data_15833 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15833 _Entry.Title ; NMR CHEMICAL SHIFT ASSIGNMENTS OF PUTATIVE UNCHARACTERIZED PROTEIN. FROM METHANOCALDOCOCCUS JANNASCHII, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET GsR195 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-27 _Entry.Accession_date 2008-06-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 GAOHUA LIU . . . 15833 2 LI ZHAO . . COLL 15833 3 COLLEEN CICCOSANTI . . . 15833 4 MEI JIANG . . . 15833 5 RONG XIAO . . . 15833 6 G.V.T SWAPNA . . . 15833 7 RAJESH NAIR . . . 15833 8 JOHN EVERETT . K. . 15833 9 THOMAS ACTON . B. . 15833 10 BURKHARD ROST . . . 15833 11 GAETANO Montelione . T. . 15833 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' 'Northeast Structural Genomics Consortium' . 15833 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15833 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 207 15833 '15N chemical shifts' 77 15833 '1H chemical shifts' 459 15833 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 4 . . 2010-05-27 2008-06-27 update BMRB 'update entity/assembly name' 15833 3 . . 2009-06-09 2008-06-27 update BMRB 'added time domain data' 15833 2 . . 2009-02-11 2008-06-27 update BMRB 'correct residue numbers in data tables' 15833 1 . . 2008-08-22 2008-06-27 original author 'original release' 15833 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15833 _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 N.A. _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 GAOHUA LIU . . . 15833 1 2 RONG XIAO . . . 15833 1 3 GAETANO Montelione . . . 15833 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15833 _Assembly.ID 1 _Assembly.Name GsR195 _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 GsR195 1 $entity A . yes native no no . . . 15833 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15833 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GsR195 _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 ; MTQKFTKDMTFAQALQTHPG VAGVLRSYNLGCIGCMGAQN ESLEQGANAHGLNVEDILRD LNALALEHHHHHHMTQKFTK DMTFAQALQTHPGVAGVLRS YNLGCIGCMGAQNESLEQGA NAHGLNVEDILRDLNALALE HHHHHH ; _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16006.114 _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 2K5E . "Solution Structure Of Putative Uncharacterized Protein Gsu1278 From Methanocaldococcus Jannaschii, Northeast Structural Genomic" . . . . . 50.00 73 100.00 100.00 9.41e-44 . . . . 15833 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 . 15833 1 2 . THR . 15833 1 3 . GLN . 15833 1 4 . LYS . 15833 1 5 . PHE . 15833 1 6 . THR . 15833 1 7 . LYS . 15833 1 8 . ASP . 15833 1 9 . MET . 15833 1 10 . THR . 15833 1 11 . PHE . 15833 1 12 . ALA . 15833 1 13 . GLN . 15833 1 14 . ALA . 15833 1 15 . LEU . 15833 1 16 . GLN . 15833 1 17 . THR . 15833 1 18 . HIS . 15833 1 19 . PRO . 15833 1 20 . GLY . 15833 1 21 . VAL . 15833 1 22 . ALA . 15833 1 23 . GLY . 15833 1 24 . VAL . 15833 1 25 . LEU . 15833 1 26 . ARG . 15833 1 27 . SER . 15833 1 28 . TYR . 15833 1 29 . ASN . 15833 1 30 . LEU . 15833 1 31 . GLY . 15833 1 32 . CYS . 15833 1 33 . ILE . 15833 1 34 . GLY . 15833 1 35 . CYS . 15833 1 36 . MET . 15833 1 37 . GLY . 15833 1 38 . ALA . 15833 1 39 . GLN . 15833 1 40 . ASN . 15833 1 41 . GLU . 15833 1 42 . SER . 15833 1 43 . LEU . 15833 1 44 . GLU . 15833 1 45 . GLN . 15833 1 46 . GLY . 15833 1 47 . ALA . 15833 1 48 . ASN . 15833 1 49 . ALA . 15833 1 50 . HIS . 15833 1 51 . GLY . 15833 1 52 . LEU . 15833 1 53 . ASN . 15833 1 54 . VAL . 15833 1 55 . GLU . 15833 1 56 . ASP . 15833 1 57 . ILE . 15833 1 58 . LEU . 15833 1 59 . ARG . 15833 1 60 . ASP . 15833 1 61 . LEU . 15833 1 62 . ASN . 15833 1 63 . ALA . 15833 1 64 . LEU . 15833 1 65 . ALA . 15833 1 66 . LEU . 15833 1 67 . GLU . 15833 1 68 . HIS . 15833 1 69 . HIS . 15833 1 70 . HIS . 15833 1 71 . HIS . 15833 1 72 . HIS . 15833 1 73 . HIS . 15833 1 74 . MET . 15833 1 75 . THR . 15833 1 76 . GLN . 15833 1 77 . LYS . 15833 1 78 . PHE . 15833 1 79 . THR . 15833 1 80 . LYS . 15833 1 81 . ASP . 15833 1 82 . MET . 15833 1 83 . THR . 15833 1 84 . PHE . 15833 1 85 . ALA . 15833 1 86 . GLN . 15833 1 87 . ALA . 15833 1 88 . LEU . 15833 1 89 . GLN . 15833 1 90 . THR . 15833 1 91 . HIS . 15833 1 92 . PRO . 15833 1 93 . GLY . 15833 1 94 . VAL . 15833 1 95 . ALA . 15833 1 96 . GLY . 15833 1 97 . VAL . 15833 1 98 . LEU . 15833 1 99 . ARG . 15833 1 100 . SER . 15833 1 101 . TYR . 15833 1 102 . ASN . 15833 1 103 . LEU . 15833 1 104 . GLY . 15833 1 105 . CYS . 15833 1 106 . ILE . 15833 1 107 . GLY . 15833 1 108 . CYS . 15833 1 109 . MET . 15833 1 110 . GLY . 15833 1 111 . ALA . 15833 1 112 . GLN . 15833 1 113 . ASN . 15833 1 114 . GLU . 15833 1 115 . SER . 15833 1 116 . LEU . 15833 1 117 . GLU . 15833 1 118 . GLN . 15833 1 119 . GLY . 15833 1 120 . ALA . 15833 1 121 . ASN . 15833 1 122 . ALA . 15833 1 123 . HIS . 15833 1 124 . GLY . 15833 1 125 . LEU . 15833 1 126 . ASN . 15833 1 127 . VAL . 15833 1 128 . GLU . 15833 1 129 . ASP . 15833 1 130 . ILE . 15833 1 131 . LEU . 15833 1 132 . ARG . 15833 1 133 . ASP . 15833 1 134 . LEU . 15833 1 135 . ASN . 15833 1 136 . ALA . 15833 1 137 . LEU . 15833 1 138 . ALA . 15833 1 139 . LEU . 15833 1 140 . GLU . 15833 1 141 . HIS . 15833 1 142 . HIS . 15833 1 143 . HIS . 15833 1 144 . HIS . 15833 1 145 . HIS . 15833 1 146 . HIS . 15833 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 15833 1 . THR 2 2 15833 1 . GLN 3 3 15833 1 . LYS 4 4 15833 1 . PHE 5 5 15833 1 . THR 6 6 15833 1 . LYS 7 7 15833 1 . ASP 8 8 15833 1 . MET 9 9 15833 1 . THR 10 10 15833 1 . PHE 11 11 15833 1 . ALA 12 12 15833 1 . GLN 13 13 15833 1 . ALA 14 14 15833 1 . LEU 15 15 15833 1 . GLN 16 16 15833 1 . THR 17 17 15833 1 . HIS 18 18 15833 1 . PRO 19 19 15833 1 . GLY 20 20 15833 1 . VAL 21 21 15833 1 . ALA 22 22 15833 1 . GLY 23 23 15833 1 . VAL 24 24 15833 1 . LEU 25 25 15833 1 . ARG 26 26 15833 1 . SER 27 27 15833 1 . TYR 28 28 15833 1 . ASN 29 29 15833 1 . LEU 30 30 15833 1 . GLY 31 31 15833 1 . CYS 32 32 15833 1 . ILE 33 33 15833 1 . GLY 34 34 15833 1 . CYS 35 35 15833 1 . MET 36 36 15833 1 . GLY 37 37 15833 1 . ALA 38 38 15833 1 . GLN 39 39 15833 1 . ASN 40 40 15833 1 . GLU 41 41 15833 1 . SER 42 42 15833 1 . LEU 43 43 15833 1 . GLU 44 44 15833 1 . GLN 45 45 15833 1 . GLY 46 46 15833 1 . ALA 47 47 15833 1 . ASN 48 48 15833 1 . ALA 49 49 15833 1 . HIS 50 50 15833 1 . GLY 51 51 15833 1 . LEU 52 52 15833 1 . ASN 53 53 15833 1 . VAL 54 54 15833 1 . GLU 55 55 15833 1 . ASP 56 56 15833 1 . ILE 57 57 15833 1 . LEU 58 58 15833 1 . ARG 59 59 15833 1 . ASP 60 60 15833 1 . LEU 61 61 15833 1 . ASN 62 62 15833 1 . ALA 63 63 15833 1 . LEU 64 64 15833 1 . ALA 65 65 15833 1 . LEU 66 66 15833 1 . GLU 67 67 15833 1 . HIS 68 68 15833 1 . HIS 69 69 15833 1 . HIS 70 70 15833 1 . HIS 71 71 15833 1 . HIS 72 72 15833 1 . HIS 73 73 15833 1 . MET 74 74 15833 1 . THR 75 75 15833 1 . GLN 76 76 15833 1 . LYS 77 77 15833 1 . PHE 78 78 15833 1 . THR 79 79 15833 1 . LYS 80 80 15833 1 . ASP 81 81 15833 1 . MET 82 82 15833 1 . THR 83 83 15833 1 . PHE 84 84 15833 1 . ALA 85 85 15833 1 . GLN 86 86 15833 1 . ALA 87 87 15833 1 . LEU 88 88 15833 1 . GLN 89 89 15833 1 . THR 90 90 15833 1 . HIS 91 91 15833 1 . PRO 92 92 15833 1 . GLY 93 93 15833 1 . VAL 94 94 15833 1 . ALA 95 95 15833 1 . GLY 96 96 15833 1 . VAL 97 97 15833 1 . LEU 98 98 15833 1 . ARG 99 99 15833 1 . SER 100 100 15833 1 . TYR 101 101 15833 1 . ASN 102 102 15833 1 . LEU 103 103 15833 1 . GLY 104 104 15833 1 . CYS 105 105 15833 1 . ILE 106 106 15833 1 . GLY 107 107 15833 1 . CYS 108 108 15833 1 . MET 109 109 15833 1 . GLY 110 110 15833 1 . ALA 111 111 15833 1 . GLN 112 112 15833 1 . ASN 113 113 15833 1 . GLU 114 114 15833 1 . SER 115 115 15833 1 . LEU 116 116 15833 1 . GLU 117 117 15833 1 . GLN 118 118 15833 1 . GLY 119 119 15833 1 . ALA 120 120 15833 1 . ASN 121 121 15833 1 . ALA 122 122 15833 1 . HIS 123 123 15833 1 . GLY 124 124 15833 1 . LEU 125 125 15833 1 . ASN 126 126 15833 1 . VAL 127 127 15833 1 . GLU 128 128 15833 1 . ASP 129 129 15833 1 . ILE 130 130 15833 1 . LEU 131 131 15833 1 . ARG 132 132 15833 1 . ASP 133 133 15833 1 . LEU 134 134 15833 1 . ASN 135 135 15833 1 . ALA 136 136 15833 1 . LEU 137 137 15833 1 . ALA 138 138 15833 1 . LEU 139 139 15833 1 . GLU 140 140 15833 1 . HIS 141 141 15833 1 . HIS 142 142 15833 1 . HIS 143 143 15833 1 . HIS 144 144 15833 1 . HIS 145 145 15833 1 . HIS 146 146 15833 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 15833 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 2190 organism . 