . 1 . . . A 41 GLU CA . 18954 1 439 . 1 1 41 41 GLU CB C 13 25.922 0.000 . 1 . . . A 41 GLU CB . 18954 1 440 . 1 1 41 41 GLU CG C 13 31.141 0.000 . 1 . . . A 41 GLU CG . 18954 1 441 . 1 1 41 41 GLU N N 15 119.521 0.000 . 1 . . . A 41 GLU N . 18954 1 442 . 1 1 42 42 LEU H H 1 7.866 0.000 . 1 . . . A 42 LEU H . 18954 1 443 . 1 1 42 42 LEU HA H 1 3.887 0.000 . 1 . . . A 42 LEU HA . 18954 1 444 . 1 1 42 42 LEU HB2 H 1 1.033 0.000 . 1 . . . A 42 LEU HB2 . 18954 1 445 . 1 1 42 42 LEU HB3 H 1 1.673 0.000 . 1 . . . A 42 LEU HB3 . 18954 1 446 . 1 1 42 42 LEU HG H 1 1.278 0.000 . 1 . . . A 42 LEU HG . 18954 1 447 . 1 1 42 42 LEU HD11 H 1 -0.309 0.000 . 1 . . . A 42 LEU QD1 . 18954 1 448 . 1 1 42 42 LEU HD12 H 1 -0.309 0.000 . 1 . . . A 42 LEU QD1 . 18954 1 449 . 1 1 42 42 LEU HD13 H 1 -0.309 0.000 . 1 . . . A 42 LEU QD1 . 18954 1 450 . 1 1 42 42 LEU HD21 H 1 0.386 0.000 . 1 . . . A 42 LEU QD2 . 18954 1 451 . 1 1 42 42 LEU HD22 H 1 0.386 0.000 . 1 . . . A 42 LEU QD2 . 18954 1 452 . 1 1 42 42 LEU HD23 H 1 0.386 0.000 . 1 . . . A 42 LEU QD2 . 18954 1 453 . 1 1 42 42 LEU CA C 13 55.840 0.000 . 1 . . . A 42 LEU CA . 18954 1 454 . 1 1 42 42 LEU CB C 13 39.838 0.000 . 1 . . . A 42 LEU CB . 18954 1 455 . 1 1 42 42 LEU CG C 13 23.804 0.000 . 1 . . . A 42 LEU CG . 18954 1 456 . 1 1 42 42 LEU CD1 C 13 23.241 0.000 . 1 . . . A 42 LEU CD1 . 18954 1 457 . 1 1 42 42 LEU CD2 C 13 20.674 0.000 . 1 . . . A 42 LEU CD2 . 18954 1 458 . 1 1 42 42 LEU N N 15 117.269 0.000 . 1 . . . A 42 LEU N . 18954 1 459 . 1 1 43 43 LYS H H 1 8.458 0.000 . 1 . . . A 43 LYS H . 18954 1 460 . 1 1 43 43 LYS HA H 1 3.969 0.000 . 1 . . . A 43 LYS HA . 18954 1 461 . 1 1 43 43 LYS HB2 H 1 1.565 0.000 . 1 . . . A 43 LYS HB2 . 18954 1 462 . 1 1 43 43 LYS HB3 H 1 1.756 0.000 . 1 . . . A 43 LYS HB3 . 18954 1 463 . 1 1 43 43 LYS HG2 H 1 1.561 0.000 . 1 . . . A 43 LYS HG2 . 18954 1 464 . 1 1 43 43 LYS HG3 H 1 1.370 0.000 . 1 . . . A 43 LYS HG3 . 18954 1 465 . 1 1 43 43 LYS HD2 H 1 1.560 0.000 . 1 . . . A 43 LYS QD . 18954 1 466 . 1 1 43 43 LYS HD3 H 1 1.560 0.000 . 1 . . . A 43 LYS QD . 18954 1 467 . 1 1 43 43 LYS HE2 H 1 2.685 0.000 . 1 . . . A 43 LYS HE2 . 18954 1 468 . 1 1 43 43 LYS HE3 H 1 2.714 0.000 . 1 . . . A 43 LYS HE3 . 18954 1 469 . 1 1 43 43 LYS CA C 13 56.007 0.000 . 1 . . . A 43 LYS CA . 18954 1 470 . 1 1 43 43 LYS CB C 13 30.092 0.000 . 1 . . . A 43 LYS CB . 18954 1 471 . 1 1 43 43 LYS CG C 13 24.667 0.000 . 1 . . . A 43 LYS CG . 18954 1 472 . 1 1 43 43 LYS CD C 13 27.166 0.000 . 1 . . . A 43 LYS CD . 18954 1 473 . 1 1 43 43 LYS CE C 13 39.786 0.000 . 1 . . . A 43 LYS CE . 18954 1 474 . 1 1 43 43 LYS N N 15 117.633 0.000 . 1 . . . A 43 LYS N . 18954 1 475 . 1 1 44 44 GLU H H 1 8.013 0.000 . 1 . . . A 44 GLU H . 18954 1 476 . 1 1 44 44 GLU HA H 1 3.843 0.000 . 1 . . . A 44 GLU HA . 18954 1 477 . 1 1 44 44 GLU HB2 H 1 2.073 0.000 . 1 . . . A 44 GLU HB2 . 18954 1 478 . 1 1 44 44 GLU HB3 H 1 1.916 0.000 . 1 . . . A 44 GLU HB3 . 18954 1 479 . 1 1 44 44 GLU HG2 H 1 2.152 0.000 . 1 . . . A 44 GLU HG2 . 18954 1 480 . 1 1 44 44 GLU HG3 H 1 2.286 0.000 . 1 . . . A 44 GLU HG3 . 18954 1 481 . 1 1 44 44 GLU CA C 13 56.955 0.000 . 1 . . . A 44 GLU CA . 18954 1 482 . 1 1 44 44 GLU CB C 13 26.855 0.000 . 1 . . . A 44 GLU CB . 18954 1 483 . 1 1 44 44 GLU CG C 13 34.067 0.000 . 1 . . . A 44 GLU CG . 18954 1 484 . 1 1 44 44 GLU N N 15 120.906 0.000 . 1 . . . A 44 GLU N . 18954 1 485 . 1 1 45 45 GLN H H 1 7.665 0.000 . 1 . . . A 45 GLN H . 18954 1 486 . 1 1 45 45 GLN HA H 1 4.138 0.000 . 1 . . . A 45 GLN HA . 18954 1 487 . 1 1 45 45 GLN HB2 H 1 2.239 0.000 . 1 . . . A 45 GLN HB2 . 18954 1 488 . 1 1 45 45 GLN HB3 H 1 1.868 0.000 . 1 . . . A 45 GLN HB3 . 18954 1 489 . 1 1 45 45 GLN HG2 H 1 2.258 0.000 . 1 . . . A 45 GLN HG2 . 18954 1 490 . 1 1 45 45 GLN HG3 H 1 1.710 0.000 . 1 . . . A 45 GLN HG3 . 18954 1 491 . 1 1 45 45 GLN HE21 H 1 7.082 0.000 . 1 . . . A 45 GLN HE21 . 18954 1 492 . 1 1 45 45 GLN HE22 H 1 5.503 0.000 . 1 . . . A 45 GLN HE22 . 18954 1 493 . 1 1 45 45 GLN CA C 13 58.177 0.000 . 1 . . . A 45 GLN CA . 18954 1 494 . 1 1 45 45 GLN CB C 13 27.536 0.000 . 1 . . . A 45 GLN CB . 18954 1 495 . 1 1 45 45 GLN CG C 13 31.815 0.000 . 1 . . . A 45 GLN CG . 18954 1 496 . 1 1 45 45 GLN N N 15 113.584 0.000 . 1 . . . A 45 GLN N . 18954 1 497 . 1 1 45 45 GLN NE2 N 15 112.369 0.000 . 1 . . . A 45 GLN NE2 . 18954 1 498 . 1 1 46 46 LEU H H 1 8.652 0.000 . 1 . . . A 46 LEU H . 18954 1 499 . 1 1 46 46 LEU HA H 1 4.470 0.000 . 1 . . . A 46 LEU HA . 18954 1 500 . 1 1 46 46 LEU HB2 H 1 1.551 0.000 . 1 . . . A 46 LEU HB2 . 18954 1 501 . 1 1 46 46 LEU HB3 H 1 1.971 0.000 . 1 . . . A 46 LEU HB3 . 18954 1 502 . 1 1 46 46 LEU HG H 1 0.934 0.000 . 1 . . . A 46 LEU HG . 18954 1 503 . 1 1 46 46 LEU HD11 H 1 1.050 0.000 . 1 . . . A 46 LEU QQD . 18954 1 504 . 1 1 46 46 LEU HD12 H 1 1.050 0.000 . 1 . . . A 46 LEU QQD . 18954 1 505 . 1 1 46 46 LEU HD13 H 1 1.050 0.000 . 1 . . . A 46 LEU QQD . 18954 1 506 . 1 1 46 46 LEU HD21 H 1 1.050 0.000 . 1 . . . A 46 LEU QQD . 18954 1 507 . 1 1 46 46 LEU HD22 H 1 1.050 0.000 . 1 . . . A 46 LEU QQD . 18954 1 508 . 1 1 46 46 LEU HD23 H 1 1.050 0.000 . 1 . . . A 46 LEU QQD . 18954 1 509 . 1 1 46 46 LEU CA C 13 51.929 0.000 . 1 . . . A 46 LEU CA . 18954 1 510 . 1 1 46 46 LEU CB C 13 39.636 0.000 . 1 . . . A 46 LEU CB . 18954 1 511 . 1 1 46 46 LEU CG C 13 24.132 0.000 . 1 . . . A 46 LEU CG . 18954 1 512 . 1 1 46 46 LEU CD2 C 13 21.441 0.000 . 1 . . . A 46 LEU CD2 . 18954 1 513 . 1 1 46 46 LEU N N 15 114.594 0.000 . 1 . . . A 46 LEU N . 18954 1 514 . 1 1 47 47 GLY H H 1 7.642 0.000 . 1 . . . A 47 GLY H . 18954 1 515 . 1 1 47 47 GLY HA2 H 1 3.758 0.000 . 1 . . . A 47 GLY HA2 . 18954 1 516 . 1 1 47 47 GLY HA3 H 1 4.453 0.000 . 1 . . . A 47 GLY HA3 . 18954 1 517 . 