data_11540 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11540 _Entry.Title ; Solution structure of esf3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-05 _Entry.Accession_date 2013-11-06 _Entry.Last_release_date 2014-04-22 _Entry.Original_release_date 2014-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Yoshitaka Umetsu . . . 11540 2 Masashi Mori . . . 11540 3 Shinya Ohki . . . 11540 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11540 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Plant peptide hormone' . 11540 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11540 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 177 11540 '15N chemical shifts' 68 11540 '1H chemical shifts' 421 11540 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-04-22 2013-11-05 original author . 11540 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11540 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24723605 _Citation.Full_citation . _Citation.Title 'Central cell-derived peptides regulate early embryo patterning in flowering plants' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 344 _Citation.Journal_issue 6180 _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 168 _Citation.Page_last 172 _Citation.Year 2014 _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 Liliana Costa . M. . 11540 1 2 Eleanor Marshall . . . 11540 1 3 Mesfin Tesfaye . . . 11540 1 4 Kevin Silverstein . A.T. . 11540 1 5 Masashi Mori . . . 11540 1 6 Yoshitaka Umetsu . . . 11540 1 7 Sophie Otterbach . L. . 11540 1 8 Ranjith Papareddy . . . 11540 1 9 Hugh Dickinson . G. . 11540 1 10 Kim Boutiller . . . 11540 1 11 Kathryn VandenBosch . A. . 11540 1 12 Shinya Ohki . . . 11540 1 13 Jose Gutierrez-Marcos . F. . 11540 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11540 _Assembly.ID 1 _Assembly.Name esf3 _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 entity 1 $entity A . yes native no no . . . 11540 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RU1 . . . . 'Structure from this entry' . 11540 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11540 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPEKMEVKEIGRSSKIILPA CMHETCSGGFSLKNDCWCCL RLKTKQARCWKEKEFPNAKE LCFANCPPLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7976.471 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RU1 . "Solution Structure Of Esf3" . . . . . 100.00 70 100.00 100.00 5.12e-42 . . . . 11540 1 2 no GB AEE28633 . "uncharacterized protein AT1G10717 [Arabidopsis thaliana]" . . . . . 97.14 90 100.00 100.00 1.09e-40 . . . . 11540 1 3 no REF NP_001077509 . "uncharacterized protein [Arabidopsis thaliana]" . . . . . 97.14 90 100.00 100.00 1.09e-40 . . . . 11540 1 4 no SP A8MQA5 . "RecName: Full=EMBRYO SURROUNDING FACTOR 1.3; AltName: Full=Maternally expressed family protein 1.3; AltName: Full=Maternally ex" . . . . . 97.14 90 100.00 100.00 1.09e-40 . . . . 11540 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 11540 1 2 2 PRO . 11540 1 3 3 GLU . 11540 1 4 4 LYS . 11540 1 5 5 MET . 11540 1 6 6 GLU . 11540 1 7 7 VAL . 11540 1 8 8 LYS . 11540 1 9 9 GLU . 11540 1 10 10 ILE . 11540 1 11 11 GLY . 11540 1 12 12 ARG . 11540 1 13 13 SER . 11540 1 14 14 SER . 11540 1 15 15 LYS . 11540 1 16 16 ILE . 11540 1 17 17 ILE . 11540 1 18 18 LEU . 11540 1 19 19 PRO . 11540 1 20 20 ALA . 11540 1 21 21 CYS . 11540 1 22 22 MET . 11540 1 23 23 HIS . 11540 1 24 24 GLU . 11540 1 25 25 THR . 11540 1 26 26 CYS . 11540 1 27 27 SER . 11540 1 28 28 GLY . 11540 1 29 29 GLY . 11540 1 30 30 PHE . 11540 1 31 31 SER . 11540 1 32 32 LEU . 11540 1 33 33 LYS . 11540 1 34 34 ASN . 11540 1 35 35 ASP . 11540 1 36 36 CYS . 