'Methanococcus jannaschii' 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 15833 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 15833 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 15833 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15833 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10% D2O, 50 uM DSS and protease inhibitors added NMR buffer pH 4.5 ; _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.11 . . mM . . . . 15833 1 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15833 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15833 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15833 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15833 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NMR buffer pH 4.5,10% D2O, 50 uM DSS, 1x protease inhibitors.' _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 entity '[U-10% 13C; U-100% 15N]' . . 1 $entity . . 1.48 . . mM . . . . 15833 2 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15833 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15833 2 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15833 2 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 15833 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . pH 15833 1 pressure 1 . atm 15833 1 temperature 298 . K 15833 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15833 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15833 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15833 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15833 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15833 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15833 2 refinement 15833 2 'structure solution' 15833 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15833 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15833 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15833 3 'peak picking' 15833 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15833 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15833 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15833 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15833 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15833 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15833 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15833 _Software.ID 6 _Software.Name XEASY _Software.Version 1.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15833 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15833 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15833 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15833 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15833 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15833 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15833 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15833 8 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 15833 _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 15833 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15833 _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 . . . 15833 1 2 spectrometer_2 Varian INOVA . 600 . . . 15833 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 15833 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15833 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15833 1 3 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15833 1 4 '3D SIMULTANEOUS CN-NOESY' yes 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15833 1 5 '4,3D GFT CABCACONHN' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15833 1 6 '4,3D GFT HNNCABCA' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15833 1 7 '4,3D GFT HABCABCONHN' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15833 1 8 '3D HNCO' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15833 1 9 '3D CCH-COSY' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15833 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15833 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D SIMULTANEOUS CN-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15833/timedomain_data/15833_noesy_fid_GsR195/' . . . . . . . 15833 1 proc 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15833/timedomain_data/15833_noesy_fid_GsR195/pdata/1/' . . . . . . . 15833 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15833/timedomain_data/15833_noesy_fid_GsR195/' . . . . . . . 15833 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15833/timedomain_data/15833_noesy_fid_GsR195/' . . . . . . . 15833 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15833/timedomain_data/15833_noesy_fid_GsR195/' . . . . . . . 15833 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 15833 _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 . . . 1 $entry_citation . . 1 $entry_citation 15833 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15833 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15833 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 15833 _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 4 '3D SIMULTANEOUS CN-NOESY' . . . 15833 1 5 '4,3D GFT CABCACONHN' . . . 15833 1 6 '4,3D GFT HNNCABCA' . . . 15833 1 7 '4,3D GFT HABCABCONHN' . . . 15833 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 2 $CYANA . . 15833 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 THR HA H 1 3.83 . . 1 . . . . 2 THR HA . 15833 1 2 . 1 1 2 2 THR HB H 1 4.04 . . 1 . . . . 2 THR HB . 15833 1 3 . 1 1 2 2 THR HG21 H 1 1.26 . . 1 . . . . 2 THR HG2 . 15833 1 4 . 1 1 2 2 THR HG22 H 1 1.26 . . 1 . . . . 2 THR HG2 . 15833 1 5 . 1 1 2 2 THR HG23 H 1 1.26 . . 1 . . . . 2 THR HG2 . 15833 1 6 . 1 1 2 2 THR CA C 13 61.3 . . 1 . . . . 2 THR CA . 15833 1 7 . 1 1 2 2 THR CB C 13 68.9 . . 1 . . . . 2 THR CB . 15833 1 8 . 1 1 2 2 THR CG2 C 13 21.4 . . 1 . . . . 2 THR CG2 . 15833 1 9 . 1 1 3 3 GLN H H 1 8.74 . . 1 . . . . 3 GLN HN . 15833 1 10 . 1 1 3 3 GLN HA H 1 4.31 . . 1 . . . . 3 GLN HA . 15833 1 11 . 1 1 3 3 GLN HB2 H 1 2.00 . . 2 . . . . 3 GLN HB2 . 15833 1 12 . 1 1 3 3 GLN HB3 H 1 1.86 . . 2 . . . . 3 GLN HB3 . 15833 1 13 . 1 1 3 3 GLN HE21 H 1 6.86 . . 2 . . . . 3 GLN HE21 . 15833 1 14 . 1 1 3 3 GLN HE22 H 1 7.50 . . 2 . . . . 3 GLN HE22 . 15833 1 15 . 1 1 3 3 GLN HG2 H 1 2.25 . . 2 . . . . 3 GLN HG2 . 15833 1 16 . 1 1 3 3 GLN HG3 H 1 2.25 . . 2 . . . . 3 GLN HG3 . 15833 1 17 . 1 1 3 3 GLN CA C 13 55.6 . . 1 . . . . 3 GLN CA . 15833 1 18 . 1 1 3 3 GLN CB C 13 29.2 . . 1 . . . . 3 GLN CB . 15833 1 19 . 1 1 3 3 GLN CG C 13 33.5 . . 1 . . . . 3 GLN CG . 15833 1 20 . 1 1 3 3 GLN N N 15 124.8 . . 1 . . . . 3 GLN N . 15833 1 21 . 1 1 3 3 GLN NE2 N 15 112.4 . . 1 . . . . 3 GLN NE2 . 15833 1 22 . 1 1 4 4 LYS H H 1 8.27 . . 1 . . . . 4 LYS HN . 15833 1 23 . 1 1 4 4 LYS HA H 1 4.05 . . 1 . . . . 4 LYS HA . 15833 1 24 . 1 1 4 4 LYS HB2 H 1 1.63 . . 2 . . . . 4 LYS HB2 . 15833 1 25 . 1 1 4 4 LYS HB3 H 1 1.53 . . 2 . . . . 4 LYS HB3 . 15833 1 26 . 1 1 4 4 LYS HD2 H 1 1.56 . . 2 . . . . 4 LYS HD2 . 15833 1 27 . 1 1 4 4 LYS HD3 H 1 1.56 . . 2 . . . . 4 LYS HD3 . 15833 1 28 . 1 1 4 4 LYS HE2 H 1 2.90 . . 2 . . . . 4 LYS HE2 . 15833 1 29 . 1 1 4 4 LYS HE3 H 1 2.90 . . 2 . . . . 4 LYS HE3 . 15833 1 30 . 1 1 4 4 LYS HG2 H 1 1.21 . . 2 . . . . 4 LYS HG2 . 15833 1 31 . 1 1 4 4 LYS HG3 H 1 1.25 . . 2 . . . . 4 LYS HG3 . 15833 1 32 . 1 1 4 4 LYS CA C 13 56.5 . . 1 . . . . 4 LYS CA . 15833 1 33 . 1 1 4 4 LYS CB C 13 33.1 . . 1 . . . . 4 LYS CB . 15833 1 34 . 