data_16206 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16206 _Entry.Title ; THE RRM DOMAIN IN GW182 PROTEINS CONTRIBUTES TO MIRNA-MEDIATED GENE SILENCING ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-09 _Entry.Accession_date 2009-03-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype NMR _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 A. Eulalio A. . . 16206 2 F. Tritschler F. . . 16206 3 R. Buettner R. . . 16206 4 O. Weichenrieder O. . . 16206 5 E. Izaurralde E. . . 16206 6 V. Truffault V. . . 16206 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ARGONAUTE . 16206 GW182 . 16206 MIRNAS . 16206 'MRNA DECAY' . 16206 NMR . 16206 P-BODIES . 16206 RBD . 16206 RRM . 16206 TNRC6A . 16206 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16206 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 16206 '15N chemical shifts' 94 16206 '1H chemical shifts' 600 16206 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-05-21 2009-03-09 update BMRB 'complete entry citation' 16206 1 . . 2009-03-30 2009-03-09 original author 'original release' 16206 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2wbr . 16206 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16206 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19295135 _Citation.Full_citation . _Citation.Title 'The RRM Domain in GW182 Proteins Contributes to miRNA-mediated gene silencing' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 37 _Citation.Journal_issue 9 _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 2974 _Citation.Page_last 2983 _Citation.Year 2009 _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 Ana Eulalio A. . . 16206 1 2 Felix Tritschler F. . . 16206 1 3 Regina Buettner R. . . 16206 1 4 Oliver Weichenrieder O. . . 16206 1 5 Elisa Izaurralde E. . . 16206 1 6 Vincent Truffault V. . . 16206 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16206 _Assembly.ID 1 _Assembly.Name 'RRM DOMAIN OF GW182' _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 'RRM DOMAIN OF GW182' 1 $RRM_DOMAIN_OF_GW182 A . yes native no no . . . 16206 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM_DOMAIN_OF_GW182 _Entity.Sf_category entity _Entity.Sf_framecode RRM_DOMAIN_OF_GW182 _Entity.Entry_ID 16206 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM_DOMAIN_OF_GW182 _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 ; GAMAWGSSWLLLKNLTAQID GPTLRTLCMQHGPLVSFHPY LNQGIALCKYTTREEANKAQ MALNNCVLANTTIFAESPSE NEVQSIMQH ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RRM DOMAIN' _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 2014-05-12 loop_ _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 no PDB 2WBR . "The Rrm Domain In Gw182 Proteins Contributes To Mirna- Mediated Gene Silencing" . . . . . 100.00 89 100.00 100.00 4.15e-59 . . . . 16206 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16206 1 2 . ALA . 16206 1 3 . MET . 16206 1 4 . ALA . 16206 1 5 . TRP . 16206 1 6 . GLY . 16206 1 7 . SER . 16206 1 8 . SER . 16206 1 9 . TRP . 16206 1 10 . LEU . 16206 1 11 . LEU . 16206 1 12 . LEU . 16206 1 13 . LYS . 16206 1 14 . ASN . 16206 1 15 . LEU . 16206 1 16 . THR . 16206 1 17 . ALA . 16206 1 18 . GLN . 16206 1 19 . ILE . 16206 1 20 . ASP . 16206 1 21 . GLY . 16206 1 22 . PRO . 16206 1 23 . THR . 16206 1 24 . LEU . 16206 1 25 . ARG . 16206 1 26 . THR . 16206 1 27 . LEU . 16206 1 28 . CYS . 16206 1 29 . MET . 16206 1 30 . GLN . 16206 1 31 . HIS . 16206 1 32 . GLY . 16206 1 33 . PRO . 16206 1 34 . LEU . 16206 1 35 . VAL . 16206 1 36 . SER . 16206 1 37 . PHE . 16206 1 38 . HIS . 16206 1 39 . PRO . 16206 1 40 . TYR . 16206 1 41 . LEU . 16206 1 42 . ASN . 16206 1 43 . GLN . 16206 1 44 . GLY . 16206 1 45 . ILE . 16206 1 46 . ALA . 16206 1 47 . LEU . 16206 1 48 . CYS . 16206 1 49 . LYS . 16206 1 50 . TYR . 16206 1 51 . THR . 16206 1 52 . THR . 16206 1 53 . ARG . 16206 1 54 . GLU . 16206 1 55 . GLU . 16206 1 56 . ALA . 16206 1 57 . ASN . 16206 1 58 . LYS . 16206 1 59 . ALA . 16206 1 60 . GLN . 16206 1 61 . MET . 16206 1 62 . ALA . 16206 1 63 . LEU . 16206 1 64 . ASN . 16206 1 65 . ASN . 16206 1 66 . CYS . 16206 1 67 . VAL . 16206 1 68 . LEU . 16206 1 69 . ALA . 16206 1 70 . ASN . 16206 1 71 . THR . 16206 1 72 . THR . 16206 1 73 . ILE . 16206 1 74 . PHE . 16206 1 75 . ALA . 16206 1 76 . GLU . 16206 1 77 . SER . 16206 1 78 . PRO . 16206 1 79 . SER . 16206 1 80 . GLU . 16206 1 81 . ASN . 16206 1 82 . GLU . 16206 1 83 . VAL . 16206 1 84 . GLN . 16206 1 85 . SER . 16206 1 86 . ILE . 16206 1 87 . MET . 16206 1 88 . GLN . 16206 1 89 . HIS . 16206 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16206 1 . ALA 2 2 16206 1 . MET 3 3 16206 1 . ALA 4 4 16206 1 . TRP 5 5 16206 1 . GLY 6 6 16206 1 . SER 7 7 16206 1 . SER 8 8 16206 1 . TRP 9 9 16206 1 . LEU 10 10 16206 1 . LEU 11 11 16206 1 . LEU 12 12 16206 1 . LYS 13 13 16206 1 . ASN 14 14 16206 1 . LEU 15 15 16206 1 . THR 16 16 16206 1 . ALA 17 17 16206 1 . GLN 18 18 16206 1 . ILE 19 19 16206 1 . ASP 20 20 16206 1 . GLY 21 21 16206 1 . PRO 22 22 16206 1 . THR 23 23 16206 1 . LEU 24 24 16206 1 . ARG 25 25 16206 1 . THR 26 26 16206 1 . LEU 27 27 16206 1 . CYS 28 28 16206 1 . MET 29 29 16206 1 . GLN 30 30 16206 1 . HIS 31 31 16206 1 . GLY 32 32 16206 1 . PRO 33 33 16206 1 . LEU 34 34 16206 1 . VAL 35 35 16206 1 . SER 36 36 16206 1 . PHE 37 37 16206 1 . HIS 38 38 16206 1 . PRO 39 39 16206 1 . TYR 40 40 16206 1 . LEU 41 41 16206 1 . ASN 42 42 16206 1 . GLN 43 43 16206 1 . GLY 44 44 16206 1 . ILE 45 45 16206 1 . ALA 46 46 16206 1 . LEU 47 47 16206 1 . CYS 48 48 16206 1 . LYS 49 49 16206 1 . TYR 50 50 16206 1 . THR 51 51 16206 1 . THR 52 52 16206 1 . ARG 53 53 16206 1 . GLU 54 54 16206 1 . GLU 55 55 16206 1 . ALA 56 56 16206 1 . ASN 57 57 16206 1 . LYS 58 58 16206 1 . ALA 59 59 16206 1 . GLN 60 60 16206 1 . MET 61 61 16206 1 . ALA 62 62 16206 1 . LEU 63 63 16206 1 . ASN 64 64 16206 1 . ASN 65 65 16206 1 . CYS 66 66 16206 1 . VAL 67 67 16206 1 . LEU 68 68 16206 1 . ALA 69 69 16206 1 . ASN 70 70 16206 1 . THR 71 71 16206 1 . THR 72 72 16206 1 . ILE 73 73 16206 1 . PHE 74 74 16206 1 . ALA 75 75 16206 1 . GLU 76 76 16206 1 . SER 77 77 16206 1 . PRO 78 78 16206 1 . SER 79 79 16206 1 . GLU 80 80 16206 1 . ASN 81 81 16206 1 . GLU 82 82 16206 1 . VAL 83 83 16206 1 . GLN 84 84 16206 1 . SER 85 85 16206 1 . ILE 86 86 16206 1 . MET 87 87 16206 1 . GLN 88 88 16206 1 . HIS 89 89 16206 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 16206 _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 $RRM_DOMAIN_OF_GW182 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 16206 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 16206 _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 $RRM_DOMAIN_OF_GW182 . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI 'BL21(DE3) ROSETTA 2' . . . . . . . . . . . . . . . PETM60 . . . . . . 16206 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16206 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% WATER/90% D2O' _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 'RRM DOMAIN OF GW182' '[U-100% 13C; U-100% 15N]' . . 1 $RRM_DOMAIN_OF_GW182 . . 1 . . mM . . . . 16206 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16206 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% WATER/90% D2O' _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 'RRM DOMAIN OF GW182' '[U-100% 15N]' . . 1 $RRM_DOMAIN_OF_GW182 . . 1 . . mM . . . . 16206 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 16206 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 16206 1 pH 7.0 . pH 16206 1 pressure 1.0 . ATM 16206 1 temperature 298.0 . K 16206 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_2.9.4A _Software.Sf_category software _Software.Sf_framecode X-PLOR_2.9.4A _Software.Entry_ID 16206 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.4A _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER . . 16206 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16206 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16206 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16206 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16206 2 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 16206 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16206 _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 III' . 800 . . . 16206 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 16206 _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 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 2 CCCONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 3 CCHCOSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 4 CCHNOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 5 CCHTOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 6 CHSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 7 CNHNOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 8 HBHACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 9 HCHNOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 10 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 11 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 12 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 13 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 14 HNHA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 15 HNHB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 16 HNHNOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 17 NHSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 18 NNHNOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 1 19 NOESYNON no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16206 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 16206 _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 water protons . . . . ppm 4.75 na indirect 0.251449530 . . . . . . . . . 