11540 1 37 37 TRP . 11540 1 38 38 CYS . 11540 1 39 39 CYS . 11540 1 40 40 LEU . 11540 1 41 41 ARG . 11540 1 42 42 LEU . 11540 1 43 43 LYS . 11540 1 44 44 THR . 11540 1 45 45 LYS . 11540 1 46 46 GLN . 11540 1 47 47 ALA . 11540 1 48 48 ARG . 11540 1 49 49 CYS . 11540 1 50 50 TRP . 11540 1 51 51 LYS . 11540 1 52 52 GLU . 11540 1 53 53 LYS . 11540 1 54 54 GLU . 11540 1 55 55 PHE . 11540 1 56 56 PRO . 11540 1 57 57 ASN . 11540 1 58 58 ALA . 11540 1 59 59 LYS . 11540 1 60 60 GLU . 11540 1 61 61 LEU . 11540 1 62 62 CYS . 11540 1 63 63 PHE . 11540 1 64 64 ALA . 11540 1 65 65 ASN . 11540 1 66 66 CYS . 11540 1 67 67 PRO . 11540 1 68 68 PRO . 11540 1 69 69 LEU . 11540 1 70 70 GLU . 11540 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 11540 1 . PRO 2 2 11540 1 . GLU 3 3 11540 1 . LYS 4 4 11540 1 . MET 5 5 11540 1 . GLU 6 6 11540 1 . VAL 7 7 11540 1 . LYS 8 8 11540 1 . GLU 9 9 11540 1 . ILE 10 10 11540 1 . GLY 11 11 11540 1 . ARG 12 12 11540 1 . SER 13 13 11540 1 . SER 14 14 11540 1 . LYS 15 15 11540 1 . ILE 16 16 11540 1 . ILE 17 17 11540 1 . LEU 18 18 11540 1 . PRO 19 19 11540 1 . ALA 20 20 11540 1 . CYS 21 21 11540 1 . MET 22 22 11540 1 . HIS 23 23 11540 1 . GLU 24 24 11540 1 . THR 25 25 11540 1 . CYS 26 26 11540 1 . SER 27 27 11540 1 . GLY 28 28 11540 1 . GLY 29 29 11540 1 . PHE 30 30 11540 1 . SER 31 31 11540 1 . LEU 32 32 11540 1 . LYS 33 33 11540 1 . ASN 34 34 11540 1 . ASP 35 35 11540 1 . CYS 36 36 11540 1 . TRP 37 37 11540 1 . CYS 38 38 11540 1 . CYS 39 39 11540 1 . LEU 40 40 11540 1 . ARG 41 41 11540 1 . LEU 42 42 11540 1 . LYS 43 43 11540 1 . THR 44 44 11540 1 . LYS 45 45 11540 1 . GLN 46 46 11540 1 . ALA 47 47 11540 1 . ARG 48 48 11540 1 . CYS 49 49 11540 1 . TRP 50 50 11540 1 . LYS 51 51 11540 1 . GLU 52 52 11540 1 . LYS 53 53 11540 1 . GLU 54 54 11540 1 . PHE 55 55 11540 1 . PRO 56 56 11540 1 . ASN 57 57 11540 1 . ALA 58 58 11540 1 . LYS 59 59 11540 1 . GLU 60 60 11540 1 . LEU 61 61 11540 1 . CYS 62 62 11540 1 . PHE 63 63 11540 1 . ALA 64 64 11540 1 . ASN 65 65 11540 1 . CYS 66 66 11540 1 . PRO 67 67 11540 1 . PRO 68 68 11540 1 . LEU 69 69 11540 1 . GLU 70 70 11540 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 11540 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 11540 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 11540 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'TOMATO MOSAIC VIRUS' . . . . . . BY-2 . . . . . . . . . . . 'ESTRADIOL INDUCIBLE TOMATO-MOSAIC-VIRUS-BASED VECTOR' . . PBICER8-C0.3-HUIFN-G-SRZ . . . . . . 11540 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11540 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 1 . . mM . . . . 11540 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11540 1 3 'potassium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11540 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11540 1 5 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11540 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11540 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 1 . . mM . . . . 11540 2 2 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11540 2 3 'potassium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11540 2 4 D2O 'natural abundance' . . . . . solvent 100 . . % . . . . 