1 1 47 47 GLY CA C 13 41.839 0.000 . 1 . . . A 47 GLY CA . 18954 1 518 . 1 1 47 47 GLY N N 15 110.084 0.000 . 1 . . . A 47 GLY N . 18954 1 519 . 1 1 48 48 GLU H H 1 8.348 0.000 . 1 . . . A 48 GLU H . 18954 1 520 . 1 1 48 48 GLU HA H 1 3.712 0.000 . 1 . . . A 48 GLU HA . 18954 1 521 . 1 1 48 48 GLU HB2 H 1 1.941 0.000 . 1 . . . A 48 GLU HB2 . 18954 1 522 . 1 1 48 48 GLU HB3 H 1 1.981 0.000 . 1 . . . A 48 GLU HB3 . 18954 1 523 . 1 1 48 48 GLU HG2 H 1 2.247 0.000 . 1 . . . A 48 GLU QG . 18954 1 524 . 1 1 48 48 GLU HG3 H 1 2.247 0.000 . 1 . . . A 48 GLU QG . 18954 1 525 . 1 1 48 48 GLU CA C 13 56.422 0.000 . 1 . . . A 48 GLU CA . 18954 1 526 . 1 1 48 48 GLU CB C 13 27.465 0.000 . 1 . . . A 48 GLU CB . 18954 1 527 . 1 1 48 48 GLU CG C 13 33.550 0.000 . 1 . . . A 48 GLU CG . 18954 1 528 . 1 1 48 48 GLU N N 15 118.535 0.000 . 1 . . . A 48 GLU N . 18954 1 529 . 1 1 49 49 GLU H H 1 8.498 0.000 . 1 . . . A 49 GLU H . 18954 1 530 . 1 1 49 49 GLU HA H 1 4.373 0.000 . 1 . . . A 49 GLU HA . 18954 1 531 . 1 1 49 49 GLU HB2 H 1 1.916 0.000 . 1 . . . A 49 GLU HB2 . 18954 1 532 . 1 1 49 49 GLU HB3 H 1 2.115 0.000 . 1 . . . A 49 GLU HB3 . 18954 1 533 . 1 1 49 49 GLU HG2 H 1 2.226 0.000 . 1 . . . A 49 GLU QG . 18954 1 534 . 1 1 49 49 GLU HG3 H 1 2.226 0.000 . 1 . . . A 49 GLU QG . 18954 1 535 . 1 1 49 49 GLU CA C 13 54.413 0.000 . 1 . . . A 49 GLU CA . 18954 1 536 . 1 1 49 49 GLU CB C 13 25.961 0.000 . 1 . . . A 49 GLU CB . 18954 1 537 . 1 1 49 49 GLU CG C 13 33.979 0.000 . 1 . . . A 49 GLU CG . 18954 1 538 . 1 1 49 49 GLU N N 15 114.460 0.000 . 1 . . . A 49 GLU N . 18954 1 539 . 1 1 50 50 ILE H H 1 7.617 0.000 . 1 . . . A 50 ILE H . 18954 1 540 . 1 1 50 50 ILE HA H 1 4.102 0.000 . 1 . . . A 50 ILE HA . 18954 1 541 . 1 1 50 50 ILE HB H 1 1.820 0.000 . 1 . . . A 50 ILE HB . 18954 1 542 . 1 1 50 50 ILE HG12 H 1 1.385 0.000 . 1 . . . A 50 ILE HG12 . 18954 1 543 . 1 1 50 50 ILE HG13 H 1 1.201 0.000 . 1 . . . A 50 ILE HG13 . 18954 1 544 . 1 1 50 50 ILE HG21 H 1 0.843 0.000 . 1 . . . A 50 ILE QG2 . 18954 1 545 . 1 1 50 50 ILE HG22 H 1 0.843 0.000 . 1 . . . A 50 ILE QG2 . 18954 1 546 . 1 1 50 50 ILE HG23 H 1 0.843 0.000 . 1 . . . A 50 ILE QG2 . 18954 1 547 . 1 1 50 50 ILE HD11 H 1 0.819 0.000 . 1 . . . A 50 ILE QD1 . 18954 1 548 . 1 1 50 50 ILE HD12 H 1 0.819 0.000 . 1 . . . A 50 ILE QD1 . 18954 1 549 . 1 1 50 50 ILE HD13 H 1 0.819 0.000 . 1 . . . A 50 ILE QD1 . 18954 1 550 . 1 1 50 50 ILE CA C 13 57.703 0.000 . 1 . . . A 50 ILE CA . 18954 1 551 . 1 1 50 50 ILE CB C 13 35.737 0.000 . 1 . . . A 50 ILE CB . 18954 1 552 . 1 1 50 50 ILE CG1 C 13 26.192 0.000 . 1 . . . A 50 ILE CG1 . 18954 1 553 . 1 1 50 50 ILE CG2 C 13 17.376 0.000 . 1 . . . A 50 ILE CG2 . 18954 1 554 . 1 1 50 50 ILE CD1 C 13 11.589 0.000 . 1 . . . A 50 ILE CD1 . 18954 1 555 . 1 1 50 50 ILE N N 15 121.524 0.000 . 1 . . . A 50 ILE N . 18954 1 556 . 1 1 51 51 ASP H H 1 7.926 0.000 . 1 . . . A 51 ASP H . 18954 1 557 . 1 1 51 51 ASP HA H 1 4.300 0.000 . 1 . . . A 51 ASP HA . 18954 1 558 . 1 1 51 51 ASP HB2 H 1 2.405 0.000 . 1 . . . A 51 ASP HB2 . 18954 1 559 . 1 1 51 51 ASP HB3 H 1 2.023 0.000 . 1 . . . A 51 ASP HB3 . 18954 1 560 . 1 1 51 51 ASP CA C 13 53.532 0.000 . 1 . . . A 51 ASP CA . 18954 1 561 . 1 1 51 51 ASP CB C 13 37.198 0.000 . 1 . . . A 51 ASP CB . 18954 1 562 . 1 1 51 51 ASP N N 15 119.881 0.000 . 1 . . . A 51 ASP N . 18954 1 563 . 1 1 52 52 SER H H 1 7.888 0.000 . 1 . . . A 52 SER H . 18954 1 564 . 1 1 52 52 SER HA H 1 4.403 0.000 . 1 . . . A 52 SER HA . 18954 1 565 . 1 1 52 52 SER HB2 H 1 3.921 0.000 . 1 . . . A 52 SER HB2 . 18954 1 566 . 1 1 52 52 SER HB3 H 1 3.992 0.000 . 1 . . . A 52 SER HB3 . 18954 1 567 . 1 1 52 52 SER CA C 13 56.968 0.000 . 1 . . . A 52 SER CA . 18954 1 568 . 1 1 52 52 SER CB C 13 61.183 0.000 . 1 . . . A 52 SER CB . 18954 1 569 . 1 1 52 52 SER N N 15 113.164 0.000 . 1 . . . A 52 SER N . 18954 1 570 . 1 1 53 53 LYS H H 1 7.714 0.000 . 1 . . . A 53 LYS H . 18954 1 571 . 1 1 53 53 LYS HA H 1 4.454 0.000 . 1 . . . A 53 LYS HA . 18954 1 572 . 1 1 53 53 LYS HB2 H 1 1.855 0.000 . 1 . . . A 53 LYS QB . 18954 1 573 . 1 1 53 53 LYS HB3 H 1 1.855 0.000 . 1 . . . A 53 LYS QB . 18954 1 574 . 1 1 53 53 LYS HG2 H 1 1.393 0.000 . 1 . . . A 53 LYS HG2 . 18954 1 575 . 1 1 53 53 LYS HG3 H 1 1.479 0.000 . 1 . . . A 53 LYS HG3 . 18954 1 576 . 1 1 53 53 LYS HD2 H 1 1.491 0.000 . 1 . . . A 53 LYS HD2 . 18954 1 577 . 1 1 53 53 LYS HD3 H 1 1.585 0.000 . 1 . . . A 53 LYS HD3 . 18954 1 578 . 1 1 53 53 LYS HE2 H 1 2.861 0.000 . 1 . . . A 53 LYS QE . 18954 1 579 . 1 1 53 53 LYS HE3 H 1 2.861 0.000 . 1 . . . A 53 LYS QE . 18954 1 580 . 1 1 53 53 LYS CA C 13 53.813 0.000 . 1 . . . A 53 LYS CA . 18954 1 581 . 1 1 53 53 LYS CB C 13 32.359 0.000 . 1 . . . A 53 LYS CB . 18954 1 582 . 1 1 53 53 LYS CG C 13 22.621 0.000 . 1 . . . A 53 LYS CG . 18954 1 583 . 1 1 53 53 LYS CD C 13 26.692 0.000 . 1 . . . A 53 LYS CD . 18954 1 584 . 1 1 53 53 LYS CE C 13 39.741 0.000 . 1 . . . A 53 LYS CE . 18954 1 585 . 1 1 53 53 LYS N N 15 120.411 0.000 . 1 . . . A 53 LYS N . 18954 1 586 . 1 1 54 54 VAL H H 1 7.041 0.000 . 1 . . . A 54 VAL H . 18954 1 587 . 1 1 54 54 VAL HA H 1 4.467 0.000 . 1 . . . A 54 VAL HA . 18954 1 588 . 1 1 54 54 VAL HB H 1 1.988 0.000 . 1 . . . A 54 VAL HB . 18954 1 589 . 1 1 54 54 VAL HG11 H 1 0.401 0.000 . 1 . . . A 54 VAL QG1 . 18954 1 590 . 1 1 54 54 VAL HG12 H 1 0.401 0.000 . 1 . . . A 54 VAL QG1 . 18954 1 591 . 1 1 54 54 VAL HG13 H 1 0.401 0.000 . 1 . . . A 54 VAL QG1 . 18954 1 592 . 1 1 54 54 VAL HG21 H 1 0.613 0.000 . 1 . . . A 54 VAL QG2 . 18954 1 593 . 1 1 54 54 VAL HG22 H 1 0.613 0.000 . 1 . . . A 54 VAL QG2 . 18954 1 594 . 1 1 54 54 VAL HG23 H 1 0.613 0.000 . 1 . . . A 54 VAL QG2 . 18954 1 595 . 1 1 54 54 VAL CA C 13 59.565 0.000 . 1 . . . A 54 VAL CA . 18954 1 596 . 