1 1 4 4 LYS CD C 13 28.5 . . 1 . . . . 4 LYS CD . 15833 1 35 . 1 1 4 4 LYS CE C 13 41.8 . . 1 . . . . 4 LYS CE . 15833 1 36 . 1 1 4 4 LYS CG C 13 24.5 . . 1 . . . . 4 LYS CG . 15833 1 37 . 1 1 4 4 LYS N N 15 122.2 . . 1 . . . . 4 LYS N . 15833 1 38 . 1 1 5 5 PHE H H 1 8.91 . . 1 . . . . 5 PHE HN . 15833 1 39 . 1 1 5 5 PHE HA H 1 4.79 . . 1 . . . . 5 PHE HA . 15833 1 40 . 1 1 5 5 PHE HB2 H 1 2.61 . . 2 . . . . 5 PHE HB2 . 15833 1 41 . 1 1 5 5 PHE HB3 H 1 2.51 . . 2 . . . . 5 PHE HB3 . 15833 1 42 . 1 1 5 5 PHE HD1 H 1 7.18 . . 3 . . . . 5 PHE HD1 . 15833 1 43 . 1 1 5 5 PHE HD2 H 1 7.18 . . 3 . . . . 5 PHE HD2 . 15833 1 44 . 1 1 5 5 PHE HE1 H 1 7.28 . . 3 . . . . 5 PHE HE1 . 15833 1 45 . 1 1 5 5 PHE HE2 H 1 7.28 . . 3 . . . . 5 PHE HE2 . 15833 1 46 . 1 1 5 5 PHE HZ H 1 6.85 . . 1 . . . . 5 PHE HZ . 15833 1 47 . 1 1 5 5 PHE CA C 13 57.4 . . 1 . . . . 5 PHE CA . 15833 1 48 . 1 1 5 5 PHE CB C 13 39.6 . . 1 . . . . 5 PHE CB . 15833 1 49 . 1 1 5 5 PHE CD1 C 13 132.5 . . 1 . . . . 5 PHE CD1 . 15833 1 50 . 1 1 5 5 PHE CE1 C 13 131.0 . . 1 . . . . 5 PHE CE1 . 15833 1 51 . 1 1 5 5 PHE CZ C 13 129.1 . . 1 . . . . 5 PHE CZ . 15833 1 52 . 1 1 5 5 PHE N N 15 117.9 . . 1 . . . . 5 PHE N . 15833 1 53 . 1 1 6 6 THR H H 1 7.65 . . 1 . . . . 6 THR HN . 15833 1 54 . 1 1 6 6 THR HA H 1 4.65 . . 1 . . . . 6 THR HA . 15833 1 55 . 1 1 6 6 THR HB H 1 4.40 . . 1 . . . . 6 THR HB . 15833 1 56 . 1 1 6 6 THR HG21 H 1 1.06 . . 1 . . . . 6 THR HG2 . 15833 1 57 . 1 1 6 6 THR HG22 H 1 1.06 . . 1 . . . . 6 THR HG2 . 15833 1 58 . 1 1 6 6 THR HG23 H 1 1.06 . . 1 . . . . 6 THR HG2 . 15833 1 59 . 1 1 6 6 THR CA C 13 59.2 . . 1 . . . . 6 THR CA . 15833 1 60 . 1 1 6 6 THR CB C 13 71.6 . . 1 . . . . 6 THR CB . 15833 1 61 . 1 1 6 6 THR CG2 C 13 21.6 . . 1 . . . . 6 THR CG2 . 15833 1 62 . 1 1 6 6 THR N N 15 112.8 . . 1 . . . . 6 THR N . 15833 1 63 . 1 1 7 7 LYS H H 1 8.99 . . 1 . . . . 7 LYS HN . 15833 1 64 . 1 1 7 7 LYS HA H 1 3.78 . . 1 . . . . 7 LYS HA . 15833 1 65 . 1 1 7 7 LYS HB2 H 1 1.76 . . 2 . . . . 7 LYS HB2 . 15833 1 66 . 1 1 7 7 LYS HB3 H 1 1.68 . . 2 . . . . 7 LYS HB3 . 15833 1 67 . 1 1 7 7 LYS HD2 H 1 1.58 . . 2 . . . . 7 LYS HD2 . 15833 1 68 . 1 1 7 7 LYS HD3 H 1 1.44 . . 2 . . . . 7 LYS HD3 . 15833 1 69 . 1 1 7 7 LYS HE2 H 1 2.90 . . 2 . . . . 7 LYS HE2 . 15833 1 70 . 1 1 7 7 LYS HE3 H 1 2.96 . . 2 . . . . 7 LYS HE3 . 15833 1 71 . 1 1 7 7 LYS HG2 H 1 1.31 . . 2 . . . . 7 LYS HG2 . 15833 1 72 . 1 1 7 7 LYS HG3 H 1 1.37 . . 2 . . . . 7 LYS HG3 . 15833 1 73 . 1 1 7 7 LYS CA C 13 58.6 . . 1 . . . . 7 LYS CA . 15833 1 74 . 1 1 7 7 LYS CB C 13 32.8 . . 1 . . . . 7 LYS CB . 15833 1 75 . 1 1 7 7 LYS CD C 13 29.3 . . 1 . . . . 7 LYS CD . 15833 1 76 . 1 1 7 7 LYS CE C 13 41.7 . . 1 . . . . 7 LYS CE . 15833 1 77 . 1 1 7 7 LYS CG C 13 23.3 . . 1 . . . . 7 LYS CG . 15833 1 78 . 1 1 7 7 LYS N N 15 117.9 . . 1 . . . . 7 LYS N . 15833 1 79 . 1 1 8 8 ASP H H 1 7.92 . . 1 . . . . 8 ASP HN . 15833 1 80 . 1 1 8 8 ASP HA H 1 4.64 . . 1 . . . . 8 ASP HA . 15833 1 81 . 1 1 8 8 ASP HB2 H 1 2.56 . . 2 . . . . 8 ASP HB2 . 15833 1 82 . 1 1 8 8 ASP HB3 H 1 2.71 . . 2 . . . . 8 ASP HB3 . 15833 1 83 . 1 1 8 8 ASP CA C 13 53.8 . . 1 . . . . 8 ASP CA . 15833 1 84 . 1 1 8 8 ASP CB C 13 41.0 . . 1 . . . . 8 ASP CB . 15833 1 85 . 1 1 8 8 ASP N N 15 113.6 . . 1 . . . . 8 ASP N . 15833 1 86 . 1 1 9 9 MET H H 1 7.24 . . 1 . . . . 9 MET HN . 15833 1 87 . 1 1 9 9 MET HA H 1 4.28 . . 1 . . . . 9 MET HA . 15833 1 88 . 1 1 9 9 MET HB2 H 1 1.98 . . 2 . . . . 9 MET HB2 . 15833 1 89 . 1 1 9 9 MET HB3 H 1 2.25 . . 2 . . . . 9 MET HB3 . 15833 1 90 . 1 1 9 9 MET HE1 H 1 1.88 . . 1 . . . . 9 MET HE . 15833 1 91 . 1 1 9 9 MET HE2 H 1 1.88 . . 1 . . . . 9 MET HE . 15833 1 92 . 1 1 9 9 MET HE3 H 1 1.88 . . 1 . . . . 9 MET HE . 15833 1 93 . 1 1 9 9 MET HG2 H 1 2.67 . . 2 . . . . 9 MET HG2 . 15833 1 94 . 1 1 9 9 MET HG3 H 1 2.72 . . 2 . . . . 9 MET HG3 . 15833 1 95 . 1 1 9 9 MET CA C 13 55.7 . . 1 . . . . 9 MET CA . 15833 1 96 . 1 1 9 9 MET CB C 13 33.8 . . 1 . . . . 9 MET CB . 15833 1 97 . 1 1 9 9 MET CE C 13 15.5 . . 1 . . . . 9 MET CE . 15833 1 98 . 1 1 9 9 MET CG C 13 30.4 . . 1 . . . . 9 MET CG . 15833 1 99 . 1 1 9 9 MET N N 15 121.6 . . 1 . . . . 9 MET N . 15833 1 100 . 1 1 10 10 THR H H 1 8.41 . . 1 . . . . 10 THR HN . 15833 1 101 . 1 1 10 10 THR HA H 1 4.91 . . 1 . . . . 10 THR HA . 15833 1 102 . 1 1 10 10 THR HB H 1 4.81 . . 1 . . . . 10 THR HB . 15833 1 103 . 1 1 10 10 THR HG1 H 1 5.78 . . 1 . . . . 10 THR HG1 . 15833 1 104 . 1 1 10 10 THR HG21 H 1 1.14 . . 1 . . . . 10 THR HG2 . 15833 1 105 . 1 1 10 10 THR HG22 H 1 1.14 . . 1 . . . . 10 THR HG2 . 15833 1 106 . 1 1 10 10 THR HG23 H 1 1.14 . . 1 . . . . 10 THR HG2 . 15833 1 107 . 1 1 10 10 THR CA C 13 60.3 . . 1 . . . . 10 THR CA . 15833 1 108 . 1 1 10 10 THR CB C 13 70.8 . . 1 . . . . 10 THR CB . 15833 1 109 . 1 1 10 10 THR CG2 C 13 21.6 . . 1 . . . . 10 THR CG2 . 15833 1 110 . 1 1 10 10 THR N N 15 110.9 . . 1 . . . . 10 THR N . 15833 1 111 . 1 1 11 11 PHE H H 1 8.25 . . 1 . . . . 11 PHE HN . 15833 1 112 . 1 1 11 11 PHE HA H 1 3.87 . . 1 . . . . 11 PHE HA . 15833 1 113 . 1 1 11 11 PHE HB2 H 1 2.86 . . 2 . . . . 11 PHE HB2 . 15833 1 114 . 1 1 11 11 PHE HB3 H 1 3.29 . . 2 . . . . 11 PHE HB3 . 15833 1 115 . 1 1 11 11 PHE HD1 H 1 7.26 . . 3 . . . . 11 PHE HD1 . 15833 1 116 . 1 1 11 11 PHE HD2 H 1 7.26 . . 3 . . . . 11 PHE HD2 . 15833 1 117 . 1 1 11 11 PHE HE1 H 1 7.19 . . 3 . . . . 11 PHE HE1 . 15833 1 118 . 1 1 11 11 PHE HE2 H 1 7.19 . . 3 . . . . 11 PHE HE2 . 15833 1 119 . 1 1 11 11 PHE HZ H 1 6.99 . . 1 . . . . 11 PHE HZ . 15833 1 120 . 1 1 11 11 PHE CA C 13 63.1 . . 1 . . . . 11 PHE CA . 15833 1 121 . 1 1 11 11 PHE CB C 13 39.2 . . 1 . . . . 11 PHE CB . 15833 1 122 . 1 1 11 11 PHE CD1 C 13 131.6 . . 1 . . . . 11 PHE CD1 . 15833 1 123 . 1 1 11 11 PHE CE1 C 13 131.4 . . 1 . . . . 11 PHE CE1 . 15833 1 124 . 1 1 11 11 PHE CZ C 13 127.8 . . 1 . . . . 11 PHE CZ . 15833 1 125 . 1 1 11 11 PHE N N 15 119.2 . . 1 . . . . 11 PHE N . 15833 1 126 . 1 1 12 12 ALA H H 1 8.56 . . 1 . . . . 12 ALA HN . 15833 1 127 . 1 1 12 12 ALA HA H 1 4.10 . . 1 . . . . 12 ALA HA . 15833 1 128 . 1 1 12 12 ALA HB1 H 1 1.37 . . 1 . . . . 12 ALA HB . 15833 1 129 . 1 1 12 12 ALA HB2 H 1 1.37 . . 1 . . . . 12 ALA HB . 15833 1 130 . 1 1 12 12 ALA HB3 H 1 1.37 . . 1 . . . . 12 ALA HB . 15833 1 131 . 1 1 12 12 ALA CA C 13 55.3 . . 1 . . . . 12 ALA CA . 15833 1 132 . 1 1 12 12 ALA CB C 13 18.2 . . 1 . . . . 12 ALA CB . 15833 1 133 . 1 1 12 12 ALA N N 15 119.1 . . 1 . . . . 12 ALA N . 15833 1 134 . 1 1 13 13 GLN H H 1 7.94 . . 1 . . . . 13 GLN HN . 15833 1 135 . 1 1 13 13 GLN HA H 1 3.91 . . 1 . . . . 13 GLN HA . 15833 1 136 . 1 1 13 13 GLN HB2 H 1 2.28 . . 2 . . . . 13 GLN HB2 . 15833 1 137 . 1 1 13 13 GLN HB3 H 1 1.89 . . 2 . . . . 13 GLN HB3 . 15833 1 138 . 1 1 13 13 GLN HE21 H 1 7.46 . . 2 . . . . 13 GLN HE21 . 15833 1 139 . 1 1 13 13 GLN HE22 H 1 6.82 . . 2 . . . . 13 GLN HE22 . 15833 1 140 . 1 1 13 13 GLN HG2 H 1 2.34 . . 2 . . . . 13 GLN HG2 . 15833 1 141 . 1 1 13 13 GLN HG3 H 1 2.39 . . 2 . . . . 13 GLN HG3 . 15833 1 142 . 1 1 13 13 GLN CA C 13 58.1 . . 1 . . . . 13 GLN CA . 15833 1 143 . 1 1 13 13 GLN CB C 13 28.4 . . 1 . . . . 13 GLN CB . 15833 1 144 . 1 1 13 13 GLN CG C 13 33.9 . . 1 . . . . 13 GLN CG . 15833 1 145 . 1 1 13 13 GLN N N 15 117.2 . . 1 . . . . 13 GLN N . 15833 1 146 . 1 1 13 13 GLN NE2 N 15 111.2 . . 1 . . . . 13 GLN NE2 . 15833 1 147 . 1 1 14 14 ALA H H 1 8.90 . . 1 . . . . 14 ALA HN . 15833 1 148 . 1 1 14 14 ALA HA H 1 4.23 . . 1 . . . . 14 ALA HA . 15833 1 149 . 1 1 14 14 ALA HB1 H 1 1.58 . . 1 . . . . 14 ALA HB . 15833 1 150 . 1 1 14 14 ALA HB2 H 1 1.58 . . 1 . . . . 14 ALA HB . 15833 1 151 . 1 1 14 14 ALA HB3 H 1 1.58 . . 1 . . . . 14 ALA HB . 15833 1 152 . 1 1 14 14 ALA CA C 13 56.0 . . 1 . . . . 14 ALA CA . 15833 1 153 . 1 1 14 14 ALA CB C 13 17.3 . . 1 . . . . 14 ALA CB . 15833 1 154 . 1 1 14 14 ALA N N 15 123.9 . . 1 . . . . 14 ALA N . 15833 1 155 . 1 1 15 15 LEU H H 1 8.83 . . 1 . . . . 15 LEU HN . 