11540 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 11540 _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' 100 . mM 11540 1 pH 5.8 . pH 11540 1 pressure 1 . atm 11540 1 temperature 298 . K 11540 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11540 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11540 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11540 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11540 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11540 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11540 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11540 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11540 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11540 3 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 11540 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11540 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11540 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 11540 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11540 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 11540 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11540 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11540 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11540 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 11540 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11540 1 8 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11540 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 PRO HA H 1 4.479 . . 1 . . . A 2 PRO HA . 11540 1 2 . 1 1 2 2 PRO HB2 H 1 2.297 . . 2 . . . A 2 PRO HB2 . 11540 1 3 . 1 1 2 2 PRO HB3 H 1 1.969 . . 2 . . . A 2 PRO HB3 . 11540 1 4 . 1 1 2 2 PRO HG2 H 1 2.028 . . 2 . . . A 2 PRO HG2 . 11540 1 5 . 1 1 2 2 PRO HG3 H 1 2.028 . . 2 . . . A 2 PRO HG3 . 11540 1 6 . 1 1 2 2 PRO HD2 H 1 3.630 . . 2 . . . A 2 PRO HD2 . 11540 1 7 . 1 1 2 2 PRO HD3 H 1 3.576 . . 2 . . . A 2 PRO HD3 . 11540 1 8 . 1 1 2 2 PRO CA C 13 63.196 . . 1 . . . A 2 PRO CA . 11540 1 9 . 1 1 2 2 PRO CB C 13 32.166 . . 1 . . . A 2 PRO CB . 11540 1 10 . 1 1 2 2 PRO CG C 13 26.989 . . 1 . . . A 2 PRO CG . 11540 1 11 . 1 1 2 2 PRO CD C 13 49.666 . . 1 . . . A 2 PRO CD . 11540 1 12 . 1 1 3 3 GLU H H 1 8.638 . . 1 . . . A 3 GLU H . 11540 1 13 . 1 1 3 3 GLU HA H 1 4.333 . . 1 . . . A 3 GLU HA . 11540 1 14 . 1 1 3 3 GLU HB2 H 1 2.060 . . 2 . . . A 3 GLU HB2 . 11540 1 15 . 1 1 3 3 GLU HB3 H 1 1.971 . . 2 . . . A 3 GLU HB3 . 11540 1 16 . 1 1 3 3 GLU HG2 H 1 2.388 . . 2 . . . A 3 GLU HG2 . 11540 1 17 . 1 1 3 3 GLU HG3 H 1 2.388 . . 2 . . . A 3 GLU HG3 . 11540 1 18 . 1 1 3 3 GLU CA C 13 55.982 . . 1 . . . A 3 GLU CA . 11540 1 19 . 1 1 3 3 GLU CB C 13 29.684 . . 1 . . . A 3 GLU CB . 11540 1 20 . 1 1 3 3 GLU CG C 13 33.961 . . 1 . . . A 3 GLU CG . 11540 1 21 . 1 1 3 3 GLU N N 15 121.397 . . 1 . . . A 3 GLU N . 11540 1 22 . 1 1 4 4 LYS H H 1 8.378 . . 1 . . . A 4 LYS H . 11540 1 23 . 1 1 4 4 LYS N N 15 122.826 . . 1 . . . A 4 LYS N . 11540 1 24 . 1 1 7 7 VAL H H 1 8.203 . . 1 . . . A 7 VAL H . 11540 1 25 . 1 1 7 7 VAL HA H 1 4.092 . . 1 . . . A 7 VAL HA . 11540 1 26 . 1 1 7 7 VAL HB H 1 2.072 . . 1 . . . A 7 VAL HB . 11540 1 27 . 1 1 7 7 VAL HG11 H 1 0.953 . . 2 . . . A 7 VAL HG11 . 11540 1 28 . 1 1 7 7 VAL HG12 H 1 0.953 . . 2 . . . A 7 VAL HG12 . 11540 1 29 . 1 1 7 7 VAL HG13 H 1 0.953 . . 2 . . . A 7 VAL HG13 . 11540 1 30 . 1 1 7 7 VAL HG21 H 1 0.931 . . 2 . . . A 7 VAL HG21 . 11540 1 31 . 1 1 7 7 VAL HG22 H 1 0.931 . . 2 . . . A 7 VAL HG22 . 11540 1 32 . 1 1 7 7 VAL HG23 H 1 0.931 . . 2 . . . A 7 VAL HG23 . 11540 1 33 . 1 1 7 7 VAL CA C 13 62.287 . . 1 . . . A 7 VAL CA . 11540 1 34 . 1 1 7 7 VAL CB C 13 32.773 . . 1 . . . A 7 VAL CB . 11540 1 35 . 1 1 7 7 VAL CG1 C 13 20.650 . . 2 . . . A 7 VAL CG1 . 11540 1 36 . 1 1 7 7 VAL CG2 C 13 21.186 . . 2 . . . A 7 VAL CG2 . 11540 1 37 . 1 1 7 7 VAL N N 15 125.549 . . 1 . . . A 7 VAL N . 11540 1 38 . 1 1 8 8 LYS H H 1 8.389 . . 1 . . . A 8 LYS H . 11540 1 39 . 1 1 8 8 LYS HA H 1 4.341 . . 1 . . . A 8 LYS HA . 11540 1 40 . 1 1 8 8 LYS CA C 13 56.376 . . 1 . . . A 8 LYS CA . 11540 1 41 . 