16206 1 H 1 water protons . . . . ppm 4.75 na direct 1.0 . . . . . . . . . 16206 1 N 15 water protons . . . . ppm 4.75 na indirect 0.101329118 . . . . . . . . . 16206 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 16206 _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 CBCACONH . . . 16206 1 2 CCCONH . . . 16206 1 3 CCHCOSY . . . 16206 1 5 CCHTOCSY . . . 16206 1 6 CHSQC . . . 16206 1 8 HBHACONH . . . 16206 1 10 HNCA . . . 16206 1 11 HNCACO . . . 16206 1 13 HNCO . . . 16206 1 14 HNHA . . . 16206 1 15 HNHB . . . 16206 1 17 NHSQC . . . 16206 1 19 NOESYNON . . . 16206 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.25 . . . . . . . 2 A HA . 16206 1 2 . 1 1 2 2 ALA HB1 H 1 1.32 . . . . . . . 2 A MB . 16206 1 3 . 1 1 2 2 ALA HB2 H 1 1.32 . . . . . . . 2 A MB . 16206 1 4 . 1 1 2 2 ALA HB3 H 1 1.32 . . . . . . . 2 A MB . 16206 1 5 . 1 1 2 2 ALA C C 13 177.69 . . . . . . . 2 A C . 16206 1 6 . 1 1 2 2 ALA CA C 13 52.58 . . . . . . . 2 A CA . 16206 1 7 . 1 1 2 2 ALA CB C 13 19.40 . . . . . . . 2 A CB . 16206 1 8 . 1 1 3 3 MET H H 1 8.39 . . . . . . . 3 M HN . 16206 1 9 . 1 1 3 3 MET HA H 1 4.34 . . . . . . . 3 M HA . 16206 1 10 . 1 1 3 3 MET HB2 H 1 1.88 . . . . . . . 3 M HB1 . 16206 1 11 . 1 1 3 3 MET HB3 H 1 1.88 . . . . . . . 3 M HB2 . 16206 1 12 . 1 1 3 3 MET HG2 H 1 2.46 . . . . . . . 3 M HG1 . 16206 1 13 . 1 1 3 3 MET HG3 H 1 2.46 . . . . . . . 3 M HG2 . 16206 1 14 . 1 1 3 3 MET C C 13 175.64 . . . . . . . 3 M C . 16206 1 15 . 1 1 3 3 MET CA C 13 55.32 . . . . . . . 3 M CA . 16206 1 16 . 1 1 3 3 MET CB C 13 32.73 . . . . . . . 3 M CB . 16206 1 17 . 1 1 3 3 MET CG C 13 31.96 . . . . . . . 3 M CG . 16206 1 18 . 1 1 3 3 MET N N 15 120.00 . . . . . . . 3 M N . 16206 1 19 . 1 1 4 4 ALA H H 1 8.17 . . . . . . . 4 A HN . 16206 1 20 . 1 1 4 4 ALA HA H 1 4.29 . . . . . . . 4 A HA . 16206 1 21 . 1 1 4 4 ALA HB1 H 1 1.25 . . . . . . . 4 A MB . 16206 1 22 . 1 1 4 4 ALA HB2 H 1 1.25 . . . . . . . 4 A MB . 16206 1 23 . 1 1 4 4 ALA HB3 H 1 1.25 . . . . . . . 4 A MB . 16206 1 24 . 1 1 4 4 ALA C C 13 176.80 . . . . . . . 4 A C . 16206 1 25 . 1 1 4 4 ALA CA C 13 52.23 . . . . . . . 4 A CA . 16206 1 26 . 1 1 4 4 ALA CB C 13 19.41 . . . . . . . 4 A CB . 16206 1 27 . 1 1 4 4 ALA N N 15 125.58 . . . . . . . 4 A N . 16206 1 28 . 1 1 5 5 TRP H H 1 8.10 . . . . . . . 5 W HN . 16206 1 29 . 1 1 5 5 TRP HA H 1 4.73 . . . . . . . 5 W HA . 16206 1 30 . 1 1 5 5 TRP HB2 H 1 3.25 . . . . . . . 5 W HB1 . 16206 1 31 . 1 1 5 5 TRP HB3 H 1 3.25 . . . . . . . 5 W HB2 . 16206 1 32 . 1 1 5 5 TRP HD1 H 1 7.20 . . . . . . . 5 W HD1 . 16206 1 33 . 1 1 5 5 TRP HE1 H 1 10.15 . . . . . . . 5 W HE1 . 16206 1 34 . 1 1 5 5 TRP HE3 H 1 7.57 . . . . . . . 5 W HE3 . 16206 1 35 . 1 1 5 5 TRP HZ2 H 1 7.40 . . . . . . . 5 W HZ2 . 16206 1 36 . 1 1 5 5 TRP C C 13 176.49 . . . . . . . 5 W C . 16206 1 37 . 1 1 5 5 TRP CA C 13 57.10 . . . . . . . 5 W CA . 16206 1 38 . 1 1 5 5 TRP CB C 13 30.21 . . . . . . . 5 W CB . 16206 1 39 . 1 1 5 5 TRP N N 15 120.27 . . . . . . . 5 W N . 16206 1 40 . 1 1 5 5 TRP NE1 N 15 129.55 . . . . . . . 5 W NE1 . 16206 1 41 . 1 1 6 6 GLY H H 1 8.26 . . . . . . . 6 G HN . 16206 1 42 . 1 1 6 6 GLY HA2 H 1 3.89 . . . . . . . 6 G HA1 . 16206 1 43 . 1 1 6 6 GLY HA3 H 1 3.89 . . . . . . . 6 G HA2 . 16206 1 44 . 1 1 6 6 GLY C C 13 173.24 . . . . . . . 6 G C . 16206 1 45 . 1 1 6 6 GLY CA C 13 45.44 . . . . . . . 6 G CA . 16206 1 46 . 1 1 6 6 GLY N N 15 109.19 . . . . . . . 6 G N . 16206 1 47 . 1 1 7 7 SER H H 1 8.38 . . . . . . . 7 S HN . 16206 1 48 . 1 1 7 7 SER HA H 1 4.73 . . . . . . . 7 S HA . 16206 1 49 . 1 1 7 7 SER HB2 H 1 4.30 . . . . . . . 7 S HB1 . 16206 1 50 . 1 1 7 7 SER HB3 H 1 4.00 . . . . . . . 7 S HB2 . 16206 1 51 . 1 1 7 7 SER C C 13 173.38 . . . . . . . 7 S C . 16206 1 52 . 1 1 7 7 SER CA C 13 58.05 . . . . . . . 7 S CA . 16206 1 53 . 1 1 7 7 SER CB C 13 65.32 . . . . . . . 7 S CB . 16206 1 54 . 1 1 7 7 SER N N 15 116.24 . . . . . . . 7 S N . 16206 1 55 . 1 1 8 8 SER H H 1 8.44 . . . . . . . 8 S HN . 16206 1 56 . 1 1 8 8 SER HA H 1 4.25 . . . . . . . 8 S HA . 16206 1 57 . 1 1 8 8 SER HB2 H 1 3.39 . . . . . . . 8 S HB1 . 16206 1 58 . 1 1 8 8 SER HB3 H 1 3.80 . . . . . . . 8 S HB2 . 16206 1 59 . 1 1 8 8 SER C C 13 172.69 . . . . . . . 8 S C . 16206 1 60 . 1 1 8 8 SER CA C 13 59.07 . . . . . . . 8 S CA . 16206 1 61 . 1 1 8 8 SER CB C 13 62.73 . . . . . . . 8 S CB . 16206 1 62 . 1 1 8 8 SER N N 15 113.92 . . . . . . . 8 S N . 16206 1 63 . 1 1 9 9 TRP H H 1 8.28 . . . . . . . 9 W HN . 16206 1 64 . 1 1 9 9 TRP HA H 1 5.25 . . . . . . . 9 W HA . 16206 1 65 . 1 1 9 9 TRP HB2 H 1 2.90 . . . . . . . 9 W HB1 . 16206 1 66 . 1 1 9 9 TRP HB3 H 1 2.90 . . . . . . . 9 W HB2 . 16206 1 67 . 1 1 9 9 TRP HD1 H 1 7.16 . . . . . . . 9 W HD1 . 16206 1 68 . 1 1 9 9 TRP HE1 H 1 10.38 . . . . . . . 9 W HE1 . 16206 1 69 . 1 1 9 9 TRP HE3 H 1 7.37 . . . . . . . 9 W HE3 . 16206 1 70 . 1 1 9 9 TRP HH2 H 1 6.89 . . . . . . . 9 W HH2 . 16206 1 71 . 1 1 9 9 TRP HZ2 H 1 7.38 . . . . . . . 9 W HZ2 . 16206 1 72 . 1 1 9 9 TRP HZ3 H 1 6.63 . . . . . . . 9 W HZ3 . 16206 1 73 . 1 1 9 9 TRP C C 13 175.21 . . . . . . . 9 W C . 16206 1 74 . 1 1 9 9 TRP CA C 13 57.16 . . . . . . . 9 W CA . 16206 1 75 . 1 1 9 9 TRP CB C 13 31.98 . . . . . . . 9 W CB . 16206 1 76 . 1 1 9 9 TRP N N 15 120.94 . . . . . . . 9 W N . 16206 1 77 . 1 1 9 9 TRP NE1 N 15 129.46 . . . . . . . 9 W NE1 . 16206 1 78 . 1 1 10 10 LEU H H 1 9.71 . . . . . . . 10 L HN . 16206 1 79 . 1 1 10 10 LEU HA H 1 4.99 . . . . . . . 10 L HA . 16206 1 80 . 1 1 10 10 LEU HB2 H 1 2.08 . . . . . . . 10 L HB1 . 16206 1 81 . 1 1 10 10 LEU HB3 H 1 1.46 . . . . . . . 10 L HB2 . 16206 1 82 . 1 1 10 10 LEU HD11 H 1 1.01 . . . . . . . 10 L MD1 . 16206 1 83 . 1 1 10 10 LEU HD12 H 1 1.01 . . . . . . . 10 L MD1 . 16206 1 84 . 1 1 10 10 LEU HD13 H 1 1.01 . . . . . . . 10 L MD1 . 16206 1 85 . 1 1 10 10 LEU HD21 H 1 0.92 . . . . . . . 10 L MD2 . 16206 1 86 . 1 1 10 10 LEU HD22 H 1 0.92 . . . . . . . 10 L MD2 . 16206 1 87 . 1 1 10 10 LEU HD23 H 1 0.92 . . . . . . . 10 L MD2 . 16206 1 88 . 1 1 10 10 LEU HG H 1 1.54 . . . . . . . 10 L HG . 16206 1 89 . 1 1 10 10 LEU C C 13 173.62 . . . . . . . 10 L C . 16206 1 90 . 1 1 10 10 LEU CA C 13 54.00 . . . . . . . 10 L CA . 16206 1 91 . 1 1 10 10 LEU CB C 13 47.59 . . . . . . . 10 L CB . 16206 1 92 . 1 1 10 10 LEU CD1 C 13 26.92 . . . . . . . 10 L CD1 . 16206 1 93 . 1 1 10 10 LEU CD2 C 13 24.30 . . . . . . . 10 L CD2 . 16206 1 94 . 1 1 10 10 LEU CG C 13 27.16 . . . . . . . 10 L CG . 16206 1 95 . 1 1 10 10 LEU N N 15 121.65 . . . . . . . 10 L N . 16206 1 96 . 1 1 11 11 LEU H H 1 9.12 . . . . . . . 11 L HN . 16206 1 97 . 1 1 11 11 LEU HA H 1 5.20 . . . . . . . 11 L HA . 16206 1 98 . 1 1 11 11 LEU HB2 H 1 1.82 . . . . . . . 11 L HB1 . 16206 1 99 . 1 1 11 11 LEU HB3 H 1 1.04 . . . . . . . 11 L HB2 . 16206 1 100 . 1 1 11 11 LEU HD11 H 1 0.87 . . . . . . . 11 L MD1 . 16206 1 101 . 1 1 11 11 LEU HD12 H 1 0.87 . . . . . . . 11 L MD1 . 16206 1 102 . 1 1 11 11 LEU HD13 H 1 0.87 . . . . . . . 11 L MD1 . 16206 1 103 . 1 1 11 11 LEU HD21 H 1 0.77 . . . . . . . 11 L MD2 . 16206 1 104 . 1 1 11 11 LEU HD22 H 1 0.77 . . . . . . . 11 L MD2 . 16206 1 105 . 1 1 11 11 LEU HD23 H 1 0.77 . . . . . . . 11 L MD2 . 16206 1 106 . 1 1 11 11 LEU HG H 1 1.38 . . . . . . . 11 L HG . 16206 1 107 . 1 1 11 11 LEU C C 13 173.86 . . . . . . . 11 L C . 16206 1 108 . 1 1 11 11 LEU CA C 13 53.83 . . . . . . . 11 L CA . 16206 1 109 . 1 1 11 11 LEU CB C 13 45.18 . . . . . . . 11 L CB . 16206 1 110 . 1 1 11 11 LEU CD1 C 13 24.06 . . . . . . . 11 L CD1 . 16206 1 111 . 1 1 11 11 LEU CD2 C 13 26.59 . . . . . . . 11 L CD2 . 16206 1 112 . 1 1 11 11 LEU CG C 13 27.94 . . . . . . . 11 L CG . 16206 1 113 . 1 1 11 11 LEU N N 15 127.47 . . . . . . . 11 L N . 16206 1 114 . 1 1 12 12 LEU H H 1 9.33 . . . . . . . 12 L HN . 16206 1 115 . 1 1 12 12 LEU HA H 1 5.39 . . . . . . . 12 L HA . 16206 1 116 . 1 1 12 12 LEU HB2 H 1 1.35 . . . . . . . 12 L HB1 . 16206 1 117 . 1 1 12 12 LEU HB3 H 1 1.87 . . . . . . . 12 L HB2 . 16206 1 118 . 1 1 12 12 LEU HD11 H 1 0.89 . . . . . . . 12 L MD1 . 16206 1 119 . 1 1 12 12 LEU HD12 H 1 0.89 . . . . . . . 12 L MD1 . 16206 1 120 . 1 1 12 12 LEU HD13 H 1 0.89 . . . . . . . 12 L MD1 . 16206 1 121 . 1 1 12 12 LEU HD21 H 1 0.89 . . . . . . . 12 L MD2 . 16206 1 122 . 1 1 12 12 LEU HD22 H 1 0.89 . . . . . . . 12 L MD2 . 16206 1 123 . 1 1 12 12 LEU HD23 H 1 0.89 . . . . . . . 12 L MD2 . 16206 1 124 . 1 1 12 12 LEU HG H 1 1.70 . . . . . . . 12 L HG . 16206 1 125 . 1 1 12 12 LEU C C 13 175.17 . . . . . . . 12 L C . 16206 1 126 . 1 1 12 12 LEU CA C 13 53.23 . . . . . . . 12 L CA . 16206 1 127 . 1 1 12 12 LEU CB C 13 43.77 . . . . . . . 12 L CB . 16206 1 128 . 1 1 12 12 LEU CD1 C 13 26.29 . . . . . . . 12 L CD1 . 16206 1 129 . 1 1 12 12 LEU CD2 C 13 24.53 . . . . . . . 12 L CD2 . 16206 1 130 . 1 1 12 12 LEU CG C 13 27.78 . . . . . . . 12 L CG . 16206 1 131 . 1 1 12 12 LEU N N 15 126.72 . . . . . . . 12 L N . 16206 1 132 . 1 1 13 13 LYS H H 1 9.19 . . . . . . . 13 K HN . 16206 1 133 . 1 1 13 13 LYS HA H 1 5.29 . . . . . . . 13 K HA . 16206 1 134 . 1 1 13 13 LYS HB2 H 1 1.94 . . . . . . . 13 K HB1 . 16206 1 135 . 1 1 13 13 LYS HB3 H 1 1.76 . . . . . . . 13 K HB2 . 16206 1 136 . 1 1 13 13 LYS HD2 H 1 1.59 . . . . . . . 13 K HD1 . 16206 1 137 . 1 1 13 13 LYS HD3 H 1 1.59 . . . . . . . 13 K HD2 . 16206 1 138 . 1 1 13 13 LYS HE2 H 1 2.75 . . . . . . . 13 K HE1 . 16206 1 139 . 1 1 13 13 LYS HE3 H 1 2.75 . . . . . . . 13 K HE2 . 16206 1 140 . 1 1 13 13 LYS HG2 H 1 1.37 . . . . . . . 13 K HG1 . 16206 1 141 . 1 1 13 13 LYS HG3 H 1 1.37 . . . . . . . 13 K HG2 . 16206 1 142 . 1 1 13 13 LYS C C 13 175.22 . . . . . . . 13 K C . 16206 1 143 . 1 1 13 13 LYS CA C 13 54.29 . . . . . . . 13 K CA . 16206 1 144 . 1 1 13 13 LYS CB C 13 36.61 . . . . . . . 