15833 1 156 . 1 1 15 15 LEU HA H 1 3.91 . . 1 . . . . 15 LEU HA . 15833 1 157 . 1 1 15 15 LEU HB2 H 1 1.54 . . 2 . . . . 15 LEU HB2 . 15833 1 158 . 1 1 15 15 LEU HB3 H 1 1.97 . . 2 . . . . 15 LEU HB3 . 15833 1 159 . 1 1 15 15 LEU HD11 H 1 0.90 . . 1 . . . . 15 LEU HD1 . 15833 1 160 . 1 1 15 15 LEU HD12 H 1 0.90 . . 1 . . . . 15 LEU HD1 . 15833 1 161 . 1 1 15 15 LEU HD13 H 1 0.90 . . 1 . . . . 15 LEU HD1 . 15833 1 162 . 1 1 15 15 LEU HD21 H 1 0.95 . . 1 . . . . 15 LEU HD2 . 15833 1 163 . 1 1 15 15 LEU HD22 H 1 0.95 . . 1 . . . . 15 LEU HD2 . 15833 1 164 . 1 1 15 15 LEU HD23 H 1 0.95 . . 1 . . . . 15 LEU HD2 . 15833 1 165 . 1 1 15 15 LEU HG H 1 1.71 . . 1 . . . . 15 LEU HG . 15833 1 166 . 1 1 15 15 LEU CA C 13 58.0 . . 1 . . . . 15 LEU CA . 15833 1 167 . 1 1 15 15 LEU CB C 13 42.2 . . 1 . . . . 15 LEU CB . 15833 1 168 . 1 1 15 15 LEU CD1 C 13 25.3 . . 1 . . . . 15 LEU CD1 . 15833 1 169 . 1 1 15 15 LEU CD2 C 13 23.3 . . 1 . . . . 15 LEU CD2 . 15833 1 170 . 1 1 15 15 LEU CG C 13 27.7 . . 1 . . . . 15 LEU CG . 15833 1 171 . 1 1 15 15 LEU N N 15 118.4 . . 1 . . . . 15 LEU N . 15833 1 172 . 1 1 16 16 GLN H H 1 7.24 . . 1 . . . . 16 GLN HN . 15833 1 173 . 1 1 16 16 GLN HA H 1 4.25 . . 1 . . . . 16 GLN HA . 15833 1 174 . 1 1 16 16 GLN HB2 H 1 2.09 . . 2 . . . . 16 GLN HB2 . 15833 1 175 . 1 1 16 16 GLN HB3 H 1 2.16 . . 2 . . . . 16 GLN HB3 . 15833 1 176 . 1 1 16 16 GLN HE21 H 1 6.77 . . 2 . . . . 16 GLN HE21 . 15833 1 177 . 1 1 16 16 GLN HE22 H 1 7.34 . . 2 . . . . 16 GLN HE22 . 15833 1 178 . 1 1 16 16 GLN HG2 H 1 2.48 . . 2 . . . . 16 GLN HG2 . 15833 1 179 . 1 1 16 16 GLN HG3 H 1 2.48 . . 2 . . . . 16 GLN HG3 . 15833 1 180 . 1 1 16 16 GLN CA C 13 56.0 . . 1 . . . . 16 GLN CA . 15833 1 181 . 1 1 16 16 GLN CB C 13 29.0 . . 1 . . . . 16 GLN CB . 15833 1 182 . 1 1 16 16 GLN CG C 13 33.6 . . 1 . . . . 16 GLN CG . 15833 1 183 . 1 1 16 16 GLN N N 15 113.3 . . 1 . . . . 16 GLN N . 15833 1 184 . 1 1 16 16 GLN NE2 N 15 111.5 . . 1 . . . . 16 GLN NE2 . 15833 1 185 . 1 1 17 17 THR H H 1 7.96 . . 1 . . . . 17 THR HN . 15833 1 186 . 1 1 17 17 THR HA H 1 3.92 . . 1 . . . . 17 THR HA . 15833 1 187 . 1 1 17 17 THR HB H 1 4.44 . . 1 . . . . 17 THR HB . 15833 1 188 . 1 1 17 17 THR HG21 H 1 0.76 . . 1 . . . . 17 THR HG2 . 15833 1 189 . 1 1 17 17 THR HG22 H 1 0.76 . . 1 . . . . 17 THR HG2 . 15833 1 190 . 1 1 17 17 THR HG23 H 1 0.76 . . 1 . . . . 17 THR HG2 . 15833 1 191 . 1 1 17 17 THR CA C 13 66.4 . . 1 . . . . 17 THR CA . 15833 1 192 . 1 1 17 17 THR CB C 13 68.8 . . 1 . . . . 17 THR CB . 15833 1 193 . 1 1 17 17 THR CG2 C 13 21.4 . . 1 . . . . 17 THR CG2 . 15833 1 194 . 1 1 17 17 THR N N 15 116.1 . . 1 . . . . 17 THR N . 15833 1 195 . 1 1 18 18 HIS H H 1 7.15 . . 1 . . . . 18 HIS HN . 15833 1 196 . 1 1 18 18 HIS HA H 1 4.88 . . 1 . . . . 18 HIS HA . 15833 1 197 . 1 1 18 18 HIS HB2 H 1 2.97 . . 2 . . . . 18 HIS HB2 . 15833 1 198 . 1 1 18 18 HIS HB3 H 1 3.25 . . 2 . . . . 18 HIS HB3 . 15833 1 199 . 1 1 18 18 HIS HD2 H 1 7.24 . . 1 . . . . 18 HIS HD2 . 15833 1 200 . 1 1 18 18 HIS CA C 13 55.5 . . 1 . . . . 18 HIS CA . 15833 1 201 . 1 1 18 18 HIS CB C 13 34.0 . . 1 . . . . 18 HIS CB . 15833 1 202 . 1 1 18 18 HIS CD2 C 13 118.5 . . 1 . . . . 18 HIS CD2 . 15833 1 203 . 1 1 18 18 HIS CE1 C 13 135.8 . . 1 . . . . 18 HIS CE1 . 15833 1 204 . 1 1 18 18 HIS N N 15 119.2 . . 1 . . . . 18 HIS N . 15833 1 205 . 1 1 19 19 PRO HA H 1 4.59 . . 1 . . . . 19 PRO HA . 15833 1 206 . 1 1 19 19 PRO HB2 H 1 1.97 . . 2 . . . . 19 PRO HB2 . 15833 1 207 . 1 1 19 19 PRO HB3 H 1 2.33 . . 2 . . . . 19 PRO HB3 . 15833 1 208 . 1 1 19 19 PRO HD2 H 1 2.43 . . 2 . . . . 19 PRO HD2 . 15833 1 209 . 1 1 19 19 PRO HD3 H 1 3.48 . . 2 . . . . 19 PRO HD3 . 15833 1 210 . 1 1 19 19 PRO HG2 H 1 1.75 . . 2 . . . . 19 PRO HG2 . 15833 1 211 . 1 1 19 19 PRO HG3 H 1 1.83 . . 2 . . . . 19 PRO HG3 . 15833 1 212 . 1 1 19 19 PRO CA C 13 64.6 . . 1 . . . . 19 PRO CA . 15833 1 213 . 1 1 19 19 PRO CB C 13 31.8 . . 1 . . . . 19 PRO CB . 15833 1 214 . 1 1 19 19 PRO CD C 13 50.8 . . 1 . . . . 19 PRO CD . 15833 1 215 . 1 1 19 19 PRO CG C 13 27.0 . . 1 . . . . 19 PRO CG . 15833 1 216 . 1 1 20 20 GLY H H 1 8.46 . . 1 . . . . 20 GLY HN . 15833 1 217 . 1 1 20 20 GLY HA2 H 1 3.89 . . 2 . . . . 20 GLY HA1 . 15833 1 218 . 1 1 20 20 GLY HA3 H 1 4.29 . . 2 . . . . 20 GLY HA2 . 15833 1 219 . 1 1 20 20 GLY CA C 13 45.4 . . 1 . . . . 20 GLY CA . 15833 1 220 . 1 1 20 20 GLY N N 15 112.1 . . 1 . . . . 20 GLY N . 15833 1 221 . 1 1 21 21 VAL H H 1 7.88 . . 1 . . . . 21 VAL HN . 15833 1 222 . 1 1 21 21 VAL HA H 1 3.19 . . 1 . . . . 21 VAL HA . 15833 1 223 . 1 1 21 21 VAL HB H 1 2.40 . . 1 . . . . 21 VAL HB . 15833 1 224 . 1 1 21 21 VAL HG11 H 1 0.72 . . 1 . . . . 21 VAL HG1 . 15833 1 225 . 1 1 21 21 VAL HG12 H 1 0.72 . . 1 . . . . 21 VAL HG1 . 15833 1 226 . 1 1 21 21 VAL HG13 H 1 0.72 . . 1 . . . . 21 VAL HG1 . 15833 1 227 . 1 1 21 21 VAL HG21 H 1 1.31 . . 1 . . . . 21 VAL HG2 . 15833 1 228 . 1 1 21 21 VAL HG22 H 1 1.31 . . 1 . . . . 21 VAL HG2 . 15833 1 229 . 1 1 21 21 VAL HG23 H 1 1.31 . . 1 . . . . 21 VAL HG2 . 15833 1 230 . 1 1 21 21 VAL CA C 13 66.7 . . 1 . . . . 21 VAL CA . 15833 1 231 . 1 1 21 21 VAL CB C 13 31.3 . . 1 . . . . 21 VAL CB . 15833 1 232 . 1 1 21 21 VAL CG1 C 13 20.2 . . 1 . . . . 21 VAL CG1 . 15833 1 233 . 1 1 21 21 VAL CG2 C 13 24.8 . . 1 . . . . 21 VAL CG2 . 15833 1 234 . 1 1 21 21 VAL N N 15 122.8 . . 1 . . . . 21 VAL N . 15833 1 235 . 1 1 22 22 ALA H H 1 8.42 . . 1 . . . . 22 ALA HN . 15833 1 236 . 1 1 22 22 ALA HA H 1 3.83 . . 1 . . . . 22 ALA HA . 15833 1 237 . 1 1 22 22 ALA HB1 H 1 1.42 . . 1 . . . . 22 ALA HB . 15833 1 238 . 1 1 22 22 ALA HB2 H 1 1.42 . . 1 . . . . 22 ALA HB . 15833 1 239 . 1 1 22 22 ALA HB3 H 1 1.42 . . 1 . . . . 22 ALA HB . 15833 1 240 . 1 1 22 22 ALA CA C 13 55.9 . . 1 . . . . 22 ALA CA . 15833 1 241 . 1 1 22 22 ALA CB C 13 17.3 . . 1 . . . . 22 ALA CB . 15833 1 242 . 1 1 22 22 ALA N N 15 121.9 . . 1 . . . . 22 ALA N . 15833 1 243 . 1 1 23 23 GLY H H 1 8.46 . . 1 . . . . 23 GLY HN . 15833 1 244 . 1 1 23 23 GLY HA2 H 1 3.72 . . 2 . . . . 23 GLY HA1 . 15833 1 245 . 1 1 23 23 GLY HA3 H 1 3.89 . . 2 . . . . 23 GLY HA2 . 15833 1 246 . 1 1 23 23 GLY CA C 13 46.6 . . 1 . . . . 23 GLY CA . 15833 1 247 . 1 1 23 23 GLY N N 15 105.3 . . 1 . . . . 23 GLY N . 15833 1 248 . 1 1 24 24 VAL H H 1 7.41 . . 1 . . . . 24 VAL HN . 15833 1 249 . 1 1 24 24 VAL HA H 1 3.79 . . 1 . . . . 24 VAL HA . 15833 1 250 . 1 1 24 24 VAL HB H 1 2.07 . . 1 . . . . 24 VAL HB . 15833 1 251 . 1 1 24 24 VAL HG11 H 1 0.89 . . 1 . . . . 24 VAL HG1 . 15833 1 252 . 1 1 24 24 VAL HG12 H 1 0.89 . . 1 . . . . 24 VAL HG1 . 15833 1 253 . 1 1 24 24 VAL HG13 H 1 0.89 . . 1 . . . . 24 VAL HG1 . 15833 1 254 . 1 1 24 24 VAL HG21 H 1 0.93 . . 1 . . . . 24 VAL HG2 . 15833 1 255 . 1 1 24 24 VAL HG22 H 1 0.93 . . 1 . . . . 24 VAL HG2 . 15833 1 256 . 1 1 24 24 VAL HG23 H 1 0.93 . . 1 . . . . 24 VAL HG2 . 15833 1 257 . 1 1 24 24 VAL CA C 13 66.0 . . 1 . . . . 24 VAL CA . 15833 1 258 . 1 1 24 24 VAL CB C 13 31.5 . . 1 . . . . 24 VAL CB . 15833 1 259 . 1 1 24 24 VAL CG1 C 13 21.8 . . 1 . . . . 24 VAL CG1 . 15833 1 260 . 1 1 24 24 VAL CG2 C 13 22.3 . . 1 . . . . 24 VAL CG2 . 15833 1 261 . 1 1 24 24 VAL N N 15 123.1 . . 1 . . . . 24 VAL N . 15833 1 262 . 1 1 25 25 LEU H H 1 8.63 . . 1 . . . . 25 LEU HN . 15833 1 263 . 1 1 25 25 LEU HA H 1 3.98 . . 1 . . . . 25 LEU HA . 15833 1 264 . 1 1 25 25 LEU HB2 H 1 1.36 . . 2 . . . . 25 LEU HB2 . 15833 1 265 . 1 1 25 25 LEU HB3 H 1 1.92 . . 2 . . . . 25 LEU HB3 . 15833 1 266 . 1 1 25 25 LEU HD11 H 1 0.85 . . 1 . . . . 25 LEU HD1 . 15833 1 267 . 1 1 25 25 LEU HD12 H 1 0.85 . . 1 . . . . 25 LEU HD1 . 15833 1 268 . 1 1 25 25 LEU HD13 H 1 0.85 . . 1 . . . . 25 LEU HD1 . 15833 1 269 . 1 1 25 25 LEU HD21 H 1 0.62 . . 1 . . . . 25 LEU HD2 . 15833 1 270 . 1 1 25 25 LEU HD22 H 1 0.62 . . 1 . . . . 25 LEU HD2 . 15833 1 271 . 1 1 25 25 LEU HD23 H 1 0.62 . . 1 . . . . 25 LEU HD2 . 15833 1 272 . 1 1 25 25 LEU HG H 1 1.86 . . 1 . . . . 25 LEU HG . 15833 1 273 . 1 1 25 25 LEU CA C 13 58.4 . . 