1 1 8 8 LYS N N 15 125.232 . . 1 . . . A 8 LYS N . 11540 1 42 . 1 1 9 9 GLU H H 1 8.241 . . 1 . . . A 9 GLU H . 11540 1 43 . 1 1 9 9 GLU HA H 1 4.368 . . 1 . . . A 9 GLU HA . 11540 1 44 . 1 1 9 9 GLU HB2 H 1 2.046 . . 2 . . . A 9 GLU HB2 . 11540 1 45 . 1 1 9 9 GLU HB3 H 1 1.947 . . 2 . . . A 9 GLU HB3 . 11540 1 46 . 1 1 9 9 GLU HG2 H 1 2.346 . . 2 . . . A 9 GLU HG2 . 11540 1 47 . 1 1 9 9 GLU HG3 H 1 2.346 . . 2 . . . A 9 GLU HG3 . 11540 1 48 . 1 1 9 9 GLU CA C 13 55.989 . . 1 . . . A 9 GLU CA . 11540 1 49 . 1 1 9 9 GLU CB C 13 29.459 . . 1 . . . A 9 GLU CB . 11540 1 50 . 1 1 9 9 GLU CG C 13 34.216 . . 1 . . . A 9 GLU CG . 11540 1 51 . 1 1 9 9 GLU N N 15 122.438 . . 1 . . . A 9 GLU N . 11540 1 52 . 1 1 10 10 ILE H H 1 8.247 . . 1 . . . A 10 ILE H . 11540 1 53 . 1 1 10 10 ILE HA H 1 4.165 . . 1 . . . A 10 ILE HA . 11540 1 54 . 1 1 10 10 ILE HB H 1 1.888 . . 1 . . . A 10 ILE HB . 11540 1 55 . 1 1 10 10 ILE HG12 H 1 1.506 . . 2 . . . A 10 ILE HG12 . 11540 1 56 . 1 1 10 10 ILE HG13 H 1 1.213 . . 2 . . . A 10 ILE HG13 . 11540 1 57 . 1 1 10 10 ILE HG21 H 1 0.931 . . 1 . . . A 10 ILE HG21 . 11540 1 58 . 1 1 10 10 ILE HG22 H 1 0.931 . . 1 . . . A 10 ILE HG22 . 11540 1 59 . 1 1 10 10 ILE HG23 H 1 0.931 . . 1 . . . A 10 ILE HG23 . 11540 1 60 . 1 1 10 10 ILE HD11 H 1 0.877 . . 1 . . . A 10 ILE HD11 . 11540 1 61 . 1 1 10 10 ILE HD12 H 1 0.877 . . 1 . . . A 10 ILE HD12 . 11540 1 62 . 1 1 10 10 ILE HD13 H 1 0.877 . . 1 . . . A 10 ILE HD13 . 11540 1 63 . 1 1 10 10 ILE CA C 13 61.349 . . 1 . . . A 10 ILE CA . 11540 1 64 . 1 1 10 10 ILE CB C 13 38.681 . . 1 . . . A 10 ILE CB . 11540 1 65 . 1 1 10 10 ILE CG1 C 13 27.314 . . 1 . . . A 10 ILE CG1 . 11540 1 66 . 1 1 10 10 ILE CG2 C 13 17.462 . . 1 . . . A 10 ILE CG2 . 11540 1 67 . 1 1 10 10 ILE CD1 C 13 12.971 . . 1 . . . A 10 ILE CD1 . 11540 1 68 . 1 1 10 10 ILE N N 15 122.664 . . 1 . . . A 10 ILE N . 11540 1 69 . 1 1 11 11 GLY H H 1 8.512 . . 1 . . . A 11 GLY H . 11540 1 70 . 1 1 11 11 GLY HA2 H 1 3.968 . . 2 . . . A 11 GLY HA2 . 11540 1 71 . 1 1 11 11 GLY HA3 H 1 3.968 . . 2 . . . A 11 GLY HA3 . 11540 1 72 . 1 1 11 11 GLY CA C 13 45.238 . . 1 . . . A 11 GLY CA . 11540 1 73 . 1 1 11 11 GLY N N 15 112.786 . . 1 . . . A 11 GLY N . 11540 1 74 . 1 1 12 12 ARG H H 1 8.214 . . 1 . . . A 12 ARG H . 11540 1 75 . 1 1 12 12 ARG HA H 1 4.400 . . 1 . . . A 12 ARG HA . 11540 1 76 . 1 1 12 12 ARG HB2 H 1 1.911 . . 2 . . . A 12 ARG HB2 . 11540 1 77 . 1 1 12 12 ARG HB3 H 1 1.784 . . 2 . . . A 12 ARG HB3 . 11540 1 78 . 1 1 12 12 ARG HG2 H 1 1.665 . . 2 . . . A 12 ARG HG2 . 11540 1 79 . 1 1 12 12 ARG HG3 H 1 1.665 . . 2 . . . A 12 ARG HG3 . 11540 1 80 . 1 1 12 12 ARG HD2 H 1 3.213 . . 2 . . . A 12 ARG HD2 . 11540 1 81 . 1 1 12 12 ARG HD3 H 1 3.213 . . 2 . . . A 12 ARG HD3 . 11540 1 82 . 1 1 12 12 ARG CA C 13 56.057 . . 1 . . . A 12 ARG CA . 11540 1 83 . 1 1 12 12 ARG CB C 13 30.897 . . 1 . . . A 12 ARG CB . 11540 1 84 . 1 1 12 12 ARG CG C 13 26.971 . . 1 . . . A 12 ARG CG . 11540 1 85 . 1 1 12 12 ARG CD C 13 43.221 . . 1 . . . A 12 ARG CD . 11540 1 86 . 1 1 12 12 ARG N N 15 120.768 . . 1 . . . A 12 ARG N . 11540 1 87 . 1 1 13 13 SER H H 1 8.419 . . 1 . . . A 13 SER H . 11540 1 88 . 1 1 13 13 SER HA H 1 4.510 . . 1 . . . A 13 SER HA . 11540 1 89 . 1 1 13 13 SER HB2 H 1 3.909 . . 2 . . . A 13 SER HB2 . 11540 1 90 . 1 1 13 13 SER HB3 H 1 3.909 . . 2 . . . A 13 SER HB3 . 11540 1 91 . 1 1 13 13 SER CA C 13 58.235 . . 1 . . . A 13 SER CA . 11540 1 92 . 1 1 13 13 SER CB C 13 63.779 . . 1 . . . A 13 SER CB . 11540 1 93 . 1 1 13 13 SER N N 15 117.009 . . 1 . . . A 13 SER N . 11540 1 94 . 1 1 14 14 SER H H 1 8.357 . . 1 . . . A 14 SER H . 11540 1 95 . 1 1 14 14 SER HA H 1 4.476 . . 