data_16016 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16016 _Entry.Title ; NMR structure of TM0212 at 40 C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-31 _Entry.Accession_date 2008-10-31 _Entry.Last_release_date 2012-07-19 _Entry.Original_release_date 2012-07-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bill Pedrini . . . 16016 2 Torsten Herrmann . . . 16016 3 Biswaranjan Mohanty . . . 16016 4 Michael Geralt . . . 16016 5 Kurt Wuthrich . . . 16016 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' . 16016 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 16016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 16016 '15N chemical shifts' 128 16016 '1H chemical shifts' 825 16016 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 . . 2012-07-19 2008-10-31 original author . 16016 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1zko 'X-ray structure' 16016 PDB 2KA7 'BMRB Entry Tracking System' 16016 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 16016 _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 'Chemical shift assignment of TM0212' _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 Bill Pedrini . . . 16016 1 2 Torsten Herrmann . . . 16016 1 3 Biswaranjan Mohanty . . . 16016 1 4 Michael Geralt . . . 16016 1 5 Kurt Wuthrich . . . 16016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16016 _Assembly.ID 1 _Assembly.Name TM0212 _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 TM0212 1 $TM0212 A . yes native no no . . . 16016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM0212 _Entity.Sf_category entity _Entity.Sf_framecode TM0212 _Entity.Entry_ID 16016 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM0212 _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 ; MKMKKYTKTHEWVSIEDKVA TVGITNHAQEQLGDVVYVDL PEVGREVKKGEVVASIESVK AAADVYAPLSGKIVEVNEKL DTEPELINKDPEGEGWLFKM EISDEGELEDLLDEQAYQEF CAQE ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ZKO . "Crystal Structure Of Glycine Cleavage System H Protein (Tm0212) From Thermotoga Maritima At 1.65 A Resolution" . . . . . 100.00 136 97.58 98.39 2.46e-79 . . . . 16016 1 2 no PDB 2KA7 . "Nmr Solution Structure Of Tm0212 At 40 C" . . . . . 100.00 124 100.00 100.00 4.69e-82 . . . . 16016 1 3 no GB AAD35304 . "glycine cleavage system H protein [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 4.69e-82 . . . . 16016 1 4 no GB ACB09088 . "glycine cleavage system H protein [Thermotoga sp. RQ2]" . . . . . 98.39 122 98.36 99.18 3.28e-79 . . . . 16016 1 5 no GB AGL49136 . "Glycine cleavage system H protein [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 4.69e-82 . . . . 16016 1 6 no GB AHD18024 . "glycine cleavage system protein H [Thermotoga maritima MSB8]" . . . . . 98.39 122 100.00 100.00 1.82e-80 . . . . 16016 1 7 no GB AKE26151 . "glycine cleavage system protein H [Thermotoga maritima]" . . . . . 98.39 122 100.00 100.00 1.82e-80 . . . . 16016 1 8 no REF NP_228027 . "glycine cleavage system protein H [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 4.69e-82 . . . . 16016 1 9 no REF WP_004082886 . "glycine cleavage system protein H [Thermotoga maritima]" . . . . . 98.39 122 100.00 100.00 1.82e-80 . . . . 16016 1 10 no REF WP_010865076 . "glycine cleavage system protein H [Thermotoga maritima]" . . . . . 100.00 124 100.00 100.00 4.69e-82 . . . . 16016 1 11 no REF WP_012310713 . "glycine cleavage system protein H [Thermotoga sp. RQ2]" . . . . . 98.39 122 98.36 99.18 3.28e-79 . . . . 16016 1 12 no SP Q9WY55 . "RecName: Full=Glycine cleavage system H protein" . . . . . 100.00 124 100.00 100.00 4.69e-82 . . . . 16016 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16016 1 2 . LYS . 16016 1 3 . MET . 16016 1 4 . LYS . 16016 1 5 . LYS . 16016 1 6 . TYR . 16016 1 7 . THR . 16016 1 8 . LYS . 16016 1 9 . THR . 16016 1 10 . HIS . 16016 1 11 . GLU . 16016 1 12 . TRP . 16016 1 13 . VAL . 16016 1 14 . SER . 16016 1 15 . ILE . 16016 1 16 . GLU . 16016 1 17 . ASP . 16016 1 18 . LYS . 16016 1 19 . VAL . 16016 1 20 . ALA . 16016 1 21 . THR . 16016 1 22 . VAL . 16016 1 23 . GLY . 16016 1 24 . ILE . 16016 1 25 . THR . 16016 1 26 . ASN . 16016 1 27 . HIS . 16016 1 28 . ALA . 16016 1 29 . GLN . 16016 1 30 . GLU . 16016 1 31 . GLN . 16016 1 32 . LEU . 16016 1 33 . GLY . 16016 1 34 . ASP . 16016 1 35 . VAL . 16016 1 36 . VAL . 16016 1 37 . TYR . 16016 1 38 . VAL . 16016 1 39 . ASP . 16016 1 40 . LEU . 16016 1 41 . PRO . 16016 1 42 . GLU . 16016 1 43 . VAL . 16016 1 44 . GLY . 16016 1 45 . ARG . 16016 1 46 . GLU . 16016 1 47 . VAL . 16016 1 48 . LYS . 16016 1 49 . LYS . 16016 1 50 . GLY . 16016 1 51 . GLU . 16016 1 52 . VAL . 16016 1 53 . VAL . 16016 1 54 . ALA . 16016 1 55 . SER . 16016 1 56 . ILE . 16016 1 57 . GLU . 16016 1 58 . SER . 16016 1 59 . VAL . 16016 1 60 . LYS . 16016 1 61 . ALA . 16016 1 62 . ALA . 16016 1 63 . ALA . 16016 1 64 . ASP . 16016 1 65 . VAL . 16016 1 66 . TYR . 16016 1 67 . ALA . 16016 1 68 . PRO . 16016 1 69 . LEU . 16016 1 70 . SER . 16016 1 71 . GLY . 16016 1 72 . LYS . 16016 1 73 . ILE . 16016 1 74 . VAL . 16016 1 75 . GLU . 16016 1 76 . VAL . 16016 1 77 . ASN . 16016 1 78 . GLU . 16016 1 79 . LYS . 16016 1 80 . LEU . 16016 1 81 . ASP . 16016 1 82 . THR . 16016 1 83 . GLU . 16016 1 84 . PRO . 16016 1 85 . GLU . 16016 1 86 . LEU . 16016 1 87 . ILE . 16016 1 88 . ASN . 16016 1 89 . LYS . 16016 1 90 . ASP . 16016 1 91 . PRO . 16016 1 92 . GLU . 16016 1 93 . GLY . 16016 1 94 . GLU . 16016 1 95 . GLY . 16016 1 96 . TRP . 16016 1 97 . LEU . 16016 1 98 . PHE . 16016 1 99 . LYS . 16016 1 100 . MET . 16016 1 101 . GLU . 16016 1 102 . ILE . 16016 1 103 . SER . 16016 1 104 . ASP . 16016 1 105 . GLU . 16016 1 106 . GLY . 16016 1 107 . GLU . 16016 1 108 . LEU . 16016 1 109 . GLU . 16016 1 110 . ASP . 16016 1 111 . LEU . 16016 1 112 . LEU . 16016 1 113 . ASP . 16016 1 114 . GLU . 16016 1 115 . GLN . 16016 1 116 . ALA . 16016 1 117 . TYR . 16016 1 118 . GLN . 16016 1 119 . GLU . 16016 1 120 . PHE . 16016 1 121 . CYS . 16016 1 122 . ALA . 16016 1 123 . GLN . 16016 1 124 . GLU . 16016 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16016 1 . LYS 2 2 16016 1 . MET 3 3 16016 1 . LYS 4 4 16016 1 . LYS 5 5 16016 1 . TYR 6 6 16016 1 . THR 7 7 16016 1 . LYS 8 8 16016 1 . THR 9 9 16016 1 . HIS 10 10 16016 1 . GLU 11 11 16016 1 . TRP 12 12 16016 1 . VAL 13 13 16016 1 . SER 14 14 16016 1 . ILE 15 15 16016 1 . GLU 16 16 16016 1 . ASP 17 17 16016 1 . LYS 18 18 16016 1 . VAL 19 19 16016 1 . ALA 20 20 16016 1 . THR 21 21 16016 1 . VAL 22 22 16016 1 . GLY 23 23 16016 1 . ILE 24 24 16016 1 . THR 25 25 16016 1 . ASN 26 26 16016 1 . HIS 27 27 16016 1 . ALA 28 28 16016 1 . GLN 29 29 16016 1 . GLU 30 30 16016 1 . GLN 31 31 16016 1 . LEU 32 32 16016 1 . GLY 33 33 16016 1 . ASP 34 34 16016 1 . VAL 35 35 16016 1 . VAL 36 36 16016 1 . TYR 37 37 16016 1 . VAL 38 38 16016 1 . ASP 39 39 16016 1 . LEU 40 40 16016 1 . PRO 41 41 16016 1 . GLU 42 42 16016 1 . VAL 43 43 16016 1 . GLY 44 44 16016 1 . ARG 45 45 16016 1 . GLU 46 46 16016 1 . VAL 47 47 16016 1 . LYS 48 48 16016 1 . LYS 49 49 16016 1 . GLY 50 50 16016 1 . GLU 51 51 16016 1 . VAL 52 52 16016 1 . VAL 53 53 16016 1 . ALA 54 54 16016 1 . SER 55 55 16016 1 . ILE 56 56 16016 1 . GLU 57 57 16016 1 . SER 58 58 16016 1 . VAL 59 59 16016 1 . LYS 60 60 16016 1 . ALA 61 61 16016 1 . ALA 62 62 16016 1 . ALA 63 63 16016 1 . ASP 64 64 16016 1 . VAL 65 65 16016 1 . TYR 66 66 16016 1 . ALA 67 67 16016 1 . PRO 68 68 16016 1 . LEU 69 69 16016 1 . SER 70 70 16016 1 . GLY 71 71 16016 1 . LYS 72 72 16016 1 . ILE 73 73 16016 1 . VAL 74 74 16016 1 . GLU 75 75 16016 1 . VAL 76 76 16016 1 . ASN 77 77 16016 1 . GLU 78 78 16016 1 . LYS 79 79 16016 1 . LEU 80 80 16016 1 . ASP 81 81 16016 1 . THR 82 82 16016 1 . GLU 83 83 16016 1 . PRO 84 84 16016 1 . GLU 85 85 16016 1 . LEU 86 86 16016 1 . ILE 87 87 16016 1 . ASN 88 88 16016 1 . LYS 89 89 16016 1 . ASP 90 90 16016 1 . PRO 91 91 16016 1 . GLU 92 92 16016 1 . GLY 93 93 16016 1 . GLU 94 94 16016 1 . GLY 95 95 16016 1 . TRP 96 96 16016 1 . LEU 97 97 16016 1 . PHE 98 98 16016 1 . LYS 99 99 16016 1 . MET 100 100 16016 1 . GLU 101 101 16016 1 . ILE 102 102 16016 1 . SER 103 103 16016 1 . ASP 104 104 16016 1 . GLU 105 105 16016 1 . GLY 106 106 16016 1 . GLU 107 107 16016 1 . LEU 108 108 16016 1 . GLU 109 109 16016 1 . ASP 110 110 16016 1 . LEU 111 111 16016 1 . LEU 112 112 16016 1 . ASP 113 113 16016 1 . GLU 114 114 16016 1 . GLN 115 115 16016 1 . ALA 116 116 16016 1 . TYR 117 117 16016 1 . GLN 118 118 16016 1 . GLU 119 119 16016 1 . PHE 120 120 16016 1 . CYS 121 121 16016 1 . ALA 122 122 16016 1 . GLN 123 123 16016 1 . GLU 124 124 16016 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 16016 _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 $TM0212 . 2336 organism . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 16016 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 16016 _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 $TM0212 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 25b' . . . . . . 16016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16016 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TM0212 '[U-100% 13C; U-100% 15N]' . . 1 $TM0212 . . 2.4 . . mM 0.2 . . . 16016 1 2 NaP 'natural abundance' . . . . . . 25 . . mM . . . . 16016 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16016 1 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 16016 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 16016 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 25mM NaP + 50mM NaCl Buffer 5mM deuterated DTT ; 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 pH 6.0 0.1 pH 16016 1 pressure 1 . atm 16016 1 temperature 313.0 0.5 K 16016 1 stop_ save_ ############################ # Computer software used # ############################ save_GAPRO _Software.Sf_category software _Software.Sf_framecode GAPRO _Software.Entry_ID 16016 _Software.ID 1 _Software.Name GAPRO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hiller and Fiorito' . . 16016 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automated analysis of 2D APSY NMR projection' 16016 1 stop_ save_ save_MATCH _Software.Sf_category software _Software.Sf_framecode MATCH _Software.Entry_ID 16016 _Software.ID 2 _Software.Name MATCH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Volk and Herrmann' . . 16016 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automated backbone assignment' 16016 2 stop_ save_ save_ASCAN _Software.Sf_category software _Software.Sf_framecode ASCAN _Software.Entry_ID 16016 _Software.ID 3 _Software.Name ASCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Fiorito and Herrmann' . . 16016 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOESY-based sidechain assignment' 16016 3 stop_ save_ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 16016 _Software.ID 4 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Guntert' . . 16016 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment and constraint collection' 16016 4 'peak picking' 16016 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16016 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16016 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16016 5 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 16016 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16016 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16016 6 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 16016 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16016 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16016 _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 . 800 . . . 16016 1 2 spectrometer_2 Bruker Avance . 600 . . . 16016 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 16016 _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 '6D APSY HNCOCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16016 1 2 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16016 1 3 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16016 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16016 1 5 '3D 1H-13C aliphatic NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16016 1 6 '3D 1H-13C aromatic NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16016 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 16016 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16016 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16016 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16016 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 16016 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '6D APSY HNCOCANH' . . . 16016 1 2 '5D APSY HACACONH' . . . 16016 1 3 '5D APSY CBCACONH' . . . 16016 1 4 '3D 1H-15N NOESY' . . . 16016 1 5 '3D 1H-13C aliphatic NOESY' . . . 16016 1 6 '3D 1H-13C aromatic NOESY' . . . 16016 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $CYANA . . 16016 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS HA H 1 4.907 0.008 . 1 . . . . 2 K HA . 16016 1 2 . 1 1 2 2 LYS HB2 H 1 1.716 0.008 . 2 . . . . 2 K HB2 . 16016 1 3 . 1 1 2 2 LYS HB3 H 1 1.396 0.008 . 2 . . . . 2 K HB3 . 16016 1 4 . 1 1 2 2 LYS CA C 13 56.089 0.200 . 1 . . . . 2 K CA . 16016 1 5 . 1 1 2 2 LYS CB C 13 34.049 0.200 . 1 . . . . 2 K CB . 16016 1 6 . 1 1 3 3 MET H H 1 8.379 0.008 . 1 . . . . 3 M H . 16016 1 7 . 1 1 3 3 MET HA H 1 4.696 0.008 . 1 . . . . 3 M HA . 16016 1 8 . 1 1 3 3 MET HB2 H 1 2.028 0.008 . 2 . . . . 3 M HB2 . 16016 1 9 . 1 1 3 3 MET HB3 H 1 2.130 0.008 . 2 . . . . 3 M HB3 . 16016 1 10 . 1 1 3 3 MET HE1 H 1 2.113 0.008 . 1 . . . . 3 M QE . 16016 1 11 . 1 1 3 3 MET HE2 H 1 2.113 0.008 . 1 . . . . 3 M QE . 16016 1 12 . 