13 K CB . 16206 1 145 . 1 1 13 13 LYS CD C 13 29.56 . . . . . . . 13 K CD . 16206 1 146 . 1 1 13 13 LYS CE C 13 41.96 . . . . . . . 13 K CE . 16206 1 147 . 1 1 13 13 LYS CG C 13 25.18 . . . . . . . 13 K CG . 16206 1 148 . 1 1 13 13 LYS N N 15 118.84 . . . . . . . 13 K N . 16206 1 149 . 1 1 14 14 ASN H H 1 8.70 . . . . . . . 14 N HN . 16206 1 150 . 1 1 14 14 ASN HA H 1 4.33 . . . . . . . 14 N HA . 16206 1 151 . 1 1 14 14 ASN HB2 H 1 3.80 . . . . . . . 14 N HB1 . 16206 1 152 . 1 1 14 14 ASN HB3 H 1 2.35 . . . . . . . 14 N HB2 . 16206 1 153 . 1 1 14 14 ASN HD21 H 1 8.25 . . . . . . . 14 N HD21 . 16206 1 154 . 1 1 14 14 ASN HD22 H 1 6.63 . . . . . . . 14 N HD22 . 16206 1 155 . 1 1 14 14 ASN C C 13 175.06 . . . . . . . 14 N C . 16206 1 156 . 1 1 14 14 ASN CA C 13 53.98 . . . . . . . 14 N CA . 16206 1 157 . 1 1 14 14 ASN CB C 13 39.22 . . . . . . . 14 N CB . 16206 1 158 . 1 1 14 14 ASN N N 15 115.61 . . . . . . . 14 N N . 16206 1 159 . 1 1 14 14 ASN ND2 N 15 113.61 . . . . . . . 14 N ND2 . 16206 1 160 . 1 1 15 15 LEU H H 1 8.00 . . . . . . . 15 L HN . 16206 1 161 . 1 1 15 15 LEU HA H 1 4.05 . . . . . . . 15 L HA . 16206 1 162 . 1 1 15 15 LEU HB2 H 1 1.23 . . . . . . . 15 L HB1 . 16206 1 163 . 1 1 15 15 LEU HB3 H 1 1.23 . . . . . . . 15 L HB2 . 16206 1 164 . 1 1 15 15 LEU HD11 H 1 0.55 . . . . . . . 15 L MD1 . 16206 1 165 . 1 1 15 15 LEU HD12 H 1 0.55 . . . . . . . 15 L MD1 . 16206 1 166 . 1 1 15 15 LEU HD13 H 1 0.55 . . . . . . . 15 L MD1 . 16206 1 167 . 1 1 15 15 LEU HD21 H 1 0.62 . . . . . . . 15 L MD2 . 16206 1 168 . 1 1 15 15 LEU HD22 H 1 0.62 . . . . . . . 15 L MD2 . 16206 1 169 . 1 1 15 15 LEU HD23 H 1 0.62 . . . . . . . 15 L MD2 . 16206 1 170 . 1 1 15 15 LEU HG H 1 1.44 . . . . . . . 15 L HG . 16206 1 171 . 1 1 15 15 LEU C C 13 175.88 . . . . . . . 15 L C . 16206 1 172 . 1 1 15 15 LEU CA C 13 54.29 . . . . . . . 15 L CA . 16206 1 173 . 1 1 15 15 LEU CB C 13 41.58 . . . . . . . 15 L CB . 16206 1 174 . 1 1 15 15 LEU CD1 C 13 27.19 . . . . . . . 15 L CD1 . 16206 1 175 . 1 1 15 15 LEU CD2 C 13 23.00 . . . . . . . 15 L CD2 . 16206 1 176 . 1 1 15 15 LEU CG C 13 27.20 . . . . . . . 15 L CG . 16206 1 177 . 1 1 15 15 LEU N N 15 114.58 . . . . . . . 15 L N . 16206 1 178 . 1 1 16 16 THR H H 1 6.44 . . . . . . . 16 T HN . 16206 1 179 . 1 1 16 16 THR HA H 1 4.68 . . . . . . . 16 T HA . 16206 1 180 . 1 1 16 16 THR HB H 1 4.59 . . . . . . . 16 T HB . 16206 1 181 . 1 1 16 16 THR HG1 H 1 5.57 . . . . . . . 16 T HG1 . 16206 1 182 . 1 1 16 16 THR HG21 H 1 1.10 . . . . . . . 16 T HG2 . 16206 1 183 . 1 1 16 16 THR HG22 H 1 1.10 . . . . . . . 16 T HG2 . 16206 1 184 . 1 1 16 16 THR HG23 H 1 1.10 . . . . . . . 16 T HG2 . 16206 1 185 . 1 1 16 16 THR C C 13 174.66 . . . . . . . 16 T C . 16206 1 186 . 1 1 16 16 THR CA C 13 59.37 . . . . . . . 16 T CA . 16206 1 187 . 1 1 16 16 THR CB C 13 71.79 . . . . . . . 16 T CB . 16206 1 188 . 1 1 16 16 THR CG2 C 13 21.62 . . . . . . . 16 T CG . 16206 1 189 . 1 1 16 16 THR N N 15 107.68 . . . . . . . 16 T N . 16206 1 190 . 1 1 17 17 ALA H H 1 8.57 . . . . . . . 17 A HN . 16206 1 191 . 1 1 17 17 ALA HA H 1 4.17 . . . . . . . 17 A HA . 16206 1 192 . 1 1 17 17 ALA HB1 H 1 1.38 . . . . . . . 17 A MB . 16206 1 193 . 1 1 17 17 ALA HB2 H 1 1.38 . . . . . . . 17 A MB . 16206 1 194 . 1 1 17 17 ALA HB3 H 1 1.38 . . . . . . . 17 A MB . 16206 1 195 . 1 1 17 17 ALA C C 13 177.51 . . . . . . . 17 A C . 16206 1 196 . 1 1 17 17 ALA CA C 13 53.23 . . . . . . . 17 A CA . 16206 1 197 . 1 1 17 17 ALA CB C 13 18.12 . . . . . . . 17 A CB . 16206 1 198 . 1 1 17 17 ALA N N 15 119.69 . . . . . . . 17 A N . 16206 1 199 . 1 1 18 18 GLN H H 1 7.55 . . . . . . . 18 Q HN . 16206 1 200 . 1 1 18 18 GLN HA H 1 4.12 . . . . . . . 18 Q HA . 16206 1 201 . 1 1 18 18 GLN HB2 H 1 2.10 . . . . . . . 18 Q HB1 . 16206 1 202 . 1 1 18 18 GLN HB3 H 1 1.83 . . . . . . . 18 Q HB2 . 16206 1 203 . 1 1 18 18 GLN HE21 H 1 7.47 . . . . . . . 18 Q HE1 . 16206 1 204 . 1 1 18 18 GLN HE22 H 1 6.79 . . . . . . . 18 Q HE2 . 16206 1 205 . 1 1 18 18 GLN HG2 H 1 2.35 . . . . . . . 18 Q HG1 . 16206 1 206 . 1 1 18 18 GLN HG3 H 1 2.30 . . . . . . . 18 Q HG2 . 16206 1 207 . 1 1 18 18 GLN C C 13 175.84 . . . . . . . 18 Q C . 16206 1 208 . 1 1 18 18 GLN CA C 13 57.12 . . . . . . . 18 Q CA . 16206 1 209 . 1 1 18 18 GLN CB C 13 28.62 . . . . . . . 18 Q CB . 16206 1 210 . 1 1 18 18 GLN CG C 13 35.15 . . . . . . . 18 Q CG . 16206 1 211 . 1 1 18 18 GLN N N 15 114.78 . . . . . . . 18 Q N . 16206 1 212 . 1 1 18 18 GLN NE2 N 15 111.91 . . . . . . . 18 Q NE2 . 16206 1 213 . 1 1 19 19 ILE H H 1 7.29 . . . . . . . 19 I HN . 16206 1 214 . 1 1 19 19 ILE HA H 1 3.89 . . . . . . . 19 I HA . 16206 1 215 . 1 1 19 19 ILE HB H 1 2.04 . . . . . . . 19 I HB . 16206 1 216 . 1 1 19 19 ILE HD11 H 1 0.80 . . . . . . . 19 I HD1 . 16206 1 217 . 1 1 19 19 ILE HD12 H 1 0.80 . . . . . . . 19 I HD1 . 16206 1 218 . 1 1 19 19 ILE HD13 H 1 0.80 . . . . . . . 19 I HD1 . 16206 1 219 . 1 1 19 19 ILE HG12 H 1 1.45 . . . . . . . 19 I HG12 . 16206 1 220 . 1 1 19 19 ILE HG13 H 1 1.28 . . . . . . . 19 I HG13 . 16206 1 221 . 1 1 19 19 ILE HG21 H 1 0.80 . . . . . . . 19 I HG2 . 16206 1 222 . 1 1 19 19 ILE HG22 H 1 0.80 . . . . . . . 19 I HG2 . 16206 1 223 . 1 1 19 19 ILE HG23 H 1 0.80 . . . . . . . 19 I HG2 . 16206 1 224 . 1 1 19 19 ILE C C 13 173.38 . . . . . . . 19 I C . 16206 1 225 . 1 1 19 19 ILE CA C 13 60.14 . . . . . . . 19 I CA . 16206 1 226 . 1 1 19 19 ILE CB C 13 37.56 . . . . . . . 19 I CB . 16206 1 227 . 1 1 19 19 ILE CD1 C 13 13.15 . . . . . . . 19 I CD1 . 16206 1 228 . 1 1 19 19 ILE CG1 C 13 27.99 . . . . . . . 19 I CG1 . 16206 1 229 . 1 1 19 19 ILE CG2 C 13 18.12 . . . . . . . 19 I CG2 . 16206 1 230 . 1 1 19 19 ILE N N 15 120.79 . . . . . . . 19 I N . 16206 1 231 . 1 1 20 20 ASP H H 1 8.09 . . . . . . . 20 D HN . 16206 1 232 . 1 1 20 20 ASP HA H 1 4.67 . . . . . . . 20 D HA . 16206 1 233 . 1 1 20 20 ASP HB2 H 1 2.76 . . . . . . . 20 D HB1 . 16206 1 234 . 1 1 20 20 ASP HB3 H 1 2.61 . . . . . . . 20 D HB2 . 16206 1 235 . 1 1 20 20 ASP C C 13 175.61 . . . . . . . 20 D C . 16206 1 236 . 1 1 20 20 ASP CA C 13 52.88 . . . . . . . 20 D CA . 16206 1 237 . 1 1 20 20 ASP CB C 13 43.10 . . . . . . . 20 D CB . 16206 1 238 . 1 1 20 20 ASP N N 15 125.33 . . . . . . . 20 D N . 16206 1 239 . 1 1 21 21 GLY H H 1 8.98 . . . . . . . 21 G HN . 16206 1 240 . 1 1 21 21 GLY HA2 H 1 4.23 . . . . . . . 21 G HA1 . 16206 1 241 . 1 1 21 21 GLY HA3 H 1 3.66 . . . . . . . 21 G HA2 . 16206 1 242 . 1 1 21 21 GLY C C 13 173.75 . . . . . . . 21 G C . 16206 1 243 . 1 1 21 21 GLY CA C 13 48.51 . . . . . . . 21 G CA . 16206 1 244 . 1 1 21 21 GLY N N 15 111.83 . . . . . . . 21 G N . 16206 1 245 . 1 1 22 22 PRO HA H 1 4.01 . . . . . . . 22 P HA . 16206 1 246 . 1 1 22 22 PRO HB2 H 1 1.84 . . . . . . . 22 P HB1 . 16206 1 247 . 1 1 22 22 PRO HB3 H 1 2.28 . . . . . . . 22 P HB2 . 16206 1 248 . 1 1 22 22 PRO HD2 H 1 3.59 . . . . . . . 22 P HD1 . 16206 1 249 . 1 1 22 22 PRO HD3 H 1 3.87 . . . . . . . 22 P HD2 . 16206 1 250 . 1 1 22 22 PRO HG2 H 1 2.12 . . . . . . . 22 P HG1 . 16206 1 251 . 1 1 22 22 PRO HG3 H 1 1.83 . . . . . . . 22 P HG2 . 16206 1 252 . 1 1 22 22 PRO CA C 13 65.80 . . . . . . . 22 P CA . 16206 1 253 . 1 1 22 22 PRO CB C 13 31.98 . . . . . . . 22 P CB . 16206 1 254 . 1 1 22 22 PRO CD C 13 50.78 . . . . . . . 22 P CD . 16206 1 255 . 1 1 22 22 PRO CG C 13 28.19 . . . . . . . 22 P CG . 16206 1 256 . 1 1 23 23 THR H H 1 7.79 . . . . . . . 23 T HN . 16206 1 257 . 1 1 23 23 THR HA H 1 3.75 . . . . . . . 23 T HA . 16206 1 258 . 1 1 23 23 THR HB H 1 4.31 . . . . . . . 23 T HB . 16206 1 259 . 1 1 23 23 THR HG21 H 1 1.15 . . . . . . . 23 T HG2 . 16206 1 260 . 1 1 23 23 THR HG22 H 1 1.15 . . . . . . . 23 T HG2 . 16206 1 261 . 1 1 23 23 THR HG23 H 1 1.15 . . . . . . . 23 T HG2 . 16206 1 262 . 1 1 23 23 THR C C 13 176.06 . . . . . . . 23 T C . 16206 1 263 . 1 1 23 23 THR CA C 13 67.17 . . . . . . . 23 T CA . 16206 1 264 . 1 1 23 23 THR CB C 13 67.89 . . . . . . . 23 T CB . 16206 1 265 . 1 1 23 23 THR CG2 C 13 20.81 . . . . . . . 23 T CG . 16206 1 266 . 1 1 23 23 THR N N 15 115.69 . . . . . . . 23 T N . 16206 1 267 . 1 1 24 24 LEU H H 1 7.94 . . . . . . . 24 L HN . 16206 1 268 . 1 1 24 24 LEU HA H 1 3.96 . . . . . . . 24 L HA . 16206 1 269 . 1 1 24 24 LEU HB2 H 1 2.00 . . . . . . . 24 L HB1 . 16206 1 270 . 1 1 24 24 LEU HB3 H 1 1.48 . . . . . . . 24 L HB2 . 16206 1 271 . 1 1 24 24 LEU HD11 H 1 0.82 . . . . . . . 24 L MD1 . 16206 1 272 . 1 1 24 24 LEU HD12 H 1 0.82 . . . . . . . 24 L MD1 . 16206 1 273 . 1 1 24 24 LEU HD13 H 1 0.82 . . . . . . . 24 L MD1 . 16206 1 274 . 1 1 24 24 LEU HD21 H 1 0.82 . . . . . . . 24 L MD2 . 16206 1 275 . 1 1 24 24 LEU HD22 H 1 0.82 . . . . . . . 24 L MD2 . 16206 1 276 . 1 1 24 24 LEU HD23 H 1 0.82 . . . . . . . 24 L MD2 . 16206 1 277 . 1 1 24 24 LEU HG H 1 1.64 . . . . . . . 24 L HG . 16206 1 278 . 1 1 24 24 LEU CA C 13 57.69 . . . . . . . 24 L CA . 16206 1 279 . 1 1 24 24 LEU CB C 13 41.95 . . . . . . . 24 L CB . 16206 1 280 . 1 1 24 24 LEU CD1 C 13 26.43 . . . . . . . 24 L CD1 . 16206 1 281 . 1 1 24 24 LEU CD2 C 13 23.61 . . . . . . . 24 L CD2 . 16206 1 282 . 1 1 24 24 LEU CG C 13 26.93 . . . . . . . 24 L CG . 16206 1 283 . 1 1 24 24 LEU N N 15 122.81 . . . . . . . 24 L N . 16206 1 284 . 1 1 25 25 ARG H H 1 8.55 . . . . . . . 25 R HN . 16206 1 285 . 1 1 25 25 ARG HA H 1 2.74 . . . . . . . 25 R HA . 16206 1 286 . 1 1 25 25 ARG HB2 H 1 1.49 . . . . . . . 25 R HB1 . 16206 1 287 . 1 1 25 25 ARG HB3 H 1 0.75 . . . . . . . 25 R HB2 . 16206 1 288 . 1 1 25 25 ARG HD2 H 1 2.82 . . . . . . . 25 R HD1 . 16206 1 289 . 1 1 25 25 ARG HD3 H 1 2.77 . . . . . . . 25 R HD2 . 16206 1 290 . 1 1 25 25 ARG HG2 H 1 0.95 . . . . . . . 25 R HG1 . 16206 1 291 . 1 1 25 25 ARG HG3 H 1 0.36 . . . . . . . 25 R HG2 . 16206 1 292 . 