1 . . . A 14 SER HA . 11540 1 96 . 1 1 14 14 SER HB2 H 1 3.873 . . 2 . . . A 14 SER HB2 . 11540 1 97 . 1 1 14 14 SER HB3 H 1 3.873 . . 2 . . . A 14 SER HB3 . 11540 1 98 . 1 1 14 14 SER CA C 13 58.335 . . 1 . . . A 14 SER CA . 11540 1 99 . 1 1 14 14 SER CB C 13 63.849 . . 1 . . . A 14 SER CB . 11540 1 100 . 1 1 14 14 SER N N 15 118.104 . . 1 . . . A 14 SER N . 11540 1 101 . 1 1 15 15 LYS H H 1 8.269 . . 1 . . . A 15 LYS H . 11540 1 102 . 1 1 15 15 LYS HA H 1 4.347 . . 1 . . . A 15 LYS HA . 11540 1 103 . 1 1 15 15 LYS HB2 H 1 1.813 . . 2 . . . A 15 LYS HB2 . 11540 1 104 . 1 1 15 15 LYS HB3 H 1 1.746 . . 2 . . . A 15 LYS HB3 . 11540 1 105 . 1 1 15 15 LYS HG2 H 1 1.410 . . 2 . . . A 15 LYS HG2 . 11540 1 106 . 1 1 15 15 LYS HG3 H 1 1.410 . . 2 . . . A 15 LYS HG3 . 11540 1 107 . 1 1 15 15 LYS HD2 H 1 1.712 . . 2 . . . A 15 LYS HD2 . 11540 1 108 . 1 1 15 15 LYS HD3 H 1 1.712 . . 2 . . . A 15 LYS HD3 . 11540 1 109 . 1 1 15 15 LYS HE2 H 1 2.997 . . 2 . . . A 15 LYS HE2 . 11540 1 110 . 1 1 15 15 LYS HE3 H 1 2.997 . . 2 . . . A 15 LYS HE3 . 11540 1 111 . 1 1 15 15 LYS CA C 13 56.150 . . 1 . . . A 15 LYS CA . 11540 1 112 . 1 1 15 15 LYS CB C 13 33.130 . . 1 . . . A 15 LYS CB . 11540 1 113 . 1 1 15 15 LYS CG C 13 24.763 . . 1 . . . A 15 LYS CG . 11540 1 114 . 1 1 15 15 LYS CD C 13 29.025 . . 1 . . . A 15 LYS CD . 11540 1 115 . 1 1 15 15 LYS CE C 13 42.039 . . 1 . . . A 15 LYS CE . 11540 1 116 . 1 1 15 15 LYS N N 15 123.157 . . 1 . . . A 15 LYS N . 11540 1 117 . 1 1 16 16 ILE H H 1 8.134 . . 1 . . . A 16 ILE H . 11540 1 118 . 1 1 16 16 ILE HA H 1 4.156 . . 1 . . . A 16 ILE HA . 11540 1 119 . 1 1 16 16 ILE HB H 1 1.827 . . 1 . . . A 16 ILE HB . 11540 1 120 . 1 1 16 16 ILE HG12 H 1 1.479 . . 2 . . . A 16 ILE HG12 . 11540 1 121 . 1 1 16 16 ILE HG13 H 1 1.185 . . 2 . . . A 16 ILE HG13 . 11540 1 122 . 1 1 16 16 ILE HG21 H 1 0.884 . . 1 . . . A 16 ILE HG21 . 11540 1 123 . 1 1 16 16 ILE HG22 H 1 0.884 . . 1 . . . A 16 ILE HG22 . 11540 1 124 . 1 1 16 16 ILE HG23 H 1 0.884 . . 1 . . . A 16 ILE HG23 . 11540 1 125 . 1 1 16 16 ILE HD11 H 1 0.865 . . 1 . . . A 16 ILE HD11 . 11540 1 126 . 1 1 16 16 ILE HD12 H 1 0.865 . . 1 . . . A 16 ILE HD12 . 11540 1 127 . 1 1 16 16 ILE HD13 H 1 0.865 . . 1 . . . A 16 ILE HD13 . 11540 1 128 . 1 1 16 16 ILE CA C 13 60.808 . . 1 . . . A 16 ILE CA . 11540 1 129 . 1 1 16 16 ILE CB C 13 38.600 . . 1 . . . A 16 ILE CB . 11540 1 130 . 1 1 16 16 ILE CG1 C 13 27.332 . . 1 . . . A 16 ILE CG1 . 11540 1 131 . 1 1 16 16 ILE CG2 C 13 17.470 . . 1 . . . A 16 ILE CG2 . 11540 1 132 . 1 1 16 16 ILE CD1 C 13 12.752 . . 1 . . . A 16 ILE CD1 . 11540 1 133 . 1 1 16 16 ILE N N 15 122.913 . . 1 . . . A 16 ILE N . 11540 1 134 . 1 1 17 17 ILE H H 1 8.335 . . 1 . . . A 17 ILE H . 11540 1 135 . 1 1 17 17 ILE HA H 1 4.802 . . 1 . . . A 17 ILE HA . 11540 1 136 . 1 1 17 17 ILE HB H 1 1.843 . . 1 . . . A 17 ILE HB . 11540 1 137 . 1 1 17 17 ILE HG12 H 1 1.480 . . 2 . . . A 17 ILE HG12 . 11540 1 138 . 1 1 17 17 ILE HG13 H 1 1.183 . . 2 . . . A 17 ILE HG13 . 11540 1 139 . 1 1 17 17 ILE HG21 H 1 0.839 . . 1 . . . A 17 ILE HG21 . 11540 1 140 . 1 1 17 17 ILE HG22 H 1 0.839 . . 1 . . . A 17 ILE HG22 . 11540 1 141 . 1 1 17 17 ILE HG23 H 1 0.839 . . 1 . . . A 17 ILE HG23 . 11540 1 142 . 1 1 17 17 ILE HD11 H 1 0.868 . . 1 . . . A 17 ILE HD11 . 11540 1 143 . 1 1 17 17 ILE HD12 H 1 0.868 . . 1 . . . A 17 ILE HD12 . 11540 1 144 . 1 1 17 17 ILE HD13 H 1 0.868 . . 1 . . . A 17 ILE HD13 . 11540 1 145 . 1 1 17 17 ILE CA C 13 58.359 . . 1 . . . A 17 ILE CA . 11540 1 146 . 1 1 17 17 ILE CB C 13 38.379 . . 1 . . . A 17 ILE CB . 11540 1 147 . 1 1 17 17 ILE CG1 C 13 27.071 . . 1 . . . A 17 ILE CG1 . 11540 1 148 . 