1 1 54 54 VAL CB C 13 30.833 0.000 . 1 . . . A 54 VAL CB . 18954 1 597 . 1 1 54 54 VAL CG1 C 13 19.562 0.000 . 1 . . . A 54 VAL CG1 . 18954 1 598 . 1 1 54 54 VAL CG2 C 13 18.771 0.000 . 1 . . . A 54 VAL CG2 . 18954 1 599 . 1 1 54 54 VAL N N 15 116.701 0.000 . 1 . . . A 54 VAL N . 18954 1 600 . 1 1 55 55 LYS H H 1 9.138 0.000 . 1 . . . A 55 LYS H . 18954 1 601 . 1 1 55 55 LYS HA H 1 4.748 0.000 . 1 . . . A 55 LYS HA . 18954 1 602 . 1 1 55 55 LYS HB2 H 1 1.544 0.000 . 1 . . . A 55 LYS HB2 . 18954 1 603 . 1 1 55 55 LYS HB3 H 1 1.632 0.000 . 1 . . . A 55 LYS HB3 . 18954 1 604 . 1 1 55 55 LYS HG2 H 1 1.170 0.000 . 1 . . . A 55 LYS QG . 18954 1 605 . 1 1 55 55 LYS HG3 H 1 1.170 0.000 . 1 . . . A 55 LYS QG . 18954 1 606 . 1 1 55 55 LYS HD2 H 1 1.169 0.000 . 1 . . . A 55 LYS HD2 . 18954 1 607 . 1 1 55 55 LYS HD3 H 1 1.278 0.000 . 1 . . . A 55 LYS HD3 . 18954 1 608 . 1 1 55 55 LYS HE2 H 1 2.445 0.000 . 1 . . . A 55 LYS HE2 . 18954 1 609 . 1 1 55 55 LYS HE3 H 1 2.509 0.000 . 1 . . . A 55 LYS HE3 . 18954 1 610 . 1 1 55 55 LYS CA C 13 51.602 0.000 . 1 . . . A 55 LYS CA . 18954 1 611 . 1 1 55 55 LYS CB C 13 33.288 0.000 . 1 . . . A 55 LYS CB . 18954 1 612 . 1 1 55 55 LYS CG C 13 21.639 0.000 . 1 . . . A 55 LYS CG . 18954 1 613 . 1 1 55 55 LYS CD C 13 26.430 0.000 . 1 . . . A 55 LYS CD . 18954 1 614 . 1 1 55 55 LYS CE C 13 39.422 0.000 . 1 . . . A 55 LYS CE . 18954 1 615 . 1 1 55 55 LYS N N 15 125.891 0.000 . 1 . . . A 55 LYS N . 18954 1 616 . 1 1 56 56 GLY H H 1 8.489 0.000 . 1 . . . A 56 GLY H . 18954 1 617 . 1 1 56 56 GLY HA2 H 1 3.688 0.000 . 1 . . . A 56 GLY QA . 18954 1 618 . 1 1 56 56 GLY HA3 H 1 3.688 0.000 . 1 . . . A 56 GLY QA . 18954 1 619 . 1 1 56 56 GLY CA C 13 44.716 0.000 . 1 . . . A 56 GLY CA . 18954 1 620 . 1 1 56 56 GLY N N 15 109.312 0.000 . 1 . . . A 56 GLY N . 18954 1 621 . 1 1 57 57 MET H H 1 8.039 0.000 . 1 . . . A 57 MET H . 18954 1 622 . 1 1 57 57 MET HA H 1 4.930 0.000 . 1 . . . A 57 MET HA . 18954 1 623 . 1 1 57 57 MET HB2 H 1 1.499 0.000 . 1 . . . A 57 MET HB2 . 18954 1 624 . 1 1 57 57 MET HB3 H 1 1.773 0.000 . 1 . . . A 57 MET HB3 . 18954 1 625 . 1 1 57 57 MET HG2 H 1 1.823 0.000 . 1 . . . A 57 MET HG2 . 18954 1 626 . 1 1 57 57 MET HG3 H 1 1.870 0.000 . 1 . . . A 57 MET HG3 . 18954 1 627 . 1 1 57 57 MET HE1 H 1 0.063 0.000 . 1 . . . A 57 MET QE . 18954 1 628 . 1 1 57 57 MET HE2 H 1 0.063 0.000 . 1 . . . A 57 MET QE . 18954 1 629 . 1 1 57 57 MET HE3 H 1 0.063 0.000 . 1 . . . A 57 MET QE . 18954 1 630 . 1 1 57 57 MET CA C 13 53.906 0.000 . 1 . . . A 57 MET CA . 18954 1 631 . 1 1 57 57 MET CB C 13 30.841 0.000 . 1 . . . A 57 MET CB . 18954 1 632 . 1 1 57 57 MET CG C 13 29.193 0.000 . 1 . . . A 57 MET CG . 18954 1 633 . 1 1 57 57 MET CE C 13 12.773 0.000 . 1 . . . A 57 MET CE . 18954 1 634 . 1 1 57 57 MET N N 15 118.391 0.000 . 1 . . . A 57 MET N . 18954 1 635 . 1 1 58 58 VAL H H 1 8.780 0.000 . 1 . . . A 58 VAL H . 18954 1 636 . 1 1 58 58 VAL HA H 1 4.449 0.000 . 1 . . . A 58 VAL HA . 18954 1 637 . 1 1 58 58 VAL HB H 1 2.101 0.000 . 1 . . . A 58 VAL HB . 18954 1 638 . 1 1 58 58 VAL HG11 H 1 0.856 0.000 . 1 . . . A 58 VAL QG1 . 18954 1 639 . 1 1 58 58 VAL HG12 H 1 0.856 0.000 . 1 . . . A 58 VAL QG1 . 18954 1 640 . 1 1 58 58 VAL HG13 H 1 0.856 0.000 . 1 . . . A 58 VAL QG1 . 18954 1 641 . 1 1 58 58 VAL HG21 H 1 0.843 0.000 . 1 . . . A 58 VAL QG2 . 18954 1 642 . 1 1 58 58 VAL HG22 H 1 0.843 0.000 . 1 . . . A 58 VAL QG2 . 18954 1 643 . 1 1 58 58 VAL HG23 H 1 0.843 0.000 . 1 . . . A 58 VAL QG2 . 18954 1 644 . 1 1 58 58 VAL CA C 13 57.050 0.000 . 1 . . . A 58 VAL CA . 18954 1 645 . 1 1 58 58 VAL CB C 13 33.856 0.000 . 1 . . . A 58 VAL CB . 18954 1 646 . 1 1 58 58 VAL CG1 C 13 18.876 0.000 . 1 . . . A 58 VAL CG1 . 18954 1 647 . 1 1 58 58 VAL CG2 C 13 17.188 0.000 . 1 . . . A 58 VAL CG2 . 18954 1 648 . 1 1 58 58 VAL N N 15 124.257 0.000 . 1 . . . A 58 VAL N . 18954 1 649 . 1 1 59 59 PHE H H 1 8.432 0.000 . 1 . . . A 59 PHE H . 18954 1 650 . 1 1 59 59 PHE HA H 1 4.975 0.000 . 1 . . . A 59 PHE HA . 18954 1 651 . 1 1 59 59 PHE HB2 H 1 2.829 0.000 . 1 . . . A 59 PHE HB2 . 18954 1 652 . 1 1 59 59 PHE HB3 H 1 3.438 0.000 . 1 . . . A 59 PHE HB3 . 18954 1 653 . 1 1 59 59 PHE HD1 H 1 7.476 0.000 . 1 . . . A 59 PHE QD . 18954 1 654 . 1 1 59 59 PHE HD2 H 1 7.476 0.000 . 1 . . . A 59 PHE QD . 18954 1 655 . 1 1 59 59 PHE HE1 H 1 7.332 0.000 . 1 . . . A 59 PHE QE . 18954 1 656 . 1 1 59 59 PHE HE2 H 1 7.332 0.000 . 1 . . . A 59 PHE QE . 18954 1 657 . 1 1 59 59 PHE HZ H 1 6.847 0.000 . 1 . . . A 59 PHE HZ . 18954 1 658 . 1 1 59 59 PHE CA C 13 56.564 0.000 . 1 . . . A 59 PHE CA . 18954 1 659 . 1 1 59 59 PHE CB C 13 37.690 0.000 . 1 . . . A 59 PHE CB . 18954 1 660 . 1 1 59 59 PHE CD1 C 13 129.072 0.000 . 1 . . . A 59 PHE CD1 . 18954 1 661 . 1 1 59 59 PHE CE1 C 13 129.041 0.000 . 1 . . . A 59 PHE CE1 . 18954 1 662 . 1 1 59 59 PHE CZ C 13 126.454 0.000 . 1 . . . A 59 PHE CZ . 18954 1 663 . 1 1 59 59 PHE N N 15 120.512 0.000 . 1 . . . A 59 PHE N . 18954 1 664 . 1 1 60 60 LEU H H 1 8.291 0.000 . 1 . . . A 60 LEU H . 18954 1 665 . 1 1 60 60 LEU HA H 1 4.376 0.000 . 1 . . . A 60 LEU HA . 18954 1 666 . 1 1 60 60 LEU HB2 H 1 1.498 0.000 . 1 . . . A 60 LEU HB2 . 18954 1 667 . 1 1 60 60 LEU HB3 H 1 1.322 0.000 . 1 . . . A 60 LEU HB3 . 18954 1 668 . 1 1 60 60 LEU HG H 1 1.269 0.000 . 1 . . . A 60 LEU HG . 18954 1 669 . 1 1 60 60 LEU HD11 H 1 0.751 0.000 . 1 . . . A 60 LEU QD1 . 18954 1 670 . 1 1 60 60 LEU HD12 H 1 0.751 0.000 . 1 . . . A 60 LEU QD1 . 18954 1 671 . 1 1 60 60 LEU HD13 H 1 0.751 0.000 . 1 . . . A 60 LEU QD1 . 18954 1 672 . 1 1 60 60 LEU HD21 H 1 0.694 0.000 . 1 . . . A 60 LEU QD2 . 18954 1 673 . 1 1 60 60 LEU HD22 H 1 0.694 0.000 . 1 . . . A 60 LEU QD2 . 18954 1 674 . 1 1 60 60 LEU HD23 H 1 0.694 0.000 . 1 . . . A 60 LEU QD2 . 