1 . . . . 25 LEU CA . 15833 1 274 . 1 1 25 25 LEU CB C 13 39.3 . . 1 . . . . 25 LEU CB . 15833 1 275 . 1 1 25 25 LEU CD1 C 13 26.1 . . 1 . . . . 25 LEU CD1 . 15833 1 276 . 1 1 25 25 LEU CD2 C 13 21.2 . . 1 . . . . 25 LEU CD2 . 15833 1 277 . 1 1 25 25 LEU CG C 13 26.0 . . 1 . . . . 25 LEU CG . 15833 1 278 . 1 1 25 25 LEU N N 15 118.6 . . 1 . . . . 25 LEU N . 15833 1 279 . 1 1 26 26 ARG H H 1 8.45 . . 1 . . . . 26 ARG HN . 15833 1 280 . 1 1 26 26 ARG HA H 1 4.08 . . 1 . . . . 26 ARG HA . 15833 1 281 . 1 1 26 26 ARG HB2 H 1 1.91 . . 2 . . . . 26 ARG HB2 . 15833 1 282 . 1 1 26 26 ARG HB3 H 1 1.95 . . 2 . . . . 26 ARG HB3 . 15833 1 283 . 1 1 26 26 ARG HD2 H 1 3.17 . . 2 . . . . 26 ARG HD2 . 15833 1 284 . 1 1 26 26 ARG HD3 H 1 3.21 . . 2 . . . . 26 ARG HD3 . 15833 1 285 . 1 1 26 26 ARG HE H 1 7.26 . . 1 . . . . 26 ARG HE . 15833 1 286 . 1 1 26 26 ARG HG2 H 1 1.78 . . 2 . . . . 26 ARG HG2 . 15833 1 287 . 1 1 26 26 ARG HG3 H 1 1.59 . . 2 . . . . 26 ARG HG3 . 15833 1 288 . 1 1 26 26 ARG CA C 13 59.6 . . 1 . . . . 26 ARG CA . 15833 1 289 . 1 1 26 26 ARG CB C 13 29.8 . . 1 . . . . 26 ARG CB . 15833 1 290 . 1 1 26 26 ARG CD C 13 43.2 . . 1 . . . . 26 ARG CD . 15833 1 291 . 1 1 26 26 ARG CG C 13 27.8 . . 1 . . . . 26 ARG CG . 15833 1 292 . 1 1 26 26 ARG N N 15 119.5 . . 1 . . . . 26 ARG N . 15833 1 293 . 1 1 26 26 ARG NE N 15 84.2 . . 1 . . . . 26 ARG NE . 15833 1 294 . 1 1 27 27 SER H H 1 7.78 . . 1 . . . . 27 SER HN . 15833 1 295 . 1 1 27 27 SER HA H 1 4.20 . . 1 . . . . 27 SER HA . 15833 1 296 . 1 1 27 27 SER HB2 H 1 3.89 . . 2 . . . . 27 SER HB2 . 15833 1 297 . 1 1 27 27 SER HB3 H 1 3.85 . . 2 . . . . 27 SER HB3 . 15833 1 298 . 1 1 27 27 SER CA C 13 61.3 . . 1 . . . . 27 SER CA . 15833 1 299 . 1 1 27 27 SER CB C 13 62.4 . . 1 . . . . 27 SER CB . 15833 1 300 . 1 1 27 27 SER N N 15 118.0 . . 1 . . . . 27 SER N . 15833 1 301 . 1 1 28 28 TYR H H 1 7.24 . . 1 . . . . 28 TYR HN . 15833 1 302 . 1 1 28 28 TYR HA H 1 4.35 . . 1 . . . . 28 TYR HA . 15833 1 303 . 1 1 28 28 TYR HB2 H 1 3.34 . . 2 . . . . 28 TYR HB2 . 15833 1 304 . 1 1 28 28 TYR HB3 H 1 2.43 . . 2 . . . . 28 TYR HB3 . 15833 1 305 . 1 1 28 28 TYR HD1 H 1 7.18 . . 3 . . . . 28 TYR HD1 . 15833 1 306 . 1 1 28 28 TYR HD2 H 1 7.18 . . 3 . . . . 28 TYR HD2 . 15833 1 307 . 1 1 28 28 TYR HE1 H 1 6.72 . . 3 . . . . 28 TYR HE1 . 15833 1 308 . 1 1 28 28 TYR HE2 H 1 6.72 . . 3 . . . . 28 TYR HE2 . 15833 1 309 . 1 1 28 28 TYR CA C 13 59.5 . . 1 . . . . 28 TYR CA . 15833 1 310 . 1 1 28 28 TYR CB C 13 39.0 . . 1 . . . . 28 TYR CB . 15833 1 311 . 1 1 28 28 TYR CD1 C 13 133.4 . . 1 . . . . 28 TYR CD1 . 15833 1 312 . 1 1 28 28 TYR CE1 C 13 117.2 . . 1 . . . . 28 TYR CE1 . 15833 1 313 . 1 1 28 28 TYR N N 15 119.5 . . 1 . . . . 28 TYR N . 15833 1 314 . 1 1 29 29 ASN H H 1 8.14 . . 1 . . . . 29 ASN HN . 15833 1 315 . 1 1 29 29 ASN HA H 1 4.45 . . 1 . . . . 29 ASN HA . 15833 1 316 . 1 1 29 29 ASN HB2 H 1 2.80 . . 2 . . . . 29 ASN HB2 . 15833 1 317 . 1 1 29 29 ASN HB3 H 1 3.12 . . 2 . . . . 29 ASN HB3 . 15833 1 318 . 1 1 29 29 ASN HD21 H 1 6.85 . . 2 . . . . 29 ASN HD21 . 15833 1 319 . 1 1 29 29 ASN HD22 H 1 7.56 . . 2 . . . . 29 ASN HD22 . 15833 1 320 . 1 1 29 29 ASN CA C 13 54.1 . . 1 . . . . 29 ASN CA . 15833 1 321 . 1 1 29 29 ASN CB C 13 36.9 . . 1 . . . . 29 ASN CB . 15833 1 322 . 1 1 29 29 ASN N N 15 115.2 . . 1 . . . . 29 ASN N . 15833 1 323 . 1 1 29 29 ASN ND2 N 15 112.7 . . 1 . . . . 29 ASN ND2 . 15833 1 324 . 1 1 30 30 LEU H H 1 7.71 . . 1 . . . . 30 LEU HN . 15833 1 325 . 1 1 30 30 LEU HA H 1 4.15 . . 1 . . . . 30 LEU HA . 15833 1 326 . 1 1 30 30 LEU HB2 H 1 1.42 . . 2 . . . . 30 LEU HB2 . 15833 1 327 . 1 1 30 30 LEU HB3 H 1 1.47 . . 2 . . . . 30 LEU HB3 . 15833 1 328 . 1 1 30 30 LEU HD11 H 1 0.68 . . 1 . . . . 30 LEU HD1 . 15833 1 329 . 1 1 30 30 LEU HD12 H 1 0.68 . . 1 . . . . 30 LEU HD1 . 15833 1 330 . 1 1 30 30 LEU HD13 H 1 0.68 . . 1 . . . . 30 LEU HD1 . 15833 1 331 . 1 1 30 30 LEU HD21 H 1 0.37 . . 1 . . . . 30 LEU HD2 . 15833 1 332 . 1 1 30 30 LEU HD22 H 1 0.37 . . 1 . . . . 30 LEU HD2 . 15833 1 333 . 1 1 30 30 LEU HD23 H 1 0.37 . . 1 . . . . 30 LEU HD2 . 15833 1 334 . 1 1 30 30 LEU HG H 1 1.43 . . 1 . . . . 30 LEU HG . 15833 1 335 . 1 1 30 30 LEU CA C 13 53.4 . . 1 . . . . 30 LEU CA . 15833 1 336 . 1 1 30 30 LEU CB C 13 42.6 . . 1 . . . . 30 LEU CB . 15833 1 337 . 1 1 30 30 LEU CD1 C 13 25.8 . . 1 . . . . 30 LEU CD1 . 15833 1 338 . 1 1 30 30 LEU CD2 C 13 22.5 . . 1 . . . . 30 LEU CD2 . 15833 1 339 . 1 1 30 30 LEU CG C 13 25.6 . . 1 . . . . 30 LEU CG . 15833 1 340 . 1 1 30 30 LEU N N 15 116.7 . . 1 . . . . 30 LEU N . 15833 1 341 . 1 1 31 31 GLY H H 1 8.13 . . 1 . . . . 31 GLY HN . 15833 1 342 . 1 1 31 31 GLY HA2 H 1 3.72 . . 2 . . . . 31 GLY HA1 . 15833 1 343 . 1 1 31 31 GLY HA3 H 1 3.78 . . 2 . . . . 31 GLY HA2 . 15833 1 344 . 1 1 31 31 GLY CA C 13 45.4 . . 1 . . . . 31 GLY CA . 15833 1 345 . 1 1 31 31 GLY N N 15 107.7 . . 1 . . . . 31 GLY N . 15833 1 346 . 1 1 32 32 CYS H H 1 8.09 . . 1 . . . . 32 CYS HN . 15833 1 347 . 1 1 32 32 CYS HA H 1 4.40 . . 1 . . . . 32 CYS HA . 15833 1 348 . 1 1 32 32 CYS HB2 H 1 2.77 . . 2 . . . . 32 CYS HB2 . 15833 1 349 . 1 1 32 32 CYS HB3 H 1 2.77 . . 2 . . . . 32 CYS HB3 . 15833 1 350 . 1 1 32 32 CYS CA C 13 57.9 . . 1 . . . . 32 CYS CA . 15833 1 351 . 1 1 32 32 CYS CB C 13 27.4 . . 1 . . . . 32 CYS CB . 15833 1 352 . 1 1 32 32 CYS N N 15 117.5 . . 1 . . . . 32 CYS N . 15833 1 353 . 1 1 33 33 ILE H H 1 7.81 . . 1 . . . . 33 ILE HN . 15833 1 354 . 1 1 33 33 ILE HA H 1 3.88 . . 1 . . . . 33 ILE HA . 15833 1 355 . 1 1 33 33 ILE HB H 1 1.65 . . 1 . . . . 33 ILE HB . 15833 1 356 . 1 1 33 33 ILE HD11 H 1 0.58 . . 1 . . . . 33 ILE HD1 . 15833 1 357 . 1 1 33 33 ILE HD12 H 1 0.58 . . 1 . . . . 33 ILE HD1 . 15833 1 358 . 1 1 33 33 ILE HD13 H 1 0.58 . . 1 . . . . 33 ILE HD1 . 15833 1 359 . 1 1 33 33 ILE HG12 H 1 1.20 . . 2 . . . . 33 ILE HG12 . 15833 1 360 . 1 1 33 33 ILE HG13 H 1 1.00 . . 2 . . . . 33 ILE HG13 . 15833 1 361 . 1 1 33 33 ILE HG21 H 1 0.61 . . 1 . . . . 33 ILE HG2 . 15833 1 362 . 1 1 33 33 ILE HG22 H 1 0.61 . . 1 . . . . 33 ILE HG2 . 15833 1 363 . 1 1 33 33 ILE HG23 H 1 0.61 . . 1 . . . . 33 ILE HG2 . 15833 1 364 . 1 1 33 33 ILE CA C 13 61.7 . . 1 . . . . 33 ILE CA . 15833 1 365 . 1 1 33 33 ILE CB C 13 37.6 . . 1 . . . . 33 ILE CB . 15833 1 366 . 1 1 33 33 ILE CD1 C 13 12.6 . . 1 . . . . 33 ILE CD1 . 15833 1 367 . 1 1 33 33 ILE CG1 C 13 27.1 . . 1 . . . . 33 ILE CG1 . 15833 1 368 . 1 1 33 33 ILE CG2 C 13 17.4 . . 1 . . . . 33 ILE CG2 . 15833 1 369 . 1 1 33 33 ILE N N 15 122.3 . . 1 . . . . 33 ILE N . 15833 1 370 . 1 1 34 34 GLY H H 1 8.40 . . 1 . . . . 34 GLY HN . 15833 1 371 . 1 1 34 34 GLY HA2 H 1 3.82 . . 2 . . . . 34 GLY HA1 . 15833 1 372 . 1 1 34 34 GLY HA3 H 1 3.90 . . 2 . . . . 34 GLY HA2 . 15833 1 373 . 1 1 34 34 GLY CA C 13 45.5 . . 1 . . . . 34 GLY CA . 15833 1 374 . 1 1 34 34 GLY N N 15 111.3 . . 1 . . . . 34 GLY N . 15833 1 375 . 1 1 35 35 CYS H H 1 7.93 . . 1 . . . . 35 CYS HN . 15833 1 376 . 1 1 35 35 CYS HA H 1 4.48 . . 1 . . . . 35 CYS HA . 15833 1 377 . 1 1 35 35 CYS HB2 H 1 2.89 . . 2 . . . . 35 CYS HB2 . 15833 1 378 . 1 1 35 35 CYS HB3 H 1 2.89 . . 2 . . . . 35 CYS HB3 . 15833 1 379 . 1 1 35 35 CYS CA C 13 58.0 . . 1 . . . . 35 CYS CA . 15833 1 380 . 1 1 35 35 CYS CB C 13 27.7 . . 1 . . . . 35 CYS CB . 15833 1 381 . 1 1 35 35 CYS N N 15 118.0 . . 1 . . . . 35 CYS N . 15833 1 382 . 1 1 36 36 MET H H 1 8.40 . . 1 . . . . 36 MET HN . 15833 1 383 . 1 1 36 36 MET HA H 1 4.35 . . 1 . . . . 36 MET HA . 15833 1 384 . 1 1 36 36 MET HB2 H 1 2.58 . . 2 . . . . 36 MET HB2 . 15833 1 385 . 1 1 36 36 MET HB3 H 1 2.01 . . 2 . . . . 36 MET HB3 . 15833 1 386 . 1 1 36 36 MET HE1 H 1 1.99 . . 1 . . . . 36 MET HE . 15833 1 387 . 1 1 36 36 MET HE2 H 1 1.99 . . 1 . . . . 36 MET HE . 15833 1 388 . 1 1 36 36 MET HE3 H 1 1.99 . . 1 . . . . 36 MET HE . 15833 1 389 . 1 1 36 36 MET HG2 H 1 2.06 . . 2 . . . . 36 MET HG2 . 15833 1 390 . 1 1 36 36 MET HG3 H 1 2.49 . . 2 . . . . 36 MET HG3 . 15833 1 391 . 