1 1 17 17 ILE CG2 C 13 17.356 . . 1 . . . A 17 ILE CG2 . 11540 1 149 . 1 1 17 17 ILE CD1 C 13 12.525 . . 1 . . . A 17 ILE CD1 . 11540 1 150 . 1 1 17 17 ILE N N 15 127.022 . . 1 . . . A 17 ILE N . 11540 1 151 . 1 1 18 18 LEU H H 1 8.374 . . 1 . . . A 18 LEU H . 11540 1 152 . 1 1 18 18 LEU HA H 1 4.981 . . 1 . . . A 18 LEU HA . 11540 1 153 . 1 1 18 18 LEU HB2 H 1 1.628 . . 2 . . . A 18 LEU HB2 . 11540 1 154 . 1 1 18 18 LEU HB3 H 1 1.560 . . 2 . . . A 18 LEU HB3 . 11540 1 155 . 1 1 18 18 LEU HG H 1 1.685 . . 1 . . . A 18 LEU HG . 11540 1 156 . 1 1 18 18 LEU HD11 H 1 0.962 . . 2 . . . A 18 LEU HD11 . 11540 1 157 . 1 1 18 18 LEU HD12 H 1 0.962 . . 2 . . . A 18 LEU HD12 . 11540 1 158 . 1 1 18 18 LEU HD13 H 1 0.962 . . 2 . . . A 18 LEU HD13 . 11540 1 159 . 1 1 18 18 LEU HD21 H 1 0.908 . . 2 . . . A 18 LEU HD21 . 11540 1 160 . 1 1 18 18 LEU HD22 H 1 0.908 . . 2 . . . A 18 LEU HD22 . 11540 1 161 . 1 1 18 18 LEU HD23 H 1 0.908 . . 2 . . . A 18 LEU HD23 . 11540 1 162 . 1 1 18 18 LEU CA C 13 51.707 . . 1 . . . A 18 LEU CA . 11540 1 163 . 1 1 18 18 LEU CB C 13 42.047 . . 1 . . . A 18 LEU CB . 11540 1 164 . 1 1 18 18 LEU CG C 13 27.025 . . 1 . . . A 18 LEU CG . 11540 1 165 . 1 1 18 18 LEU CD1 C 13 25.289 . . 2 . . . A 18 LEU CD1 . 11540 1 166 . 1 1 18 18 LEU CD2 C 13 23.248 . . 2 . . . A 18 LEU CD2 . 11540 1 167 . 1 1 18 18 LEU N N 15 129.045 . . 1 . . . A 18 LEU N . 11540 1 168 . 1 1 20 20 ALA H H 1 7.915 . . 1 . . . A 20 ALA H . 11540 1 169 . 1 1 20 20 ALA HA H 1 4.521 . . 1 . . . A 20 ALA HA . 11540 1 170 . 1 1 20 20 ALA HB1 H 1 1.614 . . 1 . . . A 20 ALA HB1 . 11540 1 171 . 1 1 20 20 ALA HB2 H 1 1.614 . . 1 . . . A 20 ALA HB2 . 11540 1 172 . 1 1 20 20 ALA HB3 H 1 1.614 . . 1 . . . A 20 ALA HB3 . 11540 1 173 . 1 1 20 20 ALA CA C 13 50.013 . . 1 . . . A 20 ALA CA . 11540 1 174 . 1 1 20 20 ALA CB C 13 16.314 . . 1 . . . A 20 ALA CB . 11540 1 175 . 1 1 20 20 ALA N N 15 125.536 . . 1 . . . A 20 ALA N . 11540 1 176 . 1 1 21 21 CYS H H 1 8.718 . . 1 . . . A 21 CYS H . 11540 1 177 . 1 1 21 21 CYS HA H 1 4.681 . . 1 . . . A 21 CYS HA . 11540 1 178 . 1 1 21 21 CYS HB2 H 1 2.952 . . 2 . . . A 21 CYS HB2 . 11540 1 179 . 1 1 21 21 CYS HB3 H 1 2.952 . . 2 . . . A 21 CYS HB3 . 11540 1 180 . 1 1 21 21 CYS CA C 13 57.318 . . 1 . . . A 21 CYS CA . 11540 1 181 . 1 1 21 21 CYS CB C 13 48.486 . . 1 . . . A 21 CYS CB . 11540 1 182 . 1 1 21 21 CYS N N 15 121.066 . . 1 . . . A 21 CYS N . 11540 1 183 . 1 1 22 22 MET H H 1 8.804 . . 1 . . . A 22 MET H . 11540 1 184 . 1 1 22 22 MET HA H 1 4.898 . . 1 . . . A 22 MET HA . 11540 1 185 . 1 1 22 22 MET HB2 H 1 2.055 . . 2 . . . A 22 MET HB2 . 11540 1 186 . 1 1 22 22 MET HB3 H 1 1.948 . . 2 . . . A 22 MET HB3 . 11540 1 187 . 1 1 22 22 MET HG2 H 1 2.555 . . 2 . . . A 22 MET HG2 . 11540 1 188 . 1 1 22 22 MET HG3 H 1 2.508 . . 2 . . . A 22 MET HG3 . 11540 1 189 . 1 1 22 22 MET CA C 13 53.519 . . 1 . . . A 22 MET CA . 11540 1 190 . 1 1 22 22 MET CB C 13 36.391 . . 1 . . . A 22 MET CB . 11540 1 191 . 1 1 22 22 MET CG C 13 32.264 . . 1 . . . A 22 MET CG . 11540 1 192 . 1 1 22 22 MET N N 15 120.610 . . 1 . . . A 22 MET N . 11540 1 193 . 1 1 23 23 HIS H H 1 8.782 . . 1 . . . A 23 HIS H . 11540 1 194 . 1 1 23 23 HIS HA H 1 4.093 . . 1 . . . A 23 HIS HA . 11540 1 195 . 1 1 23 23 HIS HB2 H 1 2.827 . . 2 . . . A 23 HIS HB2 . 11540 1 196 . 1 1 23 23 HIS HB3 H 1 1.541 . . 2 . . . A 23 HIS HB3 . 11540 1 197 . 1 1 23 23 HIS HD2 H 1 7.267 . . 1 . . . A 23 HIS HD2 . 11540 1 198 . 1 1 23 23 HIS CA C 13 52.681 . . 1 . . . A 23 HIS CA . 11540 1 199 . 1 1 23 23 HIS CB C 13 28.136 . . 1 . . . A 23 HIS CB . 11540 1 200 . 1 1 23 23 HIS N N 15 127.840 . . 1 . . . A 23 HIS N . 11540 1 201 . 1 1 24 24 GLU H H 1 8.677 . . 