1 1 3 3 MET HE3 H 1 2.113 0.008 . 1 . . . . 3 M QE . 16016 1 13 . 1 1 3 3 MET HG2 H 1 2.460 0.008 . 2 . . . . 3 M HG2 . 16016 1 14 . 1 1 3 3 MET CA C 13 55.179 0.200 . 1 . . . . 3 M CA . 16016 1 15 . 1 1 3 3 MET CB C 13 35.659 0.200 . 1 . . . . 3 M CB . 16016 1 16 . 1 1 3 3 MET CE C 13 17.011 0.200 . 1 . . . . 3 M CE . 16016 1 17 . 1 1 3 3 MET CG C 13 31.550 0.200 . 1 . . . . 3 M CG . 16016 1 18 . 1 1 3 3 MET N N 15 122.159 0.150 . 1 . . . . 3 M N . 16016 1 19 . 1 1 4 4 LYS H H 1 8.499 0.008 . 1 . . . . 4 K H . 16016 1 20 . 1 1 4 4 LYS HA H 1 5.446 0.008 . 1 . . . . 4 K HA . 16016 1 21 . 1 1 4 4 LYS HB2 H 1 1.748 0.008 . 2 . . . . 4 K HB2 . 16016 1 22 . 1 1 4 4 LYS HB3 H 1 1.625 0.008 . 2 . . . . 4 K HB3 . 16016 1 23 . 1 1 4 4 LYS CA C 13 55.319 0.200 . 1 . . . . 4 K CA . 16016 1 24 . 1 1 4 4 LYS CB C 13 35.029 0.200 . 1 . . . . 4 K CB . 16016 1 25 . 1 1 4 4 LYS N N 15 125.749 0.150 . 1 . . . . 4 K N . 16016 1 26 . 1 1 5 5 LYS H H 1 8.817 0.008 . 1 . . . . 5 K H . 16016 1 27 . 1 1 5 5 LYS HA H 1 4.959 0.008 . 1 . . . . 5 K HA . 16016 1 28 . 1 1 5 5 LYS HB2 H 1 1.338 0.008 . 2 . . . . 5 K HB2 . 16016 1 29 . 1 1 5 5 LYS HB3 H 1 2.007 0.008 . 2 . . . . 5 K HB3 . 16016 1 30 . 1 1 5 5 LYS HG2 H 1 1.335 0.008 . 2 . . . . 5 K HG2 . 16016 1 31 . 1 1 5 5 LYS CA C 13 54.139 0.200 . 1 . . . . 5 K CA . 16016 1 32 . 1 1 5 5 LYS CB C 13 38.799 0.200 . 1 . . . . 5 K CB . 16016 1 33 . 1 1 5 5 LYS CG C 13 25.887 0.200 . 1 . . . . 5 K CG . 16016 1 34 . 1 1 5 5 LYS N N 15 124.269 0.150 . 1 . . . . 5 K N . 16016 1 35 . 1 1 6 6 TYR H H 1 9.283 0.008 . 1 . . . . 6 Y H . 16016 1 36 . 1 1 6 6 TYR HA H 1 5.415 0.008 . 1 . . . . 6 Y HA . 16016 1 37 . 1 1 6 6 TYR HB2 H 1 2.281 0.008 . 2 . . . . 6 Y HB2 . 16016 1 38 . 1 1 6 6 TYR HB3 H 1 2.541 0.008 . 2 . . . . 6 Y HB3 . 16016 1 39 . 1 1 6 6 TYR HD1 H 1 6.584 0.008 . 3 . . . . 6 Y QD . 16016 1 40 . 1 1 6 6 TYR HD2 H 1 6.584 0.008 . 3 . . . . 6 Y QD . 16016 1 41 . 1 1 6 6 TYR HE1 H 1 6.551 0.008 . 3 . . . . 6 Y QE . 16016 1 42 . 1 1 6 6 TYR HE2 H 1 6.551 0.008 . 3 . . . . 6 Y QE . 16016 1 43 . 1 1 6 6 TYR CA C 13 57.329 0.200 . 1 . . . . 6 Y CA . 16016 1 44 . 1 1 6 6 TYR CB C 13 43.919 0.200 . 1 . . . . 6 Y CB . 16016 1 45 . 1 1 6 6 TYR CD1 C 13 133.289 0.200 . 3 . . . . 6 Y CD1 . 16016 1 46 . 1 1 6 6 TYR CE1 C 13 116.802 0.200 . 3 . . . . 6 Y CE1 . 16016 1 47 . 1 1 6 6 TYR N N 15 116.413 0.150 . 1 . . . . 6 Y N . 16016 1 48 . 1 1 7 7 THR H H 1 8.677 0.008 . 1 . . . . 7 T H . 16016 1 49 . 1 1 7 7 THR HA H 1 5.085 0.008 . 1 . . . . 7 T HA . 16016 1 50 . 1 1 7 7 THR HB H 1 4.510 0.008 . 1 . . . . 7 T HB . 16016 1 51 . 1 1 7 7 THR HG21 H 1 1.111 0.008 . 1 . . . . 7 T QG2 . 16016 1 52 . 1 1 7 7 THR HG22 H 1 1.111 0.008 . 1 . . . . 7 T QG2 . 16016 1 53 . 1 1 7 7 THR HG23 H 1 1.111 0.008 . 1 . . . . 7 T QG2 . 16016 1 54 . 1 1 7 7 THR CA C 13 58.539 0.200 . 1 . . . . 7 T CA . 16016 1 55 . 1 1 7 7 THR CB C 13 71.819 0.200 . 1 . . . . 7 T CB . 16016 1 56 . 1 1 7 7 THR CG2 C 13 22.030 0.200 . 1 . . . . 7 T CG2 . 16016 1 57 . 1 1 7 7 THR N N 15 108.889 0.150 . 1 . . . . 7 T N . 16016 1 58 . 1 1 8 8 LYS H H 1 8.502 0.008 . 1 . . . . 8 K H . 16016 1 59 . 1 1 8 8 LYS HA H 1 3.600 0.008 . 1 . . . . 8 K HA . 16016 1 60 . 1 1 8 8 LYS HB2 H 1 1.440 0.008 . 2 . . . . 8 K HB2 . 16016 1 61 . 1 1 8 8 LYS HB3 H 1 1.654 0.008 . 2 . . . . 8 K HB3 . 16016 1 62 . 1 1 8 8 LYS HE2 H 1 2.779 0.008 . 2 . . . . 8 K HE2 . 16016 1 63 . 1 1 8 8 LYS HE3 H 1 2.706 0.008 . 2 . . . . 8 K HE3 . 16016 1 64 . 1 1 8 8 LYS HG2 H 1 0.050 0.008 . 2 . . . . 8 K HG2 . 16016 1 65 . 1 1 8 8 LYS HG3 H 1 1.162 0.008 . 2 . . . . 8 K HG3 . 16016 1 66 . 1 1 8 8 LYS CA C 13 57.669 0.200 . 1 . . . . 8 K CA . 16016 1 67 . 1 1 8 8 LYS CB C 13 31.809 0.200 . 1 . . . . 8 K CB . 16016 1 68 . 1 1 8 8 LYS CD C 13 25.273 0.200 . 1 . . . . 8 K CD . 16016 1 69 . 1 1 8 8 LYS CE C 13 42.101 0.200 . 1 . . . . 8 K CE . 16016 1 70 . 1 1 8 8 LYS CG C 13 26.737 0.200 . 1 . . . . 8 K CG . 16016 1 71 . 1 1 8 8 LYS N N 15 116.172 0.150 . 1 . . . . 8 K N . 16016 1 72 . 1 1 9 9 THR H H 1 7.412 0.008 . 1 . . . . 9 T H . 16016 1 73 . 1 1 9 9 THR HA H 1 4.313 0.008 . 1 . . . . 9 T HA . 16016 1 74 . 1 1 9 9 THR HB H 1 4.975 0.008 . 1 . . . . 9 T HB . 16016 1 75 . 1 1 9 9 THR HG21 H 1 0.948 0.008 . 1 . . . . 9 T QG2 . 16016 1 76 . 1 1 9 9 THR HG22 H 1 0.948 0.008 . 1 . . . . 9 T QG2 . 16016 1 77 . 1 1 9 9 THR HG23 H 1 0.948 0.008 . 1 . . . . 9 T QG2 . 16016 1 78 . 1 1 9 9 THR CA C 13 60.409 0.200 . 1 . . . . 9 T CA . 16016 1 79 . 1 1 9 9 THR CB C 13 67.179 0.200 . 1 . . . . 9 T CB . 16016 1 80 . 1 1 9 9 THR CG2 C 13 21.960 0.200 . 1 . . . . 9 T CG2 . 16016 1 81 . 1 1 9 9 THR N N 15 104.659 0.150 . 1 . . . . 9 T N . 16016 1 82 . 1 1 10 10 HIS H H 1 7.543 0.008 . 1 . . . . 10 H H . 16016 1 83 . 1 1 10 10 HIS HA H 1 4.331 0.008 . 1 . . . . 10 H HA . 16016 1 84 . 1 1 10 10 HIS HB2 H 1 3.581 0.008 . 2 . . . . 10 H HB2 . 16016 1 85 . 1 1 10 10 HIS HB3 H 1 3.866 0.008 . 2 . . . . 10 H HB3 . 16016 1 86 . 1 1 10 10 HIS HD2 H 1 7.196 0.008 . 1 . . . . 10 H HD2 . 16016 1 87 . 1 1 10 10 HIS HE1 H 1 7.804 0.008 . 1 . . . . 10 H HE1 . 16016 1 88 . 1 1 10 10 HIS CA C 13 59.159 0.200 . 1 . . . . 10 H CA . 16016 1 89 . 1 1 10 10 HIS CB C 13 27.429 0.200 . 1 . . . . 10 H CB . 16016 1 90 . 1 1 10 10 HIS CD2 C 13 118.669 0.200 . 1 . . . . 10 H CD2 . 16016 1 91 . 1 1 10 10 HIS CE1 C 13 138.177 0.200 . 1 . . . . 10 H CE1 . 16016 1 92 . 1 1 10 10 HIS N N 15 111.477 0.150 . 1 . . . . 10 H N . 16016 1 93 . 1 1 11 11 GLU H H 1 7.783 0.008 . 1 . . . . 11 E H . 16016 1 94 . 1 1 11 11 GLU HA H 1 5.294 0.008 . 1 . . . . 11 E HA . 16016 1 95 . 1 1 11 11 GLU HB2 H 1 1.930 0.008 . 2 . . . . 11 E QB . 16016 1 96 . 1 1 11 11 GLU HB3 H 1 1.930 0.008 . 2 . . . . 11 E QB . 16016 1 97 . 1 1 11 11 GLU HG2 H 1 2.355 0.008 . 2 . . . . 11 E HG2 . 16016 1 98 . 1 1 11 11 GLU HG3 H 1 2.253 0.008 . 2 . . . . 11 E HG3 . 16016 1 99 . 1 1 11 11 GLU CA C 13 55.229 0.200 . 1 . . . . 11 E CA . 16016 1 100 . 1 1 11 11 GLU CB C 13 30.159 0.200 . 1 . . . . 11 E CB . 16016 1 101 . 1 1 11 11 GLU CG C 13 35.476 0.200 . 1 . . . . 11 E CG . 16016 1 102 . 1 1 11 11 GLU N N 15 115.599 0.150 . 1 . . . . 11 E N . 16016 1 103 . 1 1 12 12 TRP H H 1 8.196 0.008 . 1 . . . . 12 W H . 16016 1 104 . 1 1 12 12 TRP HA H 1 5.237 0.008 . 1 . . . . 12 W HA . 16016 1 105 . 1 1 12 12 TRP HB2 H 1 2.607 0.008 . 2 . . . . 12 W QB . 16016 1 106 . 1 1 12 12 TRP HB3 H 1 2.607 0.008 . 2 . . . . 12 W QB . 16016 1 107 . 1 1 12 12 TRP HD1 H 1 6.367 0.008 . 1 . . . . 12 W HD1 . 16016 1 108 . 1 1 12 12 TRP HE1 H 1 9.490 0.008 . 1 . . . . 12 W HE1 . 16016 1 109 . 1 1 12 12 TRP HE3 H 1 7.016 0.008 . 1 . . . . 12 W HE3 . 16016 1 110 . 1 1 12 12 TRP HH2 H 1 7.077 0.008 . 1 . . . . 12 W HH2 . 16016 1 111 . 1 1 12 12 TRP HZ2 H 1 7.456 0.008 . 1 . . . . 12 W HZ2 . 16016 1 112 . 1 1 12 12 TRP HZ3 H 1 6.706 0.008 . 1 . . . . 12 W HZ3 . 16016 1 113 . 1 1 12 12 TRP CA C 13 53.409 0.200 . 1 . . . . 12 W CA . 16016 1 114 . 1 1 12 12 TRP CB C 13 32.959 0.200 . 1 . . . . 12 W CB . 16016 1 115 . 1 1 12 12 TRP CD1 C 13 127.313 0.200 . 1 . . . . 12 W CD1 . 16016 1 116 . 1 1 12 12 TRP CE3 C 13 120.479 0.200 . 1 . . . . 12 W CE3 . 16016 1 117 . 1 1 12 12 TRP CH2 C 13 124.787 0.200 . 1 . . . . 12 W CH2 . 16016 1 118 . 1 1 12 12 TRP CZ2 C 13 113.059 0.200 . 1 . . . . 12 W CZ2 . 16016 1 119 . 1 1 12 12 TRP CZ3 C 13 121.745 0.200 . 1 . . . . 12 W CZ3 . 16016 1 120 . 1 1 12 12 TRP N N 15 115.549 0.150 . 1 . . . . 12 W N . 16016 1 121 . 1 1 12 12 TRP NE1 N 15 131.885 0.150 . 1 . . . . 12 W NE1 . 16016 1 122 . 1 1 13 13 VAL H H 1 8.757 0.008 . 1 . . . . 13 V H . 16016 1 123 . 1 1 13 13 VAL HA H 1 5.026 0.008 . 1 . . . . 13 V HA . 16016 1 124 . 1 1 13 13 VAL HB H 1 1.633 0.008 . 1 . . . . 13 V HB . 16016 1 125 . 1 1 13 13 VAL HG11 H 1 0.604 0.008 . 1 . . . . 13 V QQG . 16016 1 126 . 1 1 13 13 VAL HG12 H 1 0.604 0.008 . 1 . . . . 13 V QQG . 16016 1 127 . 1 1 13 13 VAL HG13 H 1 0.604 0.008 . 1 . . . . 13 V QQG . 16016 1 128 . 1 1 13 13 VAL HG21 H 1 0.604 0.008 . 1 . . . . 13 V QQG . 16016 1 129 . 1 1 13 13 VAL HG22 H 1 0.604 0.008 . 1 . . . . 13 V QQG . 16016 1 130 . 1 1 13 13 VAL HG23 H 1 0.604 0.008 . 1 . . . . 13 V QQG . 16016 1 131 . 1 1 13 13 VAL CA C 13 58.769 0.200 . 1 . . . . 13 V CA . 16016 1 132 . 1 1 13 13 VAL CB C 13 34.779 0.200 . 1 . . . . 13 V CB . 16016 1 133 . 1 1 13 13 VAL CG1 C 13 21.716 0.200 . 2 . . . . 13 V CG1 . 16016 1 134 . 1 1 13 13 VAL N N 15 114.348 0.150 . 1 . . . . 13 V N . 16016 1 135 . 1 1 14 14 SER H H 1 9.360 0.008 . 1 . . . . 14 S H . 16016 1 136 . 1 1 14 14 SER HA H 1 5.453 0.008 . 1 . . . . 14 S HA . 16016 1 137 . 1 1 14 14 SER HB2 H 1 3.944 0.008 . 2 . . . . 14 S HB2 . 16016 1 138 . 1 1 14 14 SER HB3 H 1 3.784 0.008 . 2 . . . . 14 S HB3 . 16016 1 139 . 1 1 14 14 SER CA C 13 56.159 0.200 . 1 . . . . 14 S CA . 16016 1 140 . 1 1 14 14 SER CB C 13 64.809 0.200 . 1 . . . . 14 S CB . 16016 1 141 . 1 1 14 14 SER N N 15 121.119 0.150 . 1 . . . . 14 S N . 16016 1 142 . 1 1 15 15 ILE H H 1 9.211 0.008 . 1 . . . . 15 I H . 16016 1 143 . 1 1 15 15 ILE HA H 1 4.781 0.008 . 1 . . . . 15 I HA . 16016 1 144 . 1 1 15 15 ILE HB H 1 1.669 0.008 . 1 . . . . 15 I HB . 16016 1 145 . 1 1 15 15 ILE HD11 H 1 0.742 0.008 . 1 . . . . 15 I QD1 . 16016 1 146 . 1 1 15 15 ILE HD12 H 1 0.742 0.008 . 1 . . . . 15 I QD1 . 16016 1 147 . 1 1 15 15 ILE HD13 H 1 0.742 0.008 . 1 . . . . 15 I QD1 . 16016 1 148 . 1 1 15 15 ILE HG12 H 1 1.342 0.008 . 2 . . . . 15 I HG12 . 16016 1 149 . 1 1 15 15 ILE HG13 H 1 0.935 0.008 . 2 . . . . 15 I HG13 . 16016 1 150 . 1 1 15 15 ILE HG21 H 1 0.785 0.008 . 1 . . . . 15 I QG2 . 16016 1 151 . 1 1 15 15 ILE HG22 H 1 0.785 0.008 . 1 . . . . 15 I QG2 . 16016 1 152 . 1 1 15 15 ILE HG23 H 1 0.785 0.008 . 1 . . . . 15 I QG2 . 16016 1 153 . 1 1 15 15 ILE CA C 13 60.519 0.200 . 1 . . . . 15 I CA . 16016 1 154 . 1 1 15 15 ILE CB C 13 40.589 0.200 . 1 . . . . 15 I CB . 16016 1 155 . 1 1 15 15 ILE CD1 C 13 15.027 0.200 . 1 . . . . 15 I CD1 . 16016 1 156 . 1 1 15 15 ILE CG1 C 13 28.655 0.200 . 1 . . . . 15 I CG1 . 16016 1 157 . 1 1 15 15 ILE CG2 C 13 18.155 0.200 . 1 . . . . 15 I CG2 . 16016 1 158 . 1 1 15 15 ILE N N 15 127.689 0.150 . 1 . . . . 15 I N . 16016 1 159 . 1 1 16 16 GLU H H 1 8.452 0.008 . 1 . . . . 16 E H . 16016 1 160 . 1 1 16 16 GLU HA H 1 4.582 0.008 . 1 . . . . 16 E HA . 16016 1 161 . 1 1 16 16 GLU HB2 H 1 1.811 0.008 . 2 . . . . 16 E HB2 . 16016 1 162 . 1 1 16 16 GLU HB3 H 1 1.963 0.008 . 2 . . . . 16 E HB3 . 16016 1 163 . 1 1 16 16 GLU HG2 H 1 2.112 0.008 . 2 . . . . 16 E QG . 16016 1 164 . 1 1 16 16 GLU HG3 H 1 2.112 0.008 . 2 . . . . 16 E QG . 16016 1 165 . 1 1 16 16 GLU CA C 13 55.979 0.200 . 1 . . . . 16 E CA . 16016 1 166 . 1 1 16 16 GLU CB C 13 31.839 0.200 . 1 . . . . 16 E CB . 16016 1 167 . 1 1 16 16 GLU CG C 13 36.349 0.200 . 1 . . . . 16 E CG . 16016 1 168 . 1 1 16 16 GLU N N 15 127.939 0.150 . 1 . . . . 16 E N . 16016 1 169 . 1 1 17 17 ASP H H 1 9.037 0.008 . 1 . . . . 17 D H . 16016 1 170 . 1 1 17 17 ASP HA H 1 4.177 0.008 . 1 . . . . 17 D HA . 16016 1 171 . 1 1 17 17 ASP HB2 H 1 2.898 0.008 . 2 . . . . 17 D HB2 . 16016 1 172 . 1 1 17 17 ASP HB3 H 1 2.815 0.008 . 2 . . . . 17 D HB3 . 16016 1 173 . 1 1 17 17 ASP CA C 13 57.069 0.200 . 1 . . . . 17 D CA . 16016 1 174 . 1 1 17 17 ASP CB C 13 39.499 0.200 . 1 . . . . 17 D CB . 16016 1 175 . 1 1 17 17 ASP N N 15 126.719 0.150 . 1 . . . . 17 D N . 16016 1 176 . 1 1 18 18 LYS H H 1 8.196 0.008 . 1 . . . . 18 K H . 16016 1 177 . 1 1 18 18 LYS HA H 1 4.168 0.008 . 1 . . . . 18 K HA . 16016 1 178 . 1 1 18 18 LYS HB2 H 1 2.178 0.008 . 2 . . . . 18 K HB2 . 16016 1 179 . 1 1 18 18 LYS HB3 H 1 1.913 0.008 . 2 . . . . 18 K HB3 . 16016 1 180 . 1 1 18 18 LYS HG2 H 1 1.415 0.008 . 2 . . . . 18 K HG2 . 16016 1 181 . 1 1 18 18 LYS HG3 H 1 1.478 0.008 . 2 . . . . 18 K HG3 . 16016 1 182 . 1 1 18 18 LYS CA C 13 56.739 0.200 . 1 . . . . 18 K CA . 16016 1 183 . 1 1 18 18 LYS CB C 13 32.349 0.200 . 1 . . . . 18 K CB . 16016 1 184 . 1 1 18 18 LYS CG C 13 25.497 0.200 . 1 . . . . 18 K CG . 16016 1 185 . 1 1 18 18 LYS N N 15 116.889 0.150 . 1 . . . . 18 K N . 16016 1 186 . 1 1 19 19 VAL H H 1 7.905 0.008 . 1 . . . . 19 V H . 16016 1 187 . 1 1 19 19 VAL HA H 1 4.748 0.008 . 1 . . . . 19 V HA . 16016 1 188 . 1 1 19 19 VAL HB H 1 2.031 0.008 . 1 . . . . 19 V HB . 16016 1 189 . 1 1 19 19 VAL HG11 H 1 0.721 0.008 . 1 . . . . 19 V QG1 . 16016 1 190 . 1 1 19 19 VAL HG12 H 1 0.721 0.008 . 1 . . . . 19 V QG1 . 16016 1 191 . 1 1 19 19 VAL HG13 H 1 0.721 0.008 . 1 . . . . 19 V QG1 . 16016 1 192 . 1 1 19 19 VAL HG21 H 1 0.919 0.008 . 1 . . . . 19 V QG2 . 16016 1 193 . 1 1 19 19 VAL HG22 H 1 0.919 0.008 . 1 . . . . 19 V QG2 . 16016 1 194 . 1 1 19 19 VAL HG23 H 1 0.919 0.008 . 1 . . . . 19 V QG2 . 16016 1 195 . 1 1 19 19 VAL CA C 13 61.739 0.200 . 1 . . . . 19 V CA . 16016 1 196 . 1 1 19 19 VAL CB C 13 33.369 0.200 . 1 . . . . 19 V CB . 16016 1 197 . 1 1 19 19 VAL CG1 C 13 21.223 0.200 . 2 . . . . 19 V CG1 . 16016 1 198 . 1 1 19 19 VAL CG2 C 13 21.593 0.200 . 2 . . . . 19 V CG2 . 16016 1 199 . 1 1 19 19 VAL N N 15 119.079 0.150 . 1 . . . . 19 V N . 16016 1 200 . 1 1 20 20 ALA H H 1 9.562 0.008 . 1 . . . . 20 A H . 16016 1 201 . 1 1 20 20 ALA HA H 1 5.306 0.008 . 1 . . . . 20 A HA . 16016 1 202 . 1 1 20 20 ALA HB1 H 1 0.973 0.008 . 1 . . . . 20 A QB . 16016 1 203 . 1 1 20 20 ALA HB2 H 1 0.973 0.008 . 1 . . . . 20 A QB . 16016 1 204 . 1 1 20 20 ALA HB3 H 1 0.973 0.008 . 1 . . . . 20 A QB . 16016 1 205 . 1 1 20 20 ALA CA C 13 49.199 0.200 . 1 . . . . 20 A CA . 16016 1 206 . 1 1 20 20 ALA CB C 13 21.179 0.200 . 1 . . . . 20 A CB . 16016 1 207 . 1 1 20 20 ALA N N 15 131.352 0.150 . 1 . . . . 20 A N . 16016 1 208 . 1 1 21 21 THR H H 1 9.379 0.008 . 1 . . . . 21 T H . 