1 1 36 36 MET CA C 13 56.4 . . 1 . . . . 36 MET CA . 15833 1 392 . 1 1 36 36 MET CB C 13 31.9 . . 1 . . . . 36 MET CB . 15833 1 393 . 1 1 36 36 MET CE C 13 17.0 . . 1 . . . . 36 MET CE . 15833 1 394 . 1 1 36 36 MET CG C 13 31.9 . . 1 . . . . 36 MET CG . 15833 1 395 . 1 1 36 36 MET N N 15 121.5 . . 1 . . . . 36 MET N . 15833 1 396 . 1 1 37 37 GLY H H 1 8.34 . . 1 . . . . 37 GLY HN . 15833 1 397 . 1 1 37 37 GLY HA2 H 1 3.85 . . 2 . . . . 37 GLY HA1 . 15833 1 398 . 1 1 37 37 GLY HA3 H 1 3.92 . . 2 . . . . 37 GLY HA2 . 15833 1 399 . 1 1 37 37 GLY CA C 13 45.8 . . 1 . . . . 37 GLY CA . 15833 1 400 . 1 1 37 37 GLY N N 15 109.1 . . 1 . . . . 37 GLY N . 15833 1 401 . 1 1 38 38 ALA H H 1 7.89 . . 1 . . . . 38 ALA HN . 15833 1 402 . 1 1 38 38 ALA HA H 1 4.31 . . 1 . . . . 38 ALA HA . 15833 1 403 . 1 1 38 38 ALA HB1 H 1 1.30 . . 1 . . . . 38 ALA HB . 15833 1 404 . 1 1 38 38 ALA HB2 H 1 1.30 . . 1 . . . . 38 ALA HB . 15833 1 405 . 1 1 38 38 ALA HB3 H 1 1.30 . . 1 . . . . 38 ALA HB . 15833 1 406 . 1 1 38 38 ALA CA C 13 52.8 . . 1 . . . . 38 ALA CA . 15833 1 407 . 1 1 38 38 ALA CB C 13 18.7 . . 1 . . . . 38 ALA CB . 15833 1 408 . 1 1 38 38 ALA N N 15 123.3 . . 1 . . . . 38 ALA N . 15833 1 409 . 1 1 39 39 GLN H H 1 8.32 . . 1 . . . . 39 GLN HN . 15833 1 410 . 1 1 39 39 GLN HA H 1 4.16 . . 1 . . . . 39 GLN HA . 15833 1 411 . 1 1 39 39 GLN HB2 H 1 2.02 . . 2 . . . . 39 GLN HB2 . 15833 1 412 . 1 1 39 39 GLN HB3 H 1 2.12 . . 2 . . . . 39 GLN HB3 . 15833 1 413 . 1 1 39 39 GLN HE21 H 1 7.36 . . 2 . . . . 39 GLN HE21 . 15833 1 414 . 1 1 39 39 GLN HE22 H 1 6.69 . . 2 . . . . 39 GLN HE22 . 15833 1 415 . 1 1 39 39 GLN HG2 H 1 2.33 . . 2 . . . . 39 GLN HG2 . 15833 1 416 . 1 1 39 39 GLN HG3 H 1 2.39 . . 2 . . . . 39 GLN HG3 . 15833 1 417 . 1 1 39 39 GLN CA C 13 57.5 . . 1 . . . . 39 GLN CA . 15833 1 418 . 1 1 39 39 GLN CB C 13 28.2 . . 1 . . . . 39 GLN CB . 15833 1 419 . 1 1 39 39 GLN CG C 13 33.4 . . 1 . . . . 39 GLN CG . 15833 1 420 . 1 1 39 39 GLN N N 15 116.8 . . 1 . . . . 39 GLN N . 15833 1 421 . 1 1 39 39 GLN NE2 N 15 111.2 . . 1 . . . . 39 GLN NE2 . 15833 1 422 . 1 1 40 40 ASN H H 1 8.12 . . 1 . . . . 40 ASN HN . 15833 1 423 . 1 1 40 40 ASN HA H 1 4.91 . . 1 . . . . 40 ASN HA . 15833 1 424 . 1 1 40 40 ASN HB2 H 1 2.75 . . 2 . . . . 40 ASN HB2 . 15833 1 425 . 1 1 40 40 ASN HB3 H 1 2.96 . . 2 . . . . 40 ASN HB3 . 15833 1 426 . 1 1 40 40 ASN HD21 H 1 7.63 . . 2 . . . . 40 ASN HD21 . 15833 1 427 . 1 1 40 40 ASN HD22 H 1 6.89 . . 2 . . . . 40 ASN HD22 . 15833 1 428 . 1 1 40 40 ASN CA C 13 52.7 . . 1 . . . . 40 ASN CA . 15833 1 429 . 1 1 40 40 ASN CB C 13 38.8 . . 1 . . . . 40 ASN CB . 15833 1 430 . 1 1 40 40 ASN N N 15 115.5 . . 1 . . . . 40 ASN N . 15833 1 431 . 1 1 40 40 ASN ND2 N 15 113.3 . . 1 . . . . 40 ASN ND2 . 15833 1 432 . 1 1 41 41 GLU H H 1 7.70 . . 1 . . . . 41 GLU HN . 15833 1 433 . 1 1 41 41 GLU HA H 1 4.53 . . 1 . . . . 41 GLU HA . 15833 1 434 . 1 1 41 41 GLU HB2 H 1 2.15 . . 2 . . . . 41 GLU HB2 . 15833 1 435 . 1 1 41 41 GLU HB3 H 1 2.15 . . 2 . . . . 41 GLU HB3 . 15833 1 436 . 1 1 41 41 GLU HG2 H 1 2.59 . . 2 . . . . 41 GLU HG2 . 15833 1 437 . 1 1 41 41 GLU HG3 H 1 2.54 . . 2 . . . . 41 GLU HG3 . 15833 1 438 . 1 1 41 41 GLU CA C 13 55.4 . . 1 . . . . 41 GLU CA . 15833 1 439 . 1 1 41 41 GLU CB C 13 30.0 . . 1 . . . . 41 GLU CB . 15833 1 440 . 1 1 41 41 GLU CG C 13 33.6 . . 1 . . . . 41 GLU CG . 15833 1 441 . 1 1 41 41 GLU N N 15 120.5 . . 1 . . . . 41 GLU N . 15833 1 442 . 1 1 42 42 SER H H 1 8.68 . . 1 . . . . 42 SER HN . 15833 1 443 . 1 1 42 42 SER HA H 1 4.71 . . 1 . . . . 42 SER HA . 15833 1 444 . 1 1 42 42 SER HB2 H 1 3.89 . . 2 . . . . 42 SER HB2 . 15833 1 445 . 1 1 42 42 SER HB3 H 1 4.38 . . 2 . . . . 42 SER HB3 . 15833 1 446 . 1 1 42 42 SER CA C 13 56.6 . . 1 . . . . 42 SER CA . 15833 1 447 . 1 1 42 42 SER CB C 13 65.6 . . 1 . . . . 42 SER CB . 15833 1 448 . 1 1 42 42 SER N N 15 117.3 . . 1 . . . . 42 SER N . 15833 1 449 . 1 1 43 43 LEU H H 1 8.42 . . 1 . . . . 43 LEU HN . 15833 1 450 . 1 1 43 43 LEU HA H 1 3.54 . . 1 . . . . 43 LEU HA . 15833 1 451 . 1 1 43 43 LEU HB2 H 1 1.65 . . 2 . . . . 43 LEU HB2 . 15833 1 452 . 1 1 43 43 LEU HB3 H 1 0.73 . . 2 . . . . 43 LEU HB3 . 15833 1 453 . 1 1 43 43 LEU HD11 H 1 0.50 . . 1 . . . . 43 LEU HD1 . 15833 1 454 . 1 1 43 43 LEU HD12 H 1 0.50 . . 1 . . . . 43 LEU HD1 . 15833 1 455 . 1 1 43 43 LEU HD13 H 1 0.50 . . 1 . . . . 43 LEU HD1 . 15833 1 456 . 1 1 43 43 LEU HD21 H 1 -0.15 . . 1 . . . . 43 LEU HD2 . 15833 1 457 . 1 1 43 43 LEU HD22 H 1 -0.15 . . 1 . . . . 43 LEU HD2 . 15833 1 458 . 1 1 43 43 LEU HD23 H 1 -0.15 . . 1 . . . . 43 LEU HD2 . 15833 1 459 . 1 1 43 43 LEU HG H 1 1.42 . . 1 . . . . 43 LEU HG . 15833 1 460 . 1 1 43 43 LEU CA C 13 57.7 . . 1 . . . . 43 LEU CA . 15833 1 461 . 1 1 43 43 LEU CB C 13 41.3 . . 1 . . . . 43 LEU CB . 15833 1 462 . 1 1 43 43 LEU CD1 C 13 25.8 . . 1 . . . . 43 LEU CD1 . 15833 1 463 . 1 1 43 43 LEU CD2 C 13 21.8 . . 1 . . . . 43 LEU CD2 . 15833 1 464 . 1 1 43 43 LEU CG C 13 26.6 . . 1 . . . . 43 LEU CG . 15833 1 465 . 1 1 43 43 LEU N N 15 119.9 . . 1 . . . . 43 LEU N . 15833 1 466 . 1 1 44 44 GLU H H 1 8.26 . . 1 . . . . 44 GLU HN . 15833 1 467 . 1 1 44 44 GLU HA H 1 3.69 . . 1 . . . . 44 GLU HA . 15833 1 468 . 1 1 44 44 GLU HB2 H 1 1.86 . . 2 . . . . 44 GLU HB2 . 15833 1 469 . 1 1 44 44 GLU HB3 H 1 1.94 . . 2 . . . . 44 GLU HB3 . 15833 1 470 . 1 1 44 44 GLU HG2 H 1 2.23 . . 2 . . . . 44 GLU HG2 . 15833 1 471 . 1 1 44 44 GLU HG3 H 1 2.10 . . 2 . . . . 44 GLU HG3 . 15833 1 472 . 1 1 44 44 GLU CA C 13 59.6 . . 1 . . . . 44 GLU CA . 15833 1 473 . 1 1 44 44 GLU CB C 13 29.6 . . 1 . . . . 44 GLU CB . 15833 1 474 . 1 1 44 44 GLU CG C 13 35.4 . . 1 . . . . 44 GLU CG . 15833 1 475 . 1 1 44 44 GLU N N 15 116.8 . . 1 . . . . 44 GLU N . 15833 1 476 . 1 1 45 45 GLN H H 1 8.16 . . 1 . . . . 45 GLN HN . 15833 1 477 . 1 1 45 45 GLN HA H 1 4.05 . . 1 . . . . 45 GLN HA . 15833 1 478 . 1 1 45 45 GLN HB2 H 1 2.07 . . 2 . . . . 45 GLN HB2 . 15833 1 479 . 1 1 45 45 GLN HB3 H 1 2.37 . . 2 . . . . 45 GLN HB3 . 15833 1 480 . 1 1 45 45 GLN HE21 H 1 7.51 . . 2 . . . . 45 GLN HE21 . 15833 1 481 . 1 1 45 45 GLN HE22 H 1 6.86 . . 2 . . . . 45 GLN HE22 . 15833 1 482 . 1 1 45 45 GLN HG2 H 1 2.44 . . 2 . . . . 45 GLN HG2 . 15833 1 483 . 1 1 45 45 GLN HG3 H 1 2.47 . . 2 . . . . 45 GLN HG3 . 15833 1 484 . 1 1 45 45 GLN CA C 13 58.9 . . 1 . . . . 45 GLN CA . 15833 1 485 . 1 1 45 45 GLN CB C 13 28.2 . . 1 . . . . 45 GLN CB . 15833 1 486 . 1 1 45 45 GLN CG C 13 34.1 . . 1 . . . . 45 GLN CG . 15833 1 487 . 1 1 45 45 GLN N N 15 119.9 . . 1 . . . . 45 GLN N . 15833 1 488 . 1 1 45 45 GLN NE2 N 15 111.5 . . 1 . . . . 45 GLN NE2 . 15833 1 489 . 1 1 46 46 GLY H H 1 8.89 . . 1 . . . . 46 GLY HN . 15833 1 490 . 1 1 46 46 GLY HA2 H 1 3.82 . . 2 . . . . 46 GLY HA1 . 15833 1 491 . 1 1 46 46 GLY HA3 H 1 4.12 . . 2 . . . . 46 GLY HA2 . 15833 1 492 . 1 1 46 46 GLY CA C 13 47.2 . . 1 . . . . 46 GLY CA . 15833 1 493 . 1 1 46 46 GLY N N 15 107.0 . . 1 . . . . 46 GLY N . 15833 1 494 . 1 1 47 47 ALA H H 1 8.89 . . 1 . . . . 47 ALA HN . 15833 1 495 . 1 1 47 47 ALA HA H 1 3.95 . . 1 . . . . 47 ALA HA . 15833 1 496 . 1 1 47 47 ALA HB1 H 1 1.28 . . 1 . . . . 47 ALA HB . 15833 1 497 . 1 1 47 47 ALA HB2 H 1 1.28 . . 1 . . . . 47 ALA HB . 15833 1 498 . 1 1 47 47 ALA HB3 H 1 1.28 . . 1 . . . . 47 ALA HB . 15833 1 499 . 1 1 47 47 ALA CA C 13 55.8 . . 1 . . . . 47 ALA CA . 15833 1 500 . 1 1 47 47 ALA CB C 13 17.4 . . 1 . . . . 47 ALA CB . 15833 1 501 . 1 1 47 47 ALA N N 15 124.4 . . 1 . . . . 47 ALA N . 15833 1 502 . 1 1 48 48 ASN H H 1 8.73 . . 1 . . . . 48 ASN HN . 15833 1 503 . 1 1 48 48 ASN HA H 1 4.62 . . 1 . . . . 48 ASN HA . 15833 1 504 . 1 1 48 48 ASN HB2 H 1 2.84 . . 2 . . . . 48 ASN HB2 . 15833 1 505 . 1 1 48 48 ASN HB3 H 1 2.93 . . 2 . . . . 48 ASN HB3 . 15833 1 506 . 1 1 48 48 ASN HD21 H 1 7.02 . . 2 . . . . 48 ASN HD21 . 15833 1 507 . 1 1 48 48 ASN HD22 H 1 7.61 . . 2 . . . . 48 ASN HD22 . 15833 1 508 . 1 1 48 48 ASN CA C 13 55.8 . . 1 . . . . 48 ASN CA . 