1 1 25 25 ARG C C 13 177.80 . . . . . . . 25 R C . 16206 1 293 . 1 1 25 25 ARG CA C 13 60.28 . . . . . . . 25 R CA . 16206 1 294 . 1 1 25 25 ARG CB C 13 29.15 . . . . . . . 25 R CB . 16206 1 295 . 1 1 25 25 ARG CD C 13 43.06 . . . . . . . 25 R CD . 16206 1 296 . 1 1 25 25 ARG CG C 13 27.87 . . . . . . . 25 R CG . 16206 1 297 . 1 1 25 25 ARG N N 15 120.80 . . . . . . . 25 R N . 16206 1 298 . 1 1 26 26 THR H H 1 7.93 . . . . . . . 26 T HN . 16206 1 299 . 1 1 26 26 THR HA H 1 3.72 . . . . . . . 26 T HA . 16206 1 300 . 1 1 26 26 THR HB H 1 4.23 . . . . . . . 26 T HB . 16206 1 301 . 1 1 26 26 THR HG21 H 1 1.11 . . . . . . . 26 T HG2 . 16206 1 302 . 1 1 26 26 THR HG22 H 1 1.11 . . . . . . . 26 T HG2 . 16206 1 303 . 1 1 26 26 THR HG23 H 1 1.11 . . . . . . . 26 T HG2 . 16206 1 304 . 1 1 26 26 THR CA C 13 67.04 . . . . . . . 26 T CA . 16206 1 305 . 1 1 26 26 THR CB C 13 68.47 . . . . . . . 26 T CB . 16206 1 306 . 1 1 26 26 THR CG2 C 13 22.18 . . . . . . . 26 T CG . 16206 1 307 . 1 1 27 27 LEU H H 1 8.50 . . . . . . . 27 L HN . 16206 1 308 . 1 1 27 27 LEU HA H 1 4.91 . . . . . . . 27 L HA . 16206 1 309 . 1 1 27 27 LEU HB2 H 1 1.87 . . . . . . . 27 L HB1 . 16206 1 310 . 1 1 27 27 LEU HB3 H 1 1.71 . . . . . . . 27 L HB2 . 16206 1 311 . 1 1 27 27 LEU HD11 H 1 0.83 . . . . . . . 27 L MD1 . 16206 1 312 . 1 1 27 27 LEU HD12 H 1 0.83 . . . . . . . 27 L MD1 . 16206 1 313 . 1 1 27 27 LEU HD13 H 1 0.83 . . . . . . . 27 L MD1 . 16206 1 314 . 1 1 27 27 LEU HD21 H 1 0.79 . . . . . . . 27 L MD2 . 16206 1 315 . 1 1 27 27 LEU HD22 H 1 0.79 . . . . . . . 27 L MD2 . 16206 1 316 . 1 1 27 27 LEU HD23 H 1 0.79 . . . . . . . 27 L MD2 . 16206 1 317 . 1 1 27 27 LEU HG H 1 1.64 . . . . . . . 27 L HG . 16206 1 318 . 1 1 27 27 LEU C C 13 178.96 . . . . . . . 27 L C . 16206 1 319 . 1 1 27 27 LEU CA C 13 58.34 . . . . . . . 27 L CA . 16206 1 320 . 1 1 27 27 LEU CB C 13 41.84 . . . . . . . 27 L CB . 16206 1 321 . 1 1 27 27 LEU CD1 C 13 24.60 . . . . . . . 27 L CD1 . 16206 1 322 . 1 1 27 27 LEU CD2 C 13 25.58 . . . . . . . 27 L CD2 . 16206 1 323 . 1 1 27 27 LEU CG C 13 27.09 . . . . . . . 27 L CG . 16206 1 324 . 1 1 28 28 CYS H H 1 8.07 . . . . . . . 28 C HN . 16206 1 325 . 1 1 28 28 CYS HA H 1 4.09 . . . . . . . 28 C HA . 16206 1 326 . 1 1 28 28 CYS HB2 H 1 3.07 . . . . . . . 28 C HB1 . 16206 1 327 . 1 1 28 28 CYS HB3 H 1 2.92 . . . . . . . 28 C HB2 . 16206 1 328 . 1 1 28 28 CYS C C 13 179.10 . . . . . . . 28 C C . 16206 1 329 . 1 1 28 28 CYS CA C 13 64.57 . . . . . . . 28 C CA . 16206 1 330 . 1 1 28 28 CYS CB C 13 27.27 . . . . . . . 28 C CB . 16206 1 331 . 1 1 28 28 CYS N N 15 116.40 . . . . . . . 28 C N . 16206 1 332 . 1 1 29 29 MET H H 1 8.49 . . . . . . . 29 M HN . 16206 1 333 . 1 1 29 29 MET HA H 1 4.69 . . . . . . . 29 M HA . 16206 1 334 . 1 1 29 29 MET HB2 H 1 2.12 . . . . . . . 29 M HB1 . 16206 1 335 . 1 1 29 29 MET HB3 H 1 2.12 . . . . . . . 29 M HB2 . 16206 1 336 . 1 1 29 29 MET HE1 H 1 0.78 . . . . . . . 29 M ME . 16206 1 337 . 1 1 29 29 MET HE2 H 1 0.78 . . . . . . . 29 M ME . 16206 1 338 . 1 1 29 29 MET HE3 H 1 0.78 . . . . . . . 29 M ME . 16206 1 339 . 1 1 29 29 MET HG2 H 1 2.21 . . . . . . . 29 M HG1 . 16206 1 340 . 1 1 29 29 MET HG3 H 1 2.13 . . . . . . . 29 M HG2 . 16206 1 341 . 1 1 29 29 MET C C 13 176.57 . . . . . . . 29 M C . 16206 1 342 . 1 1 29 29 MET CA C 13 57.19 . . . . . . . 29 M CA . 16206 1 343 . 1 1 29 29 MET CB C 13 33.06 . . . . . . . 29 M CB . 16206 1 344 . 1 1 29 29 MET CG C 13 32.05 . . . . . . . 29 M CG . 16206 1 345 . 1 1 29 29 MET N N 15 120.38 . . . . . . . 29 M N . 16206 1 346 . 1 1 30 30 GLN H H 1 7.43 . . . . . . . 30 Q HN . 16206 1 347 . 1 1 30 30 GLN HA H 1 3.81 . . . . . . . 30 Q HA . 16206 1 348 . 1 1 30 30 GLN HB2 H 1 1.55 . . . . . . . 30 Q HB1 . 16206 1 349 . 1 1 30 30 GLN HB3 H 1 1.55 . . . . . . . 30 Q HB2 . 16206 1 350 . 1 1 30 30 GLN HG2 H 1 2.12 . . . . . . . 30 Q HG1 . 16206 1 351 . 1 1 30 30 GLN HG3 H 1 2.12 . . . . . . . 30 Q HG2 . 16206 1 352 . 1 1 30 30 GLN CA C 13 57.17 . . . . . . . 30 Q CA . 16206 1 353 . 1 1 30 30 GLN CB C 13 27.57 . . . . . . . 30 Q CB . 16206 1 354 . 1 1 30 30 GLN CG C 13 32.56 . . . . . . . 30 Q CG . 16206 1 355 . 1 1 30 30 GLN N N 15 117.37 . . . . . . . 30 Q N . 16206 1 356 . 1 1 31 31 HIS H H 1 6.90 . . . . . . . 31 H HN . 16206 1 357 . 1 1 31 31 HIS HA H 1 4.44 . . . . . . . 31 H HA . 16206 1 358 . 1 1 31 31 HIS HB2 H 1 3.10 . . . . . . . 31 H HB1 . 16206 1 359 . 1 1 31 31 HIS HB3 H 1 2.52 . . . . . . . 31 H HB2 . 16206 1 360 . 1 1 31 31 HIS HD2 H 1 6.48 . . . . . . . 31 H HD2 . 16206 1 361 . 1 1 31 31 HIS C C 13 173.76 . . . . . . . 31 H C . 16206 1 362 . 1 1 31 31 HIS CA C 13 56.45 . . . . . . . 31 H CA . 16206 1 363 . 1 1 31 31 HIS CB C 13 32.00 . . . . . . . 31 H CB . 16206 1 364 . 1 1 31 31 HIS N N 15 114.21 . . . . . . . 31 H N . 16206 1 365 . 1 1 32 32 GLY H H 1 7.24 . . . . . . . 32 G HN . 16206 1 366 . 1 1 32 32 GLY HA2 H 1 3.94 . . . . . . . 32 G HA1 . 16206 1 367 . 1 1 32 32 GLY HA3 H 1 3.94 . . . . . . . 32 G HA2 . 16206 1 368 . 1 1 32 32 GLY C C 13 169.31 . . . . . . . 32 G C . 16206 1 369 . 1 1 32 32 GLY CA C 13 44.97 . . . . . . . 32 G CA . 16206 1 370 . 1 1 32 32 GLY N N 15 108.29 . . . . . . . 32 G N . 16206 1 371 . 1 1 33 33 PRO HA H 1 4.43 . . . . . . . 33 P HA . 16206 1 372 . 1 1 33 33 PRO HB2 H 1 2.09 . . . . . . . 33 P HB1 . 16206 1 373 . 1 1 33 33 PRO HB3 H 1 1.94 . . . . . . . 33 P HB2 . 16206 1 374 . 1 1 33 33 PRO HD2 H 1 3.68 . . . . . . . 33 P HD1 . 16206 1 375 . 1 1 33 33 PRO HD3 H 1 3.55 . . . . . . . 33 P HD2 . 16206 1 376 . 1 1 33 33 PRO HG2 H 1 2.19 . . . . . . . 33 P HG1 . 16206 1 377 . 1 1 33 33 PRO HG3 H 1 1.97 . . . . . . . 33 P HG2 . 16206 1 378 . 1 1 33 33 PRO CA C 13 62.34 . . . . . . . 33 P CA . 16206 1 379 . 1 1 33 33 PRO CB C 13 30.81 . . . . . . . 33 P CB . 16206 1 380 . 1 1 33 33 PRO CD C 13 49.38 . . . . . . . 33 P CD . 16206 1 381 . 1 1 33 33 PRO CG C 13 27.80 . . . . . . . 33 P CG . 16206 1 382 . 1 1 34 34 LEU H H 1 7.92 . . . . . . . 34 L HN . 16206 1 383 . 1 1 34 34 LEU HA H 1 4.03 . . . . . . . 34 L HA . 16206 1 384 . 1 1 34 34 LEU C C 13 177.63 . . . . . . . 34 L C . 16206 1 385 . 1 1 34 34 LEU CA C 13 53.98 . . . . . . . 34 L CA . 16206 1 386 . 1 1 35 35 VAL H H 1 8.99 . . . . . . . 35 V HN . 16206 1 387 . 1 1 35 35 VAL HA H 1 3.69 . . . . . . . 35 V HA . 16206 1 388 . 1 1 35 35 VAL HB H 1 1.40 . . . . . . . 35 V HB . 16206 1 389 . 1 1 35 35 VAL HG11 H 1 0.75 . . . . . . . 35 V MG1 . 16206 1 390 . 1 1 35 35 VAL HG12 H 1 0.75 . . . . . . . 35 V MG1 . 16206 1 391 . 1 1 35 35 VAL HG13 H 1 0.75 . . . . . . . 35 V MG1 . 16206 1 392 . 1 1 35 35 VAL HG21 H 1 0.64 . . . . . . . 35 V MG2 . 16206 1 393 . 1 1 35 35 VAL HG22 H 1 0.64 . . . . . . . 35 V MG2 . 16206 1 394 . 1 1 35 35 VAL HG23 H 1 0.64 . . . . . . . 35 V MG2 . 16206 1 395 . 1 1 35 35 VAL C C 13 176.55 . . . . . . . 35 V C . 16206 1 396 . 1 1 35 35 VAL CA C 13 64.13 . . . . . . . 35 V CA . 16206 1 397 . 1 1 35 35 VAL CB C 13 32.42 . . . . . . . 35 V CB . 16206 1 398 . 1 1 35 35 VAL CG1 C 13 21.05 . . . . . . . 35 V CG1 . 16206 1 399 . 1 1 35 35 VAL CG2 C 13 21.58 . . . . . . . 35 V CG2 . 16206 1 400 . 1 1 35 35 VAL N N 15 126.03 . . . . . . . 35 V N . 16206 1 401 . 1 1 36 36 SER H H 1 7.22 . . . . . . . 36 S HN . 16206 1 402 . 1 1 36 36 SER HA H 1 4.39 . . . . . . . 36 S HA . 16206 1 403 . 1 1 36 36 SER HB2 H 1 3.45 . . . . . . . 36 S HB1 . 16206 1 404 . 1 1 36 36 SER HB3 H 1 3.75 . . . . . . . 36 S HB2 . 16206 1 405 . 1 1 36 36 SER C C 13 171.58 . . . . . . . 36 S C . 16206 1 406 . 1 1 36 36 SER CA C 13 58.19 . . . . . . . 36 S CA . 16206 1 407 . 1 1 36 36 SER CB C 13 64.96 . . . . . . . 36 S CB . 16206 1 408 . 1 1 36 36 SER N N 15 110.96 . . . . . . . 36 S N . 16206 1 409 . 1 1 37 37 PHE H H 1 8.18 . . . . . . . 37 F HN . 16206 1 410 . 1 1 37 37 PHE HA H 1 4.93 . . . . . . . 37 F HA . 16206 1 411 . 1 1 37 37 PHE HB2 H 1 2.76 . . . . . . . 37 F HB1 . 16206 1 412 . 1 1 37 37 PHE HB3 H 1 2.76 . . . . . . . 37 F HB2 . 16206 1 413 . 1 1 37 37 PHE HD1 H 1 7.18 . . . . . . . 37 F HD# . 16206 1 414 . 1 1 37 37 PHE HD2 H 1 7.18 . . . . . . . 37 F HD# . 16206 1 415 . 1 1 37 37 PHE HE1 H 1 7.06 . . . . . . . 37 F HE# . 16206 1 416 . 1 1 37 37 PHE HE2 H 1 7.06 . . . . . . . 37 F HE# . 16206 1 417 . 1 1 37 37 PHE HZ H 1 7.06 . . . . . . . 37 F HZ . 16206 1 418 . 1 1 37 37 PHE C C 13 172.80 . . . . . . . 37 F C . 16206 1 419 . 1 1 37 37 PHE CA C 13 58.02 . . . . . . . 37 F CA . 16206 1 420 . 1 1 37 37 PHE CB C 13 42.22 . . . . . . . 37 F CB . 16206 1 421 . 1 1 37 37 PHE N N 15 123.22 . . . . . . . 37 F N . 16206 1 422 . 1 1 38 38 HIS H H 1 8.72 . . . . . . . 38 H HN . 16206 1 423 . 1 1 38 38 HIS HA H 1 4.67 . . . . . . . 38 H HA . 16206 1 424 . 1 1 38 38 HIS HB2 H 1 2.75 . . . . . . . 38 H HB1 . 16206 1 425 . 1 1 38 38 HIS HB3 H 1 3.06 . . . . . . . 38 H HB2 . 16206 1 426 . 1 1 38 38 HIS C C 13 171.30 . . . . . . . 38 H C . 16206 1 427 . 1 1 38 38 HIS CA C 13 52.17 . . . . . . . 38 H CA . 16206 1 428 . 1 1 38 38 HIS CB C 13 30.75 . . . . . . . 38 H CB . 16206 1 429 . 1 1 38 38 HIS N N 15 125.48 . . . . . . . 38 H N . 16206 1 430 . 1 1 38 38 HIS ND1 N 15 115.8 . . . . . . . 38 H ND1 . 16206 1 431 . 1 1 39 39 PRO HA H 1 4.10 . . . . . . . 39 P HA . 16206 1 432 . 1 1 39 39 PRO HB2 H 1 1.95 . . . . . . . 39 P HB1 . 16206 1 433 . 1 1 39 39 PRO HB3 H 1 1.54 . . . . . . . 39 P HB2 . 16206 1 434 . 1 1 39 39 PRO HD2 H 1 3.53 . . . . . . . 39 P HD1 . 16206 1 435 . 1 1 39 39 PRO HD3 H 1 2.66 . . . . . . . 39 P HD2 . 16206 1 436 . 1 1 39 39 PRO HG2 H 1 2.16 . . . . . . . 39 P HG1 . 16206 1 437 . 1 1 39 39 PRO HG3 H 1 1.89 . . . . . . . 39 P HG2 . 16206 1 438 . 1 1 39 39 PRO CA C 13 62.12 . . . . . . . 39 P CA . 16206 1 439 . 1 1 39 39 PRO CB C 13 31.16 . . . . . . . 39 P CB . 16206 1 440 . 