16016 1 209 . 1 1 21 21 THR HA H 1 4.423 0.008 . 1 . . . . 21 T HA . 16016 1 210 . 1 1 21 21 THR HB H 1 4.038 0.008 . 1 . . . . 21 T HB . 16016 1 211 . 1 1 21 21 THR HG21 H 1 0.934 0.008 . 1 . . . . 21 T QG2 . 16016 1 212 . 1 1 21 21 THR HG22 H 1 0.934 0.008 . 1 . . . . 21 T QG2 . 16016 1 213 . 1 1 21 21 THR HG23 H 1 0.934 0.008 . 1 . . . . 21 T QG2 . 16016 1 214 . 1 1 21 21 THR CA C 13 63.179 0.200 . 1 . . . . 21 T CA . 16016 1 215 . 1 1 21 21 THR CB C 13 69.319 0.200 . 1 . . . . 21 T CB . 16016 1 216 . 1 1 21 21 THR CG2 C 13 21.568 0.200 . 1 . . . . 21 T CG2 . 16016 1 217 . 1 1 21 21 THR N N 15 122.419 0.150 . 1 . . . . 21 T N . 16016 1 218 . 1 1 22 22 VAL H H 1 8.397 0.008 . 1 . . . . 22 V H . 16016 1 219 . 1 1 22 22 VAL HA H 1 4.289 0.008 . 1 . . . . 22 V HA . 16016 1 220 . 1 1 22 22 VAL HB H 1 0.200 0.008 . 1 . . . . 22 V HB . 16016 1 221 . 1 1 22 22 VAL HG11 H 1 0.371 0.008 . 1 . . . . 22 V QG1 . 16016 1 222 . 1 1 22 22 VAL HG12 H 1 0.371 0.008 . 1 . . . . 22 V QG1 . 16016 1 223 . 1 1 22 22 VAL HG13 H 1 0.371 0.008 . 1 . . . . 22 V QG1 . 16016 1 224 . 1 1 22 22 VAL HG21 H 1 0.369 0.008 . 1 . . . . 22 V QG2 . 16016 1 225 . 1 1 22 22 VAL HG22 H 1 0.369 0.008 . 1 . . . . 22 V QG2 . 16016 1 226 . 1 1 22 22 VAL HG23 H 1 0.369 0.008 . 1 . . . . 22 V QG2 . 16016 1 227 . 1 1 22 22 VAL CA C 13 59.749 0.200 . 1 . . . . 22 V CA . 16016 1 228 . 1 1 22 22 VAL CB C 13 33.729 0.200 . 1 . . . . 22 V CB . 16016 1 229 . 1 1 22 22 VAL CG1 C 13 20.648 0.200 . 2 . . . . 22 V CG1 . 16016 1 230 . 1 1 22 22 VAL CG2 C 13 21.331 0.200 . 2 . . . . 22 V CG2 . 16016 1 231 . 1 1 22 22 VAL N N 15 125.259 0.150 . 1 . . . . 22 V N . 16016 1 232 . 1 1 23 23 GLY H H 1 6.411 0.008 . 1 . . . . 23 G H . 16016 1 233 . 1 1 23 23 GLY HA2 H 1 3.835 0.008 . 2 . . . . 23 G HA2 . 16016 1 234 . 1 1 23 23 GLY HA3 H 1 3.655 0.008 . 2 . . . . 23 G HA3 . 16016 1 235 . 1 1 23 23 GLY CA C 13 44.399 0.200 . 1 . . . . 23 G CA . 16016 1 236 . 1 1 23 23 GLY N N 15 112.867 0.150 . 1 . . . . 23 G N . 16016 1 237 . 1 1 24 24 ILE H H 1 9.447 0.008 . 1 . . . . 24 I H . 16016 1 238 . 1 1 24 24 ILE HA H 1 5.416 0.008 . 1 . . . . 24 I HA . 16016 1 239 . 1 1 24 24 ILE HB H 1 2.220 0.008 . 1 . . . . 24 I HB . 16016 1 240 . 1 1 24 24 ILE HD11 H 1 0.723 0.008 . 1 . . . . 24 I QD1 . 16016 1 241 . 1 1 24 24 ILE HD12 H 1 0.723 0.008 . 1 . . . . 24 I QD1 . 16016 1 242 . 1 1 24 24 ILE HD13 H 1 0.723 0.008 . 1 . . . . 24 I QD1 . 16016 1 243 . 1 1 24 24 ILE HG12 H 1 1.640 0.008 . 2 . . . . 24 I HG12 . 16016 1 244 . 1 1 24 24 ILE HG13 H 1 1.199 0.008 . 2 . . . . 24 I HG13 . 16016 1 245 . 1 1 24 24 ILE HG21 H 1 0.931 0.008 . 1 . . . . 24 I QG2 . 16016 1 246 . 1 1 24 24 ILE HG22 H 1 0.931 0.008 . 1 . . . . 24 I QG2 . 16016 1 247 . 1 1 24 24 ILE HG23 H 1 0.931 0.008 . 1 . . . . 24 I QG2 . 16016 1 248 . 1 1 24 24 ILE CA C 13 59.959 0.200 . 1 . . . . 24 I CA . 16016 1 249 . 1 1 24 24 ILE CB C 13 39.429 0.200 . 1 . . . . 24 I CB . 16016 1 250 . 1 1 24 24 ILE CD1 C 13 14.451 0.200 . 1 . . . . 24 I CD1 . 16016 1 251 . 1 1 24 24 ILE CG1 C 13 25.488 0.200 . 1 . . . . 24 I CG1 . 16016 1 252 . 1 1 24 24 ILE CG2 C 13 18.727 0.200 . 1 . . . . 24 I CG2 . 16016 1 253 . 1 1 24 24 ILE N N 15 113.016 0.150 . 1 . . . . 24 I N . 16016 1 254 . 1 1 25 25 THR H H 1 7.944 0.008 . 1 . . . . 25 T H . 16016 1 255 . 1 1 25 25 THR HA H 1 4.706 0.008 . 1 . . . . 25 T HA . 16016 1 256 . 1 1 25 25 THR HB H 1 5.151 0.008 . 1 . . . . 25 T HB . 16016 1 257 . 1 1 25 25 THR HG21 H 1 1.420 0.008 . 1 . . . . 25 T QG2 . 16016 1 258 . 1 1 25 25 THR HG22 H 1 1.420 0.008 . 1 . . . . 25 T QG2 . 16016 1 259 . 1 1 25 25 THR HG23 H 1 1.420 0.008 . 1 . . . . 25 T QG2 . 16016 1 260 . 1 1 25 25 THR CA C 13 61.139 0.200 . 1 . . . . 25 T CA . 16016 1 261 . 1 1 25 25 THR CB C 13 72.059 0.200 . 1 . . . . 25 T CB . 16016 1 262 . 1 1 25 25 THR CG2 C 13 23.368 0.200 . 1 . . . . 25 T CG2 . 16016 1 263 . 1 1 25 25 THR N N 15 108.109 0.150 . 1 . . . . 25 T N . 16016 1 264 . 1 1 26 26 ASN H H 1 9.979 0.008 . 1 . . . . 26 N H . 16016 1 265 . 1 1 26 26 ASN HA H 1 4.696 0.008 . 1 . . . . 26 N HA . 16016 1 266 . 1 1 26 26 ASN HB2 H 1 2.974 0.008 . 2 . . . . 26 N HB2 . 16016 1 267 . 1 1 26 26 ASN HB3 H 1 2.874 0.008 . 2 . . . . 26 N HB3 . 16016 1 268 . 1 1 26 26 ASN HD21 H 1 7.672 0.008 . 2 . . . . 26 N HD21 . 16016 1 269 . 1 1 26 26 ASN HD22 H 1 6.946 0.008 . 2 . . . . 26 N HD22 . 16016 1 270 . 1 1 26 26 ASN CA C 13 57.219 0.200 . 1 . . . . 26 N CA . 16016 1 271 . 1 1 26 26 ASN CB C 13 38.739 0.200 . 1 . . . . 26 N CB . 16016 1 272 . 1 1 26 26 ASN N N 15 118.789 0.150 . 1 . . . . 26 N N . 16016 1 273 . 1 1 26 26 ASN ND2 N 15 114.234 0.150 . 1 . . . . 26 N ND2 . 16016 1 274 . 1 1 27 27 HIS H H 1 8.776 0.008 . 1 . . . . 27 H H . 16016 1 275 . 1 1 27 27 HIS HA H 1 4.262 0.008 . 1 . . . . 27 H HA . 16016 1 276 . 1 1 27 27 HIS HB2 H 1 3.420 0.008 . 2 . . . . 27 H HB2 . 16016 1 277 . 1 1 27 27 HIS HB3 H 1 3.157 0.008 . 2 . . . . 27 H HB3 . 16016 1 278 . 1 1 27 27 HIS HD2 H 1 6.151 0.008 . 1 . . . . 27 H HD2 . 16016 1 279 . 1 1 27 27 HIS HE1 H 1 8.378 0.008 . 1 . . . . 27 H HE1 . 16016 1 280 . 1 1 27 27 HIS CA C 13 59.259 0.200 . 1 . . . . 27 H CA . 16016 1 281 . 1 1 27 27 HIS CB C 13 29.060 0.200 . 1 . . . . 27 H CB . 16016 1 282 . 1 1 27 27 HIS CD2 C 13 119.288 0.200 . 1 . . . . 27 H CD2 . 16016 1 283 . 1 1 27 27 HIS CE1 C 13 137.133 0.200 . 1 . . . . 27 H CE1 . 16016 1 284 . 1 1 27 27 HIS N N 15 116.869 0.150 . 1 . . . . 27 H N . 16016 1 285 . 1 1 28 28 ALA H H 1 7.691 0.008 . 1 . . . . 28 A H . 16016 1 286 . 1 1 28 28 ALA HA H 1 4.012 0.008 . 1 . . . . 28 A HA . 16016 1 287 . 1 1 28 28 ALA HB1 H 1 1.876 0.008 . 1 . . . . 28 A QB . 16016 1 288 . 1 1 28 28 ALA HB2 H 1 1.876 0.008 . 1 . . . . 28 A QB . 16016 1 289 . 1 1 28 28 ALA HB3 H 1 1.876 0.008 . 1 . . . . 28 A QB . 16016 1 290 . 1 1 28 28 ALA CA C 13 54.849 0.200 . 1 . . . . 28 A CA . 16016 1 291 . 1 1 28 28 ALA CB C 13 19.559 0.200 . 1 . . . . 28 A CB . 16016 1 292 . 1 1 28 28 ALA N N 15 120.102 0.150 . 1 . . . . 28 A N . 16016 1 293 . 1 1 29 29 GLN H H 1 8.400 0.008 . 1 . . . . 29 Q H . 16016 1 294 . 1 1 29 29 GLN HA H 1 3.976 0.008 . 1 . . . . 29 Q HA . 16016 1 295 . 1 1 29 29 GLN HB2 H 1 2.402 0.008 . 2 . . . . 29 Q HB2 . 16016 1 296 . 1 1 29 29 GLN HB3 H 1 1.949 0.008 . 2 . . . . 29 Q HB3 . 16016 1 297 . 1 1 29 29 GLN HE21 H 1 7.334 0.008 . 2 . . . . 29 Q HE21 . 16016 1 298 . 1 1 29 29 GLN HE22 H 1 6.849 0.008 . 2 . . . . 29 Q HE22 . 16016 1 299 . 1 1 29 29 GLN HG2 H 1 3.471 0.008 . 2 . . . . 29 Q HG2 . 16016 1 300 . 1 1 29 29 GLN HG3 H 1 2.694 0.008 . 2 . . . . 29 Q HG3 . 16016 1 301 . 1 1 29 29 GLN CA C 13 59.189 0.200 . 1 . . . . 29 Q CA . 16016 1 302 . 1 1 29 29 GLN CB C 13 26.439 0.200 . 1 . . . . 29 Q CB . 16016 1 303 . 1 1 29 29 GLN CG C 13 32.692 0.200 . 1 . . . . 29 Q CG . 16016 1 304 . 1 1 29 29 GLN N N 15 117.229 0.150 . 1 . . . . 29 Q N . 16016 1 305 . 1 1 29 29 GLN NE2 N 15 109.847 0.150 . 1 . . . . 29 Q NE2 . 16016 1 306 . 1 1 30 30 GLU H H 1 7.844 0.008 . 1 . . . . 30 E H . 16016 1 307 . 1 1 30 30 GLU HA H 1 3.755 0.008 . 1 . . . . 30 E HA . 16016 1 308 . 1 1 30 30 GLU HB2 H 1 2.071 0.008 . 2 . . . . 30 E HB2 . 16016 1 309 . 1 1 30 30 GLU HB3 H 1 1.935 0.008 . 2 . . . . 30 E HB3 . 16016 1 310 . 1 1 30 30 GLU HG2 H 1 2.414 0.008 . 2 . . . . 30 E HG2 . 16016 1 311 . 1 1 30 30 GLU HG3 H 1 2.194 0.008 . 2 . . . . 30 E HG3 . 16016 1 312 . 1 1 30 30 GLU CA C 13 58.999 0.200 . 1 . . . . 30 E CA . 16016 1 313 . 1 1 30 30 GLU CB C 13 29.559 0.200 . 1 . . . . 30 E CB . 16016 1 314 . 1 1 30 30 GLU CG C 13 36.417 0.200 . 1 . . . . 30 E CG . 16016 1 315 . 1 1 30 30 GLU N N 15 120.379 0.150 . 1 . . . . 30 E N . 16016 1 316 . 1 1 31 31 GLN H H 1 7.109 0.008 . 1 . . . . 31 Q H . 16016 1 317 . 1 1 31 31 GLN HA H 1 4.008 0.008 . 1 . . . . 31 Q HA . 16016 1 318 . 1 1 31 31 GLN HB2 H 1 1.897 0.008 . 2 . . . . 31 Q HB2 . 16016 1 319 . 1 1 31 31 GLN HB3 H 1 2.053 0.008 . 2 . . . . 31 Q HB3 . 16016 1 320 . 1 1 31 31 GLN HE21 H 1 7.108 0.008 . 2 . . . . 31 Q HE21 . 16016 1 321 . 1 1 31 31 GLN HE22 H 1 6.648 0.008 . 2 . . . . 31 Q HE22 . 16016 1 322 . 1 1 31 31 GLN HG3 H 1 2.140 0.008 . 2 . . . . 31 Q HG3 . 16016 1 323 . 1 1 31 31 GLN CA C 13 56.709 0.200 . 1 . . . . 31 Q CA . 16016 1 324 . 1 1 31 31 GLN CB C 13 28.749 0.200 . 1 . . . . 31 Q CB . 16016 1 325 . 1 1 31 31 GLN CG C 13 33.318 0.200 . 1 . . . . 31 Q CG . 16016 1 326 . 1 1 31 31 GLN N N 15 114.679 0.150 . 1 . . . . 31 Q N . 16016 1 327 . 1 1 31 31 GLN NE2 N 15 111.943 0.150 . 1 . . . . 31 Q NE2 . 16016 1 328 . 1 1 32 32 LEU H H 1 7.504 0.008 . 1 . . . . 32 L H . 16016 1 329 . 1 1 32 32 LEU HA H 1 4.004 0.008 . 1 . . . . 32 L HA . 16016 1 330 . 1 1 32 32 LEU HB2 H 1 1.842 0.008 . 2 . . . . 32 L HB2 . 16016 1 331 . 1 1 32 32 LEU HB3 H 1 1.422 0.008 . 2 . . . . 32 L HB3 . 16016 1 332 . 1 1 32 32 LEU HD11 H 1 0.707 0.008 . 1 . . . . 32 L QD1 . 16016 1 333 . 1 1 32 32 LEU HD12 H 1 0.707 0.008 . 1 . . . . 32 L QD1 . 16016 1 334 . 1 1 32 32 LEU HD13 H 1 0.707 0.008 . 1 . . . . 32 L QD1 . 16016 1 335 . 1 1 32 32 LEU HD21 H 1 0.700 0.008 . 1 . . . . 32 L QD2 . 16016 1 336 . 1 1 32 32 LEU HD22 H 1 0.700 0.008 . 1 . . . . 32 L QD2 . 16016 1 337 . 1 1 32 32 LEU HD23 H 1 0.700 0.008 . 1 . . . . 32 L QD2 . 16016 1 338 . 1 1 32 32 LEU HG H 1 1.698 0.008 . 1 . . . . 32 L HG . 16016 1 339 . 1 1 32 32 LEU CA C 13 56.959 0.200 . 1 . . . . 32 L CA . 16016 1 340 . 1 1 32 32 LEU CB C 13 43.629 0.200 . 1 . . . . 32 L CB . 16016 1 341 . 1 1 32 32 LEU CD1 C 13 23.746 0.200 . 2 . . . . 32 L CD1 . 16016 1 342 . 1 1 32 32 LEU CD2 C 13 24.999 0.200 . 2 . . . . 32 L CD2 . 16016 1 343 . 1 1 32 32 LEU CG C 13 26.599 0.200 . 1 . . . . 32 L CG . 16016 1 344 . 1 1 32 32 LEU N N 15 119.359 0.150 . 1 . . . . 32 L N . 16016 1 345 . 1 1 33 33 GLY H H 1 7.638 0.008 . 1 . . . . 33 G H . 16016 1 346 . 1 1 33 33 GLY HA2 H 1 4.106 0.008 . 2 . . . . 33 G HA2 . 16016 1 347 . 1 1 33 33 GLY HA3 H 1 3.732 0.008 . 2 . . . . 33 G HA3 . 16016 1 348 . 1 1 33 33 GLY CA C 13 44.049 0.200 . 1 . . . . 33 G CA . 16016 1 349 . 1 1 33 33 GLY N N 15 105.729 0.150 . 1 . . . . 33 G N . 16016 1 350 . 1 1 34 34 ASP H H 1 7.785 0.008 . 1 . . . . 34 D H . 16016 1 351 . 1 1 34 34 ASP HA H 1 4.332 0.008 . 1 . . . . 34 D HA . 16016 1 352 . 1 1 34 34 ASP HB2 H 1 2.558 0.008 . 2 . . . . 34 D HB2 . 16016 1 353 . 1 1 34 34 ASP HB3 H 1 2.518 0.008 . 2 . . . . 34 D HB3 . 16016 1 354 . 1 1 34 34 ASP CA C 13 55.649 0.200 . 1 . . . . 34 D CA . 16016 1 355 . 1 1 34 34 ASP CB C 13 40.679 0.200 . 1 . . . . 34 D CB . 16016 1 356 . 1 1 34 34 ASP N N 15 117.589 0.150 . 1 . . . . 34 D N . 16016 1 357 . 1 1 35 35 VAL H H 1 9.294 0.008 . 1 . . . . 35 V H . 16016 1 358 . 1 1 35 35 VAL HA H 1 3.613 0.008 . 1 . . . . 35 V HA . 16016 1 359 . 1 1 35 35 VAL HB H 1 1.823 0.008 . 1 . . . . 35 V HB . 16016 1 360 . 1 1 35 35 VAL HG11 H 1 0.826 0.008 . 1 . . . . 35 V QG1 . 16016 1 361 . 1 1 35 35 VAL HG12 H 1 0.826 0.008 . 1 . . . . 35 V QG1 . 16016 1 362 . 1 1 35 35 VAL HG13 H 1 0.826 0.008 . 1 . . . . 35 V QG1 . 16016 1 363 . 1 1 35 35 VAL HG21 H 1 0.947 0.008 . 1 . . . . 35 V QG2 . 16016 1 364 . 1 1 35 35 VAL HG22 H 1 0.947 0.008 . 1 . . . . 35 V QG2 . 16016 1 365 . 1 1 35 35 VAL HG23 H 1 0.947 0.008 . 1 . . . . 35 V QG2 . 16016 1 366 . 1 1 35 35 VAL CA C 13 65.099 0.200 . 1 . . . . 35 V CA . 16016 1 367 . 1 1 35 35 VAL CB C 13 32.259 0.200 . 1 . . . . 35 V CB . 16016 1 368 . 1 1 35 35 VAL CG1 C 13 23.334 0.200 . 2 . . . . 35 V CG1 . 16016 1 369 . 1 1 35 35 VAL CG2 C 13 22.887 0.200 . 2 . . . . 35 V CG2 . 16016 1 370 . 1 1 35 35 VAL N N 15 126.589 0.150 . 1 . . . . 35 V N . 16016 1 371 . 1 1 36 36 VAL H H 1 8.892 0.008 . 1 . . . . 36 V H . 16016 1 372 . 1 1 36 36 VAL HA H 1 4.415 0.008 . 1 . . . . 36 V HA . 16016 1 373 . 1 1 36 36 VAL HB H 1 2.085 0.008 . 1 . . . . 36 V HB . 16016 1 374 . 1 1 36 36 VAL HG11 H 1 0.870 0.008 . 1 . . . . 36 V QG1 . 16016 1 375 . 1 1 36 36 VAL HG12 H 1 0.870 0.008 . 1 . . . . 36 V QG1 . 16016 1 376 . 1 1 36 36 VAL HG13 H 1 0.870 0.008 . 1 . . . . 36 V QG1 . 16016 1 377 . 1 1 36 36 VAL HG21 H 1 0.751 0.008 . 1 . . . . 36 V QG2 . 16016 1 378 . 1 1 36 36 VAL HG22 H 1 0.751 0.008 . 1 . . . . 36 V QG2 . 16016 1 379 . 1 1 36 36 VAL HG23 H 1 0.751 0.008 . 1 . . . . 36 V QG2 . 16016 1 380 . 1 1 36 36 VAL CA C 13 61.679 0.200 . 1 . . . . 36 V CA . 16016 1 381 . 1 1 36 36 VAL CB C 13 33.689 0.200 . 1 . . . . 36 V CB . 16016 1 382 . 1 1 36 36 VAL CG1 C 13 21.572 0.200 . 2 . . . . 36 V CG1 . 16016 1 383 . 1 1 36 36 VAL CG2 C 13 19.316 0.200 . 2 . . . . 36 V CG2 . 16016 1 384 . 1 1 36 36 VAL N N 15 119.921 0.150 . 1 . . . . 36 V N . 16016 1 385 . 1 1 37 37 TYR H H 1 7.896 0.008 . 1 . . . . 37 Y H . 16016 1 386 . 1 1 37 37 TYR HA H 1 4.721 0.008 . 1 . . . . 37 Y HA . 16016 1 387 . 1 1 37 37 TYR HB2 H 1 3.250 0.008 . 2 . . . . 37 Y HB2 . 16016 1 388 . 1 1 37 37 TYR HB3 H 1 2.669 0.008 . 2 . . . . 37 Y HB3 . 16016 1 389 . 1 1 37 37 TYR HD1 H 1 7.020 0.008 . 3 . . . . 37 Y QD . 16016 1 390 . 1 1 37 37 TYR HD2 H 1 7.020 0.008 . 3 . . . . 37 Y QD . 16016 1 391 . 1 1 37 37 TYR HE1 H 1 6.795 0.008 . 3 . . . . 37 Y QE . 16016 1 392 . 1 1 37 37 TYR HE2 H 1 6.795 0.008 . 3 . . . . 37 Y QE . 16016 1 393 . 1 1 37 37 TYR CA C 13 58.659 0.200 . 1 . . . . 37 Y CA . 16016 1 394 . 1 1 37 37 TYR CB C 13 41.479 0.200 . 1 . . . . 37 Y CB . 16016 1 395 . 1 1 37 37 TYR CD1 C 13 132.940 0.200 . 3 . . . . 37 Y CD1 . 16016 1 396 . 1 1 37 37 TYR CE1 C 13 118.468 0.200 . 3 . . . . 37 Y CE1 . 16016 1 397 . 1 1 37 37 TYR N N 15 120.419 0.150 . 1 . . . . 37 Y N . 16016 1 398 . 1 1 38 38 VAL H H 1 7.672 0.008 . 1 . . . . 38 V H . 16016 1 399 . 1 1 38 38 VAL HA H 1 4.465 0.008 . 1 . . . . 38 V HA . 16016 1 400 . 1 1 38 38 VAL HB H 1 1.697 0.008 . 1 . . . . 38 V HB . 16016 1 401 . 