18954 1 675 . 1 1 60 60 LEU CA C 13 51.227 0.000 . 1 . . . A 60 LEU CA . 18954 1 676 . 1 1 60 60 LEU CB C 13 40.525 0.000 . 1 . . . A 60 LEU CB . 18954 1 677 . 1 1 60 60 LEU CG C 13 24.777 0.000 . 1 . . . A 60 LEU CG . 18954 1 678 . 1 1 60 60 LEU CD1 C 13 20.287 0.000 . 1 . . . A 60 LEU CD1 . 18954 1 679 . 1 1 60 60 LEU CD2 C 13 22.959 0.000 . 1 . . . A 60 LEU CD2 . 18954 1 680 . 1 1 60 60 LEU N N 15 120.934 0.000 . 1 . . . A 60 LEU N . 18954 1 681 . 1 1 61 61 LYS H H 1 8.371 0.000 . 1 . . . A 61 LYS H . 18954 1 682 . 1 1 61 61 LYS HA H 1 3.981 0.000 . 1 . . . A 61 LYS HA . 18954 1 683 . 1 1 61 61 LYS HB2 H 1 1.670 0.000 . 1 . . . A 61 LYS HB2 . 18954 1 684 . 1 1 61 61 LYS HB3 H 1 1.642 0.000 . 1 . . . A 61 LYS HB3 . 18954 1 685 . 1 1 61 61 LYS HG2 H 1 1.313 0.000 . 1 . . . A 61 LYS HG2 . 18954 1 686 . 1 1 61 61 LYS HG3 H 1 1.287 0.000 . 1 . . . A 61 LYS HG3 . 18954 1 687 . 1 1 61 61 LYS HD2 H 1 1.614 0.000 . 1 . . . A 61 LYS QD . 18954 1 688 . 1 1 61 61 LYS HD3 H 1 1.614 0.000 . 1 . . . A 61 LYS QD . 18954 1 689 . 1 1 61 61 LYS HE2 H 1 2.908 0.000 . 1 . . . A 61 LYS QE . 18954 1 690 . 1 1 61 61 LYS HE3 H 1 2.908 0.000 . 1 . . . A 61 LYS QE . 18954 1 691 . 1 1 61 61 LYS CA C 13 55.543 0.000 . 1 . . . A 61 LYS CA . 18954 1 692 . 1 1 61 61 LYS CB C 13 29.642 0.000 . 1 . . . A 61 LYS CB . 18954 1 693 . 1 1 61 61 LYS CG C 13 22.239 0.000 . 1 . . . A 61 LYS CG . 18954 1 694 . 1 1 61 61 LYS CD C 13 27.062 0.000 . 1 . . . A 61 LYS CD . 18954 1 695 . 1 1 61 61 LYS CE C 13 39.621 0.000 . 1 . . . A 61 LYS CE . 18954 1 696 . 1 1 61 61 LYS N N 15 122.117 0.000 . 1 . . . A 61 LYS N . 18954 1 697 . 1 1 62 62 GLY H H 1 8.870 0.000 . 1 . . . A 62 GLY H . 18954 1 698 . 1 1 62 62 GLY HA2 H 1 3.565 0.000 . 1 . . . A 62 GLY HA2 . 18954 1 699 . 1 1 62 62 GLY HA3 H 1 3.978 0.000 . 1 . . . A 62 GLY HA3 . 18954 1 700 . 1 1 62 62 GLY CA C 13 42.972 0.000 . 1 . . . A 62 GLY CA . 18954 1 701 . 1 1 62 62 GLY N N 15 114.590 0.000 . 1 . . . A 62 GLY N . 18954 1 702 . 1 1 63 63 LYS H H 1 8.129 0.000 . 1 . . . A 63 LYS H . 18954 1 703 . 1 1 63 63 LYS N N 15 111.406 0.000 . 1 . . . A 63 LYS N . 18954 1 704 . 1 1 64 64 LEU HA H 1 4.466 0.000 . 1 . . . A 64 LEU HA . 18954 1 705 . 1 1 64 64 LEU HB2 H 1 1.448 0.000 . 1 . . . A 64 LEU HB2 . 18954 1 706 . 1 1 64 64 LEU HB3 H 1 1.857 0.000 . 1 . . . A 64 LEU HB3 . 18954 1 707 . 1 1 64 64 LEU HG H 1 1.385 0.000 . 1 . . . A 64 LEU HG . 18954 1 708 . 1 1 64 64 LEU HD11 H 1 0.778 0.000 . 1 . . . A 64 LEU QD1 . 18954 1 709 . 1 1 64 64 LEU HD12 H 1 0.778 0.000 . 1 . . . A 64 LEU QD1 . 18954 1 710 . 1 1 64 64 LEU HD13 H 1 0.778 0.000 . 1 . . . A 64 LEU QD1 . 18954 1 711 . 1 1 64 64 LEU HD21 H 1 0.548 0.000 . 1 . . . A 64 LEU QD2 . 18954 1 712 . 1 1 64 64 LEU HD22 H 1 0.548 0.000 . 1 . . . A 64 LEU QD2 . 18954 1 713 . 1 1 64 64 LEU HD23 H 1 0.548 0.000 . 1 . . . A 64 LEU QD2 . 18954 1 714 . 1 1 64 64 LEU CA C 13 52.271 0.000 . 1 . . . A 64 LEU CA . 18954 1 715 . 1 1 64 64 LEU CB C 13 38.456 0.000 . 1 . . . A 64 LEU CB . 18954 1 716 . 1 1 64 64 LEU CG C 13 24.505 0.000 . 1 . . . A 64 LEU CG . 18954 1 717 . 1 1 64 64 LEU CD1 C 13 22.970 0.000 . 1 . . . A 64 LEU CD1 . 18954 1 718 . 1 1 64 64 LEU CD2 C 13 19.996 0.000 . 1 . . . A 64 LEU CD2 . 18954 1 719 . 1 1 65 65 GLY H H 1 7.375 0.000 . 1 . . . A 65 GLY H . 18954 1 720 . 1 1 65 65 GLY HA2 H 1 4.745 0.000 . 1 . . . A 65 GLY HA2 . 18954 1 721 . 1 1 65 65 GLY HA3 H 1 4.479 0.000 . 1 . . . A 65 GLY HA3 . 18954 1 722 . 1 1 65 65 GLY CA C 13 42.592 0.000 . 1 . . . A 65 GLY CA . 18954 1 723 . 1 1 65 65 GLY N N 15 105.164 0.000 . 1 . . . A 65 GLY N . 18954 1 724 . 1 1 66 66 VAL H H 1 9.127 0.000 . 1 . . . A 66 VAL H . 18954 1 725 . 1 1 66 66 VAL HA H 1 5.391 0.000 . 1 . . . A 66 VAL HA . 18954 1 726 . 1 1 66 66 VAL HB H 1 2.057 0.000 . 1 . . . A 66 VAL HB . 18954 1 727 . 1 1 66 66 VAL HG11 H 1 0.766 0.000 . 1 . . . A 66 VAL QG1 . 18954 1 728 . 1 1 66 66 VAL HG12 H 1 0.766 0.000 . 1 . . . A 66 VAL QG1 . 18954 1 729 . 1 1 66 66 VAL HG13 H 1 0.766 0.000 . 1 . . . A 66 VAL QG1 . 18954 1 730 . 1 1 66 66 VAL HG21 H 1 0.642 0.000 . 1 . . . A 66 VAL QG2 . 18954 1 731 . 1 1 66 66 VAL HG22 H 1 0.642 0.000 . 1 . . . A 66 VAL QG2 . 18954 1 732 . 1 1 66 66 VAL HG23 H 1 0.642 0.000 . 1 . . . A 66 VAL QG2 . 18954 1 733 . 1 1 66 66 VAL CA C 13 56.267 0.000 . 1 . . . A 66 VAL CA . 18954 1 734 . 1 1 66 66 VAL CB C 13 34.051 0.000 . 1 . . . A 66 VAL CB . 18954 1 735 . 1 1 66 66 VAL CG1 C 13 17.540 0.000 . 1 . . . A 66 VAL CG1 . 18954 1 736 . 1 1 66 66 VAL CG2 C 13 20.142 0.000 . 1 . . . A 66 VAL CG2 . 18954 1 737 . 1 1 66 66 VAL N N 15 111.490 0.000 . 1 . . . A 66 VAL N . 18954 1 738 . 1 1 67 67 CYS H H 1 8.914 0.000 . 1 . . . A 67 CYS H . 18954 1 739 . 1 1 67 67 CYS HA H 1 5.494 0.000 . 1 . . . A 67 CYS HA . 18954 1 740 . 1 1 67 67 CYS HB2 H 1 2.666 0.000 . 1 . . . A 67 CYS HB2 . 18954 1 741 . 1 1 67 67 CYS HB3 H 1 2.515 0.000 . 1 . . . A 67 CYS HB3 . 18954 1 742 . 1 1 67 67 CYS CA C 13 52.870 0.000 . 1 . . . A 67 CYS CA . 18954 1 743 . 1 1 67 67 CYS CB C 13 28.485 0.000 . 1 . . . A 67 CYS CB . 18954 1 744 . 1 1 67 67 CYS N N 15 116.847 0.000 . 1 . . . A 67 CYS N . 18954 1 745 . 1 1 68 68 PHE H H 1 8.118 0.000 . 1 . . . A 68 PHE H . 18954 1 746 . 1 1 68 68 PHE HA H 1 4.640 0.000 . 1 . . . A 68 PHE HA . 18954 1 747 . 1 1 68 68 PHE HB2 H 1 2.841 0.000 . 1 . . . A 68 PHE HB2 . 18954 1 748 . 1 1 68 68 PHE HB3 H 1 2.727 0.000 . 1 . . . A 68 PHE HB3 . 18954 1 749 . 1 1 68 68 PHE HD1 H 1 6.534 0.000 . 1 . . . A 68 PHE QD . 18954 1 750 . 1 1 68 68 PHE HD2 H 1 6.534 0.000 . 1 . . . A 68 PHE QD . 18954 1 751 . 1 1 68 68 PHE CA C 13 53.636 0.000 . 1 . . . A 68 PHE CA . 18954 1 752 . 1 1 68 68 PHE CB C 13 36.964 0.000 . 1 . . . A 68 PHE CB . 18954 1 753 . 1 1 68 68 PHE CD1 C 13 130.322 0.000 . 