1 1 39 39 PRO CD C 13 49.48 . . . . . . . 39 P CD . 16206 1 441 . 1 1 39 39 PRO CG C 13 26.25 . . . . . . . 39 P CG . 16206 1 442 . 1 1 40 40 TYR H H 1 8.52 . . . . . . . 40 Y HN . 16206 1 443 . 1 1 40 40 TYR HA H 1 4.87 . . . . . . . 40 Y HA . 16206 1 444 . 1 1 40 40 TYR HB2 H 1 2.94 . . . . . . . 40 Y HB1 . 16206 1 445 . 1 1 40 40 TYR HB3 H 1 2.65 . . . . . . . 40 Y HB2 . 16206 1 446 . 1 1 40 40 TYR HD1 H 1 6.84 . . . . . . . 40 Y HD# . 16206 1 447 . 1 1 40 40 TYR HD2 H 1 6.84 . . . . . . . 40 Y HD# . 16206 1 448 . 1 1 40 40 TYR HE1 H 1 6.57 . . . . . . . 40 Y HE# . 16206 1 449 . 1 1 40 40 TYR HE2 H 1 6.57 . . . . . . . 40 Y HE# . 16206 1 450 . 1 1 40 40 TYR C C 13 178.10 . . . . . . . 40 Y C . 16206 1 451 . 1 1 40 40 TYR CA C 13 56.08 . . . . . . . 40 Y CA . 16206 1 452 . 1 1 40 40 TYR CB C 13 37.19 . . . . . . . 40 Y CB . 16206 1 453 . 1 1 40 40 TYR N N 15 127.10 . . . . . . . 40 Y N . 16206 1 454 . 1 1 41 41 LEU H H 1 8.41 . . . . . . . 41 L HN . 16206 1 455 . 1 1 41 41 LEU HA H 1 3.76 . . . . . . . 41 L HA . 16206 1 456 . 1 1 41 41 LEU HB2 H 1 1.74 . . . . . . . 41 L HB1 . 16206 1 457 . 1 1 41 41 LEU HB3 H 1 1.53 . . . . . . . 41 L HB2 . 16206 1 458 . 1 1 41 41 LEU HD11 H 1 0.67 . . . . . . . 41 L MD1 . 16206 1 459 . 1 1 41 41 LEU HD12 H 1 0.67 . . . . . . . 41 L MD1 . 16206 1 460 . 1 1 41 41 LEU HD13 H 1 0.67 . . . . . . . 41 L MD1 . 16206 1 461 . 1 1 41 41 LEU HD21 H 1 0.91 . . . . . . . 41 L MD2 . 16206 1 462 . 1 1 41 41 LEU HD22 H 1 0.91 . . . . . . . 41 L MD2 . 16206 1 463 . 1 1 41 41 LEU HD23 H 1 0.91 . . . . . . . 41 L MD2 . 16206 1 464 . 1 1 41 41 LEU HG H 1 1.65 . . . . . . . 41 L HG . 16206 1 465 . 1 1 41 41 LEU C C 13 179.81 . . . . . . . 41 L C . 16206 1 466 . 1 1 41 41 LEU CA C 13 58.81 . . . . . . . 41 L CA . 16206 1 467 . 1 1 41 41 LEU CB C 13 39.81 . . . . . . . 41 L CB . 16206 1 468 . 1 1 41 41 LEU CD1 C 13 25.19 . . . . . . . 41 L CD1 . 16206 1 469 . 1 1 41 41 LEU CD2 C 13 22.66 . . . . . . . 41 L CD2 . 16206 1 470 . 1 1 41 41 LEU CG C 13 27.44 . . . . . . . 41 L CG . 16206 1 471 . 1 1 41 41 LEU N N 15 121.30 . . . . . . . 41 L N . 16206 1 472 . 1 1 42 42 ASN H H 1 7.12 . . . . . . . 42 N HN . 16206 1 473 . 1 1 42 42 ASN HA H 1 4.50 . . . . . . . 42 N HA . 16206 1 474 . 1 1 42 42 ASN HB2 H 1 2.90 . . . . . . . 42 N HB1 . 16206 1 475 . 1 1 42 42 ASN HB3 H 1 2.90 . . . . . . . 42 N HB2 . 16206 1 476 . 1 1 42 42 ASN HD21 H 1 7.65 . . . . . . . 42 N HD21 . 16206 1 477 . 1 1 42 42 ASN HD22 H 1 6.99 . . . . . . . 42 N HD22 . 16206 1 478 . 1 1 42 42 ASN C C 13 176.14 . . . . . . . 42 N C . 16206 1 479 . 1 1 42 42 ASN CA C 13 55.63 . . . . . . . 42 N CA . 16206 1 480 . 1 1 42 42 ASN CB C 13 37.00 . . . . . . . 42 N CB . 16206 1 481 . 1 1 42 42 ASN N N 15 125.1 . . . . . . . 42 N N . 16206 1 482 . 1 1 42 42 ASN ND2 N 15 112.97 . . . . . . . 42 N ND2 . 16206 1 483 . 1 1 43 43 GLN H H 1 7.86 . . . . . . . 43 Q HN . 16206 1 484 . 1 1 43 43 GLN HA H 1 4.50 . . . . . . . 43 Q HA . 16206 1 485 . 1 1 43 43 GLN HB2 H 1 2.30 . . . . . . . 43 Q HB1 . 16206 1 486 . 1 1 43 43 GLN HB3 H 1 2.01 . . . . . . . 43 Q HB2 . 16206 1 487 . 1 1 43 43 GLN HE21 H 1 7.33 . . . . . . . 43 Q HE1 . 16206 1 488 . 1 1 43 43 GLN HE22 H 1 6.68 . . . . . . . 43 Q HE2 . 16206 1 489 . 1 1 43 43 GLN HG2 H 1 2.30 . . . . . . . 43 Q HG1 . 16206 1 490 . 1 1 43 43 GLN HG3 H 1 2.21 . . . . . . . 43 Q HG2 . 16206 1 491 . 1 1 43 43 GLN C C 13 175.99 . . . . . . . 43 Q C . 16206 1 492 . 1 1 43 43 GLN CA C 13 55.52 . . . . . . . 43 Q CA . 16206 1 493 . 1 1 43 43 GLN CB C 13 30.34 . . . . . . . 43 Q CB . 16206 1 494 . 1 1 43 43 GLN CG C 13 34.47 . . . . . . . 43 Q CG . 16206 1 495 . 1 1 43 43 GLN N N 15 117.25 . . . . . . . 43 Q N . 16206 1 496 . 1 1 43 43 GLN NE2 N 15 110.85 . . . . . . . 43 Q NE2 . 16206 1 497 . 1 1 44 44 GLY H H 1 7.74 . . . . . . . 44 G HN . 16206 1 498 . 1 1 44 44 GLY HA2 H 1 4.10 . . . . . . . 44 G HA1 . 16206 1 499 . 1 1 44 44 GLY HA3 H 1 3.73 . . . . . . . 44 G HA2 . 16206 1 500 . 1 1 44 44 GLY C C 13 173.67 . . . . . . . 44 G C . 16206 1 501 . 1 1 44 44 GLY CA C 13 46.37 . . . . . . . 44 G CA . 16206 1 502 . 1 1 44 44 GLY N N 15 107.69 . . . . . . . 44 G N . 16206 1 503 . 1 1 45 45 ILE H H 1 7.14 . . . . . . . 45 I HN . 16206 1 504 . 1 1 45 45 ILE HA H 1 5.75 . . . . . . . 45 I HA . 16206 1 505 . 1 1 45 45 ILE HB H 1 1.88 . . . . . . . 45 I HB . 16206 1 506 . 1 1 45 45 ILE HD11 H 1 0.66 . . . . . . . 45 I HD1 . 16206 1 507 . 1 1 45 45 ILE HD12 H 1 0.66 . . . . . . . 45 I HD1 . 16206 1 508 . 1 1 45 45 ILE HD13 H 1 0.66 . . . . . . . 45 I HD1 . 16206 1 509 . 1 1 45 45 ILE HG12 H 1 1.38 . . . . . . . 45 I HG12 . 16206 1 510 . 1 1 45 45 ILE HG13 H 1 0.91 . . . . . . . 45 I HG13 . 16206 1 511 . 1 1 45 45 ILE HG21 H 1 0.93 . . . . . . . 45 I HG2 . 16206 1 512 . 1 1 45 45 ILE HG22 H 1 0.93 . . . . . . . 45 I HG2 . 16206 1 513 . 1 1 45 45 ILE HG23 H 1 0.93 . . . . . . . 45 I HG2 . 16206 1 514 . 1 1 45 45 ILE C C 13 175.09 . . . . . . . 45 I C . 16206 1 515 . 1 1 45 45 ILE CA C 13 58.85 . . . . . . . 45 I CA . 16206 1 516 . 1 1 45 45 ILE CB C 13 44.49 . . . . . . . 45 I CB . 16206 1 517 . 1 1 45 45 ILE CD1 C 13 13.89 . . . . . . . 45 I CD1 . 16206 1 518 . 1 1 45 45 ILE CG1 C 13 26.75 . . . . . . . 45 I CG1 . 16206 1 519 . 1 1 45 45 ILE CG2 C 13 18.05 . . . . . . . 45 I CG2 . 16206 1 520 . 1 1 45 45 ILE N N 15 111.02 . . . . . . . 45 I N . 16206 1 521 . 1 1 46 46 ALA H H 1 8.75 . . . . . . . 46 A HN . 16206 1 522 . 1 1 46 46 ALA HA H 1 4.69 . . . . . . . 46 A HA . 16206 1 523 . 1 1 46 46 ALA HB1 H 1 1.00 . . . . . . . 46 A MB . 16206 1 524 . 1 1 46 46 ALA HB2 H 1 1.00 . . . . . . . 46 A MB . 16206 1 525 . 1 1 46 46 ALA HB3 H 1 1.00 . . . . . . . 46 A MB . 16206 1 526 . 1 1 46 46 ALA C C 13 174.19 . . . . . . . 46 A C . 16206 1 527 . 1 1 46 46 ALA CA C 13 51.87 . . . . . . . 46 A CA . 16206 1 528 . 1 1 46 46 ALA CB C 13 22.54 . . . . . . . 46 A CB . 16206 1 529 . 1 1 46 46 ALA N N 15 118.86 . . . . . . . 46 A N . 16206 1 530 . 1 1 47 47 LEU H H 1 8.28 . . . . . . . 47 L HN . 16206 1 531 . 1 1 47 47 LEU HA H 1 5.69 . . . . . . . 47 L HA . 16206 1 532 . 1 1 47 47 LEU HB2 H 1 1.82 . . . . . . . 47 L HB1 . 16206 1 533 . 1 1 47 47 LEU HB3 H 1 1.92 . . . . . . . 47 L HB2 . 16206 1 534 . 1 1 47 47 LEU HD11 H 1 0.85 . . . . . . . 47 L MD1 . 16206 1 535 . 1 1 47 47 LEU HD12 H 1 0.85 . . . . . . . 47 L MD1 . 16206 1 536 . 1 1 47 47 LEU HD13 H 1 0.85 . . . . . . . 47 L MD1 . 16206 1 537 . 1 1 47 47 LEU HD21 H 1 0.79 . . . . . . . 47 L MD2 . 16206 1 538 . 1 1 47 47 LEU HD22 H 1 0.79 . . . . . . . 47 L MD2 . 16206 1 539 . 1 1 47 47 LEU HD23 H 1 0.79 . . . . . . . 47 L MD2 . 16206 1 540 . 1 1 47 47 LEU HG H 1 1.69 . . . . . . . 47 L HG . 16206 1 541 . 1 1 47 47 LEU C C 13 175.76 . . . . . . . 47 L C . 16206 1 542 . 1 1 47 47 LEU CA C 13 53.37 . . . . . . . 47 L CA . 16206 1 543 . 1 1 47 47 LEU CB C 13 46.69 . . . . . . . 47 L CB . 16206 1 544 . 1 1 47 47 LEU CD1 C 13 25.69 . . . . . . . 47 L CD1 . 16206 1 545 . 1 1 47 47 LEU CD2 C 13 26.30 . . . . . . . 47 L CD2 . 16206 1 546 . 1 1 47 47 LEU CG C 13 27.92 . . . . . . . 47 L CG . 16206 1 547 . 1 1 47 47 LEU N N 15 120.95 . . . . . . . 47 L N . 16206 1 548 . 1 1 48 48 CYS H H 1 9.49 . . . . . . . 48 C HN . 16206 1 549 . 1 1 48 48 CYS HA H 1 5.07 . . . . . . . 48 C HA . 16206 1 550 . 1 1 48 48 CYS HB2 H 1 3.01 . . . . . . . 48 C HB1 . 16206 1 551 . 1 1 48 48 CYS HB3 H 1 2.76 . . . . . . . 48 C HB2 . 16206 1 552 . 1 1 48 48 CYS C C 13 170.95 . . . . . . . 48 C C . 16206 1 553 . 1 1 48 48 CYS CA C 13 56.44 . . . . . . . 48 C CA . 16206 1 554 . 1 1 48 48 CYS CB C 13 31.70 . . . . . . . 48 C CB . 16206 1 555 . 1 1 48 48 CYS N N 15 118.93 . . . . . . . 48 C N . 16206 1 556 . 1 1 49 49 LYS H H 1 8.18 . . . . . . . 49 K HN . 16206 1 557 . 1 1 49 49 LYS HA H 1 4.31 . . . . . . . 49 K HA . 16206 1 558 . 1 1 49 49 LYS HB2 H 1 0.91 . . . . . . . 49 K HB1 . 16206 1 559 . 1 1 49 49 LYS HB3 H 1 -0.37 . . . . . . . 49 K HB2 . 16206 1 560 . 1 1 49 49 LYS HD2 H 1 0.79 . . . . . . . 49 K HD1 . 16206 1 561 . 1 1 49 49 LYS HD3 H 1 0.56 . . . . . . . 49 K HD2 . 16206 1 562 . 1 1 49 49 LYS HE2 H 1 2.51 . . . . . . . 49 K HE1 . 16206 1 563 . 1 1 49 49 LYS HE3 H 1 2.51 . . . . . . . 49 K HE2 . 16206 1 564 . 1 1 49 49 LYS HG2 H 1 0.90 . . . . . . . 49 K HG1 . 16206 1 565 . 1 1 49 49 LYS HG3 H 1 -0.29 . . . . . . . 49 K HG2 . 16206 1 566 . 1 1 49 49 LYS C C 13 174.74 . . . . . . . 49 K C . 16206 1 567 . 1 1 49 49 LYS CA C 13 55.23 . . . . . . . 49 K CA . 16206 1 568 . 1 1 49 49 LYS CB C 13 35.20 . . . . . . . 49 K CB . 16206 1 569 . 1 1 49 49 LYS CD C 13 28.95 . . . . . . . 49 K CD . 16206 1 570 . 1 1 49 49 LYS CE C 13 42.52 . . . . . . . 49 K CE . 16206 1 571 . 1 1 49 49 LYS CG C 13 24.76 . . . . . . . 49 K CG . 16206 1 572 . 1 1 49 49 LYS N N 15 125.12 . . . . . . . 49 K N . 16206 1 573 . 1 1 50 50 TYR H H 1 8.43 . . . . . . . 50 Y HN . 16206 1 574 . 1 1 50 50 TYR HA H 1 4.78 . . . . . . . 50 Y HA . 16206 1 575 . 1 1 50 50 TYR HB2 H 1 3.25 . . . . . . . 50 Y HB1 . 16206 1 576 . 1 1 50 50 TYR HB3 H 1 2.72 . . . . . . . 50 Y HB2 . 16206 1 577 . 1 1 50 50 TYR HD1 H 1 6.76 . . . . . . . 50 Y HD# . 16206 1 578 . 1 1 50 50 TYR HD2 H 1 6.76 . . . . . . . 50 Y HD# . 16206 1 579 . 1 1 50 50 TYR HE1 H 1 6.47 . . . . . . . 50 Y HE# . 16206 1 580 . 1 1 50 50 TYR HE2 H 1 6.47 . . . . . . . 50 Y HE# . 16206 1 581 . 1 1 50 50 TYR C C 13 175.43 . . . . . . . 50 Y C . 16206 1 582 . 1 1 50 50 TYR CA C 13 58.01 . . . . . . . 50 Y CA . 16206 1 583 . 1 1 50 50 TYR CB C 13 41.01 . . . . . . . 50 Y CB . 16206 1 584 . 1 1 50 50 TYR N N 15 125.94 . . . . . . . 50 Y N . 16206 1 585 . 1 1 51 51 THR H H 1 7.72 . . . . . . . 51 T HN . 16206 1 586 . 1 1 51 51 THR HA H 1 3.87 . . . . . . . 51 T HA . 16206 1 587 . 1 1 51 51 THR HB H 1 4.38 . . . . . . . 51 T HB . 16206 1 588 . 