1 1 38 38 VAL HG11 H 1 0.804 0.008 . 1 . . . . 38 V QG1 . 16016 1 402 . 1 1 38 38 VAL HG12 H 1 0.804 0.008 . 1 . . . . 38 V QG1 . 16016 1 403 . 1 1 38 38 VAL HG13 H 1 0.804 0.008 . 1 . . . . 38 V QG1 . 16016 1 404 . 1 1 38 38 VAL HG21 H 1 0.768 0.008 . 1 . . . . 38 V QG2 . 16016 1 405 . 1 1 38 38 VAL HG22 H 1 0.768 0.008 . 1 . . . . 38 V QG2 . 16016 1 406 . 1 1 38 38 VAL HG23 H 1 0.768 0.008 . 1 . . . . 38 V QG2 . 16016 1 407 . 1 1 38 38 VAL CA C 13 60.139 0.200 . 1 . . . . 38 V CA . 16016 1 408 . 1 1 38 38 VAL CB C 13 34.439 0.200 . 1 . . . . 38 V CB . 16016 1 409 . 1 1 38 38 VAL CG1 C 13 21.812 0.200 . 2 . . . . 38 V CG1 . 16016 1 410 . 1 1 38 38 VAL CG2 C 13 21.083 0.200 . 2 . . . . 38 V CG2 . 16016 1 411 . 1 1 38 38 VAL N N 15 124.589 0.150 . 1 . . . . 38 V N . 16016 1 412 . 1 1 39 39 ASP H H 1 8.713 0.008 . 1 . . . . 39 D H . 16016 1 413 . 1 1 39 39 ASP HA H 1 4.716 0.008 . 1 . . . . 39 D HA . 16016 1 414 . 1 1 39 39 ASP HB2 H 1 2.534 0.008 . 2 . . . . 39 D HB2 . 16016 1 415 . 1 1 39 39 ASP HB3 H 1 2.852 0.008 . 2 . . . . 39 D HB3 . 16016 1 416 . 1 1 39 39 ASP CA C 13 52.729 0.200 . 1 . . . . 39 D CA . 16016 1 417 . 1 1 39 39 ASP CB C 13 42.139 0.200 . 1 . . . . 39 D CB . 16016 1 418 . 1 1 39 39 ASP N N 15 127.249 0.150 . 1 . . . . 39 D N . 16016 1 419 . 1 1 40 40 LEU H H 1 8.068 0.008 . 1 . . . . 40 L H . 16016 1 420 . 1 1 40 40 LEU HA H 1 4.505 0.008 . 1 . . . . 40 L HA . 16016 1 421 . 1 1 40 40 LEU HB2 H 1 1.767 0.008 . 2 . . . . 40 L HB2 . 16016 1 422 . 1 1 40 40 LEU HB3 H 1 1.341 0.008 . 2 . . . . 40 L HB3 . 16016 1 423 . 1 1 40 40 LEU HD11 H 1 0.877 0.008 . 1 . . . . 40 L QD1 . 16016 1 424 . 1 1 40 40 LEU HD12 H 1 0.877 0.008 . 1 . . . . 40 L QD1 . 16016 1 425 . 1 1 40 40 LEU HD13 H 1 0.877 0.008 . 1 . . . . 40 L QD1 . 16016 1 426 . 1 1 40 40 LEU HD21 H 1 0.901 0.008 . 1 . . . . 40 L QD2 . 16016 1 427 . 1 1 40 40 LEU HD22 H 1 0.901 0.008 . 1 . . . . 40 L QD2 . 16016 1 428 . 1 1 40 40 LEU HD23 H 1 0.901 0.008 . 1 . . . . 40 L QD2 . 16016 1 429 . 1 1 40 40 LEU HG H 1 1.573 0.008 . 1 . . . . 40 L HG . 16016 1 430 . 1 1 40 40 LEU CA C 13 52.543 0.200 . 1 . . . . 40 L CA . 16016 1 431 . 1 1 40 40 LEU CB C 13 42.359 0.200 . 1 . . . . 40 L CB . 16016 1 432 . 1 1 40 40 LEU CD1 C 13 25.515 0.200 . 2 . . . . 40 L CD1 . 16016 1 433 . 1 1 40 40 LEU CD2 C 13 23.718 0.200 . 2 . . . . 40 L CD2 . 16016 1 434 . 1 1 40 40 LEU CG C 13 26.943 0.200 . 1 . . . . 40 L CG . 16016 1 435 . 1 1 40 40 LEU N N 15 124.069 0.150 . 1 . . . . 40 L N . 16016 1 436 . 1 1 41 41 PRO HA H 1 4.521 0.008 . 1 . . . . 41 P HA . 16016 1 437 . 1 1 41 41 PRO HB2 H 1 2.300 0.008 . 2 . . . . 41 P HB2 . 16016 1 438 . 1 1 41 41 PRO HB3 H 1 1.579 0.008 . 2 . . . . 41 P HB3 . 16016 1 439 . 1 1 41 41 PRO HD2 H 1 3.588 0.008 . 2 . . . . 41 P HD2 . 16016 1 440 . 1 1 41 41 PRO HD3 H 1 3.373 0.008 . 2 . . . . 41 P HD3 . 16016 1 441 . 1 1 41 41 PRO HG2 H 1 1.430 0.008 . 2 . . . . 41 P HG2 . 16016 1 442 . 1 1 41 41 PRO HG3 H 1 1.026 0.008 . 2 . . . . 41 P HG3 . 16016 1 443 . 1 1 41 41 PRO CA C 13 61.699 0.200 . 1 . . . . 41 P CA . 16016 1 444 . 1 1 41 41 PRO CB C 13 31.819 0.200 . 1 . . . . 41 P CB . 16016 1 445 . 1 1 41 41 PRO CD C 13 48.649 0.200 . 1 . . . . 41 P CD . 16016 1 446 . 1 1 41 41 PRO CG C 13 26.460 0.200 . 1 . . . . 41 P CG . 16016 1 447 . 1 1 42 42 GLU H H 1 7.924 0.008 . 1 . . . . 42 E H . 16016 1 448 . 1 1 42 42 GLU HA H 1 4.180 0.008 . 1 . . . . 42 E HA . 16016 1 449 . 1 1 42 42 GLU HB2 H 1 1.892 0.008 . 2 . . . . 42 E HB2 . 16016 1 450 . 1 1 42 42 GLU HB3 H 1 1.842 0.008 . 2 . . . . 42 E HB3 . 16016 1 451 . 1 1 42 42 GLU HG2 H 1 2.252 0.008 . 2 . . . . 42 E HG2 . 16016 1 452 . 1 1 42 42 GLU HG3 H 1 2.306 0.008 . 2 . . . . 42 E HG3 . 16016 1 453 . 1 1 42 42 GLU CA C 13 55.579 0.200 . 1 . . . . 42 E CA . 16016 1 454 . 1 1 42 42 GLU CB C 13 30.739 0.200 . 1 . . . . 42 E CB . 16016 1 455 . 1 1 42 42 GLU CG C 13 36.081 0.200 . 1 . . . . 42 E CG . 16016 1 456 . 1 1 42 42 GLU N N 15 117.659 0.150 . 1 . . . . 42 E N . 16016 1 457 . 1 1 43 43 VAL H H 1 8.234 0.008 . 1 . . . . 43 V H . 16016 1 458 . 1 1 43 43 VAL HA H 1 3.255 0.008 . 1 . . . . 43 V HA . 16016 1 459 . 1 1 43 43 VAL HB H 1 1.930 0.008 . 1 . . . . 43 V HB . 16016 1 460 . 1 1 43 43 VAL HG11 H 1 0.913 0.008 . 1 . . . . 43 V QG1 . 16016 1 461 . 1 1 43 43 VAL HG12 H 1 0.913 0.008 . 1 . . . . 43 V QG1 . 16016 1 462 . 1 1 43 43 VAL HG13 H 1 0.913 0.008 . 1 . . . . 43 V QG1 . 16016 1 463 . 1 1 43 43 VAL HG21 H 1 1.022 0.008 . 1 . . . . 43 V QG2 . 16016 1 464 . 1 1 43 43 VAL HG22 H 1 1.022 0.008 . 1 . . . . 43 V QG2 . 16016 1 465 . 1 1 43 43 VAL HG23 H 1 1.022 0.008 . 1 . . . . 43 V QG2 . 16016 1 466 . 1 1 43 43 VAL CA C 13 65.559 0.200 . 1 . . . . 43 V CA . 16016 1 467 . 1 1 43 43 VAL CB C 13 31.269 0.200 . 1 . . . . 43 V CB . 16016 1 468 . 1 1 43 43 VAL CG1 C 13 21.742 0.200 . 2 . . . . 43 V CG1 . 16016 1 469 . 1 1 43 43 VAL CG2 C 13 23.262 0.200 . 2 . . . . 43 V CG2 . 16016 1 470 . 1 1 43 43 VAL N N 15 122.769 0.150 . 1 . . . . 43 V N . 16016 1 471 . 1 1 44 44 GLY H H 1 8.718 0.008 . 1 . . . . 44 G H . 16016 1 472 . 1 1 44 44 GLY HA2 H 1 3.507 0.008 . 2 . . . . 44 G HA2 . 16016 1 473 . 1 1 44 44 GLY HA3 H 1 4.445 0.008 . 2 . . . . 44 G HA3 . 16016 1 474 . 1 1 44 44 GLY CA C 13 44.509 0.200 . 1 . . . . 44 G CA . 16016 1 475 . 1 1 44 44 GLY N N 15 116.049 0.150 . 1 . . . . 44 G N . 16016 1 476 . 1 1 45 45 ARG H H 1 7.402 0.008 . 1 . . . . 45 R H . 16016 1 477 . 1 1 45 45 ARG HA H 1 4.134 0.008 . 1 . . . . 45 R HA . 16016 1 478 . 1 1 45 45 ARG HB2 H 1 1.874 0.008 . 2 . . . . 45 R HB2 . 16016 1 479 . 1 1 45 45 ARG HB3 H 1 1.676 0.008 . 2 . . . . 45 R HB3 . 16016 1 480 . 1 1 45 45 ARG HD2 H 1 2.822 0.008 . 2 . . . . 45 R HD2 . 16016 1 481 . 1 1 45 45 ARG HD3 H 1 3.274 0.008 . 2 . . . . 45 R HD3 . 16016 1 482 . 1 1 45 45 ARG HE H 1 7.660 0.008 . 1 . . . . 45 R HE . 16016 1 483 . 1 1 45 45 ARG HG2 H 1 1.420 0.008 . 2 . . . . 45 R HG2 . 16016 1 484 . 1 1 45 45 ARG HG3 H 1 1.737 0.008 . 2 . . . . 45 R HG3 . 16016 1 485 . 1 1 45 45 ARG CA C 13 56.859 0.200 . 1 . . . . 45 R CA . 16016 1 486 . 1 1 45 45 ARG CB C 13 31.879 0.200 . 1 . . . . 45 R CB . 16016 1 487 . 1 1 45 45 ARG CD C 13 44.547 0.200 . 1 . . . . 45 R CD . 16016 1 488 . 1 1 45 45 ARG CG C 13 26.405 0.200 . 1 . . . . 45 R CG . 16016 1 489 . 1 1 45 45 ARG N N 15 121.299 0.150 . 1 . . . . 45 R N . 16016 1 490 . 1 1 45 45 ARG NE N 15 85.146 0.150 . 1 . . . . 45 R NE . 16016 1 491 . 1 1 46 46 GLU H H 1 8.685 0.008 . 1 . . . . 46 E H . 16016 1 492 . 1 1 46 46 GLU HA H 1 4.852 0.008 . 1 . . . . 46 E HA . 16016 1 493 . 1 1 46 46 GLU HB2 H 1 2.019 0.008 . 2 . . . . 46 E HB2 . 16016 1 494 . 1 1 46 46 GLU HB3 H 1 1.946 0.008 . 2 . . . . 46 E HB3 . 16016 1 495 . 1 1 46 46 GLU HG2 H 1 2.106 0.008 . 2 . . . . 46 E HG2 . 16016 1 496 . 1 1 46 46 GLU HG3 H 1 2.340 0.008 . 2 . . . . 46 E HG3 . 16016 1 497 . 1 1 46 46 GLU CA C 13 55.909 0.200 . 1 . . . . 46 E CA . 16016 1 498 . 1 1 46 46 GLU CB C 13 30.049 0.200 . 1 . . . . 46 E CB . 16016 1 499 . 1 1 46 46 GLU CG C 13 36.516 0.200 . 1 . . . . 46 E CG . 16016 1 500 . 1 1 46 46 GLU N N 15 127.676 0.150 . 1 . . . . 46 E N . 16016 1 501 . 1 1 47 47 VAL H H 1 9.202 0.008 . 1 . . . . 47 V H . 16016 1 502 . 1 1 47 47 VAL HA H 1 4.923 0.008 . 1 . . . . 47 V HA . 16016 1 503 . 1 1 47 47 VAL HB H 1 1.866 0.008 . 1 . . . . 47 V HB . 16016 1 504 . 1 1 47 47 VAL HG11 H 1 0.682 0.008 . 1 . . . . 47 V QG1 . 16016 1 505 . 1 1 47 47 VAL HG12 H 1 0.682 0.008 . 1 . . . . 47 V QG1 . 16016 1 506 . 1 1 47 47 VAL HG13 H 1 0.682 0.008 . 1 . . . . 47 V QG1 . 16016 1 507 . 1 1 47 47 VAL HG21 H 1 0.695 0.008 . 1 . . . . 47 V QG2 . 16016 1 508 . 1 1 47 47 VAL HG22 H 1 0.695 0.008 . 1 . . . . 47 V QG2 . 16016 1 509 . 1 1 47 47 VAL HG23 H 1 0.695 0.008 . 1 . . . . 47 V QG2 . 16016 1 510 . 1 1 47 47 VAL CA C 13 58.509 0.200 . 1 . . . . 47 V CA . 16016 1 511 . 1 1 47 47 VAL CB C 13 34.989 0.200 . 1 . . . . 47 V CB . 16016 1 512 . 1 1 47 47 VAL CG1 C 13 22.140 0.200 . 2 . . . . 47 V CG1 . 16016 1 513 . 1 1 47 47 VAL CG2 C 13 18.922 0.200 . 2 . . . . 47 V CG2 . 16016 1 514 . 1 1 47 47 VAL N N 15 118.169 0.150 . 1 . . . . 47 V N . 16016 1 515 . 1 1 48 48 LYS H H 1 8.865 0.008 . 1 . . . . 48 K H . 16016 1 516 . 1 1 48 48 LYS HA H 1 4.610 0.008 . 1 . . . . 48 K HA . 16016 1 517 . 1 1 48 48 LYS HB2 H 1 1.636 0.008 . 2 . . . . 48 K HB2 . 16016 1 518 . 1 1 48 48 LYS HB3 H 1 1.785 0.008 . 2 . . . . 48 K HB3 . 16016 1 519 . 1 1 48 48 LYS HG2 H 1 1.358 0.008 . 2 . . . . 48 K HG2 . 16016 1 520 . 1 1 48 48 LYS HG3 H 1 1.474 0.008 . 2 . . . . 48 K HG3 . 16016 1 521 . 1 1 48 48 LYS CA C 13 53.569 0.200 . 1 . . . . 48 K CA . 16016 1 522 . 1 1 48 48 LYS CB C 13 34.639 0.200 . 1 . . . . 48 K CB . 16016 1 523 . 1 1 48 48 LYS CG C 13 24.643 0.200 . 1 . . . . 48 K CG . 16016 1 524 . 1 1 48 48 LYS N N 15 124.199 0.150 . 1 . . . . 48 K N . 16016 1 525 . 1 1 49 49 LYS H H 1 8.033 0.008 . 1 . . . . 49 K H . 16016 1 526 . 1 1 49 49 LYS HA H 1 3.302 0.008 . 1 . . . . 49 K HA . 16016 1 527 . 1 1 49 49 LYS HB2 H 1 1.541 0.008 . 2 . . . . 49 K HB2 . 16016 1 528 . 1 1 49 49 LYS CA C 13 58.419 0.200 . 1 . . . . 49 K CA . 16016 1 529 . 1 1 49 49 LYS CB C 13 32.799 0.200 . 1 . . . . 49 K CB . 16016 1 530 . 1 1 49 49 LYS N N 15 122.720 0.150 . 1 . . . . 49 K N . 16016 1 531 . 1 1 50 50 GLY H H 1 9.223 0.008 . 1 . . . . 50 G H . 16016 1 532 . 1 1 50 50 GLY HA2 H 1 3.554 0.008 . 2 . . . . 50 G HA2 . 16016 1 533 . 1 1 50 50 GLY HA3 H 1 4.398 0.008 . 2 . . . . 50 G HA3 . 16016 1 534 . 1 1 50 50 GLY CA C 13 45.019 0.200 . 1 . . . . 50 G CA . 16016 1 535 . 1 1 50 50 GLY N N 15 115.188 0.150 . 1 . . . . 50 G N . 16016 1 536 . 1 1 51 51 GLU H H 1 8.239 0.008 . 1 . . . . 51 E H . 16016 1 537 . 1 1 51 51 GLU HA H 1 4.380 0.008 . 1 . . . . 51 E HA . 16016 1 538 . 1 1 51 51 GLU HB2 H 1 2.236 0.008 . 2 . . . . 51 E HB2 . 16016 1 539 . 1 1 51 51 GLU HB3 H 1 1.984 0.008 . 2 . . . . 51 E HB3 . 16016 1 540 . 1 1 51 51 GLU HG2 H 1 2.291 0.008 . 2 . . . . 51 E QG . 16016 1 541 . 1 1 51 51 GLU HG3 H 1 2.291 0.008 . 2 . . . . 51 E QG . 16016 1 542 . 1 1 51 51 GLU CA C 13 56.429 0.200 . 1 . . . . 51 E CA . 16016 1 543 . 1 1 51 51 GLU CB C 13 31.869 0.200 . 1 . . . . 51 E CB . 16016 1 544 . 1 1 51 51 GLU CG C 13 36.484 0.200 . 1 . . . . 51 E CG . 16016 1 545 . 1 1 51 51 GLU N N 15 121.679 0.150 . 1 . . . . 51 E N . 16016 1 546 . 1 1 52 52 VAL H H 1 8.791 0.008 . 1 . . . . 52 V H . 16016 1 547 . 1 1 52 52 VAL HA H 1 3.842 0.008 . 1 . . . . 52 V HA . 16016 1 548 . 1 1 52 52 VAL HB H 1 1.934 0.008 . 1 . . . . 52 V HB . 16016 1 549 . 1 1 52 52 VAL HG11 H 1 0.877 0.008 . 1 . . . . 52 V QG1 . 16016 1 550 . 1 1 52 52 VAL HG12 H 1 0.877 0.008 . 1 . . . . 52 V QG1 . 16016 1 551 . 1 1 52 52 VAL HG13 H 1 0.877 0.008 . 1 . . . . 52 V QG1 . 16016 1 552 . 1 1 52 52 VAL HG21 H 1 0.765 0.008 . 1 . . . . 52 V QG2 . 16016 1 553 . 1 1 52 52 VAL HG22 H 1 0.765 0.008 . 1 . . . . 52 V QG2 . 16016 1 554 . 1 1 52 52 VAL HG23 H 1 0.765 0.008 . 1 . . . . 52 V QG2 . 16016 1 555 . 1 1 52 52 VAL CA C 13 64.999 0.200 . 1 . . . . 52 V CA . 16016 1 556 . 1 1 52 52 VAL CB C 13 31.219 0.200 . 1 . . . . 52 V CB . 16016 1 557 . 1 1 52 52 VAL CG1 C 13 22.736 0.200 . 2 . . . . 52 V CG1 . 16016 1 558 . 1 1 52 52 VAL CG2 C 13 21.190 0.200 . 2 . . . . 52 V CG2 . 16016 1 559 . 1 1 52 52 VAL N N 15 124.796 0.150 . 1 . . . . 52 V N . 16016 1 560 . 1 1 53 53 VAL H H 1 8.641 0.008 . 1 . . . . 53 V H . 16016 1 561 . 1 1 53 53 VAL HA H 1 4.420 0.008 . 1 . . . . 53 V HA . 16016 1 562 . 1 1 53 53 VAL HB H 1 1.748 0.008 . 1 . . . . 53 V HB . 16016 1 563 . 1 1 53 53 VAL HG11 H 1 0.473 0.008 . 1 . . . . 53 V QG1 . 16016 1 564 . 1 1 53 53 VAL HG12 H 1 0.473 0.008 . 1 . . . . 53 V QG1 . 16016 1 565 . 1 1 53 53 VAL HG13 H 1 0.473 0.008 . 1 . . . . 53 V QG1 . 16016 1 566 . 1 1 53 53 VAL HG21 H 1 0.646 0.008 . 1 . . . . 53 V QG2 . 16016 1 567 . 1 1 53 53 VAL HG22 H 1 0.646 0.008 . 1 . . . . 53 V QG2 . 16016 1 568 . 1 1 53 53 VAL HG23 H 1 0.646 0.008 . 1 . . . . 53 V QG2 . 16016 1 569 . 1 1 53 53 VAL CA C 13 60.269 0.200 . 1 . . . . 53 V CA . 16016 1 570 . 1 1 53 53 VAL CB C 13 34.139 0.200 . 1 . . . . 53 V CB . 16016 1 571 . 1 1 53 53 VAL CG1 C 13 19.903 0.200 . 2 . . . . 53 V CG1 . 16016 1 572 . 1 1 53 53 VAL CG2 C 13 22.619 0.200 . 2 . . . . 53 V CG2 . 16016 1 573 . 1 1 53 53 VAL N N 15 120.569 0.150 . 1 . . . . 53 V N . 16016 1 574 . 1 1 54 54 ALA H H 1 7.788 0.008 . 1 . . . . 54 A H . 16016 1 575 . 1 1 54 54 ALA HA H 1 4.785 0.008 . 1 . . . . 54 A HA . 16016 1 576 . 1 1 54 54 ALA HB1 H 1 1.314 0.008 . 1 . . . . 54 A QB . 16016 1 577 . 1 1 54 54 ALA HB2 H 1 1.314 0.008 . 1 . . . . 54 A QB . 16016 1 578 . 1 1 54 54 ALA HB3 H 1 1.314 0.008 . 1 . . . . 54 A QB . 16016 1 579 . 1 1 54 54 ALA CA C 13 50.719 0.200 . 1 . . . . 54 A CA . 16016 1 580 . 1 1 54 54 ALA CB C 13 21.849 0.200 . 1 . . . . 54 A CB . 16016 1 581 . 1 1 54 54 ALA N N 15 120.739 0.150 . 1 . . . . 54 A N . 16016 1 582 . 1 1 55 55 SER H H 1 8.040 0.008 . 1 . . . . 55 S H . 16016 1 583 . 1 1 55 55 SER HA H 1 5.286 0.008 . 1 . . . . 55 S HA . 16016 1 584 . 1 1 55 55 SER HB2 H 1 3.879 0.008 . 2 . . . . 55 S HB2 . 16016 1 585 . 1 1 55 55 SER HB3 H 1 3.746 0.008 . 2 . . . . 55 S HB3 . 16016 1 586 . 1 1 55 55 SER CA C 13 57.689 0.200 . 1 . . . . 55 S CA . 16016 1 587 . 1 1 55 55 SER CB C 13 65.579 0.200 . 1 . . . . 55 S CB . 16016 1 588 . 1 1 55 55 SER N N 15 111.899 0.150 . 1 . . . . 55 S N . 16016 1 589 . 1 1 56 56 ILE H H 1 9.109 0.008 . 1 . . . . 56 I H . 16016 1 590 . 1 1 56 56 ILE HA H 1 4.534 0.008 . 1 . . . . 56 I HA . 16016 1 591 . 1 1 56 56 ILE HB H 1 1.686 0.008 . 1 . . . . 56 I HB . 16016 1 592 . 1 1 56 56 ILE HD11 H 1 0.830 0.008 . 1 . . . . 56 I QD1 . 16016 1 593 . 1 1 56 56 ILE HD12 H 1 0.830 0.008 . 