15833 1 509 . 1 1 48 48 ASN CB C 13 37.6 . . 1 . . . . 48 ASN CB . 15833 1 510 . 1 1 48 48 ASN N N 15 118.1 . . 1 . . . . 48 ASN N . 15833 1 511 . 1 1 48 48 ASN ND2 N 15 111.1 . . 1 . . . . 48 ASN ND2 . 15833 1 512 . 1 1 49 49 ALA H H 1 8.12 . . 1 . . . . 49 ALA HN . 15833 1 513 . 1 1 49 49 ALA HA H 1 4.17 . . 1 . . . . 49 ALA HA . 15833 1 514 . 1 1 49 49 ALA HB1 H 1 1.46 . . 1 . . . . 49 ALA HB . 15833 1 515 . 1 1 49 49 ALA HB2 H 1 1.46 . . 1 . . . . 49 ALA HB . 15833 1 516 . 1 1 49 49 ALA HB3 H 1 1.46 . . 1 . . . . 49 ALA HB . 15833 1 517 . 1 1 49 49 ALA CA C 13 53.9 . . 1 . . . . 49 ALA CA . 15833 1 518 . 1 1 49 49 ALA CB C 13 18.3 . . 1 . . . . 49 ALA CB . 15833 1 519 . 1 1 49 49 ALA N N 15 121.7 . . 1 . . . . 49 ALA N . 15833 1 520 . 1 1 50 50 HIS H H 1 7.51 . . 1 . . . . 50 HIS HN . 15833 1 521 . 1 1 50 50 HIS HA H 1 4.75 . . 1 . . . . 50 HIS HA . 15833 1 522 . 1 1 50 50 HIS HB2 H 1 2.78 . . 2 . . . . 50 HIS HB2 . 15833 1 523 . 1 1 50 50 HIS HB3 H 1 3.77 . . 2 . . . . 50 HIS HB3 . 15833 1 524 . 1 1 50 50 HIS HD2 H 1 7.58 . . 1 . . . . 50 HIS HD2 . 15833 1 525 . 1 1 50 50 HIS CA C 13 55.1 . . 1 . . . . 50 HIS CA . 15833 1 526 . 1 1 50 50 HIS CB C 13 29.5 . . 1 . . . . 50 HIS CB . 15833 1 527 . 1 1 50 50 HIS CD2 C 13 120.5 . . 1 . . . . 50 HIS CD2 . 15833 1 528 . 1 1 50 50 HIS CE1 C 13 136.3 . . 1 . . . . 50 HIS CE1 . 15833 1 529 . 1 1 50 50 HIS N N 15 112.7 . . 1 . . . . 50 HIS N . 15833 1 530 . 1 1 51 51 GLY H H 1 7.82 . . 1 . . . . 51 GLY HN . 15833 1 531 . 1 1 51 51 GLY HA2 H 1 3.99 . . 2 . . . . 51 GLY HA1 . 15833 1 532 . 1 1 51 51 GLY HA3 H 1 3.99 . . 2 . . . . 51 GLY HA2 . 15833 1 533 . 1 1 51 51 GLY CA C 13 47.0 . . 1 . . . . 51 GLY CA . 15833 1 534 . 1 1 51 51 GLY N N 15 109.4 . . 1 . . . . 51 GLY N . 15833 1 535 . 1 1 52 52 LEU H H 1 8.16 . . 1 . . . . 52 LEU HN . 15833 1 536 . 1 1 52 52 LEU HA H 1 4.60 . . 1 . . . . 52 LEU HA . 15833 1 537 . 1 1 52 52 LEU HB2 H 1 1.36 . . 2 . . . . 52 LEU HB2 . 15833 1 538 . 1 1 52 52 LEU HB3 H 1 1.50 . . 2 . . . . 52 LEU HB3 . 15833 1 539 . 1 1 52 52 LEU HD11 H 1 1.06 . . 1 . . . . 52 LEU HD1 . 15833 1 540 . 1 1 52 52 LEU HD12 H 1 1.06 . . 1 . . . . 52 LEU HD1 . 15833 1 541 . 1 1 52 52 LEU HD13 H 1 1.06 . . 1 . . . . 52 LEU HD1 . 15833 1 542 . 1 1 52 52 LEU HD21 H 1 1.07 . . 1 . . . . 52 LEU HD2 . 15833 1 543 . 1 1 52 52 LEU HD22 H 1 1.07 . . 1 . . . . 52 LEU HD2 . 15833 1 544 . 1 1 52 52 LEU HD23 H 1 1.07 . . 1 . . . . 52 LEU HD2 . 15833 1 545 . 1 1 52 52 LEU HG H 1 1.67 . . 1 . . . . 52 LEU HG . 15833 1 546 . 1 1 52 52 LEU CA C 13 52.7 . . 1 . . . . 52 LEU CA . 15833 1 547 . 1 1 52 52 LEU CB C 13 44.5 . . 1 . . . . 52 LEU CB . 15833 1 548 . 1 1 52 52 LEU CD1 C 13 26.8 . . 1 . . . . 52 LEU CD1 . 15833 1 549 . 1 1 52 52 LEU CD2 C 13 22.3 . . 1 . . . . 52 LEU CD2 . 15833 1 550 . 1 1 52 52 LEU CG C 13 26.4 . . 1 . . . . 52 LEU CG . 15833 1 551 . 1 1 52 52 LEU N N 15 118.7 . . 1 . . . . 52 LEU N . 15833 1 552 . 1 1 53 53 ASN H H 1 8.81 . . 1 . . . . 53 ASN HN . 15833 1 553 . 1 1 53 53 ASN HA H 1 4.81 . . 1 . . . . 53 ASN HA . 15833 1 554 . 1 1 53 53 ASN HB2 H 1 3.12 . . 2 . . . . 53 ASN HB2 . 15833 1 555 . 1 1 53 53 ASN HB3 H 1 2.73 . . 2 . . . . 53 ASN HB3 . 15833 1 556 . 1 1 53 53 ASN HD21 H 1 6.99 . . 2 . . . . 53 ASN HD21 . 15833 1 557 . 1 1 53 53 ASN HD22 H 1 7.59 . . 2 . . . . 53 ASN HD22 . 15833 1 558 . 1 1 53 53 ASN CA C 13 51.3 . . 1 . . . . 53 ASN CA . 15833 1 559 . 1 1 53 53 ASN CB C 13 38.0 . . 1 . . . . 53 ASN CB . 15833 1 560 . 1 1 53 53 ASN N N 15 119.3 . . 1 . . . . 53 ASN N . 15833 1 561 . 1 1 53 53 ASN ND2 N 15 112.4 . . 1 . . . . 53 ASN ND2 . 15833 1 562 . 1 1 54 54 VAL H H 1 9.34 . . 1 . . . . 54 VAL HN . 15833 1 563 . 1 1 54 54 VAL HA H 1 3.48 . . 1 . . . . 54 VAL HA . 15833 1 564 . 1 1 54 54 VAL HB H 1 2.08 . . 1 . . . . 54 VAL HB . 15833 1 565 . 1 1 54 54 VAL HG11 H 1 0.90 . . 1 . . . . 54 VAL HG1 . 15833 1 566 . 1 1 54 54 VAL HG12 H 1 0.90 . . 1 . . . . 54 VAL HG1 . 15833 1 567 . 1 1 54 54 VAL HG13 H 1 0.90 . . 1 . . . . 54 VAL HG1 . 15833 1 568 . 1 1 54 54 VAL HG21 H 1 0.72 . . 1 . . . . 54 VAL HG2 . 15833 1 569 . 1 1 54 54 VAL HG22 H 1 0.72 . . 1 . . . . 54 VAL HG2 . 15833 1 570 . 1 1 54 54 VAL HG23 H 1 0.72 . . 1 . . . . 54 VAL HG2 . 15833 1 571 . 1 1 54 54 VAL CA C 13 64.2 . . 1 . . . . 54 VAL CA . 15833 1 572 . 1 1 54 54 VAL CB C 13 31.5 . . 1 . . . . 54 VAL CB . 15833 1 573 . 1 1 54 54 VAL CG1 C 13 20.0 . . 1 . . . . 54 VAL CG1 . 15833 1 574 . 1 1 54 54 VAL CG2 C 13 21.8 . . 1 . . . . 54 VAL CG2 . 15833 1 575 . 1 1 54 54 VAL N N 15 127.6 . . 1 . . . . 54 VAL N . 15833 1 576 . 1 1 55 55 GLU H H 1 8.25 . . 1 . . . . 55 GLU HN . 15833 1 577 . 1 1 55 55 GLU HA H 1 3.86 . . 1 . . . . 55 GLU HA . 15833 1 578 . 1 1 55 55 GLU HB2 H 1 1.85 . . 2 . . . . 55 GLU HB2 . 15833 1 579 . 1 1 55 55 GLU HB3 H 1 1.97 . . 2 . . . . 55 GLU HB3 . 15833 1 580 . 1 1 55 55 GLU HG2 H 1 2.22 . . 2 . . . . 55 GLU HG2 . 15833 1 581 . 1 1 55 55 GLU HG3 H 1 2.37 . . 2 . . . . 55 GLU HG3 . 15833 1 582 . 1 1 55 55 GLU CA C 13 58.8 . . 1 . . . . 55 GLU CA . 15833 1 583 . 1 1 55 55 GLU CB C 13 28.4 . . 1 . . . . 55 GLU CB . 15833 1 584 . 1 1 55 55 GLU CG C 13 35.6 . . 1 . . . . 55 GLU CG . 15833 1 585 . 1 1 55 55 GLU N N 15 119.3 . . 1 . . . . 55 GLU N . 15833 1 586 . 1 1 56 56 ASP H H 1 7.42 . . 1 . . . . 56 ASP HN . 15833 1 587 . 1 1 56 56 ASP HA H 1 4.25 . . 1 . . . . 56 ASP HA . 15833 1 588 . 1 1 56 56 ASP HB2 H 1 2.79 . . 2 . . . . 56 ASP HB2 . 15833 1 589 . 1 1 56 56 ASP HB3 H 1 3.00 . . 2 . . . . 56 ASP HB3 . 15833 1 590 . 1 1 56 56 ASP CA C 13 57.2 . . 1 . . . . 56 ASP CA . 15833 1 591 . 1 1 56 56 ASP CB C 13 39.3 . . 1 . . . . 56 ASP CB . 15833 1 592 . 1 1 56 56 ASP N N 15 120.7 . . 1 . . . . 56 ASP N . 15833 1 593 . 1 1 57 57 ILE H H 1 6.35 . . 1 . . . . 57 ILE HN . 15833 1 594 . 1 1 57 57 ILE HA H 1 3.05 . . 1 . . . . 57 ILE HA . 15833 1 595 . 1 1 57 57 ILE HB H 1 1.39 . . 1 . . . . 57 ILE HB . 15833 1 596 . 1 1 57 57 ILE HD11 H 1 0.33 . . 1 . . . . 57 ILE HD1 . 15833 1 597 . 1 1 57 57 ILE HD12 H 1 0.33 . . 1 . . . . 57 ILE HD1 . 15833 1 598 . 1 1 57 57 ILE HD13 H 1 0.33 . . 1 . . . . 57 ILE HD1 . 15833 1 599 . 1 1 57 57 ILE HG12 H 1 -0.52 . . 2 . . . . 57 ILE HG12 . 15833 1 600 . 1 1 57 57 ILE HG13 H 1 0.78 . . 2 . . . . 57 ILE HG13 . 15833 1 601 . 1 1 57 57 ILE HG21 H 1 0.31 . . 1 . . . . 57 ILE HG2 . 15833 1 602 . 1 1 57 57 ILE HG22 H 1 0.31 . . 1 . . . . 57 ILE HG2 . 15833 1 603 . 1 1 57 57 ILE HG23 H 1 0.31 . . 1 . . . . 57 ILE HG2 . 15833 1 604 . 1 1 57 57 ILE CA C 13 64.6 . . 1 . . . . 57 ILE CA . 15833 1 605 . 1 1 57 57 ILE CB C 13 37.7 . . 1 . . . . 57 ILE CB . 15833 1 606 . 1 1 57 57 ILE CD1 C 13 14.2 . . 1 . . . . 57 ILE CD1 . 15833 1 607 . 1 1 57 57 ILE CG1 C 13 26.2 . . 1 . . . . 57 ILE CG1 . 15833 1 608 . 1 1 57 57 ILE CG2 C 13 16.0 . . 1 . . . . 57 ILE CG2 . 15833 1 609 . 1 1 57 57 ILE N N 15 118.2 . . 1 . . . . 57 ILE N . 15833 1 610 . 1 1 58 58 LEU H H 1 8.35 . . 1 . . . . 58 LEU HN . 15833 1 611 . 1 1 58 58 LEU HA H 1 3.56 . . 1 . . . . 58 LEU HA . 15833 1 612 . 1 1 58 58 LEU HB2 H 1 1.73 . . 2 . . . . 58 LEU HB2 . 15833 1 613 . 1 1 58 58 LEU HB3 H 1 1.18 . . 2 . . . . 58 LEU HB3 . 15833 1 614 . 1 1 58 58 LEU HD11 H 1 0.70 . . 1 . . . . 58 LEU HD1 . 15833 1 615 . 1 1 58 58 LEU HD12 H 1 0.70 . . 1 . . . . 58 LEU HD1 . 15833 1 616 . 1 1 58 58 LEU HD13 H 1 0.70 . . 1 . . . . 58 LEU HD1 . 15833 1 617 . 1 1 58 58 LEU HD21 H 1 0.37 . . 1 . . . . 58 LEU HD2 . 15833 1 618 . 1 1 58 58 LEU HD22 H 1 0.37 . . 1 . . . . 58 LEU HD2 . 15833 1 619 . 1 1 58 58 LEU HD23 H 1 0.37 . . 1 . . . . 58 LEU HD2 . 15833 1 620 . 1 1 58 58 LEU HG H 1 1.59 . . 1 . . . . 58 LEU HG . 15833 1 621 . 1 1 58 58 LEU CA C 13 57.4 . . 1 . . . . 58 LEU CA . 15833 1 622 . 1 1 58 58 LEU CB C 13 41.0 . . 1 . . . . 58 LEU CB . 15833 1 623 . 1 1 58 58 LEU CD1 C 13 26.0 . . 1 . . . . 58 LEU CD1 . 15833 1 624 . 1 1 58 58 LEU CD2 C 13 22.4 . . 1 . . . . 58 LEU CD2 . 15833 1 625 . 1 1 58 58 LEU CG C 13 25.7 . . 1 . . . . 58 LEU CG . 15833 1 626 . 1 1 58 58 LEU N N 15 116.8 . . 