1 . . . A 68 PHE CD1 . 18954 1 754 . 1 1 68 68 PHE N N 15 116.013 0.000 . 1 . . . A 68 PHE N . 18954 1 755 . 1 1 69 69 ASP H H 1 8.999 0.000 . 1 . . . A 69 ASP H . 18954 1 756 . 1 1 69 69 ASP HA H 1 5.737 0.000 . 1 . . . A 69 ASP HA . 18954 1 757 . 1 1 69 69 ASP HB2 H 1 2.292 0.000 . 1 . . . A 69 ASP QB . 18954 1 758 . 1 1 69 69 ASP HB3 H 1 2.292 0.000 . 1 . . . A 69 ASP QB . 18954 1 759 . 1 1 69 69 ASP CA C 13 50.163 0.000 . 1 . . . A 69 ASP CA . 18954 1 760 . 1 1 69 69 ASP CB C 13 40.589 0.000 . 1 . . . A 69 ASP CB . 18954 1 761 . 1 1 69 69 ASP N N 15 119.562 0.000 . 1 . . . A 69 ASP N . 18954 1 762 . 1 1 70 70 VAL H H 1 8.913 0.000 . 1 . . . A 70 VAL H . 18954 1 763 . 1 1 70 70 VAL HA H 1 5.334 0.000 . 1 . . . A 70 VAL HA . 18954 1 764 . 1 1 70 70 VAL HB H 1 2.062 0.000 . 1 . . . A 70 VAL HB . 18954 1 765 . 1 1 70 70 VAL HG11 H 1 0.793 0.000 . 1 . . . A 70 VAL QG1 . 18954 1 766 . 1 1 70 70 VAL HG12 H 1 0.793 0.000 . 1 . . . A 70 VAL QG1 . 18954 1 767 . 1 1 70 70 VAL HG13 H 1 0.793 0.000 . 1 . . . A 70 VAL QG1 . 18954 1 768 . 1 1 70 70 VAL HG21 H 1 1.009 0.000 . 1 . . . A 70 VAL QG2 . 18954 1 769 . 1 1 70 70 VAL HG22 H 1 1.009 0.000 . 1 . . . A 70 VAL QG2 . 18954 1 770 . 1 1 70 70 VAL HG23 H 1 1.009 0.000 . 1 . . . A 70 VAL QG2 . 18954 1 771 . 1 1 70 70 VAL CA C 13 54.964 0.000 . 1 . . . A 70 VAL CA . 18954 1 772 . 1 1 70 70 VAL CB C 13 31.536 0.000 . 1 . . . A 70 VAL CB . 18954 1 773 . 1 1 70 70 VAL CG1 C 13 17.227 0.000 . 1 . . . A 70 VAL CG1 . 18954 1 774 . 1 1 70 70 VAL CG2 C 13 19.847 0.000 . 1 . . . A 70 VAL CG2 . 18954 1 775 . 1 1 70 70 VAL N N 15 114.283 0.000 . 1 . . . A 70 VAL N . 18954 1 776 . 1 1 71 71 PRO HA H 1 4.227 0.000 . 1 . . . A 71 PRO HA . 18954 1 777 . 1 1 71 71 PRO HB2 H 1 2.169 0.000 . 1 . . . A 71 PRO HB2 . 18954 1 778 . 1 1 71 71 PRO HB3 H 1 1.733 0.000 . 1 . . . A 71 PRO HB3 . 18954 1 779 . 1 1 71 71 PRO HG2 H 1 1.920 0.000 . 1 . . . A 71 PRO HG2 . 18954 1 780 . 1 1 71 71 PRO HG3 H 1 2.069 0.000 . 1 . . . A 71 PRO HG3 . 18954 1 781 . 1 1 71 71 PRO HD2 H 1 3.530 0.000 . 1 . . . A 71 PRO HD2 . 18954 1 782 . 1 1 71 71 PRO HD3 H 1 4.289 0.000 . 1 . . . A 71 PRO HD3 . 18954 1 783 . 1 1 71 71 PRO CA C 13 59.838 0.000 . 1 . . . A 71 PRO CA . 18954 1 784 . 1 1 71 71 PRO CB C 13 29.473 0.000 . 1 . . . A 71 PRO CB . 18954 1 785 . 1 1 71 71 PRO CG C 13 25.884 0.000 . 1 . . . A 71 PRO CG . 18954 1 786 . 1 1 71 71 PRO CD C 13 48.204 0.000 . 1 . . . A 71 PRO CD . 18954 1 787 . 1 1 72 72 THR H H 1 8.235 0.000 . 1 . . . A 72 THR H . 18954 1 788 . 1 1 72 72 THR HA H 1 3.597 0.000 . 1 . . . A 72 THR HA . 18954 1 789 . 1 1 72 72 THR HB H 1 3.785 0.000 . 1 . . . A 72 THR HB . 18954 1 790 . 1 1 72 72 THR HG21 H 1 1.043 0.000 . 1 . . . A 72 THR QG2 . 18954 1 791 . 1 1 72 72 THR HG22 H 1 1.043 0.000 . 1 . . . A 72 THR QG2 . 18954 1 792 . 1 1 72 72 THR HG23 H 1 1.043 0.000 . 1 . . . A 72 THR QG2 . 18954 1 793 . 1 1 72 72 THR CA C 13 63.671 0.000 . 1 . . . A 72 THR CA . 18954 1 794 . 1 1 72 72 THR CB C 13 65.826 0.000 . 1 . . . A 72 THR CB . 18954 1 795 . 1 1 72 72 THR CG2 C 13 19.820 0.000 . 1 . . . A 72 THR CG2 . 18954 1 796 . 1 1 72 72 THR N N 15 121.039 0.000 . 1 . . . A 72 THR N . 18954 1 797 . 1 1 73 73 ALA H H 1 8.466 0.000 . 1 . . . A 73 ALA H . 18954 1 798 . 1 1 73 73 ALA HA H 1 4.143 0.000 . 1 . . . A 73 ALA HA . 18954 1 799 . 1 1 73 73 ALA HB1 H 1 1.344 0.000 . 1 . . . A 73 ALA QB . 18954 1 800 . 1 1 73 73 ALA HB2 H 1 1.344 0.000 . 1 . . . A 73 ALA QB . 18954 1 801 . 1 1 73 73 ALA HB3 H 1 1.344 0.000 . 1 . . . A 73 ALA QB . 18954 1 802 . 1 1 73 73 ALA CA C 13 51.471 0.000 . 1 . . . A 73 ALA CA . 18954 1 803 . 1 1 73 73 ALA CB C 13 16.095 0.000 . 1 . . . A 73 ALA CB . 18954 1 804 . 1 1 73 73 ALA N N 15 120.196 0.000 . 1 . . . A 73 ALA N . 18954 1 805 . 1 1 74 74 SER H H 1 8.019 0.000 . 1 . . . A 74 SER H . 18954 1 806 . 1 1 74 74 SER HA H 1 4.552 0.000 . 1 . . . A 74 SER HA . 18954 1 807 . 1 1 74 74 SER HB2 H 1 3.933 0.000 . 1 . . . A 74 SER HB2 . 18954 1 808 . 1 1 74 74 SER HB3 H 1 3.766 0.000 . 1 . . . A 74 SER HB3 . 18954 1 809 . 1 1 74 74 SER CA C 13 57.492 0.000 . 1 . . . A 74 SER CA . 18954 1 810 . 1 1 74 74 SER CB C 13 62.101 0.000 . 1 . . . A 74 SER CB . 18954 1 811 . 1 1 74 74 SER N N 15 112.214 0.000 . 1 . . . A 74 SER N . 18954 1 812 . 1 1 75 75 VAL H H 1 7.222 0.000 . 1 . . . A 75 VAL H . 18954 1 813 . 1 1 75 75 VAL HA H 1 3.255 0.000 . 1 . . . A 75 VAL HA . 18954 1 814 . 1 1 75 75 VAL HB H 1 1.975 0.000 . 1 . . . A 75 VAL HB . 18954 1 815 . 1 1 75 75 VAL HG11 H 1 0.919 0.000 . 1 . . . A 75 VAL QQG . 18954 1 816 . 1 1 75 75 VAL HG12 H 1 0.919 0.000 . 1 . . . A 75 VAL QQG . 18954 1 817 . 1 1 75 75 VAL HG13 H 1 0.919 0.000 . 1 . . . A 75 VAL QQG . 18954 1 818 . 1 1 75 75 VAL HG21 H 1 0.919 0.000 . 1 . . . A 75 VAL QQG . 18954 1 819 . 1 1 75 75 VAL HG22 H 1 0.919 0.000 . 1 . . . A 75 VAL QQG . 18954 1 820 . 1 1 75 75 VAL HG23 H 1 0.919 0.000 . 1 . . . A 75 VAL QQG . 18954 1 821 . 1 1 75 75 VAL CA C 13 65.007 0.000 . 1 . . . A 75 VAL CA . 18954 1 822 . 1 1 75 75 VAL CB C 13 29.350 0.000 . 1 . . . A 75 VAL CB . 18954 1 823 . 1 1 75 75 VAL CG1 C 13 21.343 0.000 . 1 . . . A 75 VAL CG1 . 18954 1 824 . 1 1 75 75 VAL N N 15 121.652 0.000 . 1 . . . A 75 VAL N . 18954 1 825 . 1 1 76 76 THR H H 1 8.107 0.000 . 1 . . . A 76 THR H . 18954 1 826 . 1 1 76 76 THR HA H 1 3.963 0.000 . 1 . . . A 76 THR HA . 18954 1 827 . 1 1 76 76 THR HB H 1 4.052 0.000 . 1 . . . A 76 THR HB . 18954 1 828 . 1 1 76 76 THR HG21 H 1 1.168 0.000 . 1 . . . A 76 THR QG2 . 18954 1 829 . 1 1 76 76 THR HG22 H 1 1.168 0.000 . 1 . . . A 76 THR QG2 . 18954 1 830 . 1 1 76 76 THR HG23 H 1 1.168 0.000 . 1 . . . A 76 THR QG2 . 18954 1 831 . 1 1 76 76 THR CA C 13 63.804 0.000 . 1 . . . A 76 THR CA . 18954 1 832 . 