1 . . . . 56 I QD1 . 16016 1 594 . 1 1 56 56 ILE HD13 H 1 0.830 0.008 . 1 . . . . 56 I QD1 . 16016 1 595 . 1 1 56 56 ILE HG12 H 1 1.493 0.008 . 2 . . . . 56 I HG12 . 16016 1 596 . 1 1 56 56 ILE HG13 H 1 0.951 0.008 . 2 . . . . 56 I HG13 . 16016 1 597 . 1 1 56 56 ILE HG21 H 1 0.924 0.008 . 1 . . . . 56 I QG2 . 16016 1 598 . 1 1 56 56 ILE HG22 H 1 0.924 0.008 . 1 . . . . 56 I QG2 . 16016 1 599 . 1 1 56 56 ILE HG23 H 1 0.924 0.008 . 1 . . . . 56 I QG2 . 16016 1 600 . 1 1 56 56 ILE CA C 13 60.579 0.200 . 1 . . . . 56 I CA . 16016 1 601 . 1 1 56 56 ILE CB C 13 41.399 0.200 . 1 . . . . 56 I CB . 16016 1 602 . 1 1 56 56 ILE CD1 C 13 14.760 0.200 . 1 . . . . 56 I CD1 . 16016 1 603 . 1 1 56 56 ILE CG1 C 13 27.506 0.200 . 1 . . . . 56 I CG1 . 16016 1 604 . 1 1 56 56 ILE CG2 C 13 20.203 0.200 . 1 . . . . 56 I CG2 . 16016 1 605 . 1 1 56 56 ILE N N 15 123.959 0.150 . 1 . . . . 56 I N . 16016 1 606 . 1 1 57 57 GLU H H 1 9.113 0.008 . 1 . . . . 57 E H . 16016 1 607 . 1 1 57 57 GLU HA H 1 4.972 0.008 . 1 . . . . 57 E HA . 16016 1 608 . 1 1 57 57 GLU HB2 H 1 2.027 0.008 . 2 . . . . 57 E HB2 . 16016 1 609 . 1 1 57 57 GLU HB3 H 1 2.121 0.008 . 2 . . . . 57 E HB3 . 16016 1 610 . 1 1 57 57 GLU HG2 H 1 2.320 0.008 . 2 . . . . 57 E HG2 . 16016 1 611 . 1 1 57 57 GLU HG3 H 1 2.266 0.008 . 2 . . . . 57 E HG3 . 16016 1 612 . 1 1 57 57 GLU CA C 13 55.529 0.200 . 1 . . . . 57 E CA . 16016 1 613 . 1 1 57 57 GLU CB C 13 31.769 0.200 . 1 . . . . 57 E CB . 16016 1 614 . 1 1 57 57 GLU CG C 13 35.476 0.200 . 1 . . . . 57 E CG . 16016 1 615 . 1 1 57 57 GLU N N 15 126.219 0.150 . 1 . . . . 57 E N . 16016 1 616 . 1 1 58 58 SER H H 1 9.376 0.008 . 1 . . . . 58 S H . 16016 1 617 . 1 1 58 58 SER HA H 1 5.525 0.008 . 1 . . . . 58 S HA . 16016 1 618 . 1 1 58 58 SER HB2 H 1 4.139 0.008 . 2 . . . . 58 S HB2 . 16016 1 619 . 1 1 58 58 SER HB3 H 1 3.409 0.008 . 2 . . . . 58 S HB3 . 16016 1 620 . 1 1 58 58 SER HG H 1 5.827 0.008 . 1 . . . . 58 S HG . 16016 1 621 . 1 1 58 58 SER CA C 13 55.559 0.200 . 1 . . . . 58 S CA . 16016 1 622 . 1 1 58 58 SER CB C 13 68.459 0.200 . 1 . . . . 58 S CB . 16016 1 623 . 1 1 58 58 SER N N 15 124.001 0.150 . 1 . . . . 58 S N . 16016 1 624 . 1 1 59 59 VAL H H 1 8.608 0.008 . 1 . . . . 59 V H . 16016 1 625 . 1 1 59 59 VAL HA H 1 4.027 0.008 . 1 . . . . 59 V HA . 16016 1 626 . 1 1 59 59 VAL HB H 1 2.305 0.008 . 1 . . . . 59 V HB . 16016 1 627 . 1 1 59 59 VAL HG11 H 1 1.123 0.008 . 1 . . . . 59 V QG1 . 16016 1 628 . 1 1 59 59 VAL HG12 H 1 1.123 0.008 . 1 . . . . 59 V QG1 . 16016 1 629 . 1 1 59 59 VAL HG13 H 1 1.123 0.008 . 1 . . . . 59 V QG1 . 16016 1 630 . 1 1 59 59 VAL HG21 H 1 1.108 0.008 . 1 . . . . 59 V QG2 . 16016 1 631 . 1 1 59 59 VAL HG22 H 1 1.108 0.008 . 1 . . . . 59 V QG2 . 16016 1 632 . 1 1 59 59 VAL HG23 H 1 1.108 0.008 . 1 . . . . 59 V QG2 . 16016 1 633 . 1 1 59 59 VAL CA C 13 64.619 0.200 . 1 . . . . 59 V CA . 16016 1 634 . 1 1 59 59 VAL CB C 13 31.859 0.200 . 1 . . . . 59 V CB . 16016 1 635 . 1 1 59 59 VAL CG1 C 13 19.955 0.200 . 2 . . . . 59 V CG1 . 16016 1 636 . 1 1 59 59 VAL CG2 C 13 21.773 0.200 . 2 . . . . 59 V CG2 . 16016 1 637 . 1 1 59 59 VAL N N 15 113.889 0.150 . 1 . . . . 59 V N . 16016 1 638 . 1 1 60 60 LYS H H 1 7.972 0.008 . 1 . . . . 60 K H . 16016 1 639 . 1 1 60 60 LYS HA H 1 4.611 0.008 . 1 . . . . 60 K HA . 16016 1 640 . 1 1 60 60 LYS CA C 13 56.319 0.200 . 1 . . . . 60 K CA . 16016 1 641 . 1 1 60 60 LYS CB C 13 34.969 0.200 . 1 . . . . 60 K CB . 16016 1 642 . 1 1 60 60 LYS N N 15 115.979 0.150 . 1 . . . . 60 K N . 16016 1 643 . 1 1 61 61 ALA H H 1 7.936 0.008 . 1 . . . . 61 A H . 16016 1 644 . 1 1 61 61 ALA HA H 1 4.609 0.008 . 1 . . . . 61 A HA . 16016 1 645 . 1 1 61 61 ALA HB1 H 1 1.396 0.008 . 1 . . . . 61 A QB . 16016 1 646 . 1 1 61 61 ALA HB2 H 1 1.396 0.008 . 1 . . . . 61 A QB . 16016 1 647 . 1 1 61 61 ALA HB3 H 1 1.396 0.008 . 1 . . . . 61 A QB . 16016 1 648 . 1 1 61 61 ALA CA C 13 52.019 0.200 . 1 . . . . 61 A CA . 16016 1 649 . 1 1 61 61 ALA CB C 13 22.459 0.200 . 1 . . . . 61 A CB . 16016 1 650 . 1 1 61 61 ALA N N 15 123.519 0.150 . 1 . . . . 61 A N . 16016 1 651 . 1 1 62 62 ALA H H 1 7.935 0.008 . 1 . . . . 62 A H . 16016 1 652 . 1 1 62 62 ALA HA H 1 5.212 0.008 . 1 . . . . 62 A HA . 16016 1 653 . 1 1 62 62 ALA HB1 H 1 1.378 0.008 . 1 . . . . 62 A QB . 16016 1 654 . 1 1 62 62 ALA HB2 H 1 1.378 0.008 . 1 . . . . 62 A QB . 16016 1 655 . 1 1 62 62 ALA HB3 H 1 1.378 0.008 . 1 . . . . 62 A QB . 16016 1 656 . 1 1 62 62 ALA CA C 13 51.189 0.200 . 1 . . . . 62 A CA . 16016 1 657 . 1 1 62 62 ALA CB C 13 21.349 0.200 . 1 . . . . 62 A CB . 16016 1 658 . 1 1 62 62 ALA N N 15 120.689 0.150 . 1 . . . . 62 A N . 16016 1 659 . 1 1 63 63 ALA H H 1 9.134 0.008 . 1 . . . . 63 A H . 16016 1 660 . 1 1 63 63 ALA HA H 1 4.747 0.008 . 1 . . . . 63 A HA . 16016 1 661 . 1 1 63 63 ALA HB1 H 1 1.351 0.008 . 1 . . . . 63 A QB . 16016 1 662 . 1 1 63 63 ALA HB2 H 1 1.351 0.008 . 1 . . . . 63 A QB . 16016 1 663 . 1 1 63 63 ALA HB3 H 1 1.351 0.008 . 1 . . . . 63 A QB . 16016 1 664 . 1 1 63 63 ALA CA C 13 51.279 0.200 . 1 . . . . 63 A CA . 16016 1 665 . 1 1 63 63 ALA CB C 13 22.519 0.200 . 1 . . . . 63 A CB . 16016 1 666 . 1 1 63 63 ALA N N 15 124.210 0.150 . 1 . . . . 63 A N . 16016 1 667 . 1 1 64 64 ASP H H 1 8.249 0.008 . 1 . . . . 64 D H . 16016 1 668 . 1 1 64 64 ASP HA H 1 4.933 0.008 . 1 . . . . 64 D HA . 16016 1 669 . 1 1 64 64 ASP HB2 H 1 2.337 0.008 . 2 . . . . 64 D HB2 . 16016 1 670 . 1 1 64 64 ASP HB3 H 1 2.084 0.008 . 2 . . . . 64 D HB3 . 16016 1 671 . 1 1 64 64 ASP CA C 13 54.129 0.200 . 1 . . . . 64 D CA . 16016 1 672 . 1 1 64 64 ASP CB C 13 42.329 0.200 . 1 . . . . 64 D CB . 16016 1 673 . 1 1 64 64 ASP N N 15 121.909 0.150 . 1 . . . . 64 D N . 16016 1 674 . 1 1 65 65 VAL H H 1 8.196 0.008 . 1 . . . . 65 V H . 16016 1 675 . 1 1 65 65 VAL HA H 1 4.030 0.008 . 1 . . . . 65 V HA . 16016 1 676 . 1 1 65 65 VAL HB H 1 1.682 0.008 . 1 . . . . 65 V HB . 16016 1 677 . 1 1 65 65 VAL HG11 H 1 0.751 0.008 . 1 . . . . 65 V QG1 . 16016 1 678 . 1 1 65 65 VAL HG12 H 1 0.751 0.008 . 1 . . . . 65 V QG1 . 16016 1 679 . 1 1 65 65 VAL HG13 H 1 0.751 0.008 . 1 . . . . 65 V QG1 . 16016 1 680 . 1 1 65 65 VAL HG21 H 1 0.698 0.008 . 1 . . . . 65 V QG2 . 16016 1 681 . 1 1 65 65 VAL HG22 H 1 0.698 0.008 . 1 . . . . 65 V QG2 . 16016 1 682 . 1 1 65 65 VAL HG23 H 1 0.698 0.008 . 1 . . . . 65 V QG2 . 16016 1 683 . 1 1 65 65 VAL CA C 13 61.209 0.200 . 1 . . . . 65 V CA . 16016 1 684 . 1 1 65 65 VAL CB C 13 32.959 0.200 . 1 . . . . 65 V CB . 16016 1 685 . 1 1 65 65 VAL CG1 C 13 20.129 0.200 . 2 . . . . 65 V CG1 . 16016 1 686 . 1 1 65 65 VAL CG2 C 13 20.031 0.200 . 2 . . . . 65 V CG2 . 16016 1 687 . 1 1 65 65 VAL N N 15 120.249 0.150 . 1 . . . . 65 V N . 16016 1 688 . 1 1 66 66 TYR H H 1 8.540 0.008 . 1 . . . . 66 Y H . 16016 1 689 . 1 1 66 66 TYR HA H 1 4.937 0.008 . 1 . . . . 66 Y HA . 16016 1 690 . 1 1 66 66 TYR HB2 H 1 2.720 0.008 . 2 . . . . 66 Y HB2 . 16016 1 691 . 1 1 66 66 TYR HB3 H 1 2.522 0.008 . 2 . . . . 66 Y HB3 . 16016 1 692 . 1 1 66 66 TYR HD1 H 1 7.177 0.008 . 3 . . . . 66 Y QD . 16016 1 693 . 1 1 66 66 TYR HD2 H 1 7.177 0.008 . 3 . . . . 66 Y QD . 16016 1 694 . 1 1 66 66 TYR HE1 H 1 6.879 0.008 . 3 . . . . 66 Y QE . 16016 1 695 . 1 1 66 66 TYR HE2 H 1 6.879 0.008 . 3 . . . . 66 Y QE . 16016 1 696 . 1 1 66 66 TYR CA C 13 56.199 0.200 . 1 . . . . 66 Y CA . 16016 1 697 . 1 1 66 66 TYR CB C 13 39.789 0.200 . 1 . . . . 66 Y CB . 16016 1 698 . 1 1 66 66 TYR CD1 C 13 133.357 0.200 . 3 . . . . 66 Y CD1 . 16016 1 699 . 1 1 66 66 TYR CE1 C 13 118.635 0.200 . 3 . . . . 66 Y CE1 . 16016 1 700 . 1 1 66 66 TYR N N 15 127.409 0.150 . 1 . . . . 66 Y N . 16016 1 701 . 1 1 67 67 ALA H H 1 9.644 0.008 . 1 . . . . 67 A H . 16016 1 702 . 1 1 67 67 ALA HA H 1 4.351 0.008 . 1 . . . . 67 A HA . 16016 1 703 . 1 1 67 67 ALA HB1 H 1 1.507 0.008 . 1 . . . . 67 A QB . 16016 1 704 . 1 1 67 67 ALA HB2 H 1 1.507 0.008 . 1 . . . . 67 A QB . 16016 1 705 . 1 1 67 67 ALA HB3 H 1 1.507 0.008 . 1 . . . . 67 A QB . 16016 1 706 . 1 1 67 67 ALA CA C 13 50.378 0.200 . 1 . . . . 67 A CA . 16016 1 707 . 1 1 67 67 ALA CB C 13 17.198 0.200 . 1 . . . . 67 A CB . 16016 1 708 . 1 1 67 67 ALA N N 15 126.808 0.150 . 1 . . . . 67 A N . 16016 1 709 . 1 1 68 68 PRO HA H 1 4.448 0.008 . 1 . . . . 68 P HA . 16016 1 710 . 1 1 68 68 PRO HB2 H 1 1.977 0.008 . 2 . . . . 68 P HB2 . 16016 1 711 . 1 1 68 68 PRO HB3 H 1 1.578 0.008 . 2 . . . . 68 P HB3 . 16016 1 712 . 1 1 68 68 PRO HD2 H 1 3.614 0.008 . 2 . . . . 68 P HD2 . 16016 1 713 . 1 1 68 68 PRO HD3 H 1 4.347 0.008 . 2 . . . . 68 P HD3 . 16016 1 714 . 1 1 68 68 PRO HG2 H 1 1.684 0.008 . 2 . . . . 68 P HG2 . 16016 1 715 . 1 1 68 68 PRO HG3 H 1 1.825 0.008 . 2 . . . . 68 P HG3 . 16016 1 716 . 1 1 68 68 PRO CA C 13 63.839 0.200 . 1 . . . . 68 P CA . 16016 1 717 . 1 1 68 68 PRO CB C 13 32.539 0.200 . 1 . . . . 68 P CB . 16016 1 718 . 1 1 68 68 PRO CD C 13 50.112 0.200 . 1 . . . . 68 P CD . 16016 1 719 . 1 1 68 68 PRO CG C 13 27.547 0.200 . 1 . . . . 68 P CG . 16016 1 720 . 1 1 69 69 LEU H H 1 6.958 0.008 . 1 . . . . 69 L H . 16016 1 721 . 1 1 69 69 LEU HA H 1 4.370 0.008 . 1 . . . . 69 L HA . 16016 1 722 . 1 1 69 69 LEU HB2 H 1 1.314 0.008 . 2 . . . . 69 L HB2 . 16016 1 723 . 1 1 69 69 LEU HB3 H 1 1.843 0.008 . 2 . . . . 69 L HB3 . 16016 1 724 . 1 1 69 69 LEU HD11 H 1 0.932 0.008 . 1 . . . . 69 L QD1 . 16016 1 725 . 1 1 69 69 LEU HD12 H 1 0.932 0.008 . 1 . . . . 69 L QD1 . 16016 1 726 . 1 1 69 69 LEU HD13 H 1 0.932 0.008 . 1 . . . . 69 L QD1 . 16016 1 727 . 1 1 69 69 LEU HD21 H 1 0.698 0.008 . 1 . . . . 69 L QD2 . 16016 1 728 . 1 1 69 69 LEU HD22 H 1 0.698 0.008 . 1 . . . . 69 L QD2 . 16016 1 729 . 1 1 69 69 LEU HD23 H 1 0.698 0.008 . 1 . . . . 69 L QD2 . 16016 1 730 . 1 1 69 69 LEU HG H 1 1.314 0.008 . 1 . . . . 69 L HG . 16016 1 731 . 1 1 69 69 LEU CA C 13 52.169 0.200 . 1 . . . . 69 L CA . 16016 1 732 . 1 1 69 69 LEU CB C 13 47.869 0.200 . 1 . . . . 69 L CB . 16016 1 733 . 1 1 69 69 LEU CD1 C 13 24.898 0.200 . 2 . . . . 69 L CD1 . 16016 1 734 . 1 1 69 69 LEU CD2 C 13 27.167 0.200 . 2 . . . . 69 L CD2 . 16016 1 735 . 1 1 69 69 LEU CG C 13 27.277 0.200 . 1 . . . . 69 L CG . 16016 1 736 . 1 1 69 69 LEU N N 15 112.923 0.150 . 1 . . . . 69 L N . 16016 1 737 . 1 1 70 70 SER H H 1 10.907 0.008 . 1 . . . . 70 S H . 16016 1 738 . 1 1 70 70 SER HA H 1 4.721 0.008 . 1 . . . . 70 S HA . 16016 1 739 . 1 1 70 70 SER HB2 H 1 3.997 0.008 . 2 . . . . 70 S QB . 16016 1 740 . 1 1 70 70 SER HB3 H 1 3.997 0.008 . 2 . . . . 70 S QB . 16016 1 741 . 1 1 70 70 SER CA C 13 57.929 0.200 . 1 . . . . 70 S CA . 16016 1 742 . 1 1 70 70 SER CB C 13 62.419 0.200 . 1 . . . . 70 S CB . 16016 1 743 . 1 1 70 70 SER N N 15 117.020 0.150 . 1 . . . . 70 S N . 16016 1 744 . 1 1 71 71 GLY H H 1 8.646 0.008 . 1 . . . . 71 G H . 16016 1 745 . 1 1 71 71 GLY HA2 H 1 4.863 0.008 . 2 . . . . 71 G HA2 . 16016 1 746 . 1 1 71 71 GLY HA3 H 1 3.904 0.008 . 2 . . . . 71 G HA3 . 16016 1 747 . 1 1 71 71 GLY CA C 13 46.169 0.200 . 1 . . . . 71 G CA . 16016 1 748 . 1 1 71 71 GLY N N 15 111.629 0.150 . 1 . . . . 71 G N . 16016 1 749 . 1 1 72 72 LYS H H 1 8.129 0.008 . 1 . . . . 72 K H . 16016 1 750 . 1 1 72 72 LYS HA H 1 5.209 0.008 . 1 . . . . 72 K HA . 16016 1 751 . 1 1 72 72 LYS HB2 H 1 1.684 0.008 . 2 . . . . 72 K HB2 . 16016 1 752 . 1 1 72 72 LYS CA C 13 54.299 0.200 . 1 . . . . 72 K CA . 16016 1 753 . 1 1 72 72 LYS CB C 13 35.969 0.200 . 1 . . . . 72 K CB . 16016 1 754 . 1 1 72 72 LYS N N 15 121.309 0.150 . 1 . . . . 72 K N . 16016 1 755 . 1 1 73 73 ILE H H 1 8.980 0.008 . 1 . . . . 73 I H . 16016 1 756 . 1 1 73 73 ILE HA H 1 4.187 0.008 . 1 . . . . 73 I HA . 16016 1 757 . 1 1 73 73 ILE HB H 1 2.301 0.008 . 1 . . . . 73 I HB . 16016 1 758 . 1 1 73 73 ILE HD11 H 1 0.294 0.008 . 1 . . . . 73 I QD1 . 16016 1 759 . 1 1 73 73 ILE HD12 H 1 0.294 0.008 . 1 . . . . 73 I QD1 . 16016 1 760 . 1 1 73 73 ILE HD13 H 1 0.294 0.008 . 1 . . . . 73 I QD1 . 16016 1 761 . 1 1 73 73 ILE HG12 H 1 1.236 0.008 . 2 . . . . 73 I HG12 . 16016 1 762 . 1 1 73 73 ILE HG13 H 1 1.510 0.008 . 2 . . . . 73 I HG13 . 16016 1 763 . 1 1 73 73 ILE HG21 H 1 0.814 0.008 . 1 . . . . 73 I QG2 . 16016 1 764 . 1 1 73 73 ILE HG22 H 1 0.814 0.008 . 1 . . . . 73 I QG2 . 16016 1 765 . 1 1 73 73 ILE HG23 H 1 0.814 0.008 . 1 . . . . 73 I QG2 . 16016 1 766 . 1 1 73 73 ILE CA C 13 61.619 0.200 . 1 . . . . 73 I CA . 16016 1 767 . 1 1 73 73 ILE CB C 13 35.769 0.200 . 1 . . . . 73 I CB . 16016 1 768 . 1 1 73 73 ILE CD1 C 13 11.119 0.200 . 1 . . . . 73 I CD1 . 16016 1 769 . 1 1 73 73 ILE CG1 C 13 26.896 0.200 . 1 . . . . 73 I CG1 . 16016 1 770 . 1 1 73 73 ILE CG2 C 13 17.881 0.200 . 1 . . . . 73 I CG2 . 16016 1 771 . 1 1 73 73 ILE N N 15 125.999 0.150 . 1 . . . . 73 I N . 16016 1 772 . 1 1 74 74 VAL H H 1 9.074 0.008 . 1 . . . . 74 V H . 16016 1 773 . 1 1 74 74 VAL HA H 1 4.789 0.008 . 1 . . . . 74 V HA . 16016 1 774 . 1 1 74 74 VAL HB H 1 2.361 0.008 . 1 . . . . 74 V HB . 16016 1 775 . 1 1 74 74 VAL HG11 H 1 0.813 0.008 . 1 . . . . 74 V QG1 . 16016 1 776 . 1 1 74 74 VAL HG12 H 1 0.813 0.008 . 1 . . . . 74 V QG1 . 16016 1 777 . 1 1 74 74 VAL HG13 H 1 0.813 0.008 . 1 . . . . 74 V QG1 . 16016 1 778 . 1 1 74 74 VAL HG21 H 1 1.002 0.008 . 1 . . . . 74 V QG2 . 16016 1 779 . 1 1 74 74 VAL HG22 H 1 1.002 0.008 . 1 . . . . 74 V QG2 . 16016 1 780 . 1 1 74 74 VAL HG23 H 1 1.002 0.008 . 1 . . . . 74 V QG2 . 16016 1 781 . 1 1 74 74 VAL CA C 13 61.809 0.200 . 1 . . . . 74 V CA . 16016 1 782 . 1 1 74 74 VAL CB C 13 33.779 0.200 . 1 . . . . 74 V CB . 16016 1 783 . 1 1 74 74 VAL CG1 C 13 18.275 0.200 . 2 . . . . 74 V CG1 . 16016 1 784 . 1 1 74 74 VAL CG2 C 13 21.926 0.200 . 2 . . . . 74 V CG2 . 16016 1 785 . 1 1 74 74 VAL N N 15 121.719 0.150 . 1 . . . . 74 V N . 16016 1 786 . 