1 . . . A 24 GLU H . 11540 1 202 . 1 1 24 24 GLU HA H 1 4.699 . . 1 . . . A 24 GLU HA . 11540 1 203 . 1 1 24 24 GLU HB2 H 1 2.148 . . 2 . . . A 24 GLU HB2 . 11540 1 204 . 1 1 24 24 GLU HB3 H 1 1.825 . . 2 . . . A 24 GLU HB3 . 11540 1 205 . 1 1 24 24 GLU HG2 H 1 2.110 . . 2 . . . A 24 GLU HG2 . 11540 1 206 . 1 1 24 24 GLU HG3 H 1 2.110 . . 2 . . . A 24 GLU HG3 . 11540 1 207 . 1 1 24 24 GLU CA C 13 54.487 . . 1 . . . A 24 GLU CA . 11540 1 208 . 1 1 24 24 GLU CB C 13 32.546 . . 1 . . . A 24 GLU CB . 11540 1 209 . 1 1 24 24 GLU CG C 13 29.117 . . 1 . . . A 24 GLU CG . 11540 1 210 . 1 1 24 24 GLU N N 15 125.274 . . 1 . . . A 24 GLU N . 11540 1 211 . 1 1 25 25 THR H H 1 8.370 . . 1 . . . A 25 THR H . 11540 1 212 . 1 1 25 25 THR HA H 1 4.777 . . 1 . . . A 25 THR HA . 11540 1 213 . 1 1 25 25 THR HB H 1 4.035 . . 1 . . . A 25 THR HB . 11540 1 214 . 1 1 25 25 THR HG21 H 1 1.176 . . 1 . . . A 25 THR HG21 . 11540 1 215 . 1 1 25 25 THR HG22 H 1 1.176 . . 1 . . . A 25 THR HG22 . 11540 1 216 . 1 1 25 25 THR HG23 H 1 1.176 . . 1 . . . A 25 THR HG23 . 11540 1 217 . 1 1 25 25 THR CA C 13 61.428 . . 1 . . . A 25 THR CA . 11540 1 218 . 1 1 25 25 THR CB C 13 69.495 . . 1 . . . A 25 THR CB . 11540 1 219 . 1 1 25 25 THR CG2 C 13 21.747 . . 1 . . . A 25 THR CG2 . 11540 1 220 . 1 1 25 25 THR N N 15 115.115 . . 1 . . . A 25 THR N . 11540 1 221 . 1 1 26 26 CYS H H 1 8.370 . . 1 . . . A 26 CYS H . 11540 1 222 . 1 1 26 26 CYS HA H 1 5.963 . . 1 . . . A 26 CYS HA . 11540 1 223 . 1 1 26 26 CYS HB2 H 1 3.486 . . 2 . . . A 26 CYS HB2 . 11540 1 224 . 1 1 26 26 CYS HB3 H 1 2.891 . . 2 . . . A 26 CYS HB3 . 11540 1 225 . 1 1 26 26 CYS CA C 13 59.299 . . 1 . . . A 26 CYS CA . 11540 1 226 . 1 1 26 26 CYS CB C 13 44.932 . . 1 . . . A 26 CYS CB . 11540 1 227 . 1 1 26 26 CYS N N 15 122.154 . . 1 . . . A 26 CYS N . 11540 1 228 . 1 1 27 27 SER H H 1 8.213 . . 1 . . . A 27 SER H . 11540 1 229 . 1 1 27 27 SER HA H 1 4.684 . . 1 . . . A 27 SER HA . 11540 1 230 . 1 1 27 27 SER HB2 H 1 3.807 . . 2 . . . A 27 SER HB2 . 11540 1 231 . 1 1 27 27 SER HB3 H 1 3.753 . . 2 . . . A 27 SER HB3 . 11540 1 232 . 1 1 27 27 SER CA C 13 54.925 . . 1 . . . A 27 SER CA . 11540 1 233 . 1 1 27 27 SER CB C 13 63.778 . . 1 . . . A 27 SER CB . 11540 1 234 . 1 1 27 27 SER N N 15 115.810 . . 1 . . . A 27 SER N . 11540 1 235 . 1 1 28 28 GLY H H 1 8.399 . . 1 . . . A 28 GLY H . 11540 1 236 . 1 1 28 28 GLY HA2 H 1 3.979 . . 2 . . . A 28 GLY HA2 . 11540 1 237 . 1 1 28 28 GLY HA3 H 1 3.876 . . 2 . . . A 28 GLY HA3 . 11540 1 238 . 1 1 28 28 GLY CA C 13 45.302 . . 1 . . . A 28 GLY CA . 11540 1 239 . 1 1 28 28 GLY N N 15 110.792 . . 1 . . . A 28 GLY N . 11540 1 240 . 1 1 29 29 GLY H H 1 8.164 . . 1 . . . A 29 GLY H . 11540 1 241 . 1 1 29 29 GLY HA2 H 1 3.871 . . 2 . . . A 29 GLY HA2 . 11540 1 242 . 1 1 29 29 GLY HA3 H 1 3.871 . . 2 . . . A 29 GLY HA3 . 11540 1 243 . 1 1 29 29 GLY CA C 13 45.053 . . 1 . . . A 29 GLY CA . 11540 1 244 . 1 1 29 29 GLY N N 15 108.718 . . 1 . . . A 29 GLY N . 11540 1 245 . 1 1 30 30 PHE H H 1 8.284 . . 1 . . . A 30 PHE H . 11540 1 246 . 1 1 30 30 PHE HA H 1 4.572 . . 1 . . . A 30 PHE HA . 11540 1 247 . 1 1 30 30 PHE HB2 H 1 3.173 . . 2 . . . A 30 PHE HB2 . 11540 1 248 . 1 1 30 30 PHE HB3 H 1 3.039 . . 2 . . . A 30 PHE HB3 . 11540 1 249 . 1 1 30 30 PHE HD1 H 1 7.296 . . 3 . . . A 30 PHE HD1 . 11540 1 250 . 1 1 30 30 PHE HD2 H 1 7.296 . . 3 . . . A 30 PHE HD2 . 11540 1 251 . 1 1 30 30 PHE CA C 13 58.156 . . 1 . . . A 30 PHE CA . 11540 1 252 . 1 1 30 30 PHE CB C 13 39.162 . . 1 . . . A 30 PHE CB . 11540 1 253 . 1 1 30 30 PHE N N 15 119.797 . . 1 . . . A 30 PHE N . 11540 1 254 . 1 1 31 31 SER H H 1 7.953 . . 1 . . . A 31 SER H . 11540 1 255 . 