1 1 76 76 THR CB C 13 65.567 0.000 . 1 . . . A 76 THR CB . 18954 1 833 . 1 1 76 76 THR CG2 C 13 19.576 0.000 . 1 . . . A 76 THR CG2 . 18954 1 834 . 1 1 76 76 THR N N 15 113.812 0.000 . 1 . . . A 76 THR N . 18954 1 835 . 1 1 77 77 GLU H H 1 7.737 0.000 . 1 . . . A 77 GLU H . 18954 1 836 . 1 1 77 77 GLU HA H 1 4.033 0.000 . 1 . . . A 77 GLU HA . 18954 1 837 . 1 1 77 77 GLU HB2 H 1 2.080 0.000 . 1 . . . A 77 GLU HB2 . 18954 1 838 . 1 1 77 77 GLU HB3 H 1 1.804 0.000 . 1 . . . A 77 GLU HB3 . 18954 1 839 . 1 1 77 77 GLU HG2 H 1 2.184 0.000 . 1 . . . A 77 GLU HG2 . 18954 1 840 . 1 1 77 77 GLU HG3 H 1 2.274 0.000 . 1 . . . A 77 GLU HG3 . 18954 1 841 . 1 1 77 77 GLU CA C 13 56.356 0.000 . 1 . . . A 77 GLU CA . 18954 1 842 . 1 1 77 77 GLU CB C 13 27.032 0.000 . 1 . . . A 77 GLU CB . 18954 1 843 . 1 1 77 77 GLU CG C 13 33.807 0.000 . 1 . . . A 77 GLU CG . 18954 1 844 . 1 1 77 77 GLU N N 15 121.634 0.000 . 1 . . . A 77 GLU N . 18954 1 845 . 1 1 78 78 ILE H H 1 7.694 0.000 . 1 . . . A 78 ILE H . 18954 1 846 . 1 1 78 78 ILE HA H 1 3.611 0.000 . 1 . . . A 78 ILE HA . 18954 1 847 . 1 1 78 78 ILE HB H 1 1.853 0.000 . 1 . . . A 78 ILE HB . 18954 1 848 . 1 1 78 78 ILE HG12 H 1 1.851 0.000 . 1 . . . A 78 ILE HG12 . 18954 1 849 . 1 1 78 78 ILE HG13 H 1 0.998 0.000 . 1 . . . A 78 ILE HG13 . 18954 1 850 . 1 1 78 78 ILE HG21 H 1 0.716 0.000 . 1 . . . A 78 ILE QG2 . 18954 1 851 . 1 1 78 78 ILE HG22 H 1 0.716 0.000 . 1 . . . A 78 ILE QG2 . 18954 1 852 . 1 1 78 78 ILE HG23 H 1 0.716 0.000 . 1 . . . A 78 ILE QG2 . 18954 1 853 . 1 1 78 78 ILE HD11 H 1 0.733 0.000 . 1 . . . A 78 ILE QD1 . 18954 1 854 . 1 1 78 78 ILE HD12 H 1 0.733 0.000 . 1 . . . A 78 ILE QD1 . 18954 1 855 . 1 1 78 78 ILE HD13 H 1 0.733 0.000 . 1 . . . A 78 ILE QD1 . 18954 1 856 . 1 1 78 78 ILE CA C 13 63.089 0.000 . 1 . . . A 78 ILE CA . 18954 1 857 . 1 1 78 78 ILE CB C 13 35.616 0.000 . 1 . . . A 78 ILE CB . 18954 1 858 . 1 1 78 78 ILE CG1 C 13 27.086 0.000 . 1 . . . A 78 ILE CG1 . 18954 1 859 . 1 1 78 78 ILE CG2 C 13 14.178 0.000 . 1 . . . A 78 ILE CG2 . 18954 1 860 . 1 1 78 78 ILE CD1 C 13 11.584 0.000 . 1 . . . A 78 ILE CD1 . 18954 1 861 . 1 1 78 78 ILE N N 15 119.383 0.000 . 1 . . . A 78 ILE N . 18954 1 862 . 1 1 79 79 GLN H H 1 8.319 0.000 . 1 . . . A 79 GLN H . 18954 1 863 . 1 1 79 79 GLN HA H 1 3.928 0.000 . 1 . . . A 79 GLN HA . 18954 1 864 . 1 1 79 79 GLN HB2 H 1 1.960 0.000 . 1 . . . A 79 GLN HB2 . 18954 1 865 . 1 1 79 79 GLN HB3 H 1 2.174 0.000 . 1 . . . A 79 GLN HB3 . 18954 1 866 . 1 1 79 79 GLN HG2 H 1 2.458 0.000 . 1 . . . A 79 GLN HG2 . 18954 1 867 . 1 1 79 79 GLN HG3 H 1 2.101 0.000 . 1 . . . A 79 GLN HG3 . 18954 1 868 . 1 1 79 79 GLN HE21 H 1 7.349 0.000 . 1 . . . A 79 GLN HE21 . 18954 1 869 . 1 1 79 79 GLN HE22 H 1 6.584 0.000 . 1 . . . A 79 GLN HE22 . 18954 1 870 . 1 1 79 79 GLN CA C 13 56.668 0.000 . 1 . . . A 79 GLN CA . 18954 1 871 . 1 1 79 79 GLN CB C 13 26.407 0.000 . 1 . . . A 79 GLN CB . 18954 1 872 . 1 1 79 79 GLN CG C 13 32.747 0.000 . 1 . . . A 79 GLN CG . 18954 1 873 . 1 1 79 79 GLN N N 15 116.015 0.000 . 1 . . . A 79 GLN N . 18954 1 874 . 1 1 79 79 GLN NE2 N 15 110.596 0.000 . 1 . . . A 79 GLN NE2 . 18954 1 875 . 1 1 80 80 GLU H H 1 7.884 0.000 . 1 . . . A 80 GLU H . 18954 1 876 . 1 1 80 80 GLU HA H 1 4.067 0.000 . 1 . . . A 80 GLU HA . 18954 1 877 . 1 1 80 80 GLU HB2 H 1 2.113 0.000 . 1 . . . A 80 GLU HB2 . 18954 1 878 . 1 1 80 80 GLU HB3 H 1 2.024 0.000 . 1 . . . A 80 GLU HB3 . 18954 1 879 . 1 1 80 80 GLU HG2 H 1 2.110 0.000 . 1 . . . A 80 GLU HG2 . 18954 1 880 . 1 1 80 80 GLU HG3 H 1 2.226 0.000 . 1 . . . A 80 GLU HG3 . 18954 1 881 . 1 1 80 80 GLU CA C 13 55.591 0.000 . 1 . . . A 80 GLU CA . 18954 1 882 . 1 1 80 80 GLU CB C 13 27.429 0.000 . 1 . . . A 80 GLU CB . 18954 1 883 . 1 1 80 80 GLU CG C 13 33.957 0.000 . 1 . . . A 80 GLU CG . 18954 1 884 . 1 1 80 80 GLU N N 15 116.824 0.000 . 1 . . . A 80 GLU N . 18954 1 885 . 1 1 81 81 LYS H H 1 7.396 0.000 . 1 . . . A 81 LYS H . 18954 1 886 . 1 1 81 81 LYS HA H 1 4.194 0.000 . 1 . . . A 81 LYS HA . 18954 1 887 . 1 1 81 81 LYS HB2 H 1 1.885 0.000 . 1 . . . A 81 LYS HB2 . 18954 1 888 . 1 1 81 81 LYS HB3 H 1 1.766 0.000 . 1 . . . A 81 LYS HB3 . 18954 1 889 . 1 1 81 81 LYS HG2 H 1 1.643 0.000 . 1 . . . A 81 LYS HG2 . 18954 1 890 . 1 1 81 81 LYS HG3 H 1 1.482 0.000 . 1 . . . A 81 LYS HG3 . 18954 1 891 . 1 1 81 81 LYS HD2 H 1 1.703 0.000 . 1 . . . A 81 LYS HD2 . 18954 1 892 . 1 1 81 81 LYS HD3 H 1 1.676 0.000 . 1 . . . A 81 LYS HD3 . 18954 1 893 . 1 1 81 81 LYS HE2 H 1 2.983 0.000 . 1 . . . A 81 LYS QE . 18954 1 894 . 1 1 81 81 LYS HE3 H 1 2.983 0.000 . 1 . . . A 81 LYS QE . 18954 1 895 . 1 1 81 81 LYS CA C 13 54.843 0.000 . 1 . . . A 81 LYS CA . 18954 1 896 . 1 1 81 81 LYS CB C 13 32.776 0.000 . 1 . . . A 81 LYS CB . 18954 1 897 . 1 1 81 81 LYS CG C 13 23.367 0.000 . 1 . . . A 81 LYS CG . 18954 1 898 . 1 1 81 81 LYS CD C 13 27.092 0.000 . 1 . . . A 81 LYS CD . 18954 1 899 . 1 1 81 81 LYS CE C 13 39.754 0.000 . 1 . . . A 81 LYS CE . 18954 1 900 . 1 1 81 81 LYS N N 15 118.113 0.000 . 1 . . . A 81 LYS N . 18954 1 901 . 1 1 82 82 TRP H H 1 7.966 0.000 . 1 . . . A 82 TRP H . 18954 1 902 . 1 1 82 82 TRP HA H 1 4.112 0.000 . 1 . . . A 82 TRP HA . 18954 1 903 . 1 1 82 82 TRP HB2 H 1 2.984 0.000 . 1 . . . A 82 TRP QB . 18954 1 904 . 1 1 82 82 TRP HB3 H 1 2.984 0.000 . 1 . . . A 82 TRP QB . 18954 1 905 . 1 1 82 82 TRP HD1 H 1 6.853 0.000 . 1 . . . A 82 TRP HD1 . 18954 1 906 . 1 1 82 82 TRP HE1 H 1 11.412 0.000 . 1 . . . A 82 TRP HE1 . 18954 1 907 . 1 1 82 82 TRP HE3 H 1 6.952 0.000 . 1 . . . A 82 TRP HE3 . 18954 1 908 . 1 1 82 82 TRP HZ2 H 1 6.976 0.000 . 1 . . . A 82 TRP HZ2 . 18954 1 909 . 1 1 82 82 TRP HZ3 H 1 6.465 0.000 . 1 . . . A 82 TRP HZ3 . 18954 1 910 . 1 1 82 82 TRP HH2 H 1 6.572 0.000 . 1 . . . A 82 TRP HH2 . 