1 1 75 75 GLU H H 1 7.820 0.008 . 1 . . . . 75 E H . 16016 1 787 . 1 1 75 75 GLU HA H 1 4.673 0.008 . 1 . . . . 75 E HA . 16016 1 788 . 1 1 75 75 GLU HB2 H 1 1.943 0.008 . 2 . . . . 75 E HB2 . 16016 1 789 . 1 1 75 75 GLU HB3 H 1 2.185 0.008 . 2 . . . . 75 E HB3 . 16016 1 790 . 1 1 75 75 GLU HG2 H 1 2.537 0.008 . 2 . . . . 75 E QG . 16016 1 791 . 1 1 75 75 GLU HG3 H 1 2.537 0.008 . 2 . . . . 75 E QG . 16016 1 792 . 1 1 75 75 GLU CA C 13 56.869 0.200 . 1 . . . . 75 E CA . 16016 1 793 . 1 1 75 75 GLU CB C 13 34.729 0.200 . 1 . . . . 75 E CB . 16016 1 794 . 1 1 75 75 GLU CG C 13 36.889 0.200 . 1 . . . . 75 E CG . 16016 1 795 . 1 1 75 75 GLU N N 15 121.019 0.150 . 1 . . . . 75 E N . 16016 1 796 . 1 1 76 76 VAL H H 1 9.041 0.008 . 1 . . . . 76 V H . 16016 1 797 . 1 1 76 76 VAL HA H 1 5.118 0.008 . 1 . . . . 76 V HA . 16016 1 798 . 1 1 76 76 VAL HB H 1 2.211 0.008 . 1 . . . . 76 V HB . 16016 1 799 . 1 1 76 76 VAL HG11 H 1 1.041 0.008 . 1 . . . . 76 V QG1 . 16016 1 800 . 1 1 76 76 VAL HG12 H 1 1.041 0.008 . 1 . . . . 76 V QG1 . 16016 1 801 . 1 1 76 76 VAL HG13 H 1 1.041 0.008 . 1 . . . . 76 V QG1 . 16016 1 802 . 1 1 76 76 VAL HG21 H 1 0.852 0.008 . 1 . . . . 76 V QG2 . 16016 1 803 . 1 1 76 76 VAL HG22 H 1 0.852 0.008 . 1 . . . . 76 V QG2 . 16016 1 804 . 1 1 76 76 VAL HG23 H 1 0.852 0.008 . 1 . . . . 76 V QG2 . 16016 1 805 . 1 1 76 76 VAL CA C 13 60.019 0.200 . 1 . . . . 76 V CA . 16016 1 806 . 1 1 76 76 VAL CB C 13 35.069 0.200 . 1 . . . . 76 V CB . 16016 1 807 . 1 1 76 76 VAL CG1 C 13 21.903 0.200 . 2 . . . . 76 V CG1 . 16016 1 808 . 1 1 76 76 VAL CG2 C 13 18.441 0.200 . 2 . . . . 76 V CG2 . 16016 1 809 . 1 1 76 76 VAL N N 15 118.309 0.150 . 1 . . . . 76 V N . 16016 1 810 . 1 1 77 77 ASN H H 1 7.215 0.008 . 1 . . . . 77 N H . 16016 1 811 . 1 1 77 77 ASN HA H 1 3.985 0.008 . 1 . . . . 77 N HA . 16016 1 812 . 1 1 77 77 ASN HB2 H 1 2.478 0.008 . 2 . . . . 77 N HB2 . 16016 1 813 . 1 1 77 77 ASN HB3 H 1 -0.074 0.008 . 2 . . . . 77 N HB3 . 16016 1 814 . 1 1 77 77 ASN HD21 H 1 7.530 0.008 . 2 . . . . 77 N HD21 . 16016 1 815 . 1 1 77 77 ASN HD22 H 1 5.662 0.008 . 2 . . . . 77 N HD22 . 16016 1 816 . 1 1 77 77 ASN CA C 13 52.149 0.200 . 1 . . . . 77 N CA . 16016 1 817 . 1 1 77 77 ASN CB C 13 34.919 0.200 . 1 . . . . 77 N CB . 16016 1 818 . 1 1 77 77 ASN N N 15 119.289 0.150 . 1 . . . . 77 N N . 16016 1 819 . 1 1 77 77 ASN ND2 N 15 108.662 0.150 . 1 . . . . 77 N ND2 . 16016 1 820 . 1 1 78 78 GLU H H 1 8.101 0.008 . 1 . . . . 78 E H . 16016 1 821 . 1 1 78 78 GLU HA H 1 3.960 0.008 . 1 . . . . 78 E HA . 16016 1 822 . 1 1 78 78 GLU HB2 H 1 2.064 0.008 . 2 . . . . 78 E HB2 . 16016 1 823 . 1 1 78 78 GLU HB3 H 1 2.190 0.008 . 2 . . . . 78 E HB3 . 16016 1 824 . 1 1 78 78 GLU HG2 H 1 2.310 0.008 . 2 . . . . 78 E HG2 . 16016 1 825 . 1 1 78 78 GLU HG3 H 1 2.412 0.008 . 2 . . . . 78 E HG3 . 16016 1 826 . 1 1 78 78 GLU CA C 13 58.229 0.200 . 1 . . . . 78 E CA . 16016 1 827 . 1 1 78 78 GLU CB C 13 29.379 0.200 . 1 . . . . 78 E CB . 16016 1 828 . 1 1 78 78 GLU CG C 13 36.351 0.200 . 1 . . . . 78 E CG . 16016 1 829 . 1 1 78 78 GLU N N 15 125.349 0.150 . 1 . . . . 78 E N . 16016 1 830 . 1 1 79 79 LYS H H 1 7.706 0.008 . 1 . . . . 79 K H . 16016 1 831 . 1 1 79 79 LYS HA H 1 4.057 0.008 . 1 . . . . 79 K HA . 16016 1 832 . 1 1 79 79 LYS HB2 H 1 1.717 0.008 . 2 . . . . 79 K HB2 . 16016 1 833 . 1 1 79 79 LYS HB3 H 1 1.633 0.008 . 2 . . . . 79 K HB3 . 16016 1 834 . 1 1 79 79 LYS HD2 H 1 0.812 0.008 . 2 . . . . 79 K QD . 16016 1 835 . 1 1 79 79 LYS HD3 H 1 0.812 0.008 . 2 . . . . 79 K QD . 16016 1 836 . 1 1 79 79 LYS HE2 H 1 3.040 0.008 . 2 . . . . 79 K QE . 16016 1 837 . 1 1 79 79 LYS HE3 H 1 3.040 0.008 . 2 . . . . 79 K QE . 16016 1 838 . 1 1 79 79 LYS HG2 H 1 1.570 0.008 . 2 . . . . 79 K HG2 . 16016 1 839 . 1 1 79 79 LYS HG3 H 1 1.434 0.008 . 2 . . . . 79 K HG3 . 16016 1 840 . 1 1 79 79 LYS CA C 13 58.769 0.200 . 1 . . . . 79 K CA . 16016 1 841 . 1 1 79 79 LYS CB C 13 32.409 0.200 . 1 . . . . 79 K CB . 16016 1 842 . 1 1 79 79 LYS CD C 13 25.248 0.200 . 1 . . . . 79 K CD . 16016 1 843 . 1 1 79 79 LYS CE C 13 42.008 0.200 . 1 . . . . 79 K CE . 16016 1 844 . 1 1 79 79 LYS CG C 13 25.560 0.200 . 1 . . . . 79 K CG . 16016 1 845 . 1 1 79 79 LYS N N 15 118.709 0.150 . 1 . . . . 79 K N . 16016 1 846 . 1 1 80 80 LEU H H 1 7.307 0.008 . 1 . . . . 80 L H . 16016 1 847 . 1 1 80 80 LEU HA H 1 3.713 0.008 . 1 . . . . 80 L HA . 16016 1 848 . 1 1 80 80 LEU HB2 H 1 1.768 0.008 . 2 . . . . 80 L HB2 . 16016 1 849 . 1 1 80 80 LEU HB3 H 1 1.290 0.008 . 2 . . . . 80 L HB3 . 16016 1 850 . 1 1 80 80 LEU HD11 H 1 1.461 0.008 . 1 . . . . 80 L QD1 . 16016 1 851 . 1 1 80 80 LEU HD12 H 1 1.461 0.008 . 1 . . . . 80 L QD1 . 16016 1 852 . 1 1 80 80 LEU HD13 H 1 1.461 0.008 . 1 . . . . 80 L QD1 . 16016 1 853 . 1 1 80 80 LEU HD21 H 1 0.748 0.008 . 1 . . . . 80 L QD2 . 16016 1 854 . 1 1 80 80 LEU HD22 H 1 0.748 0.008 . 1 . . . . 80 L QD2 . 16016 1 855 . 1 1 80 80 LEU HD23 H 1 0.748 0.008 . 1 . . . . 80 L QD2 . 16016 1 856 . 1 1 80 80 LEU HG H 1 1.021 0.008 . 1 . . . . 80 L HG . 16016 1 857 . 1 1 80 80 LEU CA C 13 56.009 0.200 . 1 . . . . 80 L CA . 16016 1 858 . 1 1 80 80 LEU CB C 13 41.019 0.200 . 1 . . . . 80 L CB . 16016 1 859 . 1 1 80 80 LEU CD1 C 13 26.868 0.200 . 2 . . . . 80 L CD1 . 16016 1 860 . 1 1 80 80 LEU CD2 C 13 23.580 0.200 . 2 . . . . 80 L CD2 . 16016 1 861 . 1 1 80 80 LEU CG C 13 27.648 0.200 . 1 . . . . 80 L CG . 16016 1 862 . 1 1 80 80 LEU N N 15 114.249 0.150 . 1 . . . . 80 L N . 16016 1 863 . 1 1 81 81 ASP H H 1 7.385 0.008 . 1 . . . . 81 D H . 16016 1 864 . 1 1 81 81 ASP HA H 1 4.478 0.008 . 1 . . . . 81 D HA . 16016 1 865 . 1 1 81 81 ASP HB2 H 1 2.821 0.008 . 2 . . . . 81 D HB2 . 16016 1 866 . 1 1 81 81 ASP HB3 H 1 2.741 0.008 . 2 . . . . 81 D HB3 . 16016 1 867 . 1 1 81 81 ASP CA C 13 56.759 0.200 . 1 . . . . 81 D CA . 16016 1 868 . 1 1 81 81 ASP CB C 13 40.899 0.200 . 1 . . . . 81 D CB . 16016 1 869 . 1 1 81 81 ASP N N 15 116.297 0.150 . 1 . . . . 81 D N . 16016 1 870 . 1 1 82 82 THR H H 1 7.119 0.008 . 1 . . . . 82 T H . 16016 1 871 . 1 1 82 82 THR HA H 1 4.527 0.008 . 1 . . . . 82 T HA . 16016 1 872 . 1 1 82 82 THR HB H 1 4.312 0.008 . 1 . . . . 82 T HB . 16016 1 873 . 1 1 82 82 THR HG21 H 1 1.255 0.008 . 1 . . . . 82 T QG2 . 16016 1 874 . 1 1 82 82 THR HG22 H 1 1.255 0.008 . 1 . . . . 82 T QG2 . 16016 1 875 . 1 1 82 82 THR HG23 H 1 1.255 0.008 . 1 . . . . 82 T QG2 . 16016 1 876 . 1 1 82 82 THR CA C 13 61.819 0.200 . 1 . . . . 82 T CA . 16016 1 877 . 1 1 82 82 THR CB C 13 70.199 0.200 . 1 . . . . 82 T CB . 16016 1 878 . 1 1 82 82 THR CG2 C 13 22.352 0.200 . 1 . . . . 82 T CG2 . 16016 1 879 . 1 1 82 82 THR N N 15 105.679 0.150 . 1 . . . . 82 T N . 16016 1 880 . 1 1 83 83 GLU H H 1 8.218 0.008 . 1 . . . . 83 E H . 16016 1 881 . 1 1 83 83 GLU HA H 1 4.915 0.008 . 1 . . . . 83 E HA . 16016 1 882 . 1 1 83 83 GLU HB2 H 1 2.030 0.008 . 2 . . . . 83 E HB2 . 16016 1 883 . 1 1 83 83 GLU HB3 H 1 1.752 0.008 . 2 . . . . 83 E HB3 . 16016 1 884 . 1 1 83 83 GLU HG2 H 1 2.192 0.008 . 2 . . . . 83 E QG . 16016 1 885 . 1 1 83 83 GLU HG3 H 1 2.192 0.008 . 2 . . . . 83 E QG . 16016 1 886 . 1 1 83 83 GLU CA C 13 54.072 0.200 . 1 . . . . 83 E CA . 16016 1 887 . 1 1 83 83 GLU CB C 13 30.331 0.200 . 1 . . . . 83 E CB . 16016 1 888 . 1 1 83 83 GLU CG C 13 36.215 0.200 . 1 . . . . 83 E CG . 16016 1 889 . 1 1 83 83 GLU N N 15 122.279 0.150 . 1 . . . . 83 E N . 16016 1 890 . 1 1 84 84 PRO HA H 1 4.197 0.008 . 1 . . . . 84 P HA . 16016 1 891 . 1 1 84 84 PRO HB2 H 1 2.161 0.008 . 2 . . . . 84 P HB2 . 16016 1 892 . 1 1 84 84 PRO HB3 H 1 1.712 0.008 . 2 . . . . 84 P HB3 . 16016 1 893 . 1 1 84 84 PRO HD2 H 1 3.721 0.008 . 2 . . . . 84 P HD2 . 16016 1 894 . 1 1 84 84 PRO HD3 H 1 3.108 0.008 . 2 . . . . 84 P HD3 . 16016 1 895 . 1 1 84 84 PRO HG2 H 1 1.933 0.008 . 2 . . . . 84 P HG2 . 16016 1 896 . 1 1 84 84 PRO HG3 H 1 2.022 0.008 . 2 . . . . 84 P HG3 . 16016 1 897 . 1 1 84 84 PRO CA C 13 65.609 0.200 . 1 . . . . 84 P CA . 16016 1 898 . 1 1 84 84 PRO CB C 13 30.589 0.200 . 1 . . . . 84 P CB . 16016 1 899 . 1 1 84 84 PRO CD C 13 50.122 0.200 . 1 . . . . 84 P CD . 16016 1 900 . 1 1 84 84 PRO CG C 13 27.131 0.200 . 1 . . . . 84 P CG . 16016 1 901 . 1 1 85 85 GLU H H 1 9.457 0.008 . 1 . . . . 85 E H . 16016 1 902 . 1 1 85 85 GLU HA H 1 4.329 0.008 . 1 . . . . 85 E HA . 16016 1 903 . 1 1 85 85 GLU HB2 H 1 2.199 0.008 . 2 . . . . 85 E HB2 . 16016 1 904 . 1 1 85 85 GLU HB3 H 1 2.243 0.008 . 2 . . . . 85 E HB3 . 16016 1 905 . 1 1 85 85 GLU HG2 H 1 2.126 0.008 . 2 . . . . 85 E QG . 16016 1 906 . 1 1 85 85 GLU HG3 H 1 2.126 0.008 . 2 . . . . 85 E QG . 16016 1 907 . 1 1 85 85 GLU CA C 13 58.419 0.200 . 1 . . . . 85 E CA . 16016 1 908 . 1 1 85 85 GLU CB C 13 27.649 0.200 . 1 . . . . 85 E CB . 16016 1 909 . 1 1 85 85 GLU CG C 13 35.342 0.200 . 1 . . . . 85 E CG . 16016 1 910 . 1 1 85 85 GLU N N 15 115.279 0.150 . 1 . . . . 85 E N . 16016 1 911 . 1 1 86 86 LEU H H 1 8.210 0.008 . 1 . . . . 86 L H . 16016 1 912 . 1 1 86 86 LEU HA H 1 3.896 0.008 . 1 . . . . 86 L HA . 16016 1 913 . 1 1 86 86 LEU HB2 H 1 1.736 0.008 . 2 . . . . 86 L HB2 . 16016 1 914 . 1 1 86 86 LEU HB3 H 1 1.120 0.008 . 2 . . . . 86 L HB3 . 16016 1 915 . 1 1 86 86 LEU HD11 H 1 0.778 0.008 . 1 . . . . 86 L QD1 . 16016 1 916 . 1 1 86 86 LEU HD12 H 1 0.778 0.008 . 1 . . . . 86 L QD1 . 16016 1 917 . 1 1 86 86 LEU HD13 H 1 0.778 0.008 . 1 . . . . 86 L QD1 . 16016 1 918 . 1 1 86 86 LEU HD21 H 1 0.816 0.008 . 1 . . . . 86 L QD2 . 16016 1 919 . 1 1 86 86 LEU HD22 H 1 0.816 0.008 . 1 . . . . 86 L QD2 . 16016 1 920 . 1 1 86 86 LEU HD23 H 1 0.816 0.008 . 1 . . . . 86 L QD2 . 16016 1 921 . 1 1 86 86 LEU HG H 1 1.768 0.008 . 1 . . . . 86 L HG . 16016 1 922 . 1 1 86 86 LEU CA C 13 58.549 0.200 . 1 . . . . 86 L CA . 16016 1 923 . 1 1 86 86 LEU CB C 13 42.479 0.200 . 1 . . . . 86 L CB . 16016 1 924 . 1 1 86 86 LEU CD1 C 13 23.471 0.200 . 2 . . . . 86 L CD1 . 16016 1 925 . 1 1 86 86 LEU CD2 C 13 25.214 0.200 . 2 . . . . 86 L CD2 . 16016 1 926 . 1 1 86 86 LEU CG C 13 27.213 0.200 . 1 . . . . 86 L CG . 16016 1 927 . 1 1 86 86 LEU N N 15 125.719 0.150 . 1 . . . . 86 L N . 16016 1 928 . 1 1 87 87 ILE H H 1 7.894 0.008 . 1 . . . . 87 I H . 16016 1 929 . 1 1 87 87 ILE HA H 1 3.525 0.008 . 1 . . . . 87 I HA . 16016 1 930 . 1 1 87 87 ILE HB H 1 1.722 0.008 . 1 . . . . 87 I HB . 16016 1 931 . 1 1 87 87 ILE HD11 H 1 0.928 0.008 . 1 . . . . 87 I QD1 . 16016 1 932 . 1 1 87 87 ILE HD12 H 1 0.928 0.008 . 1 . . . . 87 I QD1 . 16016 1 933 . 1 1 87 87 ILE HD13 H 1 0.928 0.008 . 1 . . . . 87 I QD1 . 16016 1 934 . 1 1 87 87 ILE HG12 H 1 1.401 0.008 . 2 . . . . 87 I HG12 . 16016 1 935 . 1 1 87 87 ILE HG13 H 1 1.671 0.008 . 2 . . . . 87 I HG13 . 16016 1 936 . 1 1 87 87 ILE HG21 H 1 0.907 0.008 . 1 . . . . 87 I QG2 . 16016 1 937 . 1 1 87 87 ILE HG22 H 1 0.907 0.008 . 1 . . . . 87 I QG2 . 16016 1 938 . 1 1 87 87 ILE HG23 H 1 0.907 0.008 . 1 . . . . 87 I QG2 . 16016 1 939 . 1 1 87 87 ILE CA C 13 65.119 0.200 . 1 . . . . 87 I CA . 16016 1 940 . 1 1 87 87 ILE CB C 13 37.563 0.200 . 1 . . . . 87 I CB . 16016 1 941 . 1 1 87 87 ILE CD1 C 13 14.445 0.200 . 1 . . . . 87 I CD1 . 16016 1 942 . 1 1 87 87 ILE CG1 C 13 29.336 0.200 . 1 . . . . 87 I CG1 . 16016 1 943 . 1 1 87 87 ILE CG2 C 13 18.329 0.200 . 1 . . . . 87 I CG2 . 16016 1 944 . 1 1 87 87 ILE N N 15 116.969 0.150 . 1 . . . . 87 I N . 16016 1 945 . 1 1 88 88 ASN H H 1 6.823 0.008 . 1 . . . . 88 N H . 16016 1 946 . 1 1 88 88 ASN HA H 1 4.461 0.008 . 1 . . . . 88 N HA . 16016 1 947 . 1 1 88 88 ASN HB2 H 1 2.892 0.008 . 2 . . . . 88 N HB2 . 16016 1 948 . 1 1 88 88 ASN HB3 H 1 2.612 0.008 . 2 . . . . 88 N HB3 . 16016 1 949 . 1 1 88 88 ASN HD21 H 1 8.312 0.008 . 2 . . . . 88 N HD21 . 16016 1 950 . 1 1 88 88 ASN HD22 H 1 7.289 0.008 . 2 . . . . 88 N HD22 . 16016 1 951 . 1 1 88 88 ASN CA C 13 56.379 0.200 . 1 . . . . 88 N CA . 16016 1 952 . 1 1 88 88 ASN CB C 13 41.219 0.200 . 1 . . . . 88 N CB . 16016 1 953 . 1 1 88 88 ASN N N 15 110.160 0.150 . 1 . . . . 88 N N . 16016 1 954 . 1 1 88 88 ASN ND2 N 15 108.270 0.150 . 1 . . . . 88 N ND2 . 16016 1 955 . 1 1 89 89 LYS H H 1 7.971 0.008 . 1 . . . . 89 K H . 16016 1 956 . 1 1 89 89 LYS HA H 1 4.004 0.008 . 1 . . . . 89 K HA . 16016 1 957 . 1 1 89 89 LYS HB2 H 1 1.840 0.008 . 2 . . . . 89 K HB2 . 16016 1 958 . 1 1 89 89 LYS HB3 H 1 1.601 0.008 . 2 . . . . 89 K HB3 . 16016 1 959 . 1 1 89 89 LYS HG2 H 1 1.403 0.008 . 2 . . . . 89 K HG2 . 16016 1 960 . 1 1 89 89 LYS HG3 H 1 1.535 0.008 . 2 . . . . 89 K HG3 . 16016 1 961 . 1 1 89 89 LYS CA C 13 58.319 0.200 . 1 . . . . 89 K CA . 16016 1 962 . 1 1 89 89 LYS CB C 13 33.929 0.200 . 1 . . . . 89 K CB . 16016 1 963 . 1 1 89 89 LYS CG C 13 25.224 0.200 . 1 . . . . 89 K CG . 16016 1 964 . 1 1 89 89 LYS N N 15 116.449 0.150 . 1 . . . . 89 K N . 16016 1 965 . 1 1 90 90 ASP H H 1 8.217 0.008 . 1 . . . . 90 D H . 16016 1 966 . 1 1 90 90 ASP HA H 1 5.097 0.008 . 1 . . . . 90 D HA . 16016 1 967 . 1 1 90 90 ASP HB2 H 1 2.622 0.008 . 2 . . . . 90 D HB2 . 16016 1 968 . 1 1 90 90 ASP HB3 H 1 2.458 0.008 . 2 . . . . 90 D HB3 . 16016 1 969 . 1 1 90 90 ASP CA C 13 52.813 0.200 . 1 . . . . 90 D CA . 16016 1 970 . 1 1 90 90 ASP CB C 13 41.504 0.200 . 1 . . . . 90 D CB . 16016 1 971 . 1 1 90 90 ASP N N 15 115.166 0.150 . 1 . . . . 90 D N . 16016 1 972 . 1 1 91 91 PRO HA H 1 4.324 0.008 . 1 . . . . 91 P HA . 16016 1 973 . 1 1 91 91 PRO HB2 H 1 2.876 0.008 . 2 . . . . 91 P HB2 . 16016 1 974 . 1 1 91 91 PRO HB3 H 1 2.619 0.008 . 2 . . . . 91 P HB3 . 16016 1 975 . 1 1 91 91 PRO HD2 H 1 3.542 0.008 . 2 . . . . 91 P HD2 . 16016 1 976 . 1 1 91 91 PRO HD3 H 1 3.710 0.008 . 2 . . . . 91 P HD3 . 16016 1 977 . 1 1 91 91 PRO HG2 H 1 2.173 0.008 . 2 . . . . 91 P HG2 . 16016 1 978 . 1 1 91 91 PRO HG3 H 1 1.976 0.008 . 