1 1 51 51 THR HG21 H 1 1.22 . . . . . . . 51 T HG2 . 16206 1 589 . 1 1 51 51 THR HG22 H 1 1.22 . . . . . . . 51 T HG2 . 16206 1 590 . 1 1 51 51 THR HG23 H 1 1.22 . . . . . . . 51 T HG2 . 16206 1 591 . 1 1 51 51 THR CA C 13 65.95 . . . . . . . 51 T CA . 16206 1 592 . 1 1 51 51 THR CB C 13 68.53 . . . . . . . 51 T CB . 16206 1 593 . 1 1 51 51 THR CG2 C 13 22.65 . . . . . . . 51 T CG . 16206 1 594 . 1 1 52 52 THR H H 1 7.50 . . . . . . . 52 T HN . 16206 1 595 . 1 1 52 52 THR HA H 1 4.83 . . . . . . . 52 T HA . 16206 1 596 . 1 1 52 52 THR HB H 1 4.62 . . . . . . . 52 T HB . 16206 1 597 . 1 1 52 52 THR HG21 H 1 1.18 . . . . . . . 52 T HG2 . 16206 1 598 . 1 1 52 52 THR HG22 H 1 1.18 . . . . . . . 52 T HG2 . 16206 1 599 . 1 1 52 52 THR HG23 H 1 1.18 . . . . . . . 52 T HG2 . 16206 1 600 . 1 1 52 52 THR C C 13 174.64 . . . . . . . 52 T C . 16206 1 601 . 1 1 52 52 THR CA C 13 59.37 . . . . . . . 52 T CA . 16206 1 602 . 1 1 52 52 THR CB C 13 73.82 . . . . . . . 52 T CB . 16206 1 603 . 1 1 52 52 THR CG2 C 13 21.88 . . . . . . . 52 T CG . 16206 1 604 . 1 1 52 52 THR N N 15 107.56 . . . . . . . 52 T N . 16206 1 605 . 1 1 53 53 ARG H H 1 8.80 . . . . . . . 53 R HN . 16206 1 606 . 1 1 53 53 ARG HA H 1 3.92 . . . . . . . 53 R HA . 16206 1 607 . 1 1 53 53 ARG HB2 H 1 1.68 . . . . . . . 53 R HB1 . 16206 1 608 . 1 1 53 53 ARG HB3 H 1 1.61 . . . . . . . 53 R HB2 . 16206 1 609 . 1 1 53 53 ARG HD2 H 1 2.99 . . . . . . . 53 R HD1 . 16206 1 610 . 1 1 53 53 ARG HD3 H 1 2.99 . . . . . . . 53 R HD2 . 16206 1 611 . 1 1 53 53 ARG HG2 H 1 1.49 . . . . . . . 53 R HG1 . 16206 1 612 . 1 1 53 53 ARG HG3 H 1 1.40 . . . . . . . 53 R HG2 . 16206 1 613 . 1 1 53 53 ARG C C 13 177.97 . . . . . . . 53 R C . 16206 1 614 . 1 1 53 53 ARG CA C 13 58.34 . . . . . . . 53 R CA . 16206 1 615 . 1 1 53 53 ARG CB C 13 29.99 . . . . . . . 53 R CB . 16206 1 616 . 1 1 53 53 ARG CD C 13 43.53 . . . . . . . 53 R CD . 16206 1 617 . 1 1 53 53 ARG CG C 13 26.74 . . . . . . . 53 R CG . 16206 1 618 . 1 1 53 53 ARG N N 15 121.75 . . . . . . . 53 R N . 16206 1 619 . 1 1 54 54 GLU H H 1 8.83 . . . . . . . 54 E HN . 16206 1 620 . 1 1 54 54 GLU HA H 1 3.82 . . . . . . . 54 E HA . 16206 1 621 . 1 1 54 54 GLU HB2 H 1 1.83 . . . . . . . 54 E HB1 . 16206 1 622 . 1 1 54 54 GLU HB3 H 1 2.05 . . . . . . . 54 E HB2 . 16206 1 623 . 1 1 54 54 GLU HG2 H 1 2.39 . . . . . . . 54 E HG1 . 16206 1 624 . 1 1 54 54 GLU HG3 H 1 2.18 . . . . . . . 54 E HG2 . 16206 1 625 . 1 1 54 54 GLU C C 13 179.52 . . . . . . . 54 E C . 16206 1 626 . 1 1 54 54 GLU CA C 13 60.73 . . . . . . . 54 E CA . 16206 1 627 . 1 1 54 54 GLU CB C 13 28.68 . . . . . . . 54 E CB . 16206 1 628 . 1 1 54 54 GLU CG C 13 37.05 . . . . . . . 54 E CG . 16206 1 629 . 1 1 54 54 GLU N N 15 120.08 . . . . . . . 54 E N . 16206 1 630 . 1 1 55 55 GLU H H 1 7.60 . . . . . . . 55 E HN . 16206 1 631 . 1 1 55 55 GLU C C 13 177.89 . . . . . . . 55 E C . 16206 1 632 . 1 1 55 55 GLU N N 15 119.48 . . . . . . . 55 E N . 16206 1 633 . 1 1 56 56 ALA H H 1 8.31 . . . . . . . 56 A HN . 16206 1 634 . 1 1 56 56 ALA HA H 1 3.49 . . . . . . . 56 A HA . 16206 1 635 . 1 1 56 56 ALA HB1 H 1 1.43 . . . . . . . 56 A MB . 16206 1 636 . 1 1 56 56 ALA HB2 H 1 1.43 . . . . . . . 56 A MB . 16206 1 637 . 1 1 56 56 ALA HB3 H 1 1.43 . . . . . . . 56 A MB . 16206 1 638 . 1 1 56 56 ALA C C 13 179.06 . . . . . . . 56 A C . 16206 1 639 . 1 1 56 56 ALA CA C 13 55.24 . . . . . . . 56 A CA . 16206 1 640 . 1 1 56 56 ALA CB C 13 17.80 . . . . . . . 56 A CB . 16206 1 641 . 1 1 56 56 ALA N N 15 115.5 . . . . . . . 56 A N . 16206 1 642 . 1 1 57 57 ASN H H 1 8.31 . . . . . . . 57 N HN . 16206 1 643 . 1 1 57 57 ASN HA H 1 4.24 . . . . . . . 57 N HA . 16206 1 644 . 1 1 57 57 ASN HB2 H 1 2.54 . . . . . . . 57 N HB1 . 16206 1 645 . 1 1 57 57 ASN HB3 H 1 2.63 . . . . . . . 57 N HB2 . 16206 1 646 . 1 1 57 57 ASN HD21 H 1 7.48 . . . . . . . 57 N HD21 . 16206 1 647 . 1 1 57 57 ASN HD22 H 1 6.72 . . . . . . . 57 N HD22 . 16206 1 648 . 1 1 57 57 ASN C C 13 177.13 . . . . . . . 57 N C . 16206 1 649 . 1 1 57 57 ASN CA C 13 56.31 . . . . . . . 57 N CA . 16206 1 650 . 1 1 57 57 ASN CB C 13 38.98 . . . . . . . 57 N CB . 16206 1 651 . 1 1 57 57 ASN N N 15 116.64 . . . . . . . 57 N N . 16206 1 652 . 1 1 57 57 ASN ND2 N 15 111.44 . . . . . . . 57 N ND2 . 16206 1 653 . 1 1 58 58 LYS H H 1 7.61 . . . . . . . 58 K HN . 16206 1 654 . 1 1 58 58 LYS HA H 1 3.82 . . . . . . . 58 K HA . 16206 1 655 . 1 1 58 58 LYS HB2 H 1 1.84 . . . . . . . 58 K HB1 . 16206 1 656 . 1 1 58 58 LYS HB3 H 1 1.84 . . . . . . . 58 K HB2 . 16206 1 657 . 1 1 58 58 LYS HD2 H 1 1.67 . . . . . . . 58 K HD1 . 16206 1 658 . 1 1 58 58 LYS HD3 H 1 1.67 . . . . . . . 58 K HD2 . 16206 1 659 . 1 1 58 58 LYS HE2 H 1 2.94 . . . . . . . 58 K HE1 . 16206 1 660 . 1 1 58 58 LYS HE3 H 1 2.94 . . . . . . . 58 K HE2 . 16206 1 661 . 1 1 58 58 LYS HG2 H 1 1.55 . . . . . . . 58 K HG1 . 16206 1 662 . 1 1 58 58 LYS HG3 H 1 1.42 . . . . . . . 58 K HG2 . 16206 1 663 . 1 1 58 58 LYS C C 13 179.34 . . . . . . . 58 K C . 16206 1 664 . 1 1 58 58 LYS CA C 13 59.52 . . . . . . . 58 K CA . 16206 1 665 . 1 1 58 58 LYS CB C 13 32.05 . . . . . . . 58 K CB . 16206 1 666 . 1 1 58 58 LYS CD C 13 29.34 . . . . . . . 58 K CD . 16206 1 667 . 1 1 58 58 LYS CE C 13 42.00 . . . . . . . 58 K CE . 16206 1 668 . 1 1 58 58 LYS CG C 13 25.37 . . . . . . . 58 K CG . 16206 1 669 . 1 1 58 58 LYS N N 15 120.25 . . . . . . . 58 K N . 16206 1 670 . 1 1 59 59 ALA H H 1 7.85 . . . . . . . 59 A HN . 16206 1 671 . 1 1 59 59 ALA HB1 H 1 1.07 . . . . . . . 59 A MB . 16206 1 672 . 1 1 59 59 ALA HB2 H 1 1.07 . . . . . . . 59 A MB . 16206 1 673 . 1 1 59 59 ALA HB3 H 1 1.07 . . . . . . . 59 A MB . 16206 1 674 . 1 1 59 59 ALA C C 13 178.53 . . . . . . . 59 A C . 16206 1 675 . 1 1 59 59 ALA CA C 13 54.69 . . . . . . . 59 A CA . 16206 1 676 . 1 1 59 59 ALA CB C 13 19.18 . . . . . . . 59 A CB . 16206 1 677 . 1 1 59 59 ALA N N 15 122.69 . . . . . . . 59 A N . 16206 1 678 . 1 1 60 60 GLN H H 1 8.44 . . . . . . . 60 Q HN . 16206 1 679 . 1 1 60 60 GLN HA H 1 3.38 . . . . . . . 60 Q HA . 16206 1 680 . 1 1 60 60 GLN HB2 H 1 2.34 . . . . . . . 60 Q HB1 . 16206 1 681 . 1 1 60 60 GLN HB3 H 1 1.97 . . . . . . . 60 Q HB2 . 16206 1 682 . 1 1 60 60 GLN HE21 H 1 7.24 . . . . . . . 60 Q HE1 . 16206 1 683 . 1 1 60 60 GLN HE22 H 1 6.57 . . . . . . . 60 Q HE2 . 16206 1 684 . 1 1 60 60 GLN HG2 H 1 2.23 . . . . . . . 60 Q HG1 . 16206 1 685 . 1 1 60 60 GLN HG3 H 1 1.98 . . . . . . . 60 Q HG2 . 16206 1 686 . 1 1 60 60 GLN CA C 13 60.06 . . . . . . . 60 Q CA . 16206 1 687 . 1 1 60 60 GLN CB C 13 26.93 . . . . . . . 60 Q CB . 16206 1 688 . 1 1 60 60 GLN CG C 13 32.97 . . . . . . . 60 Q CG . 16206 1 689 . 1 1 60 60 GLN N N 15 118.69 . . . . . . . 60 Q N . 16206 1 690 . 1 1 60 60 GLN NE2 N 15 108.18 . . . . . . . 60 Q NE2 . 16206 1 691 . 1 1 61 61 MET H H 1 7.45 . . . . . . . 61 M HN . 16206 1 692 . 1 1 61 61 MET HA H 1 4.00 . . . . . . . 61 M HA . 16206 1 693 . 1 1 61 61 MET HB2 H 1 2.02 . . . . . . . 61 M HB1 . 16206 1 694 . 1 1 61 61 MET HB3 H 1 2.02 . . . . . . . 61 M HB2 . 16206 1 695 . 1 1 61 61 MET HG2 H 1 2.78 . . . . . . . 61 M HG1 . 16206 1 696 . 1 1 61 61 MET HG3 H 1 2.59 . . . . . . . 61 M HG2 . 16206 1 697 . 1 1 61 61 MET C C 13 177.93 . . . . . . . 61 M C . 16206 1 698 . 1 1 61 61 MET CA C 13 57.69 . . . . . . . 61 M CA . 16206 1 699 . 1 1 61 61 MET CB C 13 32.49 . . . . . . . 61 M CB . 16206 1 700 . 1 1 61 61 MET CG C 13 32.16 . . . . . . . 61 M CG . 16206 1 701 . 1 1 61 61 MET N N 15 114.55 . . . . . . . 61 M N . 16206 1 702 . 1 1 62 62 ALA H H 1 7.34 . . . . . . . 62 A HN . 16206 1 703 . 1 1 62 62 ALA HA H 1 4.15 . . . . . . . 62 A HA . 16206 1 704 . 1 1 62 62 ALA HB1 H 1 1.19 . . . . . . . 62 A MB . 16206 1 705 . 1 1 62 62 ALA HB2 H 1 1.19 . . . . . . . 62 A MB . 16206 1 706 . 1 1 62 62 ALA HB3 H 1 1.19 . . . . . . . 62 A MB . 16206 1 707 . 1 1 62 62 ALA C C 13 179.29 . . . . . . . 62 A C . 16206 1 708 . 1 1 62 62 ALA CA C 13 53.75 . . . . . . . 62 A CA . 16206 1 709 . 1 1 62 62 ALA CB C 13 19.96 . . . . . . . 62 A CB . 16206 1 710 . 1 1 62 62 ALA N N 15 120.29 . . . . . . . 62 A N . 16206 1 711 . 1 1 63 63 LEU H H 1 8.24 . . . . . . . 63 L HN . 16206 1 712 . 1 1 63 63 LEU HA H 1 4.19 . . . . . . . 63 L HA . 16206 1 713 . 1 1 63 63 LEU HB2 H 1 1.17 . . . . . . . 63 L HB1 . 16206 1 714 . 1 1 63 63 LEU HB3 H 1 1.55 . . . . . . . 63 L HB2 . 16206 1 715 . 1 1 63 63 LEU HD11 H 1 0.84 . . . . . . . 63 L MD1 . 16206 1 716 . 1 1 63 63 LEU HD12 H 1 0.84 . . . . . . . 63 L MD1 . 16206 1 717 . 1 1 63 63 LEU HD13 H 1 0.84 . . . . . . . 63 L MD1 . 16206 1 718 . 1 1 63 63 LEU HD21 H 1 0.77 . . . . . . . 63 L MD2 . 16206 1 719 . 1 1 63 63 LEU HD22 H 1 0.77 . . . . . . . 63 L MD2 . 16206 1 720 . 1 1 63 63 LEU HD23 H 1 0.77 . . . . . . . 63 L MD2 . 16206 1 721 . 1 1 63 63 LEU HG H 1 1.64 . . . . . . . 63 L HG . 16206 1 722 . 1 1 63 63 LEU C C 13 176.99 . . . . . . . 63 L C . 16206 1 723 . 1 1 63 63 LEU CA C 13 55.78 . . . . . . . 63 L CA . 16206 1 724 . 1 1 63 63 LEU CB C 13 42.99 . . . . . . . 63 L CB . 16206 1 725 . 1 1 63 63 LEU CD1 C 13 26.82 . . . . . . . 63 L CD1 . 16206 1 726 . 1 1 63 63 LEU CD2 C 13 23.95 . . . . . . . 63 L CD2 . 16206 1 727 . 1 1 63 63 LEU CG C 13 27.68 . . . . . . . 63 L CG . 16206 1 728 . 1 1 63 63 LEU N N 15 116.75 . . . . . . . 63 L N . 16206 1 729 . 1 1 64 64 ASN H H 1 7.65 . . . . . . . 64 N HN . 16206 1 730 . 1 1 64 64 ASN HA H 1 4.33 . . . . . . . 64 N HA . 16206 1 731 . 1 1 64 64 ASN HB2 H 1 3.04 . . . . . . . 64 N HB1 . 16206 1 732 . 1 1 64 64 ASN HB3 H 1 2.80 . . . . . . . 64 N HB2 . 16206 1 733 . 1 1 64 64 ASN HD21 H 1 7.83 . . . . . . . 64 N HD21 . 16206 1 734 . 1 1 64 64 ASN HD22 H 1 6.90 . . . . . . . 64 N HD22 . 16206 1 735 . 1 1 64 64 ASN C C 13 176.42 . . . . . . . 64 N C . 16206 1 736 . 