18954 1 911 . 1 1 82 82 TRP CA C 13 55.919 0.000 . 1 . . . A 82 TRP CA . 18954 1 912 . 1 1 82 82 TRP CB C 13 27.453 0.000 . 1 . . . A 82 TRP CB . 18954 1 913 . 1 1 82 82 TRP CD1 C 13 124.815 0.000 . 1 . . . A 82 TRP CD1 . 18954 1 914 . 1 1 82 82 TRP CE3 C 13 117.365 0.000 . 1 . . . A 82 TRP CE3 . 18954 1 915 . 1 1 82 82 TRP CZ2 C 13 111.360 0.000 . 1 . . . A 82 TRP CZ2 . 18954 1 916 . 1 1 82 82 TRP CZ3 C 13 117.802 0.000 . 1 . . . A 82 TRP CZ3 . 18954 1 917 . 1 1 82 82 TRP CH2 C 13 122.317 0.000 . 1 . . . A 82 TRP CH2 . 18954 1 918 . 1 1 82 82 TRP N N 15 119.572 0.000 . 1 . . . A 82 TRP N . 18954 1 919 . 1 1 82 82 TRP NE1 N 15 133.335 0.000 . 1 . . . A 82 TRP NE1 . 18954 1 920 . 1 1 83 83 HIS H H 1 8.566 0.000 . 1 . . . A 83 HIS H . 18954 1 921 . 1 1 83 83 HIS HA H 1 4.664 0.000 . 1 . . . A 83 HIS HA . 18954 1 922 . 1 1 83 83 HIS HB2 H 1 2.689 0.000 . 1 . . . A 83 HIS HB2 . 18954 1 923 . 1 1 83 83 HIS HB3 H 1 2.930 0.000 . 1 . . . A 83 HIS HB3 . 18954 1 924 . 1 1 83 83 HIS HD2 H 1 7.211 0.000 . 1 . . . A 83 HIS HD2 . 18954 1 925 . 1 1 83 83 HIS CA C 13 51.655 0.000 . 1 . . . A 83 HIS CA . 18954 1 926 . 1 1 83 83 HIS CB C 13 28.017 0.000 . 1 . . . A 83 HIS CB . 18954 1 927 . 1 1 83 83 HIS CD2 C 13 117.770 0.000 . 1 . . . A 83 HIS CD2 . 18954 1 928 . 1 1 83 83 HIS N N 15 126.139 0.000 . 1 . . . A 83 HIS N . 18954 1 929 . 1 1 84 84 ASP H H 1 8.913 0.000 . 1 . . . A 84 ASP H . 18954 1 930 . 1 1 84 84 ASP HA H 1 4.999 0.000 . 1 . . . A 84 ASP HA . 18954 1 931 . 1 1 84 84 ASP HB2 H 1 3.015 0.000 . 1 . . . A 84 ASP HB2 . 18954 1 932 . 1 1 84 84 ASP HB3 H 1 2.754 0.000 . 1 . . . A 84 ASP HB3 . 18954 1 933 . 1 1 84 84 ASP CA C 13 52.619 0.000 . 1 . . . A 84 ASP CA . 18954 1 934 . 1 1 84 84 ASP CB C 13 39.741 0.000 . 1 . . . A 84 ASP CB . 18954 1 935 . 1 1 84 84 ASP N N 15 125.751 0.000 . 1 . . . A 84 ASP N . 18954 1 936 . 1 1 85 85 SER H H 1 9.621 0.000 . 1 . . . A 85 SER H . 18954 1 937 . 1 1 85 85 SER HA H 1 4.924 0.000 . 1 . . . A 85 SER HA . 18954 1 938 . 1 1 85 85 SER HB2 H 1 3.986 0.000 . 1 . . . A 85 SER HB2 . 18954 1 939 . 1 1 85 85 SER HB3 H 1 4.397 0.000 . 1 . . . A 85 SER HB3 . 18954 1 940 . 1 1 85 85 SER CA C 13 53.657 0.000 . 1 . . . A 85 SER CA . 18954 1 941 . 1 1 85 85 SER CB C 13 64.982 0.000 . 1 . . . A 85 SER CB . 18954 1 942 . 1 1 85 85 SER N N 15 116.332 0.000 . 1 . . . A 85 SER N . 18954 1 943 . 1 1 86 86 ARG H H 1 8.695 0.000 . 1 . . . A 86 ARG H . 18954 1 944 . 1 1 86 86 ARG HA H 1 4.058 0.000 . 1 . . . A 86 ARG HA . 18954 1 945 . 1 1 86 86 ARG HB2 H 1 1.801 0.000 . 1 . . . A 86 ARG QB . 18954 1 946 . 1 1 86 86 ARG HB3 H 1 1.801 0.000 . 1 . . . A 86 ARG QB . 18954 1 947 . 1 1 86 86 ARG HG2 H 1 1.634 0.000 . 1 . . . A 86 ARG HG2 . 18954 1 948 . 1 1 86 86 ARG HG3 H 1 1.684 0.000 . 1 . . . A 86 ARG HG3 . 18954 1 949 . 1 1 86 86 ARG HD2 H 1 3.159 0.000 . 1 . . . A 86 ARG QD . 18954 1 950 . 1 1 86 86 ARG HD3 H 1 3.159 0.000 . 1 . . . A 86 ARG QD . 18954 1 951 . 1 1 86 86 ARG CA C 13 55.847 0.000 . 1 . . . A 86 ARG CA . 18954 1 952 . 1 1 86 86 ARG CB C 13 27.132 0.000 . 1 . . . A 86 ARG CB . 18954 1 953 . 1 1 86 86 ARG CG C 13 24.932 0.000 . 1 . . . A 86 ARG CG . 18954 1 954 . 1 1 86 86 ARG CD C 13 40.698 0.000 . 1 . . . A 86 ARG CD . 18954 1 955 . 1 1 86 86 ARG N N 15 118.680 0.000 . 1 . . . A 86 ARG N . 18954 1 956 . 1 1 87 87 ARG H H 1 7.710 0.000 . 1 . . . A 87 ARG H . 18954 1 957 . 1 1 87 87 ARG HA H 1 4.276 0.000 . 1 . . . A 87 ARG HA . 18954 1 958 . 1 1 87 87 ARG HB2 H 1 1.658 0.000 . 1 . . . A 87 ARG HB2 . 18954 1 959 . 1 1 87 87 ARG HB3 H 1 1.528 0.000 . 1 . . . A 87 ARG HB3 . 18954 1 960 . 1 1 87 87 ARG HG2 H 1 0.938 0.000 . 1 . . . A 87 ARG HG2 . 18954 1 961 . 1 1 87 87 ARG HG3 H 1 0.902 0.000 . 1 . . . A 87 ARG HG3 . 18954 1 962 . 1 1 87 87 ARG HD2 H 1 2.935 0.000 . 1 . . . A 87 ARG HD2 . 18954 1 963 . 1 1 87 87 ARG HD3 H 1 3.070 0.000 . 1 . . . A 87 ARG HD3 . 18954 1 964 . 1 1 87 87 ARG CA C 13 53.989 0.000 . 1 . . . A 87 ARG CA . 18954 1 965 . 1 1 87 87 ARG CB C 13 29.582 0.000 . 1 . . . A 87 ARG CB . 18954 1 966 . 1 1 87 87 ARG CG C 13 24.446 0.000 . 1 . . . A 87 ARG CG . 18954 1 967 . 1 1 87 87 ARG CD C 13 40.331 0.000 . 1 . . . A 87 ARG CD . 18954 1 968 . 1 1 87 87 ARG N N 15 117.323 0.000 . 1 . . . A 87 ARG N . 18954 1 969 . 1 1 88 88 TRP H H 1 7.374 0.000 . 1 . . . A 88 TRP H . 18954 1 970 . 1 1 88 88 TRP HA H 1 5.877 0.000 . 1 . . . A 88 TRP HA . 18954 1 971 . 1 1 88 88 TRP HB2 H 1 3.216 0.000 . 1 . . . A 88 TRP HB2 . 18954 1 972 . 1 1 88 88 TRP HB3 H 1 3.401 0.000 . 1 . . . A 88 TRP HB3 . 18954 1 973 . 1 1 88 88 TRP HD1 H 1 7.007 0.000 . 1 . . . A 88 TRP HD1 . 18954 1 974 . 1 1 88 88 TRP HE1 H 1 9.815 0.000 . 1 . . . A 88 TRP HE1 . 18954 1 975 . 1 1 88 88 TRP HE3 H 1 7.553 0.000 . 1 . . . A 88 TRP HE3 . 18954 1 976 . 1 1 88 88 TRP HZ2 H 1 7.298 0.000 . 1 . . . A 88 TRP HZ2 . 18954 1 977 . 1 1 88 88 TRP HZ3 H 1 6.927 0.000 . 1 . . . A 88 TRP HZ3 . 18954 1 978 . 1 1 88 88 TRP HH2 H 1 7.088 0.000 . 1 . . . A 88 TRP HH2 . 18954 1 979 . 1 1 88 88 TRP CA C 13 52.411 0.000 . 1 . . . A 88 TRP CA . 18954 1 980 . 1 1 88 88 TRP CB C 13 32.110 0.000 . 1 . . . A 88 TRP CB . 18954 1 981 . 1 1 88 88 TRP CD1 C 13 126.021 0.000 . 1 . . . A 88 TRP CD1 . 18954 1 982 . 1 1 88 88 TRP CE3 C 13 118.190 0.000 . 1 . . . A 88 TRP CE3 . 18954 1 983 . 1 1 88 88 TRP CZ2 C 13 112.277 0.000 . 1 . . . A 88 TRP CZ2 . 18954 1 984 . 1 1 88 88 TRP CZ3 C 13 118.810 0.000 . 1 . . . A 88 TRP CZ3 . 18954 1 985 . 1 1 88 88 TRP CH2 C 13 122.035 0.000 . 1 . . . A 88 TRP CH2 . 18954 1 986 . 1 1 88 88 TRP N N 15 115.976 0.000 . 1 . . . A 88 TRP N . 18954 1 987 . 1 1 88 88 TRP NE1 N 15 128.905 0.000 . 1 . . . A 88 TRP NE1 . 18954 1 988 . 1 1 89 89 GLN H H 1 8.803 0.000 . 1 . . . A 89 GLN H . 18954 1 989 . 1 1 89 89 GLN HA H 1 5.527 0.000 . 