2 . . . . 91 P HG3 . 16016 1 979 . 1 1 91 91 PRO CA C 13 65.979 0.200 . 1 . . . . 91 P CA . 16016 1 980 . 1 1 91 91 PRO CB C 13 30.199 0.200 . 1 . . . . 91 P CB . 16016 1 981 . 1 1 91 91 PRO CD C 13 50.325 0.200 . 1 . . . . 91 P CD . 16016 1 982 . 1 1 91 91 PRO CG C 13 27.682 0.200 . 1 . . . . 91 P CG . 16016 1 983 . 1 1 92 92 GLU H H 1 8.373 0.008 . 1 . . . . 92 E H . 16016 1 984 . 1 1 92 92 GLU HA H 1 4.272 0.008 . 1 . . . . 92 E HA . 16016 1 985 . 1 1 92 92 GLU HB2 H 1 1.274 0.008 . 2 . . . . 92 E HB2 . 16016 1 986 . 1 1 92 92 GLU HB3 H 1 1.473 0.008 . 2 . . . . 92 E HB3 . 16016 1 987 . 1 1 92 92 GLU HG2 H 1 2.045 0.008 . 2 . . . . 92 E HG2 . 16016 1 988 . 1 1 92 92 GLU CA C 13 54.629 0.200 . 1 . . . . 92 E CA . 16016 1 989 . 1 1 92 92 GLU CB C 13 28.019 0.200 . 1 . . . . 92 E CB . 16016 1 990 . 1 1 92 92 GLU CG C 13 37.359 0.200 . 1 . . . . 92 E CG . 16016 1 991 . 1 1 92 92 GLU N N 15 114.019 0.150 . 1 . . . . 92 E N . 16016 1 992 . 1 1 93 93 GLY H H 1 7.302 0.008 . 1 . . . . 93 G H . 16016 1 993 . 1 1 93 93 GLY HA2 H 1 3.763 0.008 . 2 . . . . 93 G HA2 . 16016 1 994 . 1 1 93 93 GLY HA3 H 1 4.231 0.008 . 2 . . . . 93 G HA3 . 16016 1 995 . 1 1 93 93 GLY CA C 13 46.149 0.200 . 1 . . . . 93 G CA . 16016 1 996 . 1 1 93 93 GLY N N 15 110.989 0.150 . 1 . . . . 93 G N . 16016 1 997 . 1 1 94 94 GLU H H 1 9.364 0.008 . 1 . . . . 94 E H . 16016 1 998 . 1 1 94 94 GLU HA H 1 4.403 0.008 . 1 . . . . 94 E HA . 16016 1 999 . 1 1 94 94 GLU HB2 H 1 2.028 0.008 . 2 . . . . 94 E HB2 . 16016 1 1000 . 1 1 94 94 GLU HB3 H 1 2.334 0.008 . 2 . . . . 94 E HB3 . 16016 1 1001 . 1 1 94 94 GLU HG2 H 1 2.438 0.008 . 2 . . . . 94 E HG2 . 16016 1 1002 . 1 1 94 94 GLU HG3 H 1 2.585 0.008 . 2 . . . . 94 E HG3 . 16016 1 1003 . 1 1 94 94 GLU CA C 13 58.629 0.200 . 1 . . . . 94 E CA . 16016 1 1004 . 1 1 94 94 GLU CB C 13 30.819 0.200 . 1 . . . . 94 E CB . 16016 1 1005 . 1 1 94 94 GLU CG C 13 36.971 0.200 . 1 . . . . 94 E CG . 16016 1 1006 . 1 1 94 94 GLU N N 15 129.789 0.150 . 1 . . . . 94 E N . 16016 1 1007 . 1 1 95 95 GLY H H 1 8.538 0.008 . 1 . . . . 95 G H . 16016 1 1008 . 1 1 95 95 GLY HA2 H 1 3.851 0.008 . 2 . . . . 95 G HA2 . 16016 1 1009 . 1 1 95 95 GLY HA3 H 1 3.114 0.008 . 2 . . . . 95 G HA3 . 16016 1 1010 . 1 1 95 95 GLY CA C 13 45.689 0.200 . 1 . . . . 95 G CA . 16016 1 1011 . 1 1 95 95 GLY N N 15 104.749 0.150 . 1 . . . . 95 G N . 16016 1 1012 . 1 1 96 96 TRP H H 1 6.854 0.008 . 1 . . . . 96 W H . 16016 1 1013 . 1 1 96 96 TRP HA H 1 4.265 0.008 . 1 . . . . 96 W HA . 16016 1 1014 . 1 1 96 96 TRP HB2 H 1 3.354 0.008 . 2 . . . . 96 W HB2 . 16016 1 1015 . 1 1 96 96 TRP HB3 H 1 3.115 0.008 . 2 . . . . 96 W HB3 . 16016 1 1016 . 1 1 96 96 TRP HD1 H 1 7.968 0.008 . 1 . . . . 96 W HD1 . 16016 1 1017 . 1 1 96 96 TRP HE1 H 1 10.273 0.008 . 1 . . . . 96 W HE1 . 16016 1 1018 . 1 1 96 96 TRP HE3 H 1 7.172 0.008 . 1 . . . . 96 W HE3 . 16016 1 1019 . 1 1 96 96 TRP HH2 H 1 6.871 0.008 . 1 . . . . 96 W HH2 . 16016 1 1020 . 1 1 96 96 TRP HZ2 H 1 7.476 0.008 . 1 . . . . 96 W HZ2 . 16016 1 1021 . 1 1 96 96 TRP HZ3 H 1 6.517 0.008 . 1 . . . . 96 W HZ3 . 16016 1 1022 . 1 1 96 96 TRP CA C 13 56.499 0.200 . 1 . . . . 96 W CA . 16016 1 1023 . 1 1 96 96 TRP CB C 13 28.649 0.200 . 1 . . . . 96 W CB . 16016 1 1024 . 1 1 96 96 TRP CD1 C 13 128.884 0.200 . 1 . . . . 96 W CD1 . 16016 1 1025 . 1 1 96 96 TRP CE3 C 13 119.641 0.200 . 1 . . . . 96 W CE3 . 16016 1 1026 . 1 1 96 96 TRP CH2 C 13 123.030 0.200 . 1 . . . . 96 W CH2 . 16016 1 1027 . 1 1 96 96 TRP CZ2 C 13 114.728 0.200 . 1 . . . . 96 W CZ2 . 16016 1 1028 . 1 1 96 96 TRP CZ3 C 13 120.695 0.200 . 1 . . . . 96 W CZ3 . 16016 1 1029 . 1 1 96 96 TRP NE1 N 15 131.211 0.150 . 1 . . . . 96 W NE1 . 16016 1 1030 . 1 1 97 97 LEU H H 1 8.854 0.008 . 1 . . . . 97 L H . 16016 1 1031 . 1 1 97 97 LEU HA H 1 4.456 0.008 . 1 . . . . 97 L HA . 16016 1 1032 . 1 1 97 97 LEU HB2 H 1 1.619 0.008 . 2 . . . . 97 L HB2 . 16016 1 1033 . 1 1 97 97 LEU HB3 H 1 1.299 0.008 . 2 . . . . 97 L HB3 . 16016 1 1034 . 1 1 97 97 LEU HD11 H 1 0.878 0.008 . 1 . . . . 97 L QD1 . 16016 1 1035 . 1 1 97 97 LEU HD12 H 1 0.878 0.008 . 1 . . . . 97 L QD1 . 16016 1 1036 . 1 1 97 97 LEU HD13 H 1 0.878 0.008 . 1 . . . . 97 L QD1 . 16016 1 1037 . 1 1 97 97 LEU HD21 H 1 0.783 0.008 . 1 . . . . 97 L QD2 . 16016 1 1038 . 1 1 97 97 LEU HD22 H 1 0.783 0.008 . 1 . . . . 97 L QD2 . 16016 1 1039 . 1 1 97 97 LEU HD23 H 1 0.783 0.008 . 1 . . . . 97 L QD2 . 16016 1 1040 . 1 1 97 97 LEU HG H 1 1.821 0.008 . 1 . . . . 97 L HG . 16016 1 1041 . 1 1 97 97 LEU CA C 13 57.329 0.200 . 1 . . . . 97 L CA . 16016 1 1042 . 1 1 97 97 LEU CB C 13 45.609 0.200 . 1 . . . . 97 L CB . 16016 1 1043 . 1 1 97 97 LEU CD1 C 13 27.112 0.200 . 2 . . . . 97 L CD1 . 16016 1 1044 . 1 1 97 97 LEU CD2 C 13 24.666 0.200 . 2 . . . . 97 L CD2 . 16016 1 1045 . 1 1 97 97 LEU CG C 13 27.820 0.200 . 1 . . . . 97 L CG . 16016 1 1046 . 1 1 97 97 LEU N N 15 115.429 0.150 . 1 . . . . 97 L N . 16016 1 1047 . 1 1 98 98 PHE H H 1 7.428 0.008 . 1 . . . . 98 F H . 16016 1 1048 . 1 1 98 98 PHE HA H 1 5.629 0.008 . 1 . . . . 98 F HA . 16016 1 1049 . 1 1 98 98 PHE HB2 H 1 3.480 0.008 . 2 . . . . 98 F HB2 . 16016 1 1050 . 1 1 98 98 PHE HB3 H 1 3.161 0.008 . 2 . . . . 98 F HB3 . 16016 1 1051 . 1 1 98 98 PHE HD1 H 1 6.774 0.008 . 3 . . . . 98 F QD . 16016 1 1052 . 1 1 98 98 PHE HD2 H 1 6.774 0.008 . 3 . . . . 98 F QD . 16016 1 1053 . 1 1 98 98 PHE HE1 H 1 7.043 0.008 . 3 . . . . 98 F QE . 16016 1 1054 . 1 1 98 98 PHE HE2 H 1 7.043 0.008 . 3 . . . . 98 F QE . 16016 1 1055 . 1 1 98 98 PHE HZ H 1 6.825 0.008 . 1 . . . . 98 F HZ . 16016 1 1056 . 1 1 98 98 PHE CA C 13 56.029 0.200 . 1 . . . . 98 F CA . 16016 1 1057 . 1 1 98 98 PHE CB C 13 41.239 0.200 . 1 . . . . 98 F CB . 16016 1 1058 . 1 1 98 98 PHE CD1 C 13 132.296 0.200 . 3 . . . . 98 F CD1 . 16016 1 1059 . 1 1 98 98 PHE CE1 C 13 130.265 0.200 . 3 . . . . 98 F CE1 . 16016 1 1060 . 1 1 98 98 PHE CZ C 13 128.878 0.200 . 1 . . . . 98 F CZ . 16016 1 1061 . 1 1 98 98 PHE N N 15 109.729 0.150 . 1 . . . . 98 F N . 16016 1 1062 . 1 1 99 99 LYS H H 1 9.478 0.008 . 1 . . . . 99 K H . 16016 1 1063 . 1 1 99 99 LYS HA H 1 5.704 0.008 . 1 . . . . 99 K HA . 16016 1 1064 . 1 1 99 99 LYS HB2 H 1 1.496 0.008 . 2 . . . . 99 K HB2 . 16016 1 1065 . 1 1 99 99 LYS HB3 H 1 1.458 0.008 . 2 . . . . 99 K HB3 . 16016 1 1066 . 1 1 99 99 LYS HG2 H 1 1.013 0.008 . 2 . . . . 99 K HG2 . 16016 1 1067 . 1 1 99 99 LYS HG3 H 1 1.286 0.008 . 2 . . . . 99 K HG3 . 16016 1 1068 . 1 1 99 99 LYS CA C 13 54.279 0.200 . 1 . . . . 99 K CA . 16016 1 1069 . 1 1 99 99 LYS CB C 13 36.879 0.200 . 1 . . . . 99 K CB . 16016 1 1070 . 1 1 99 99 LYS CG C 13 25.587 0.200 . 1 . . . . 99 K CG . 16016 1 1071 . 1 1 99 99 LYS N N 15 118.009 0.150 . 1 . . . . 99 K N . 16016 1 1072 . 1 1 100 100 MET H H 1 9.766 0.008 . 1 . . . . 100 M H . 16016 1 1073 . 1 1 100 100 MET HA H 1 5.715 0.008 . 1 . . . . 100 M HA . 16016 1 1074 . 1 1 100 100 MET HB2 H 1 1.802 0.008 . 2 . . . . 100 M HB2 . 16016 1 1075 . 1 1 100 100 MET HB3 H 1 1.950 0.008 . 2 . . . . 100 M HB3 . 16016 1 1076 . 1 1 100 100 MET HE1 H 1 1.714 0.008 . 1 . . . . 100 M QE . 16016 1 1077 . 1 1 100 100 MET HE2 H 1 1.714 0.008 . 1 . . . . 100 M QE . 16016 1 1078 . 1 1 100 100 MET HE3 H 1 1.714 0.008 . 1 . . . . 100 M QE . 16016 1 1079 . 1 1 100 100 MET HG2 H 1 2.361 0.008 . 2 . . . . 100 M HG2 . 16016 1 1080 . 1 1 100 100 MET HG3 H 1 2.328 0.008 . 2 . . . . 100 M HG3 . 16016 1 1081 . 1 1 100 100 MET CA C 13 53.879 0.200 . 1 . . . . 100 M CA . 16016 1 1082 . 1 1 100 100 MET CB C 13 37.409 0.200 . 1 . . . . 100 M CB . 16016 1 1083 . 1 1 100 100 MET CE C 13 16.327 0.200 . 1 . . . . 100 M CE . 16016 1 1084 . 1 1 100 100 MET CG C 13 30.117 0.200 . 1 . . . . 100 M CG . 16016 1 1085 . 1 1 100 100 MET N N 15 119.409 0.150 . 1 . . . . 100 M N . 16016 1 1086 . 1 1 101 101 GLU H H 1 9.077 0.008 . 1 . . . . 101 E H . 16016 1 1087 . 1 1 101 101 GLU HA H 1 4.998 0.008 . 1 . . . . 101 E HA . 16016 1 1088 . 1 1 101 101 GLU HB2 H 1 1.962 0.008 . 2 . . . . 101 E HB2 . 16016 1 1089 . 1 1 101 101 GLU HB3 H 1 1.998 0.008 . 2 . . . . 101 E HB3 . 16016 1 1090 . 1 1 101 101 GLU HG2 H 1 2.276 0.008 . 2 . . . . 101 E HG2 . 16016 1 1091 . 1 1 101 101 GLU HG3 H 1 2.173 0.008 . 2 . . . . 101 E HG3 . 16016 1 1092 . 1 1 101 101 GLU CA C 13 55.309 0.200 . 1 . . . . 101 E CA . 16016 1 1093 . 1 1 101 101 GLU CB C 13 31.129 0.200 . 1 . . . . 101 E CB . 16016 1 1094 . 1 1 101 101 GLU CG C 13 36.887 0.200 . 1 . . . . 101 E CG . 16016 1 1095 . 1 1 101 101 GLU N N 15 124.269 0.150 . 1 . . . . 101 E N . 16016 1 1096 . 1 1 102 102 ILE H H 1 8.554 0.008 . 1 . . . . 102 I H . 16016 1 1097 . 1 1 102 102 ILE HA H 1 4.408 0.008 . 1 . . . . 102 I HA . 16016 1 1098 . 1 1 102 102 ILE HB H 1 2.249 0.008 . 1 . . . . 102 I HB . 16016 1 1099 . 1 1 102 102 ILE HD11 H 1 0.768 0.008 . 1 . . . . 102 I QD1 . 16016 1 1100 . 1 1 102 102 ILE HD12 H 1 0.768 0.008 . 1 . . . . 102 I QD1 . 16016 1 1101 . 1 1 102 102 ILE HD13 H 1 0.768 0.008 . 1 . . . . 102 I QD1 . 16016 1 1102 . 1 1 102 102 ILE HG12 H 1 1.500 0.008 . 2 . . . . 102 I HG12 . 16016 1 1103 . 1 1 102 102 ILE HG13 H 1 0.999 0.008 . 2 . . . . 102 I HG13 . 16016 1 1104 . 1 1 102 102 ILE HG21 H 1 0.829 0.008 . 1 . . . . 102 I QG2 . 16016 1 1105 . 1 1 102 102 ILE HG22 H 1 0.829 0.008 . 1 . . . . 102 I QG2 . 16016 1 1106 . 1 1 102 102 ILE HG23 H 1 0.829 0.008 . 1 . . . . 102 I QG2 . 16016 1 1107 . 1 1 102 102 ILE CA C 13 61.929 0.200 . 1 . . . . 102 I CA . 16016 1 1108 . 1 1 102 102 ILE CB C 13 38.369 0.200 . 1 . . . . 102 I CB . 16016 1 1109 . 1 1 102 102 ILE CD1 C 13 14.645 0.200 . 1 . . . . 102 I CD1 . 16016 1 1110 . 1 1 102 102 ILE CG1 C 13 26.113 0.200 . 1 . . . . 102 I CG1 . 16016 1 1111 . 1 1 102 102 ILE CG2 C 13 18.950 0.200 . 1 . . . . 102 I CG2 . 16016 1 1112 . 1 1 102 102 ILE N N 15 123.519 0.150 . 1 . . . . 102 I N . 16016 1 1113 . 1 1 103 103 SER H H 1 7.994 0.008 . 1 . . . . 103 S H . 16016 1 1114 . 1 1 103 103 SER HA H 1 4.561 0.008 . 1 . . . . 103 S HA . 16016 1 1115 . 1 1 103 103 SER HB2 H 1 3.711 0.008 . 2 . . . . 103 S HB2 . 16016 1 1116 . 1 1 103 103 SER HB3 H 1 3.833 0.008 . 2 . . . . 103 S HB3 . 16016 1 1117 . 1 1 103 103 SER CA C 13 59.159 0.200 . 1 . . . . 103 S CA . 16016 1 1118 . 1 1 103 103 SER CB C 13 65.029 0.200 . 1 . . . . 103 S CB . 16016 1 1119 . 1 1 103 103 SER N N 15 117.799 0.150 . 1 . . . . 103 S N . 16016 1 1120 . 1 1 104 104 ASP H H 1 9.712 0.008 . 1 . . . . 104 D H . 16016 1 1121 . 1 1 104 104 ASP HA H 1 4.832 0.008 . 1 . . . . 104 D HA . 16016 1 1122 . 1 1 104 104 ASP HB2 H 1 2.694 0.008 . 2 . . . . 104 D HB2 . 16016 1 1123 . 1 1 104 104 ASP HB3 H 1 2.498 0.008 . 2 . . . . 104 D HB3 . 16016 1 1124 . 1 1 104 104 ASP CA C 13 53.449 0.200 . 1 . . . . 104 D CA . 16016 1 1125 . 1 1 104 104 ASP CB C 13 41.719 0.200 . 1 . . . . 104 D CB . 16016 1 1126 . 1 1 104 104 ASP N N 15 124.799 0.150 . 1 . . . . 104 D N . 16016 1 1127 . 1 1 105 105 GLU H H 1 9.126 0.008 . 1 . . . . 105 E H . 16016 1 1128 . 1 1 105 105 GLU HA H 1 3.838 0.008 . 1 . . . . 105 E HA . 16016 1 1129 . 1 1 105 105 GLU HB2 H 1 2.089 0.008 . 2 . . . . 105 E HB2 . 16016 1 1130 . 1 1 105 105 GLU HB3 H 1 2.041 0.008 . 2 . . . . 105 E HB3 . 16016 1 1131 . 1 1 105 105 GLU HG2 H 1 2.260 0.008 . 2 . . . . 105 E QG . 16016 1 1132 . 1 1 105 105 GLU HG3 H 1 2.260 0.008 . 2 . . . . 105 E QG . 16016 1 1133 . 1 1 105 105 GLU CA C 13 59.139 0.200 . 1 . . . . 105 E CA . 16016 1 1134 . 1 1 105 105 GLU CB C 13 29.399 0.200 . 1 . . . . 105 E CB . 16016 1 1135 . 1 1 105 105 GLU CG C 13 36.938 0.200 . 1 . . . . 105 E CG . 16016 1 1136 . 1 1 105 105 GLU N N 15 124.759 0.150 . 1 . . . . 105 E N . 16016 1 1137 . 1 1 106 106 GLY H H 1 8.868 0.008 . 1 . . . . 106 G H . 16016 1 1138 . 1 1 106 106 GLY HA2 H 1 3.941 0.008 . 2 . . . . 106 G QA . 16016 1 1139 . 1 1 106 106 GLY HA3 H 1 3.941 0.008 . 2 . . . . 106 G QA . 16016 1 1140 . 1 1 106 106 GLY CA C 13 46.949 0.200 . 1 . . . . 106 G CA . 16016 1 1141 . 1 1 106 106 GLY N N 15 110.239 0.150 . 1 . . . . 106 G N . 16016 1 1142 . 1 1 107 107 GLU H H 1 7.711 0.008 . 1 . . . . 107 E H . 16016 1 1143 . 1 1 107 107 GLU HA H 1 4.124 0.008 . 1 . . . . 107 E HA . 16016 1 1144 . 1 1 107 107 GLU HB2 H 1 2.042 0.008 . 2 . . . . 107 E HB2 . 16016 1 1145 . 1 1 107 107 GLU HB3 H 1 2.445 0.008 . 2 . . . . 107 E HB3 . 16016 1 1146 . 1 1 107 107 GLU HG2 H 1 2.218 0.008 . 2 . . . . 107 E QG . 16016 1 1147 . 1 1 107 107 GLU HG3 H 1 2.218 0.008 . 2 . . . . 107 E QG . 16016 1 1148 . 1 1 107 107 GLU CA C 13 57.499 0.200 . 1 . . . . 107 E CA . 16016 1 1149 . 1 1 107 107 GLU CB C 13 31.849 0.200 . 1 . . . . 107 E CB . 16016 1 1150 . 1 1 107 107 GLU CG C 13 36.612 0.200 . 1 . . . . 107 E CG . 16016 1 1151 . 1 1 107 107 GLU N N 15 118.579 0.150 . 1 . . . . 107 E N . 16016 1 1152 . 1 1 108 108 LEU H H 1 7.564 0.008 . 1 . . . . 108 L H . 16016 1 1153 . 1 1 108 108 LEU HA H 1 3.919 0.008 . 1 . . . . 108 L HA . 16016 1 1154 . 1 1 108 108 LEU HB2 H 1 1.941 0.008 . 2 . . . . 108 L HB2 . 16016 1 1155 . 1 1 108 108 LEU HB3 H 1 1.472 0.008 . 2 . . . . 108 L HB3 . 16016 1 1156 . 1 1 108 108 LEU HD11 H 1 0.989 0.008 . 1 . . . . 108 L QD1 . 16016 1 1157 . 1 1 108 108 LEU HD12 H 1 0.989 0.008 . 1 . . . . 108 L QD1 . 16016 1 1158 . 1 1 108 108 LEU HD13 H 1 0.989 0.008 . 1 . . . . 108 L QD1 . 16016 1 1159 . 1 1 108 108 LEU HD21 H 1 0.836 0.008 . 1 . . . . 108 L QD2 . 16016 1 1160 . 1 1 108 108 LEU HD22 H 1 0.836 0.008 . 1 . . . . 108 L QD2 . 16016 1 1161 . 1 1 108 108 LEU HD23 H 1 0.836 0.008 . 1 . . . . 108 L QD2 . 16016 1 1162 . 1 1 108 108 LEU HG H 1 1.715 0.008 . 1 . . . . 108 L HG . 16016 1 1163 . 1 1 108 108 LEU CA C 13 57.299 0.200 . 1 . . . . 108 L CA . 16016 1 1164 . 1 1 108 108 LEU CB C 13 41.769 0.200 . 1 . . . . 