1 1 64 64 ASN CA C 13 55.90 . . . . . . . 64 N CA . 16206 1 737 . 1 1 64 64 ASN CB C 13 38.70 . . . . . . . 64 N CB . 16206 1 738 . 1 1 64 64 ASN N N 15 115.68 . . . . . . . 64 N N . 16206 1 739 . 1 1 64 64 ASN ND2 N 15 113.84 . . . . . . . 64 N ND2 . 16206 1 740 . 1 1 65 65 ASN H H 1 9.16 . . . . . . . 65 N HN . 16206 1 741 . 1 1 65 65 ASN HA H 1 4.10 . . . . . . . 65 N HA . 16206 1 742 . 1 1 65 65 ASN HB2 H 1 3.03 . . . . . . . 65 N HB1 . 16206 1 743 . 1 1 65 65 ASN HB3 H 1 2.93 . . . . . . . 65 N HB2 . 16206 1 744 . 1 1 65 65 ASN HD21 H 1 7.42 . . . . . . . 65 N HD21 . 16206 1 745 . 1 1 65 65 ASN HD22 H 1 6.61 . . . . . . . 65 N HD22 . 16206 1 746 . 1 1 65 65 ASN C C 13 174.03 . . . . . . . 65 N C . 16206 1 747 . 1 1 65 65 ASN CA C 13 55.44 . . . . . . . 65 N CA . 16206 1 748 . 1 1 65 65 ASN CB C 13 37.35 . . . . . . . 65 N CB . 16206 1 749 . 1 1 65 65 ASN N N 15 121.44 . . . . . . . 65 N N . 16206 1 750 . 1 1 65 65 ASN ND2 N 15 111.77 . . . . . . . 65 N ND2 . 16206 1 751 . 1 1 66 66 CYS H H 1 7.67 . . . . . . . 66 C HN . 16206 1 752 . 1 1 66 66 CYS HA H 1 4.43 . . . . . . . 66 C HA . 16206 1 753 . 1 1 66 66 CYS HB2 H 1 2.85 . . . . . . . 66 C HB1 . 16206 1 754 . 1 1 66 66 CYS HB3 H 1 2.85 . . . . . . . 66 C HB2 . 16206 1 755 . 1 1 66 66 CYS C C 13 173.30 . . . . . . . 66 C C . 16206 1 756 . 1 1 66 66 CYS CA C 13 59.30 . . . . . . . 66 C CA . 16206 1 757 . 1 1 66 66 CYS CB C 13 28.31 . . . . . . . 66 C CB . 16206 1 758 . 1 1 66 66 CYS N N 15 119.63 . . . . . . . 66 C N . 16206 1 759 . 1 1 67 67 VAL H H 1 8.32 . . . . . . . 67 V HN . 16206 1 760 . 1 1 67 67 VAL HA H 1 4.51 . . . . . . . 67 V HA . 16206 1 761 . 1 1 67 67 VAL HB H 1 1.82 . . . . . . . 67 V HB . 16206 1 762 . 1 1 67 67 VAL HG11 H 1 0.75 . . . . . . . 67 V MG1 . 16206 1 763 . 1 1 67 67 VAL HG12 H 1 0.75 . . . . . . . 67 V MG1 . 16206 1 764 . 1 1 67 67 VAL HG13 H 1 0.75 . . . . . . . 67 V MG1 . 16206 1 765 . 1 1 67 67 VAL HG21 H 1 0.89 . . . . . . . 67 V MG2 . 16206 1 766 . 1 1 67 67 VAL HG22 H 1 0.89 . . . . . . . 67 V MG2 . 16206 1 767 . 1 1 67 67 VAL HG23 H 1 0.89 . . . . . . . 67 V MG2 . 16206 1 768 . 1 1 67 67 VAL CA C 13 62.41 . . . . . . . 67 V CA . 16206 1 769 . 1 1 67 67 VAL CB C 13 32.43 . . . . . . . 67 V CB . 16206 1 770 . 1 1 67 67 VAL CG1 C 13 21.00 . . . . . . . 67 V CG1 . 16206 1 771 . 1 1 67 67 VAL CG2 C 13 21.53 . . . . . . . 67 V CG2 . 16206 1 772 . 1 1 67 67 VAL N N 15 126.40 . . . . . . . 67 V N . 16206 1 773 . 1 1 68 68 LEU H H 1 8.32 . . . . . . . 68 L HN . 16206 1 774 . 1 1 68 68 LEU HA H 1 4.39 . . . . . . . 68 L HA . 16206 1 775 . 1 1 68 68 LEU HB2 H 1 1.47 . . . . . . . 68 L HB1 . 16206 1 776 . 1 1 68 68 LEU HB3 H 1 1.24 . . . . . . . 68 L HB2 . 16206 1 777 . 1 1 68 68 LEU HD11 H 1 0.87 . . . . . . . 68 L MD1 . 16206 1 778 . 1 1 68 68 LEU HD12 H 1 0.87 . . . . . . . 68 L MD1 . 16206 1 779 . 1 1 68 68 LEU HD13 H 1 0.87 . . . . . . . 68 L MD1 . 16206 1 780 . 1 1 68 68 LEU HD21 H 1 0.77 . . . . . . . 68 L MD2 . 16206 1 781 . 1 1 68 68 LEU HD22 H 1 0.77 . . . . . . . 68 L MD2 . 16206 1 782 . 1 1 68 68 LEU HD23 H 1 0.77 . . . . . . . 68 L MD2 . 16206 1 783 . 1 1 68 68 LEU HG H 1 1.46 . . . . . . . 68 L HG . 16206 1 784 . 1 1 68 68 LEU CA C 13 54.27 . . . . . . . 68 L CA . 16206 1 785 . 1 1 68 68 LEU CB C 13 45.21 . . . . . . . 68 L CB . 16206 1 786 . 1 1 68 68 LEU CD1 C 13 24.06 . . . . . . . 68 L CD1 . 16206 1 787 . 1 1 68 68 LEU CD2 C 13 26.59 . . . . . . . 68 L CD2 . 16206 1 788 . 1 1 68 68 LEU CG C 13 27.94 . . . . . . . 68 L CG . 16206 1 789 . 1 1 68 68 LEU N N 15 128.93 . . . . . . . 68 L N . 16206 1 790 . 1 1 69 69 ALA H H 1 8.83 . . . . . . . 69 A HN . 16206 1 791 . 1 1 69 69 ALA HA H 1 3.77 . . . . . . . 69 A HA . 16206 1 792 . 1 1 69 69 ALA HB1 H 1 1.29 . . . . . . . 69 A MB . 16206 1 793 . 1 1 69 69 ALA HB2 H 1 1.29 . . . . . . . 69 A MB . 16206 1 794 . 1 1 69 69 ALA HB3 H 1 1.29 . . . . . . . 69 A MB . 16206 1 795 . 1 1 69 69 ALA C C 13 176.10 . . . . . . . 69 A C . 16206 1 796 . 1 1 69 69 ALA CA C 13 53.47 . . . . . . . 69 A CA . 16206 1 797 . 1 1 69 69 ALA CB C 13 16.81 . . . . . . . 69 A CB . 16206 1 798 . 1 1 69 69 ALA N N 15 126.57 . . . . . . . 69 A N . 16206 1 799 . 1 1 70 70 ASN H H 1 8.12 . . . . . . . 70 N HN . 16206 1 800 . 1 1 70 70 ASN HA H 1 4.52 . . . . . . . 70 N HA . 16206 1 801 . 1 1 70 70 ASN HB2 H 1 2.73 . . . . . . . 70 N HB1 . 16206 1 802 . 1 1 70 70 ASN HB3 H 1 3.03 . . . . . . . 70 N HB2 . 16206 1 803 . 1 1 70 70 ASN HD21 H 1 7.52 . . . . . . . 70 N HD21 . 16206 1 804 . 1 1 70 70 ASN HD22 H 1 6.97 . . . . . . . 70 N HD22 . 16206 1 805 . 1 1 70 70 ASN C C 13 174.47 . . . . . . . 70 N C . 16206 1 806 . 1 1 70 70 ASN CA C 13 53.00 . . . . . . . 70 N CA . 16206 1 807 . 1 1 70 70 ASN CB C 13 37.75 . . . . . . . 70 N CB . 16206 1 808 . 1 1 70 70 ASN N N 15 117.09 . . . . . . . 70 N N . 16206 1 809 . 1 1 70 70 ASN ND2 N 15 111.18 . . . . . . . 70 N ND2 . 16206 1 810 . 1 1 71 71 THR H H 1 8.19 . . . . . . . 71 T HN . 16206 1 811 . 1 1 71 71 THR HA H 1 4.69 . . . . . . . 71 T HA . 16206 1 812 . 1 1 71 71 THR HB H 1 3.87 . . . . . . . 71 T HB . 16206 1 813 . 1 1 71 71 THR HG1 H 1 5.32 . . . . . . . 71 T HG1 . 16206 1 814 . 1 1 71 71 THR HG21 H 1 1.22 . . . . . . . 71 T HG2 . 16206 1 815 . 1 1 71 71 THR HG22 H 1 1.22 . . . . . . . 71 T HG2 . 16206 1 816 . 1 1 71 71 THR HG23 H 1 1.22 . . . . . . . 71 T HG2 . 16206 1 817 . 1 1 71 71 THR C C 13 171.66 . . . . . . . 71 T C . 16206 1 818 . 1 1 71 71 THR CA C 13 59.65 . . . . . . . 71 T CA . 16206 1 819 . 1 1 71 71 THR CB C 13 71.35 . . . . . . . 71 T CB . 16206 1 820 . 1 1 71 71 THR CG2 C 13 19.63 . . . . . . . 71 T CG . 16206 1 821 . 1 1 71 71 THR N N 15 115.79 . . . . . . . 71 T N . 16206 1 822 . 1 1 72 72 THR H H 1 7.79 . . . . . . . 72 T HN . 16206 1 823 . 1 1 72 72 THR HA H 1 4.51 . . . . . . . 72 T HA . 16206 1 824 . 1 1 72 72 THR HB H 1 3.66 . . . . . . . 72 T HB . 16206 1 825 . 1 1 72 72 THR HG21 H 1 0.82 . . . . . . . 72 T HG2 . 16206 1 826 . 1 1 72 72 THR HG22 H 1 0.82 . . . . . . . 72 T HG2 . 16206 1 827 . 1 1 72 72 THR HG23 H 1 0.82 . . . . . . . 72 T HG2 . 16206 1 828 . 1 1 72 72 THR C C 13 172.83 . . . . . . . 72 T C . 16206 1 829 . 1 1 72 72 THR CA C 13 61.58 . . . . . . . 72 T CA . 16206 1 830 . 1 1 72 72 THR CB C 13 70.10 . . . . . . . 72 T CB . 16206 1 831 . 1 1 72 72 THR CG2 C 13 21.56 . . . . . . . 72 T CG . 16206 1 832 . 1 1 72 72 THR N N 15 119.74 . . . . . . . 72 T N . 16206 1 833 . 1 1 73 73 ILE H H 1 8.87 . . . . . . . 73 I HN . 16206 1 834 . 1 1 73 73 ILE HA H 1 3.91 . . . . . . . 73 I HA . 16206 1 835 . 1 1 73 73 ILE HB H 1 2.02 . . . . . . . 73 I HB . 16206 1 836 . 1 1 73 73 ILE HD11 H 1 0.65 . . . . . . . 73 I HD1 . 16206 1 837 . 1 1 73 73 ILE HD12 H 1 0.65 . . . . . . . 73 I HD1 . 16206 1 838 . 1 1 73 73 ILE HD13 H 1 0.65 . . . . . . . 73 I HD1 . 16206 1 839 . 1 1 73 73 ILE HG12 H 1 1.60 . . . . . . . 73 I HG12 . 16206 1 840 . 1 1 73 73 ILE HG13 H 1 0.86 . . . . . . . 73 I HG13 . 16206 1 841 . 1 1 73 73 ILE HG21 H 1 0.80 . . . . . . . 73 I HG2 . 16206 1 842 . 1 1 73 73 ILE HG22 H 1 0.80 . . . . . . . 73 I HG2 . 16206 1 843 . 1 1 73 73 ILE HG23 H 1 0.80 . . . . . . . 73 I HG2 . 16206 1 844 . 1 1 73 73 ILE C C 13 174.93 . . . . . . . 73 I C . 16206 1 845 . 1 1 73 73 ILE CA C 13 61.87 . . . . . . . 73 I CA . 16206 1 846 . 1 1 73 73 ILE CB C 13 39.03 . . . . . . . 73 I CB . 16206 1 847 . 1 1 73 73 ILE CD1 C 13 13.66 . . . . . . . 73 I CD1 . 16206 1 848 . 1 1 73 73 ILE CG1 C 13 27.32 . . . . . . . 73 I CG1 . 16206 1 849 . 1 1 73 73 ILE CG2 C 13 18.87 . . . . . . . 73 I CG2 . 16206 1 850 . 1 1 73 73 ILE N N 15 125.59 . . . . . . . 73 I N . 16206 1 851 . 1 1 74 74 PHE H H 1 7.72 . . . . . . . 74 F HN . 16206 1 852 . 1 1 74 74 PHE HA H 1 5.31 . . . . . . . 74 F HA . 16206 1 853 . 1 1 74 74 PHE HB2 H 1 3.24 . . . . . . . 74 F HB1 . 16206 1 854 . 1 1 74 74 PHE HB3 H 1 2.67 . . . . . . . 74 F HB2 . 16206 1 855 . 1 1 74 74 PHE HD1 H 1 7.18 . . . . . . . 74 F HD# . 16206 1 856 . 1 1 74 74 PHE HD2 H 1 7.18 . . . . . . . 74 F HD# . 16206 1 857 . 1 1 74 74 PHE HE1 H 1 7.17 . . . . . . . 74 F HE# . 16206 1 858 . 1 1 74 74 PHE HE2 H 1 7.17 . . . . . . . 74 F HE# . 16206 1 859 . 1 1 74 74 PHE C C 13 174.03 . . . . . . . 74 F C . 16206 1 860 . 1 1 74 74 PHE CA C 13 54.89 . . . . . . . 74 F CA . 16206 1 861 . 1 1 74 74 PHE CB C 13 40.95 . . . . . . . 74 F CB . 16206 1 862 . 1 1 74 74 PHE N N 15 123.04 . . . . . . . 74 F N . 16206 1 863 . 1 1 75 75 ALA H H 1 9.02 . . . . . . . 75 A HN . 16206 1 864 . 1 1 75 75 ALA HA H 1 5.78 . . . . . . . 75 A HA . 16206 1 865 . 1 1 75 75 ALA HB1 H 1 1.23 . . . . . . . 75 A MB . 16206 1 866 . 1 1 75 75 ALA HB2 H 1 1.23 . . . . . . . 75 A MB . 16206 1 867 . 1 1 75 75 ALA HB3 H 1 1.23 . . . . . . . 75 A MB . 16206 1 868 . 1 1 75 75 ALA C C 13 175.68 . . . . . . . 75 A C . 16206 1 869 . 1 1 75 75 ALA CA C 13 50.04 . . . . . . . 75 A CA . 16206 1 870 . 1 1 75 75 ALA CB C 13 23.62 . . . . . . . 75 A CB . 16206 1 871 . 1 1 75 75 ALA N N 15 125.27 . . . . . . . 75 A N . 16206 1 872 . 1 1 76 76 GLU H H 1 9.22 . . . . . . . 76 E HN . 16206 1 873 . 1 1 76 76 GLU HA H 1 4.66 . . . . . . . 76 E HA . 16206 1 874 . 1 1 76 76 GLU HB2 H 1 2.02 . . . . . . . 76 E HB1 . 16206 1 875 . 1 1 76 76 GLU HB3 H 1 1.85 . . . . . . . 76 E HB2 . 16206 1 876 . 1 1 76 76 GLU HG2 H 1 2.14 . . . . . . . 76 E HG1 . 16206 1 877 . 1 1 76 76 GLU HG3 H 1 1.93 . . . . . . . 76 E HG2 . 16206 1 878 . 1 1 76 76 GLU C C 13 173.99 . . . . . . . 76 E C . 16206 1 879 . 1 1 76 76 GLU CA C 13 54.32 . . . . . . . 76 E CA . 16206 1 880 . 1 1 76 76 GLU CB C 13 34.36 . . . . . . . 76 E CB . 16206 1 881 . 1 1 76 76 GLU CG C 13 35.95 . . . . . . . 76 E CG . 16206 1 882 . 1 1 76 76 GLU N N 15 120.63 . . . . . . . 76 E N . 16206 1 883 . 1 1 77 77 SER H H 1 8.83 . . . . . . . 77 S HN . 