1 . . . A 89 GLN HA . 18954 1 990 . 1 1 89 89 GLN HB2 H 1 2.058 0.000 . 1 . . . A 89 GLN QB . 18954 1 991 . 1 1 89 89 GLN HB3 H 1 2.058 0.000 . 1 . . . A 89 GLN QB . 18954 1 992 . 1 1 89 89 GLN HG2 H 1 2.328 0.000 . 1 . . . A 89 GLN HG2 . 18954 1 993 . 1 1 89 89 GLN HG3 H 1 2.407 0.000 . 1 . . . A 89 GLN HG3 . 18954 1 994 . 1 1 89 89 GLN HE21 H 1 7.293 0.000 . 1 . . . A 89 GLN HE21 . 18954 1 995 . 1 1 89 89 GLN HE22 H 1 5.727 0.000 . 1 . . . A 89 GLN HE22 . 18954 1 996 . 1 1 89 89 GLN CA C 13 52.665 0.000 . 1 . . . A 89 GLN CA . 18954 1 997 . 1 1 89 89 GLN CB C 13 29.926 0.000 . 1 . . . A 89 GLN CB . 18954 1 998 . 1 1 89 89 GLN CG C 13 31.855 0.000 . 1 . . . A 89 GLN CG . 18954 1 999 . 1 1 89 89 GLN N N 15 118.426 0.000 . 1 . . . A 89 GLN N . 18954 1 1000 . 1 1 89 89 GLN NE2 N 15 110.338 0.000 . 1 . . . A 89 GLN NE2 . 18954 1 1001 . 1 1 90 90 LEU H H 1 8.518 0.000 . 1 . . . A 90 LEU H . 18954 1 1002 . 1 1 90 90 LEU HA H 1 5.229 0.000 . 1 . . . A 90 LEU HA . 18954 1 1003 . 1 1 90 90 LEU HB2 H 1 0.489 0.000 . 1 . . . A 90 LEU HB2 . 18954 1 1004 . 1 1 90 90 LEU HB3 H 1 -0.345 0.000 . 1 . . . A 90 LEU HB3 . 18954 1 1005 . 1 1 90 90 LEU HG H 1 0.760 0.000 . 1 . . . A 90 LEU HG . 18954 1 1006 . 1 1 90 90 LEU HD11 H 1 0.756 0.000 . 1 . . . A 90 LEU QD1 . 18954 1 1007 . 1 1 90 90 LEU HD12 H 1 0.756 0.000 . 1 . . . A 90 LEU QD1 . 18954 1 1008 . 1 1 90 90 LEU HD13 H 1 0.756 0.000 . 1 . . . A 90 LEU QD1 . 18954 1 1009 . 1 1 90 90 LEU HD21 H 1 -0.097 0.000 . 1 . . . A 90 LEU QD2 . 18954 1 1010 . 1 1 90 90 LEU HD22 H 1 -0.097 0.000 . 1 . . . A 90 LEU QD2 . 18954 1 1011 . 1 1 90 90 LEU HD23 H 1 -0.097 0.000 . 1 . . . A 90 LEU QD2 . 18954 1 1012 . 1 1 90 90 LEU CA C 13 50.846 0.000 . 1 . . . A 90 LEU CA . 18954 1 1013 . 1 1 90 90 LEU CB C 13 39.965 0.000 . 1 . . . A 90 LEU CB . 18954 1 1014 . 1 1 90 90 LEU CG C 13 24.000 0.000 . 1 . . . A 90 LEU CG . 18954 1 1015 . 1 1 90 90 LEU CD1 C 13 22.963 0.000 . 1 . . . A 90 LEU CD1 . 18954 1 1016 . 1 1 90 90 LEU CD2 C 13 22.335 0.000 . 1 . . . A 90 LEU CD2 . 18954 1 1017 . 1 1 90 90 LEU N N 15 127.680 0.000 . 1 . . . A 90 LEU N . 18954 1 1018 . 1 1 91 91 SER H H 1 8.979 0.000 . 1 . . . A 91 SER H . 18954 1 1019 . 1 1 91 91 SER HA H 1 4.639 0.000 . 1 . . . A 91 SER HA . 18954 1 1020 . 1 1 91 91 SER HB2 H 1 3.715 0.000 . 1 . . . A 91 SER QB . 18954 1 1021 . 1 1 91 91 SER HB3 H 1 3.715 0.000 . 1 . . . A 91 SER QB . 18954 1 1022 . 1 1 91 91 SER CA C 13 54.241 0.000 . 1 . . . A 91 SER CA . 18954 1 1023 . 1 1 91 91 SER CB C 13 63.274 0.000 . 1 . . . A 91 SER CB . 18954 1 1024 . 1 1 91 91 SER N N 15 121.513 0.000 . 1 . . . A 91 SER N . 18954 1 1025 . 1 1 92 92 VAL H H 1 8.277 0.000 . 1 . . . A 92 VAL H . 18954 1 1026 . 1 1 92 92 VAL HA H 1 4.116 0.000 . 1 . . . A 92 VAL HA . 18954 1 1027 . 1 1 92 92 VAL HB H 1 1.818 0.000 . 1 . . . A 92 VAL HB . 18954 1 1028 . 1 1 92 92 VAL HG11 H 1 0.863 0.000 . 1 . . . A 92 VAL QG1 . 18954 1 1029 . 1 1 92 92 VAL HG12 H 1 0.863 0.000 . 1 . . . A 92 VAL QG1 . 18954 1 1030 . 1 1 92 92 VAL HG13 H 1 0.863 0.000 . 1 . . . A 92 VAL QG1 . 18954 1 1031 . 1 1 92 92 VAL HG21 H 1 0.787 0.000 . 1 . . . A 92 VAL QG2 . 18954 1 1032 . 1 1 92 92 VAL HG22 H 1 0.787 0.000 . 1 . . . A 92 VAL QG2 . 18954 1 1033 . 1 1 92 92 VAL HG23 H 1 0.787 0.000 . 1 . . . A 92 VAL QG2 . 18954 1 1034 . 1 1 92 92 VAL CA C 13 59.889 0.000 . 1 . . . A 92 VAL CA . 18954 1 1035 . 1 1 92 92 VAL CB C 13 30.225 0.000 . 1 . . . A 92 VAL CB . 18954 1 1036 . 1 1 92 92 VAL CG1 C 13 19.142 0.000 . 1 . . . A 92 VAL CG1 . 18954 1 1037 . 1 1 92 92 VAL CG2 C 13 19.206 0.000 . 1 . . . A 92 VAL CG2 . 18954 1 1038 . 1 1 92 92 VAL N N 15 120.290 0.000 . 1 . . . A 92 VAL N . 18954 1 1039 . 1 1 93 93 ALA H H 1 8.521 0.000 . 1 . . . A 93 ALA H . 18954 1 1040 . 1 1 93 93 ALA HA H 1 4.179 0.000 . 1 . . . A 93 ALA HA . 18954 1 1041 . 1 1 93 93 ALA HB1 H 1 1.132 0.000 . 1 . . . A 93 ALA QB . 18954 1 1042 . 1 1 93 93 ALA HB2 H 1 1.132 0.000 . 1 . . . A 93 ALA QB . 18954 1 1043 . 1 1 93 93 ALA HB3 H 1 1.132 0.000 . 1 . . . A 93 ALA QB . 18954 1 1044 . 1 1 93 93 ALA CA C 13 50.193 0.000 . 1 . . . A 93 ALA CA . 18954 1 1045 . 1 1 93 93 ALA CB C 13 16.620 0.000 . 1 . . . A 93 ALA CB . 18954 1 1046 . 1 1 93 93 ALA N N 15 130.076 0.000 . 1 . . . A 93 ALA N . 18954 1 1047 . 1 1 94 94 THR H H 1 8.099 0.000 . 1 . . . A 94 THR H . 18954 1 1048 . 1 1 94 94 THR HA H 1 4.190 0.000 . 1 . . . A 94 THR HA . 18954 1 1049 . 1 1 94 94 THR HB H 1 4.191 0.000 . 1 . . . A 94 THR HB . 18954 1 1050 . 1 1 94 94 THR HG21 H 1 1.108 0.000 . 1 . . . A 94 THR QG2 . 18954 1 1051 . 1 1 94 94 THR HG22 H 1 1.108 0.000 . 1 . . . A 94 THR QG2 . 18954 1 1052 . 1 1 94 94 THR HG23 H 1 1.108 0.000 . 1 . . . A 94 THR QG2 . 18954 1 1053 . 1 1 94 94 THR CA C 13 65.409 0.000 . 1 . . . A 94 THR CA . 18954 1 1054 . 1 1 94 94 THR CB C 13 67.702 0.000 . 1 . . . A 94 THR CB . 18954 1 1055 . 1 1 94 94 THR CG2 C 13 19.022 0.000 . 1 . . . A 94 THR CG2 . 18954 1 1056 . 1 1 94 94 THR N N 15 113.705 0.000 . 1 . . . A 94 THR N . 18954 1 1057 . 1 1 95 95 GLU H H 1 7.896 0.000 . 1 . . . A 95 GLU H . 18954 1 1058 . 1 1 95 95 GLU HA H 1 4.065 0.000 . 1 . . . A 95 GLU HA . 18954 1 1059 . 1 1 95 95 GLU HB2 H 1 1.974 0.000 . 1 . . . A 95 GLU HB2 . 18954 1 1060 . 1 1 95 95 GLU HB3 H 1 1.824 0.000 . 1 . . . A 95 GLU HB3 . 18954 1 1061 . 1 1 95 95 GLU HG2 H 1 1.820 0.000 . 1 . . . A 95 GLU HG2 . 18954 1 1062 . 1 1 95 95 GLU HG3 H 1 1.730 0.000 . 1 . . . A 95 GLU HG3 . 18954 1 1063 . 1 1 95 95 GLU CA C 13 55.727 0.000 . 1 . . . A 95 GLU CA . 18954 1 1064 . 1 1 95 95 GLU CB C 13 28.467 0.000 . 1 . . . A 95 GLU CB . 18954 1 1065 . 1 1 95 95 GLU CG C 13 35.740 0.000 . 1 . . . A 95 GLU CG . 18954 1 1066 . 1 1 95 95 GLU N N 15 127.166 0.000 . 1 . . . A 95 GLU N . 18954 1 stop_ save_