108 L CB . 16016 1 1165 . 1 1 108 108 LEU CD1 C 13 25.300 0.200 . 2 . . . . 108 L CD1 . 16016 1 1166 . 1 1 108 108 LEU CD2 C 13 24.541 0.200 . 2 . . . . 108 L CD2 . 16016 1 1167 . 1 1 108 108 LEU CG C 13 27.710 0.200 . 1 . . . . 108 L CG . 16016 1 1168 . 1 1 108 108 LEU N N 15 116.316 0.150 . 1 . . . . 108 L N . 16016 1 1169 . 1 1 109 109 GLU H H 1 7.252 0.008 . 1 . . . . 109 E H . 16016 1 1170 . 1 1 109 109 GLU HA H 1 4.060 0.008 . 1 . . . . 109 E HA . 16016 1 1171 . 1 1 109 109 GLU HB2 H 1 2.049 0.008 . 2 . . . . 109 E HB2 . 16016 1 1172 . 1 1 109 109 GLU HB3 H 1 2.141 0.008 . 2 . . . . 109 E HB3 . 16016 1 1173 . 1 1 109 109 GLU HG2 H 1 2.326 0.008 . 2 . . . . 109 E HG2 . 16016 1 1174 . 1 1 109 109 GLU HG3 H 1 2.401 0.008 . 2 . . . . 109 E HG3 . 16016 1 1175 . 1 1 109 109 GLU CA C 13 58.529 0.200 . 1 . . . . 109 E CA . 16016 1 1176 . 1 1 109 109 GLU CB C 13 29.609 0.200 . 1 . . . . 109 E CB . 16016 1 1177 . 1 1 109 109 GLU CG C 13 35.946 0.200 . 1 . . . . 109 E CG . 16016 1 1178 . 1 1 109 109 GLU N N 15 116.489 0.150 . 1 . . . . 109 E N . 16016 1 1179 . 1 1 110 110 ASP H H 1 7.373 0.008 . 1 . . . . 110 D H . 16016 1 1180 . 1 1 110 110 ASP HA H 1 4.733 0.008 . 1 . . . . 110 D HA . 16016 1 1181 . 1 1 110 110 ASP HB2 H 1 2.672 0.008 . 2 . . . . 110 D QB . 16016 1 1182 . 1 1 110 110 ASP HB3 H 1 2.672 0.008 . 2 . . . . 110 D QB . 16016 1 1183 . 1 1 110 110 ASP CA C 13 53.999 0.200 . 1 . . . . 110 D CA . 16016 1 1184 . 1 1 110 110 ASP CB C 13 41.299 0.200 . 1 . . . . 110 D CB . 16016 1 1185 . 1 1 110 110 ASP N N 15 115.309 0.150 . 1 . . . . 110 D N . 16016 1 1186 . 1 1 111 111 LEU H H 1 7.138 0.008 . 1 . . . . 111 L H . 16016 1 1187 . 1 1 111 111 LEU HA H 1 4.520 0.008 . 1 . . . . 111 L HA . 16016 1 1188 . 1 1 111 111 LEU HB2 H 1 1.723 0.008 . 2 . . . . 111 L HB2 . 16016 1 1189 . 1 1 111 111 LEU HB3 H 1 1.672 0.008 . 2 . . . . 111 L HB3 . 16016 1 1190 . 1 1 111 111 LEU HD11 H 1 0.751 0.008 . 1 . . . . 111 L QD1 . 16016 1 1191 . 1 1 111 111 LEU HD12 H 1 0.751 0.008 . 1 . . . . 111 L QD1 . 16016 1 1192 . 1 1 111 111 LEU HD13 H 1 0.751 0.008 . 1 . . . . 111 L QD1 . 16016 1 1193 . 1 1 111 111 LEU HD21 H 1 0.822 0.008 . 1 . . . . 111 L QD2 . 16016 1 1194 . 1 1 111 111 LEU HD22 H 1 0.822 0.008 . 1 . . . . 111 L QD2 . 16016 1 1195 . 1 1 111 111 LEU HD23 H 1 0.822 0.008 . 1 . . . . 111 L QD2 . 16016 1 1196 . 1 1 111 111 LEU HG H 1 1.789 0.008 . 1 . . . . 111 L HG . 16016 1 1197 . 1 1 111 111 LEU CA C 13 54.829 0.200 . 1 . . . . 111 L CA . 16016 1 1198 . 1 1 111 111 LEU CB C 13 42.880 0.200 . 1 . . . . 111 L CB . 16016 1 1199 . 1 1 111 111 LEU CD1 C 13 23.809 0.200 . 2 . . . . 111 L CD1 . 16016 1 1200 . 1 1 111 111 LEU CD2 C 13 26.351 0.200 . 2 . . . . 111 L CD2 . 16016 1 1201 . 1 1 111 111 LEU CG C 13 28.018 0.200 . 1 . . . . 111 L CG . 16016 1 1202 . 1 1 111 111 LEU N N 15 118.859 0.150 . 1 . . . . 111 L N . 16016 1 1203 . 1 1 112 112 LEU H H 1 9.276 0.008 . 1 . . . . 112 L H . 16016 1 1204 . 1 1 112 112 LEU HA H 1 4.653 0.008 . 1 . . . . 112 L HA . 16016 1 1205 . 1 1 112 112 LEU HB2 H 1 1.701 0.008 . 2 . . . . 112 L HB2 . 16016 1 1206 . 1 1 112 112 LEU HB3 H 1 1.793 0.008 . 2 . . . . 112 L HB3 . 16016 1 1207 . 1 1 112 112 LEU HD11 H 1 0.686 0.008 . 1 . . . . 112 L QD1 . 16016 1 1208 . 1 1 112 112 LEU HD12 H 1 0.686 0.008 . 1 . . . . 112 L QD1 . 16016 1 1209 . 1 1 112 112 LEU HD13 H 1 0.686 0.008 . 1 . . . . 112 L QD1 . 16016 1 1210 . 1 1 112 112 LEU HD21 H 1 0.720 0.008 . 1 . . . . 112 L QD2 . 16016 1 1211 . 1 1 112 112 LEU HD22 H 1 0.720 0.008 . 1 . . . . 112 L QD2 . 16016 1 1212 . 1 1 112 112 LEU HD23 H 1 0.720 0.008 . 1 . . . . 112 L QD2 . 16016 1 1213 . 1 1 112 112 LEU HG H 1 1.741 0.008 . 1 . . . . 112 L HG . 16016 1 1214 . 1 1 112 112 LEU CA C 13 54.899 0.200 . 1 . . . . 112 L CA . 16016 1 1215 . 1 1 112 112 LEU CB C 13 44.139 0.200 . 1 . . . . 112 L CB . 16016 1 1216 . 1 1 112 112 LEU CD1 C 13 25.313 0.200 . 2 . . . . 112 L CD1 . 16016 1 1217 . 1 1 112 112 LEU CD2 C 13 23.621 0.200 . 2 . . . . 112 L CD2 . 16016 1 1218 . 1 1 112 112 LEU CG C 13 27.944 0.200 . 1 . . . . 112 L CG . 16016 1 1219 . 1 1 112 112 LEU N N 15 121.049 0.150 . 1 . . . . 112 L N . 16016 1 1220 . 1 1 113 113 ASP H H 1 8.250 0.008 . 1 . . . . 113 D H . 16016 1 1221 . 1 1 113 113 ASP HA H 1 5.095 0.008 . 1 . . . . 113 D HA . 16016 1 1222 . 1 1 113 113 ASP HB2 H 1 2.931 0.008 . 2 . . . . 113 D HB2 . 16016 1 1223 . 1 1 113 113 ASP HB3 H 1 3.256 0.008 . 2 . . . . 113 D HB3 . 16016 1 1224 . 1 1 113 113 ASP CA C 13 52.809 0.200 . 1 . . . . 113 D CA . 16016 1 1225 . 1 1 113 113 ASP CB C 13 41.479 0.200 . 1 . . . . 113 D CB . 16016 1 1226 . 1 1 113 113 ASP N N 15 119.389 0.150 . 1 . . . . 113 D N . 16016 1 1227 . 1 1 114 114 GLU H H 1 8.829 0.008 . 1 . . . . 114 E H . 16016 1 1228 . 1 1 114 114 GLU HA H 1 3.908 0.008 . 1 . . . . 114 E HA . 16016 1 1229 . 1 1 114 114 GLU HB2 H 1 2.395 0.008 . 2 . . . . 114 E HB2 . 16016 1 1230 . 1 1 114 114 GLU HB3 H 1 2.203 0.008 . 2 . . . . 114 E HB3 . 16016 1 1231 . 1 1 114 114 GLU HG2 H 1 2.307 0.008 . 2 . . . . 114 E QG . 16016 1 1232 . 1 1 114 114 GLU HG3 H 1 2.307 0.008 . 2 . . . . 114 E QG . 16016 1 1233 . 1 1 114 114 GLU CA C 13 61.009 0.200 . 1 . . . . 114 E CA . 16016 1 1234 . 1 1 114 114 GLU CB C 13 30.289 0.200 . 1 . . . . 114 E CB . 16016 1 1235 . 1 1 114 114 GLU CG C 13 36.115 0.200 . 1 . . . . 114 E CG . 16016 1 1236 . 1 1 114 114 GLU N N 15 118.999 0.150 . 1 . . . . 114 E N . 16016 1 1237 . 1 1 115 115 GLN H H 1 8.397 0.008 . 1 . . . . 115 Q H . 16016 1 1238 . 1 1 115 115 GLN HA H 1 4.060 0.008 . 1 . . . . 115 Q HA . 16016 1 1239 . 1 1 115 115 GLN HB2 H 1 2.111 0.008 . 2 . . . . 115 Q HB2 . 16016 1 1240 . 1 1 115 115 GLN HB3 H 1 2.215 0.008 . 2 . . . . 115 Q HB3 . 16016 1 1241 . 1 1 115 115 GLN HE21 H 1 7.388 0.008 . 2 . . . . 115 Q HE21 . 16016 1 1242 . 1 1 115 115 GLN HE22 H 1 6.727 0.008 . 2 . . . . 115 Q HE22 . 16016 1 1243 . 1 1 115 115 GLN HG2 H 1 2.442 0.008 . 2 . . . . 115 Q QG . 16016 1 1244 . 1 1 115 115 GLN HG3 H 1 2.442 0.008 . 2 . . . . 115 Q QG . 16016 1 1245 . 1 1 115 115 GLN CA C 13 59.419 0.200 . 1 . . . . 115 Q CA . 16016 1 1246 . 1 1 115 115 GLN CB C 13 27.909 0.200 . 1 . . . . 115 Q CB . 16016 1 1247 . 1 1 115 115 GLN CG C 13 33.998 0.200 . 1 . . . . 115 Q CG . 16016 1 1248 . 1 1 115 115 GLN N N 15 118.549 0.150 . 1 . . . . 115 Q N . 16016 1 1249 . 1 1 115 115 GLN NE2 N 15 112.073 0.150 . 1 . . . . 115 Q NE2 . 16016 1 1250 . 1 1 116 116 ALA H H 1 8.222 0.008 . 1 . . . . 116 A H . 16016 1 1251 . 1 1 116 116 ALA HA H 1 4.268 0.008 . 1 . . . . 116 A HA . 16016 1 1252 . 1 1 116 116 ALA HB1 H 1 1.623 0.008 . 1 . . . . 116 A QB . 16016 1 1253 . 1 1 116 116 ALA HB2 H 1 1.623 0.008 . 1 . . . . 116 A QB . 16016 1 1254 . 1 1 116 116 ALA HB3 H 1 1.623 0.008 . 1 . . . . 116 A QB . 16016 1 1255 . 1 1 116 116 ALA CA C 13 54.719 0.200 . 1 . . . . 116 A CA . 16016 1 1256 . 1 1 116 116 ALA CB C 13 18.999 0.200 . 1 . . . . 116 A CB . 16016 1 1257 . 1 1 116 116 ALA N N 15 122.439 0.150 . 1 . . . . 116 A N . 16016 1 1258 . 1 1 117 117 TYR H H 1 8.953 0.008 . 1 . . . . 117 Y H . 16016 1 1259 . 1 1 117 117 TYR HA H 1 4.246 0.008 . 1 . . . . 117 Y HA . 16016 1 1260 . 1 1 117 117 TYR HB2 H 1 2.703 0.008 . 2 . . . . 117 Y HB2 . 16016 1 1261 . 1 1 117 117 TYR HB3 H 1 2.504 0.008 . 2 . . . . 117 Y HB3 . 16016 1 1262 . 1 1 117 117 TYR HD1 H 1 6.564 0.008 . 3 . . . . 117 Y QD . 16016 1 1263 . 1 1 117 117 TYR HD2 H 1 6.564 0.008 . 3 . . . . 117 Y QD . 16016 1 1264 . 1 1 117 117 TYR HE1 H 1 6.952 0.008 . 3 . . . . 117 Y QE . 16016 1 1265 . 1 1 117 117 TYR HE2 H 1 6.952 0.008 . 3 . . . . 117 Y QE . 16016 1 1266 . 1 1 117 117 TYR CA C 13 61.969 0.200 . 1 . . . . 117 Y CA . 16016 1 1267 . 1 1 117 117 TYR CB C 13 38.559 0.200 . 1 . . . . 117 Y CB . 16016 1 1268 . 1 1 117 117 TYR CD1 C 13 132.780 0.200 . 3 . . . . 117 Y CD1 . 16016 1 1269 . 1 1 117 117 TYR CE1 C 13 119.580 0.200 . 3 . . . . 117 Y CE1 . 16016 1 1270 . 1 1 117 117 TYR N N 15 121.379 0.150 . 1 . . . . 117 Y N . 16016 1 1271 . 1 1 118 118 GLN H H 1 8.351 0.008 . 1 . . . . 118 Q H . 16016 1 1272 . 1 1 118 118 GLN HA H 1 3.724 0.008 . 1 . . . . 118 Q HA . 16016 1 1273 . 1 1 118 118 GLN HB2 H 1 2.108 0.008 . 2 . . . . 118 Q HB2 . 16016 1 1274 . 1 1 118 118 GLN HB3 H 1 2.210 0.008 . 2 . . . . 118 Q HB3 . 16016 1 1275 . 1 1 118 118 GLN HE21 H 1 6.782 0.008 . 2 . . . . 118 Q HE21 . 16016 1 1276 . 1 1 118 118 GLN HE22 H 1 7.691 0.008 . 2 . . . . 118 Q HE22 . 16016 1 1277 . 1 1 118 118 GLN HG2 H 1 2.574 0.008 . 2 . . . . 118 Q HG2 . 16016 1 1278 . 1 1 118 118 GLN HG3 H 1 2.443 0.008 . 2 . . . . 118 Q HG3 . 16016 1 1279 . 1 1 118 118 GLN CA C 13 59.559 0.200 . 1 . . . . 118 Q CA . 16016 1 1280 . 1 1 118 118 GLN CB C 13 27.609 0.200 . 1 . . . . 118 Q CB . 16016 1 1281 . 1 1 118 118 GLN CG C 13 33.796 0.200 . 1 . . . . 118 Q CG . 16016 1 1282 . 1 1 118 118 GLN N N 15 120.199 0.150 . 1 . . . . 118 Q N . 16016 1 1283 . 1 1 118 118 GLN NE2 N 15 112.307 0.150 . 1 . . . . 118 Q NE2 . 16016 1 1284 . 1 1 119 119 GLU H H 1 7.946 0.008 . 1 . . . . 119 E H . 16016 1 1285 . 1 1 119 119 GLU HA H 1 3.970 0.008 . 1 . . . . 119 E HA . 16016 1 1286 . 1 1 119 119 GLU HB2 H 1 2.093 0.008 . 2 . . . . 119 E QB . 16016 1 1287 . 1 1 119 119 GLU HB3 H 1 2.093 0.008 . 2 . . . . 119 E QB . 16016 1 1288 . 1 1 119 119 GLU HG2 H 1 2.249 0.008 . 2 . . . . 119 E QG . 16016 1 1289 . 1 1 119 119 GLU HG3 H 1 2.249 0.008 . 2 . . . . 119 E QG . 16016 1 1290 . 1 1 119 119 GLU CA C 13 59.459 0.200 . 1 . . . . 119 E CA . 16016 1 1291 . 1 1 119 119 GLU CB C 13 29.419 0.200 . 1 . . . . 119 E CB . 16016 1 1292 . 1 1 119 119 GLU CG C 13 36.349 0.200 . 1 . . . . 119 E CG . 16016 1 1293 . 1 1 119 119 GLU N N 15 119.349 0.150 . 1 . . . . 119 E N . 16016 1 1294 . 1 1 120 120 PHE H H 1 8.154 0.008 . 1 . . . . 120 F H . 16016 1 1295 . 1 1 120 120 PHE HA H 1 4.288 0.008 . 1 . . . . 120 F HA . 16016 1 1296 . 1 1 120 120 PHE HB2 H 1 3.276 0.008 . 2 . . . . 120 F HB2 . 16016 1 1297 . 1 1 120 120 PHE HB3 H 1 3.172 0.008 . 2 . . . . 120 F HB3 . 16016 1 1298 . 1 1 120 120 PHE HD1 H 1 7.176 0.008 . 3 . . . . 120 F QD . 16016 1 1299 . 1 1 120 120 PHE HD2 H 1 7.176 0.008 . 3 . . . . 120 F QD . 16016 1 1300 . 1 1 120 120 PHE HE1 H 1 7.278 0.008 . 3 . . . . 120 F QE . 16016 1 1301 . 1 1 120 120 PHE HE2 H 1 7.278 0.008 . 3 . . . . 120 F QE . 16016 1 1302 . 1 1 120 120 PHE HZ H 1 7.422 0.008 . 1 . . . . 120 F HZ . 16016 1 1303 . 1 1 120 120 PHE CA C 13 60.789 0.200 . 1 . . . . 120 F CA . 16016 1 1304 . 1 1 120 120 PHE CB C 13 39.079 0.200 . 1 . . . . 120 F CB . 16016 1 1305 . 1 1 120 120 PHE CD1 C 13 131.400 0.200 . 3 . . . . 120 F CD1 . 16016 1 1306 . 1 1 120 120 PHE CE1 C 13 131.491 0.200 . 3 . . . . 120 F CE1 . 16016 1 1307 . 1 1 120 120 PHE CZ C 13 130.570 0.200 . 1 . . . . 120 F CZ . 16016 1 1308 . 1 1 120 120 PHE N N 15 121.559 0.150 . 1 . . . . 120 F N . 16016 1 1309 . 1 1 121 121 CYS H H 1 7.973 0.008 . 1 . . . . 121 C H . 16016 1 1310 . 1 1 121 121 CYS HA H 1 3.592 0.008 . 1 . . . . 121 C HA . 16016 1 1311 . 1 1 121 121 CYS HB2 H 1 2.568 0.008 . 2 . . . . 121 C HB2 . 16016 1 1312 . 1 1 121 121 CYS HB3 H 1 2.023 0.008 . 2 . . . . 121 C HB3 . 16016 1 1313 . 1 1 121 121 CYS CA C 13 62.969 0.200 . 1 . . . . 121 C CA . 16016 1 1314 . 1 1 121 121 CYS CB C 13 27.129 0.200 . 1 . . . . 121 C CB . 16016 1 1315 . 1 1 121 121 CYS N N 15 115.919 0.150 . 1 . . . . 121 C N . 16016 1 1316 . 1 1 122 122 ALA H H 1 7.304 0.008 . 1 . . . . 122 A H . 16016 1 1317 . 1 1 122 122 ALA HA H 1 4.171 0.008 . 1 . . . . 122 A HA . 16016 1 1318 . 1 1 122 122 ALA HB1 H 1 1.414 0.008 . 1 . . . . 122 A QB . 16016 1 1319 . 1 1 122 122 ALA HB2 H 1 1.414 0.008 . 1 . . . . 122 A QB . 16016 1 1320 . 1 1 122 122 ALA HB3 H 1 1.414 0.008 . 1 . . . . 122 A QB . 16016 1 1321 . 1 1 122 122 ALA CA C 13 53.069 0.200 . 1 . . . . 122 A CA . 16016 1 1322 . 1 1 122 122 ALA CB C 13 18.639 0.200 . 1 . . . . 122 A CB . 16016 1 1323 . 1 1 122 122 ALA N N 15 120.399 0.150 . 1 . . . . 122 A N . 16016 1 1324 . 1 1 123 123 GLN H H 1 7.315 0.008 . 1 . . . . 123 Q H . 16016 1 1325 . 1 1 123 123 GLN HA H 1 4.275 0.008 . 1 . . . . 123 Q HA . 16016 1 1326 . 1 1 123 123 GLN HB2 H 1 2.108 0.008 . 2 . . . . 123 Q HB2 . 16016 1 1327 . 1 1 123 123 GLN HB3 H 1 1.992 0.008 . 2 . . . . 123 Q HB3 . 16016 1 1328 . 1 1 123 123 GLN HE21 H 1 6.696 0.008 . 2 . . . . 123 Q HE21 . 16016 1 1329 . 1 1 123 123 GLN HE22 H 1 7.399 0.008 . 2 . . . . 123 Q HE22 . 16016 1 1330 . 1 1 123 123 GLN HG2 H 1 2.371 0.008 . 2 . . . . 123 Q HG2 . 16016 1 1331 . 1 1 123 123 GLN HG3 H 1 2.449 0.008 . 2 . . . . 123 Q HG3 . 16016 1 1332 . 1 1 123 123 GLN CA C 13 55.709 0.200 . 1 . . . . 123 Q CA . 16016 1 1333 . 1 1 123 123 GLN CB C 13 29.359 0.200 . 1 . . . . 123 Q CB . 16016 1 1334 . 1 1 123 123 GLN CG C 13 33.789 0.200 . 1 . . . . 123 Q CG . 16016 1 1335 . 1 1 123 123 GLN N N 15 116.779 0.150 . 1 . . . . 123 Q N . 16016 1 1336 . 1 1 123 123 GLN NE2 N 15 110.823 0.150 . 1 . . . . 123 Q NE2 . 16016 1 1337 . 1 1 124 124 GLU H H 1 7.461 0.008 . 1 . . . . 124 E H . 16016 1 1338 . 1 1 124 124 GLU HA H 1 3.976 0.008 . 1 . . . . 124 E HA . 16016 1 1339 . 1 1 124 124 GLU HB2 H 1 1.954 0.008 . 2 . . . . 124 E HB2 . 16016 1 1340 . 1 1 124 124 GLU HB3 H 1 1.788 0.008 . 2 . . . . 124 E HB3 . 16016 1 1341 . 1 1 124 124 GLU HG2 H 1 2.114 0.008 . 2 . . . . 124 E QG . 16016 1 1342 . 1 1 124 124 GLU HG3 H 1 2.114 0.008 . 2 . . . . 124 E QG . 16016 1 1343 . 1 1 124 124 GLU CA C 13 58.567 0.200 . 1 . . . . 124 E CA . 16016 1 1344 . 1 1 124 124 GLU CB C 13 30.933 0.200 . 1 . . . . 124 E CB . 16016 1 1345 . 1 1 124 124 GLU CG C 13 36.618 0.200 . 1 . . . . 124 E CG . 16016 1 1346 . 1 1 124 124 GLU N N 15 126.729 0.150 . 1 . . . . 124 E N . 16016 1 stop_ save_