16206 1 884 . 1 1 77 77 SER HA H 1 5.42 . . . . . . . 77 S HA . 16206 1 885 . 1 1 77 77 SER HB2 H 1 3.71 . . . . . . . 77 S HB1 . 16206 1 886 . 1 1 77 77 SER HB3 H 1 3.98 . . . . . . . 77 S HB2 . 16206 1 887 . 1 1 77 77 SER C C 13 172.69 . . . . . . . 77 S C . 16206 1 888 . 1 1 77 77 SER CA C 13 54.16 . . . . . . . 77 S CA . 16206 1 889 . 1 1 77 77 SER CB C 13 63.65 . . . . . . . 77 S CB . 16206 1 890 . 1 1 77 77 SER N N 15 117.71 . . . . . . . 77 S N . 16206 1 891 . 1 1 78 78 PRO HA H 1 4.75 . . . . . . . 78 P HA . 16206 1 892 . 1 1 78 78 PRO HB2 H 1 2.10 . . . . . . . 78 P HB1 . 16206 1 893 . 1 1 78 78 PRO HB3 H 1 1.95 . . . . . . . 78 P HB2 . 16206 1 894 . 1 1 78 78 PRO HD2 H 1 3.76 . . . . . . . 78 P HD1 . 16206 1 895 . 1 1 78 78 PRO HD3 H 1 3.76 . . . . . . . 78 P HD2 . 16206 1 896 . 1 1 78 78 PRO HG2 H 1 1.52 . . . . . . . 78 P HG1 . 16206 1 897 . 1 1 78 78 PRO HG3 H 1 1.63 . . . . . . . 78 P HG2 . 16206 1 898 . 1 1 78 78 PRO CA C 13 61.68 . . . . . . . 78 P CA . 16206 1 899 . 1 1 78 78 PRO CB C 13 32.18 . . . . . . . 78 P CB . 16206 1 900 . 1 1 78 78 PRO CD C 13 50.37 . . . . . . . 78 P CD . 16206 1 901 . 1 1 78 78 PRO CG C 13 26.85 . . . . . . . 78 P CG . 16206 1 902 . 1 1 79 79 SER H H 1 8.76 . . . . . . . 79 S HN . 16206 1 903 . 1 1 79 79 SER HA H 1 4.39 . . . . . . . 79 S HA . 16206 1 904 . 1 1 79 79 SER HB2 H 1 4.24 . . . . . . . 79 S HB1 . 16206 1 905 . 1 1 79 79 SER HB3 H 1 3.98 . . . . . . . 79 S HB2 . 16206 1 906 . 1 1 79 79 SER C C 13 174.99 . . . . . . . 79 S C . 16206 1 907 . 1 1 79 79 SER CA C 13 57.45 . . . . . . . 79 S CA . 16206 1 908 . 1 1 79 79 SER CB C 13 64.95 . . . . . . . 79 S CB . 16206 1 909 . 1 1 79 79 SER N N 15 115.86 . . . . . . . 79 S N . 16206 1 910 . 1 1 80 80 GLU H H 1 9.00 . . . . . . . 80 E HN . 16206 1 911 . 1 1 80 80 GLU HA H 1 3.63 . . . . . . . 80 E HA . 16206 1 912 . 1 1 80 80 GLU HB2 H 1 1.96 . . . . . . . 80 E HB1 . 16206 1 913 . 1 1 80 80 GLU HB3 H 1 1.96 . . . . . . . 80 E HB2 . 16206 1 914 . 1 1 80 80 GLU HG2 H 1 2.33 . . . . . . . 80 E HG1 . 16206 1 915 . 1 1 80 80 GLU HG3 H 1 2.33 . . . . . . . 80 E HG2 . 16206 1 916 . 1 1 80 80 GLU C C 13 178.67 . . . . . . . 80 E C . 16206 1 917 . 1 1 80 80 GLU CA C 13 60.20 . . . . . . . 80 E CA . 16206 1 918 . 1 1 80 80 GLU CB C 13 29.09 . . . . . . . 80 E CB . 16206 1 919 . 1 1 80 80 GLU CG C 13 36.69 . . . . . . . 80 E CG . 16206 1 920 . 1 1 80 80 GLU N N 15 121.34 . . . . . . . 80 E N . 16206 1 921 . 1 1 81 81 ASN H H 1 8.32 . . . . . . . 81 N HN . 16206 1 922 . 1 1 81 81 ASN HA H 1 4.29 . . . . . . . 81 N HA . 16206 1 923 . 1 1 81 81 ASN HB2 H 1 2.63 . . . . . . . 81 N HB1 . 16206 1 924 . 1 1 81 81 ASN HB3 H 1 2.63 . . . . . . . 81 N HB2 . 16206 1 925 . 1 1 81 81 ASN HD21 H 1 7.57 . . . . . . . 81 N HD21 . 16206 1 926 . 1 1 81 81 ASN HD22 H 1 6.90 . . . . . . . 81 N HD22 . 16206 1 927 . 1 1 81 81 ASN CA C 13 56.14 . . . . . . . 81 N CA . 16206 1 928 . 1 1 81 81 ASN CB C 13 38.07 . . . . . . . 81 N CB . 16206 1 929 . 1 1 81 81 ASN N N 15 115.98 . . . . . . . 81 N N . 16206 1 930 . 1 1 81 81 ASN ND2 N 15 112.90 . . . . . . . 81 N ND2 . 16206 1 931 . 1 1 82 82 GLU H H 1 7.62 . . . . . . . 82 E HN . 16206 1 932 . 1 1 82 82 GLU HA H 1 3.89 . . . . . . . 82 E HA . 16206 1 933 . 1 1 82 82 GLU HB2 H 1 1.81 . . . . . . . 82 E HB1 . 16206 1 934 . 1 1 82 82 GLU HB3 H 1 2.13 . . . . . . . 82 E HB2 . 16206 1 935 . 1 1 82 82 GLU HG2 H 1 2.13 . . . . . . . 82 E HG1 . 16206 1 936 . 1 1 82 82 GLU HG3 H 1 2.13 . . . . . . . 82 E HG2 . 16206 1 937 . 1 1 82 82 GLU C C 13 178.91 . . . . . . . 82 E C . 16206 1 938 . 1 1 82 82 GLU CA C 13 59.00 . . . . . . . 82 E CA . 16206 1 939 . 1 1 82 82 GLU CB C 13 29.64 . . . . . . . 82 E CB . 16206 1 940 . 1 1 82 82 GLU CG C 13 37.05 . . . . . . . 82 E CG . 16206 1 941 . 1 1 82 82 GLU N N 15 121.77 . . . . . . . 82 E N . 16206 1 942 . 1 1 83 83 VAL H H 1 7.65 . . . . . . . 83 V HN . 16206 1 943 . 1 1 83 83 VAL HA H 1 2.95 . . . . . . . 83 V HA . 16206 1 944 . 1 1 83 83 VAL HB H 1 1.45 . . . . . . . 83 V HB . 16206 1 945 . 1 1 83 83 VAL HG11 H 1 -0.48 . . . . . . . 83 V MG1 . 16206 1 946 . 1 1 83 83 VAL HG12 H 1 -0.48 . . . . . . . 83 V MG1 . 16206 1 947 . 1 1 83 83 VAL HG13 H 1 -0.48 . . . . . . . 83 V MG1 . 16206 1 948 . 1 1 83 83 VAL HG21 H 1 0.11 . . . . . . . 83 V MG2 . 16206 1 949 . 1 1 83 83 VAL HG22 H 1 0.11 . . . . . . . 83 V MG2 . 16206 1 950 . 1 1 83 83 VAL HG23 H 1 0.11 . . . . . . . 83 V MG2 . 16206 1 951 . 1 1 83 83 VAL C C 13 177.22 . . . . . . . 83 V C . 16206 1 952 . 1 1 83 83 VAL CA C 13 67.09 . . . . . . . 83 V CA . 16206 1 953 . 1 1 83 83 VAL CB C 13 30.96 . . . . . . . 83 V CB . 16206 1 954 . 1 1 83 83 VAL CG1 C 13 19.65 . . . . . . . 83 V CG1 . 16206 1 955 . 1 1 83 83 VAL CG2 C 13 21.98 . . . . . . . 83 V CG2 . 16206 1 956 . 1 1 83 83 VAL N N 15 119.25 . . . . . . . 83 V N . 16206 1 957 . 1 1 84 84 GLN H H 1 7.67 . . . . . . . 84 Q HN . 16206 1 958 . 1 1 84 84 GLN HA H 1 3.67 . . . . . . . 84 Q HA . 16206 1 959 . 1 1 84 84 GLN HB2 H 1 1.95 . . . . . . . 84 Q HB1 . 16206 1 960 . 1 1 84 84 GLN HB3 H 1 1.95 . . . . . . . 84 Q HB2 . 16206 1 961 . 1 1 84 84 GLN HE21 H 1 7.34 . . . . . . . 84 Q HE1 . 16206 1 962 . 1 1 84 84 GLN HE22 H 1 6.67 . . . . . . . 84 Q HE2 . 16206 1 963 . 1 1 84 84 GLN HG2 H 1 2.28 . . . . . . . 84 Q HG1 . 16206 1 964 . 1 1 84 84 GLN HG3 H 1 2.28 . . . . . . . 84 Q HG2 . 16206 1 965 . 1 1 84 84 GLN C C 13 177.94 . . . . . . . 84 Q C . 16206 1 966 . 1 1 84 84 GLN CA C 13 58.62 . . . . . . . 84 Q CA . 16206 1 967 . 1 1 84 84 GLN CB C 13 27.77 . . . . . . . 84 Q CB . 16206 1 968 . 1 1 84 84 GLN CG C 13 33.59 . . . . . . . 84 Q CG . 16206 1 969 . 1 1 84 84 GLN N N 15 116.88 . . . . . . . 84 Q N . 16206 1 970 . 1 1 84 84 GLN NE2 N 15 110.96 . . . . . . . 84 Q NE2 . 16206 1 971 . 1 1 85 85 SER H H 1 7.44 . . . . . . . 85 S HN . 16206 1 972 . 1 1 85 85 SER HA H 1 4.08 . . . . . . . 85 S HA . 16206 1 973 . 1 1 85 85 SER HB2 H 1 3.82 . . . . . . . 85 S HB1 . 16206 1 974 . 1 1 85 85 SER HB3 H 1 3.82 . . . . . . . 85 S HB2 . 16206 1 975 . 1 1 85 85 SER C C 13 176.11 . . . . . . . 85 S C . 16206 1 976 . 1 1 85 85 SER CA C 13 60.94 . . . . . . . 85 S CA . 16206 1 977 . 1 1 85 85 SER CB C 13 62.95 . . . . . . . 85 S CB . 16206 1 978 . 1 1 85 85 SER N N 15 112.86 . . . . . . . 85 S N . 16206 1 979 . 1 1 86 86 ILE H H 1 7.51 . . . . . . . 86 I HN . 16206 1 980 . 1 1 86 86 ILE HA H 1 3.50 . . . . . . . 86 I HA . 16206 1 981 . 1 1 86 86 ILE HB H 1 1.51 . . . . . . . 86 I HB . 16206 1 982 . 1 1 86 86 ILE HD11 H 1 0.61 . . . . . . . 86 I HD1 . 16206 1 983 . 1 1 86 86 ILE HD12 H 1 0.61 . . . . . . . 86 I HD1 . 16206 1 984 . 1 1 86 86 ILE HD13 H 1 0.61 . . . . . . . 86 I HD1 . 16206 1 985 . 1 1 86 86 ILE HG12 H 1 1.57 . . . . . . . 86 I HG12 . 16206 1 986 . 1 1 86 86 ILE HG13 H 1 0.77 . . . . . . . 86 I HG13 . 16206 1 987 . 1 1 86 86 ILE HG21 H 1 0.42 . . . . . . . 86 I HG2 . 16206 1 988 . 1 1 86 86 ILE HG22 H 1 0.42 . . . . . . . 86 I HG2 . 16206 1 989 . 1 1 86 86 ILE HG23 H 1 0.42 . . . . . . . 86 I HG2 . 16206 1 990 . 1 1 86 86 ILE C C 13 177.09 . . . . . . . 86 I C . 16206 1 991 . 1 1 86 86 ILE CA C 13 64.03 . . . . . . . 86 I CA . 16206 1 992 . 1 1 86 86 ILE CB C 13 38.63 . . . . . . . 86 I CB . 16206 1 993 . 1 1 86 86 ILE CD1 C 13 14.26 . . . . . . . 86 I CD1 . 16206 1 994 . 1 1 86 86 ILE CG1 C 13 28.74 . . . . . . . 86 I CG1 . 16206 1 995 . 1 1 86 86 ILE CG2 C 13 17.38 . . . . . . . 86 I CG2 . 16206 1 996 . 1 1 86 86 ILE N N 15 121.85 . . . . . . . 86 I N . 16206 1 997 . 1 1 87 87 MET H H 1 7.59 . . . . . . . 87 M HN . 16206 1 998 . 1 1 87 87 MET HA H 1 3.94 . . . . . . . 87 M HA . 16206 1 999 . 1 1 87 87 MET HB2 H 1 1.84 . . . . . . . 87 M HB1 . 16206 1 1000 . 1 1 87 87 MET HB3 H 1 1.59 . . . . . . . 87 M HB2 . 16206 1 1001 . 1 1 87 87 MET HG2 H 1 2.2 . . . . . . . 87 M HG1 . 16206 1 1002 . 1 1 87 87 MET HG3 H 1 2.1 . . . . . . . 87 M HG2 . 16206 1 1003 . 1 1 87 87 MET C C 13 176.12 . . . . . . . 87 M C . 16206 1 1004 . 1 1 87 87 MET CA C 13 57.03 . . . . . . . 87 M CA . 16206 1 1005 . 1 1 87 87 MET CB C 13 32.69 . . . . . . . 87 M CB . 16206 1 1006 . 1 1 87 87 MET CE C 13 16.12 . . . . . . . 87 M CE . 16206 1 1007 . 1 1 87 87 MET CG C 13 32.25 . . . . . . . 87 M CG . 16206 1 1008 . 1 1 87 87 MET N N 15 115.71 . . . . . . . 87 M N . 16206 1 1009 . 1 1 88 88 GLN H H 1 7.45 . . . . . . . 88 Q HN . 16206 1 1010 . 1 1 88 88 GLN HA H 1 4.12 . . . . . . . 88 Q HA . 16206 1 1011 . 1 1 88 88 GLN HB2 H 1 1.98 . . . . . . . 88 Q HB1 . 16206 1 1012 . 1 1 88 88 GLN HB3 H 1 1.88 . . . . . . . 88 Q HB2 . 16206 1 1013 . 1 1 88 88 GLN HE21 H 1 7.36 . . . . . . . 88 Q HE1 . 16206 1 1014 . 1 1 88 88 GLN HE22 H 1 6.68 . . . . . . . 88 Q HE2 . 16206 1 1015 . 1 1 88 88 GLN HG2 H 1 2.20 . . . . . . . 88 Q HG1 . 16206 1 1016 . 1 1 88 88 GLN HG3 H 1 2.20 . . . . . . . 88 Q HG2 . 16206 1 1017 . 1 1 88 88 GLN C C 13 174.76 . . . . . . . 88 Q C . 16206 1 1018 . 1 1 88 88 GLN CA C 13 56.03 . . . . . . . 88 Q CA . 16206 1 1019 . 1 1 88 88 GLN CB C 13 28.61 . . . . . . . 88 Q CB . 16206 1 1020 . 1 1 88 88 GLN CG C 13 33.71 . . . . . . . 88 Q CG . 16206 1 1021 . 1 1 88 88 GLN N N 15 118.51 . . . . . . . 88 Q N . 16206 1 1022 . 1 1 88 88 GLN NE2 N 15 112.04 . . . . . . . 88 Q NE2 . 16206 1 1023 . 1 1 89 89 HIS H H 1 7.62 . . . . . . . 89 H HN . 16206 1 1024 . 1 1 89 89 HIS HA H 1 4.32 . . . . . . . 89 H HA . 16206 1 1025 . 1 1 89 89 HIS HB2 H 1 3.09 . . . . . . . 89 H HB1 . 16206 1 1026 . 1 1 89 89 HIS HB3 H 1 2.96 . . . . . . . 89 H HB2 . 16206 1 1027 . 1 1 89 89 HIS C C 13 179.49 . . . . . . . 89 H C . 16206 1 1028 . 1 1 89 89 HIS CA C 13 57.50 . . . . . . . 89 H CA . 16206 1 1029 . 1 1 89 89 HIS CB C 13 30.46 . . . . . . . 89 H CB . 16206 1 1030 . 1 1 89 89 HIS N N 15 125.17 . . . . . . . 89 H N . 16206 1 stop_ save_