1 . . . . 58 LEU N . 15833 1 627 . 1 1 59 59 ARG H H 1 7.72 . . 1 . . . . 59 ARG HN . 15833 1 628 . 1 1 59 59 ARG HA H 1 3.94 . . 1 . . . . 59 ARG HA . 15833 1 629 . 1 1 59 59 ARG HB2 H 1 1.94 . . 2 . . . . 59 ARG HB2 . 15833 1 630 . 1 1 59 59 ARG HB3 H 1 2.00 . . 2 . . . . 59 ARG HB3 . 15833 1 631 . 1 1 59 59 ARG HD2 H 1 3.21 . . 2 . . . . 59 ARG HD2 . 15833 1 632 . 1 1 59 59 ARG HD3 H 1 3.21 . . 2 . . . . 59 ARG HD3 . 15833 1 633 . 1 1 59 59 ARG HE H 1 7.01 . . 1 . . . . 59 ARG HE . 15833 1 634 . 1 1 59 59 ARG HG2 H 1 1.39 . . 2 . . . . 59 ARG HG2 . 15833 1 635 . 1 1 59 59 ARG HG3 H 1 1.74 . . 2 . . . . 59 ARG HG3 . 15833 1 636 . 1 1 59 59 ARG CA C 13 59.4 . . 1 . . . . 59 ARG CA . 15833 1 637 . 1 1 59 59 ARG CB C 13 29.3 . . 1 . . . . 59 ARG CB . 15833 1 638 . 1 1 59 59 ARG CD C 13 43.5 . . 1 . . . . 59 ARG CD . 15833 1 639 . 1 1 59 59 ARG CG C 13 27.1 . . 1 . . . . 59 ARG CG . 15833 1 640 . 1 1 59 59 ARG N N 15 120.4 . . 1 . . . . 59 ARG N . 15833 1 641 . 1 1 59 59 ARG NE N 15 84.5 . . 1 . . . . 59 ARG NE . 15833 1 642 . 1 1 60 60 ASP H H 1 7.28 . . 1 . . . . 60 ASP HN . 15833 1 643 . 1 1 60 60 ASP HA H 1 4.38 . . 1 . . . . 60 ASP HA . 15833 1 644 . 1 1 60 60 ASP HB2 H 1 2.70 . . 2 . . . . 60 ASP HB2 . 15833 1 645 . 1 1 60 60 ASP HB3 H 1 2.58 . . 2 . . . . 60 ASP HB3 . 15833 1 646 . 1 1 60 60 ASP CA C 13 56.8 . . 1 . . . . 60 ASP CA . 15833 1 647 . 1 1 60 60 ASP CB C 13 40.6 . . 1 . . . . 60 ASP CB . 15833 1 648 . 1 1 60 60 ASP N N 15 119.5 . . 1 . . . . 60 ASP N . 15833 1 649 . 1 1 61 61 LEU H H 1 8.29 . . 1 . . . . 61 LEU HN . 15833 1 650 . 1 1 61 61 LEU HA H 1 3.59 . . 1 . . . . 61 LEU HA . 15833 1 651 . 1 1 61 61 LEU HB2 H 1 -0.50 . . 2 . . . . 61 LEU HB2 . 15833 1 652 . 1 1 61 61 LEU HB3 H 1 1.06 . . 2 . . . . 61 LEU HB3 . 15833 1 653 . 1 1 61 61 LEU HD11 H 1 0.27 . . 1 . . . . 61 LEU HD1 . 15833 1 654 . 1 1 61 61 LEU HD12 H 1 0.27 . . 1 . . . . 61 LEU HD1 . 15833 1 655 . 1 1 61 61 LEU HD13 H 1 0.27 . . 1 . . . . 61 LEU HD1 . 15833 1 656 . 1 1 61 61 LEU HD21 H 1 0.34 . . 1 . . . . 61 LEU HD2 . 15833 1 657 . 1 1 61 61 LEU HD22 H 1 0.34 . . 1 . . . . 61 LEU HD2 . 15833 1 658 . 1 1 61 61 LEU HD23 H 1 0.34 . . 1 . . . . 61 LEU HD2 . 15833 1 659 . 1 1 61 61 LEU HG H 1 1.58 . . 1 . . . . 61 LEU HG . 15833 1 660 . 1 1 61 61 LEU CA C 13 56.7 . . 1 . . . . 61 LEU CA . 15833 1 661 . 1 1 61 61 LEU CB C 13 39.4 . . 1 . . . . 61 LEU CB . 15833 1 662 . 1 1 61 61 LEU CD1 C 13 26.4 . . 1 . . . . 61 LEU CD1 . 15833 1 663 . 1 1 61 61 LEU CD2 C 13 24.3 . . 1 . . . . 61 LEU CD2 . 15833 1 664 . 1 1 61 61 LEU CG C 13 25.4 . . 1 . . . . 61 LEU CG . 15833 1 665 . 1 1 61 61 LEU N N 15 120.2 . . 1 . . . . 61 LEU N . 15833 1 666 . 1 1 62 62 ASN H H 1 8.80 . . 1 . . . . 62 ASN HN . 15833 1 667 . 1 1 62 62 ASN HA H 1 4.71 . . 1 . . . . 62 ASN HA . 15833 1 668 . 1 1 62 62 ASN HB2 H 1 2.77 . . 2 . . . . 62 ASN HB2 . 15833 1 669 . 1 1 62 62 ASN HB3 H 1 2.82 . . 2 . . . . 62 ASN HB3 . 15833 1 670 . 1 1 62 62 ASN HD21 H 1 7.05 . . 2 . . . . 62 ASN HD21 . 15833 1 671 . 1 1 62 62 ASN HD22 H 1 7.50 . . 2 . . . . 62 ASN HD22 . 15833 1 672 . 1 1 62 62 ASN CA C 13 56.0 . . 1 . . . . 62 ASN CA . 15833 1 673 . 1 1 62 62 ASN CB C 13 37.7 . . 1 . . . . 62 ASN CB . 15833 1 674 . 1 1 62 62 ASN N N 15 115.7 . . 1 . . . . 62 ASN N . 15833 1 675 . 1 1 62 62 ASN ND2 N 15 114.4 . . 1 . . . . 62 ASN ND2 . 15833 1 676 . 1 1 63 63 ALA H H 1 7.42 . . 1 . . . . 63 ALA HN . 15833 1 677 . 1 1 63 63 ALA HA H 1 4.23 . . 1 . . . . 63 ALA HA . 15833 1 678 . 1 1 63 63 ALA HB1 H 1 1.45 . . 1 . . . . 63 ALA HB . 15833 1 679 . 1 1 63 63 ALA HB2 H 1 1.45 . . 1 . . . . 63 ALA HB . 15833 1 680 . 1 1 63 63 ALA HB3 H 1 1.45 . . 1 . . . . 63 ALA HB . 15833 1 681 . 1 1 63 63 ALA CA C 13 53.3 . . 1 . . . . 63 ALA CA . 15833 1 682 . 1 1 63 63 ALA CB C 13 18.2 . . 1 . . . . 63 ALA CB . 15833 1 683 . 1 1 63 63 ALA N N 15 121.3 . . 1 . . . . 63 ALA N . 15833 1 684 . 1 1 64 64 LEU H H 1 7.33 . . 1 . . . . 64 LEU HN . 15833 1 685 . 1 1 64 64 LEU HA H 1 3.85 . . 1 . . . . 64 LEU HA . 15833 1 686 . 1 1 64 64 LEU HB2 H 1 0.32 . . 2 . . . . 64 LEU HB2 . 15833 1 687 . 1 1 64 64 LEU HB3 H 1 1.56 . . 2 . . . . 64 LEU HB3 . 15833 1 688 . 1 1 64 64 LEU HD11 H 1 0.52 . . 1 . . . . 64 LEU HD1 . 15833 1 689 . 1 1 64 64 LEU HD12 H 1 0.52 . . 1 . . . . 64 LEU HD1 . 15833 1 690 . 1 1 64 64 LEU HD13 H 1 0.52 . . 1 . . . . 64 LEU HD1 . 15833 1 691 . 1 1 64 64 LEU HD21 H 1 0.64 . . 1 . . . . 64 LEU HD2 . 15833 1 692 . 1 1 64 64 LEU HD22 H 1 0.64 . . 1 . . . . 64 LEU HD2 . 15833 1 693 . 1 1 64 64 LEU HD23 H 1 0.64 . . 1 . . . . 64 LEU HD2 . 15833 1 694 . 1 1 64 64 LEU HG H 1 1.70 . . 1 . . . . 64 LEU HG . 15833 1 695 . 1 1 64 64 LEU CA C 13 56.6 . . 1 . . . . 64 LEU CA . 15833 1 696 . 1 1 64 64 LEU CB C 13 40.5 . . 1 . . . . 64 LEU CB . 15833 1 697 . 1 1 64 64 LEU CD1 C 13 25.4 . . 1 . . . . 64 LEU CD1 . 15833 1 698 . 1 1 64 64 LEU CD2 C 13 22.3 . . 1 . . . . 64 LEU CD2 . 15833 1 699 . 1 1 64 64 LEU CG C 13 25.6 . . 1 . . . . 64 LEU CG . 15833 1 700 . 1 1 64 64 LEU N N 15 118.9 . . 1 . . . . 64 LEU N . 15833 1 701 . 1 1 65 65 ALA H H 1 7.71 . . 1 . . . . 65 ALA HN . 15833 1 702 . 1 1 65 65 ALA HA H 1 4.29 . . 1 . . . . 65 ALA HA . 15833 1 703 . 1 1 65 65 ALA HB1 H 1 1.45 . . 1 . . . . 65 ALA HB . 15833 1 704 . 1 1 65 65 ALA HB2 H 1 1.45 . . 1 . . . . 65 ALA HB . 15833 1 705 . 1 1 65 65 ALA HB3 H 1 1.45 . . 1 . . . . 65 ALA HB . 15833 1 706 . 1 1 65 65 ALA CA C 13 52.2 . . 1 . . . . 65 ALA CA . 15833 1 707 . 1 1 65 65 ALA CB C 13 19.1 . . 1 . . . . 65 ALA CB . 15833 1 708 . 1 1 65 65 ALA N N 15 119.4 . . 1 . . . . 65 ALA N . 15833 1 709 . 1 1 66 66 LEU H H 1 7.62 . . 1 . . . . 66 LEU HN . 15833 1 710 . 1 1 66 66 LEU HA H 1 4.27 . . 1 . . . . 66 LEU HA . 15833 1 711 . 1 1 66 66 LEU HB2 H 1 1.63 . . 2 . . . . 66 LEU HB2 . 15833 1 712 . 1 1 66 66 LEU HB3 H 1 1.50 . . 2 . . . . 66 LEU HB3 . 15833 1 713 . 1 1 66 66 LEU HD11 H 1 0.89 . . 1 . . . . 66 LEU HD1 . 15833 1 714 . 1 1 66 66 LEU HD12 H 1 0.89 . . 1 . . . . 66 LEU HD1 . 15833 1 715 . 1 1 66 66 LEU HD13 H 1 0.89 . . 1 . . . . 66 LEU HD1 . 15833 1 716 . 1 1 66 66 LEU HD21 H 1 0.83 . . 1 . . . . 66 LEU HD2 . 15833 1 717 . 1 1 66 66 LEU HD22 H 1 0.83 . . 1 . . . . 66 LEU HD2 . 15833 1 718 . 1 1 66 66 LEU HD23 H 1 0.83 . . 1 . . . . 66 LEU HD2 . 15833 1 719 . 1 1 66 66 LEU HG H 1 1.64 . . 1 . . . . 66 LEU HG . 15833 1 720 . 1 1 66 66 LEU CA C 13 54.9 . . 1 . . . . 66 LEU CA . 15833 1 721 . 1 1 66 66 LEU CB C 13 42.2 . . 1 . . . . 66 LEU CB . 15833 1 722 . 1 1 66 66 LEU CD1 C 13 24.8 . . 1 . . . . 66 LEU CD1 . 15833 1 723 . 1 1 66 66 LEU CD2 C 13 23.0 . . 1 . . . . 66 LEU CD2 . 15833 1 724 . 1 1 66 66 LEU CG C 13 26.8 . . 1 . . . . 66 LEU CG . 15833 1 725 . 1 1 66 66 LEU N N 15 120.1 . . 1 . . . . 66 LEU N . 15833 1 726 . 1 1 67 67 GLU H H 1 8.10 . . 1 . . . . 67 GLU HN . 15833 1 727 . 1 1 67 67 GLU HA H 1 4.15 . . 1 . . . . 67 GLU HA . 15833 1 728 . 1 1 67 67 GLU HB2 H 1 1.89 . . 2 . . . . 67 GLU HB2 . 15833 1 729 . 1 1 67 67 GLU HB3 H 1 1.89 . . 2 . . . . 67 GLU HB3 . 15833 1 730 . 1 1 67 67 GLU HG2 H 1 2.16 . . 2 . . . . 67 GLU HG2 . 15833 1 731 . 1 1 67 67 GLU HG3 H 1 2.23 . . 2 . . . . 67 GLU HG3 . 15833 1 732 . 1 1 67 67 GLU CA C 13 56.3 . . 1 . . . . 67 GLU CA . 15833 1 733 . 1 1 67 67 GLU CB C 13 29.7 . . 1 . . . . 67 GLU CB . 15833 1 734 . 1 1 67 67 GLU CG C 13 35.6 . . 1 . . . . 67 GLU CG . 15833 1 735 . 1 1 67 67 GLU N N 15 120.9 . . 1 . . . . 67 GLU N . 15833 1 736 . 1 1 68 68 HIS H H 1 8.55 . . 1 . . . . 68 HIS HN . 15833 1 737 . 1 1 68 68 HIS HA H 1 4.63 . . 1 . . . . 68 HIS HA . 15833 1 738 . 1 1 68 68 HIS HB2 H 1 3.16 . . 2 . . . . 68 HIS HB2 . 15833 1 739 . 1 1 68 68 HIS HB3 H 1 3.06 . . 2 . . . . 68 HIS HB3 . 15833 1 740 . 1 1 68 68 HIS HD2 H 1 7.21 . . 1 . . . . 68 HIS HD2 . 15833 1 741 . 1 1 68 68 HIS CA C 13 55.1 . . 1 . . . . 68 HIS CA . 15833 1 742 . 1 1 68 68 HIS CB C 13 28.8 . . 1 . . . . 68 HIS CB . 15833 1 743 . 1 1 68 68 HIS N N 15 119.5 . . 1 . . . . 68 HIS N . 15833 1 stop_ save_