1 1 31 31 SER HA H 1 4.352 . . 1 . . . A 31 SER HA . 11540 1 256 . 1 1 31 31 SER HB2 H 1 3.813 . . 2 . . . A 31 SER HB2 . 11540 1 257 . 1 1 31 31 SER HB3 H 1 3.755 . . 2 . . . A 31 SER HB3 . 11540 1 258 . 1 1 31 31 SER CA C 13 57.866 . . 1 . . . A 31 SER CA . 11540 1 259 . 1 1 31 31 SER CB C 13 63.802 . . 1 . . . A 31 SER CB . 11540 1 260 . 1 1 31 31 SER N N 15 116.143 . . 1 . . . A 31 SER N . 11540 1 261 . 1 1 32 32 LEU H H 1 8.278 . . 1 . . . A 32 LEU H . 11540 1 262 . 1 1 32 32 LEU HA H 1 4.272 . . 1 . . . A 32 LEU HA . 11540 1 263 . 1 1 32 32 LEU HB2 H 1 1.608 . . 2 . . . A 32 LEU HB2 . 11540 1 264 . 1 1 32 32 LEU HB3 H 1 1.187 . . 2 . . . A 32 LEU HB3 . 11540 1 265 . 1 1 32 32 LEU HD11 H 1 0.861 . . 2 . . . A 32 LEU HD11 . 11540 1 266 . 1 1 32 32 LEU HD12 H 1 0.861 . . 2 . . . A 32 LEU HD12 . 11540 1 267 . 1 1 32 32 LEU HD13 H 1 0.861 . . 2 . . . A 32 LEU HD13 . 11540 1 268 . 1 1 32 32 LEU HD21 H 1 0.861 . . 2 . . . A 32 LEU HD21 . 11540 1 269 . 1 1 32 32 LEU HD22 H 1 0.861 . . 2 . . . A 32 LEU HD22 . 11540 1 270 . 1 1 32 32 LEU HD23 H 1 0.861 . . 2 . . . A 32 LEU HD23 . 11540 1 271 . 1 1 32 32 LEU CA C 13 55.027 . . 1 . . . A 32 LEU CA . 11540 1 272 . 1 1 32 32 LEU CB C 13 42.126 . . 1 . . . A 32 LEU CB . 11540 1 273 . 1 1 32 32 LEU CD1 C 13 24.752 . . 2 . . . A 32 LEU CD1 . 11540 1 274 . 1 1 32 32 LEU CD2 C 13 23.003 . . 2 . . . A 32 LEU CD2 . 11540 1 275 . 1 1 32 32 LEU N N 15 123.215 . . 1 . . . A 32 LEU N . 11540 1 276 . 1 1 33 33 LYS H H 1 7.922 . . 1 . . . A 33 LYS H . 11540 1 277 . 1 1 33 33 LYS HA H 1 4.882 . . 1 . . . A 33 LYS HA . 11540 1 278 . 1 1 33 33 LYS HB2 H 1 1.750 . . 2 . . . A 33 LYS HB2 . 11540 1 279 . 1 1 33 33 LYS HB3 H 1 1.658 . . 2 . . . A 33 LYS HB3 . 11540 1 280 . 1 1 33 33 LYS HD2 H 1 1.363 . . 2 . . . A 33 LYS HD2 . 11540 1 281 . 1 1 33 33 LYS HD3 H 1 1.363 . . 2 . . . A 33 LYS HD3 . 11540 1 282 . 1 1 33 33 LYS HE2 H 1 2.999 . . 2 . . . A 33 LYS HE2 . 11540 1 283 . 1 1 33 33 LYS HE3 H 1 2.999 . . 2 . . . A 33 LYS HE3 . 11540 1 284 . 1 1 33 33 LYS CA C 13 51.193 . . 1 . . . A 33 LYS CA . 11540 1 285 . 1 1 33 33 LYS CB C 13 35.292 . . 1 . . . A 33 LYS CB . 11540 1 286 . 1 1 33 33 LYS CG C 13 24.462 . . 1 . . . A 33 LYS CG . 11540 1 287 . 1 1 33 33 LYS CE C 13 41.867 . . 1 . . . A 33 LYS CE . 11540 1 288 . 1 1 33 33 LYS N N 15 119.635 . . 1 . . . A 33 LYS N . 11540 1 289 . 1 1 34 34 ASN H H 1 8.315 . . 1 . . . A 34 ASN H . 11540 1 290 . 1 1 34 34 ASN HA H 1 5.411 . . 1 . . . A 34 ASN HA . 11540 1 291 . 1 1 34 34 ASN HB2 H 1 3.184 . . 2 . . . A 34 ASN HB2 . 11540 1 292 . 1 1 34 34 ASN HB3 H 1 3.184 . . 2 . . . A 34 ASN HB3 . 11540 1 293 . 1 1 34 34 ASN HD21 H 1 7.509 . . 2 . . . A 34 ASN HD21 . 11540 1 294 . 1 1 34 34 ASN HD22 H 1 6.809 . . 2 . . . A 34 ASN HD22 . 11540 1 295 . 1 1 34 34 ASN CA C 13 49.186 . . 1 . . . A 34 ASN CA . 11540 1 296 . 1 1 34 34 ASN CB C 13 38.953 . . 1 . . . A 34 ASN CB . 11540 1 297 . 1 1 34 34 ASN N N 15 120.707 . . 1 . . . A 34 ASN N . 11540 1 298 . 1 1 34 34 ASN ND2 N 15 112.250 . . 1 . . . A 34 ASN ND2 . 11540 1 299 . 1 1 35 35 ASP H H 1 8.617 . . 1 . . . A 35 ASP H . 11540 1 300 . 1 1 35 35 ASP HA H 1 4.941 . . 1 . . . A 35 ASP HA . 11540 1 301 . 1 1 35 35 ASP HB2 H 1 3.195 . . 2 . . . A 35 ASP HB2 . 11540 1 302 . 1 1 35 35 ASP HB3 H 1 3.102 . . 2 . . . A 35 ASP HB3 . 11540 1 303 . 1 1 35 35 ASP CA C 13 51.322 . . 1 . . . A 35 ASP CA . 11540 1 304 . 1 1 35 35 ASP CB C 13 32.230 . . 1 . . . A 35 ASP CB . 11540 1 305 . 1 1 35 35 ASP N N 15 120.446 . . 1 . . . A 35 ASP N . 11540 1 306 . 1 1 36 36 CYS H H 1 8.583 . . 1 . . . A 36 CYS H . 11540 1 307 . 1 1 36 36 CYS HA H 1 5.248 . . 1 . . . A 36 CYS HA . 11540 1 308 . 1 1 36 36 CYS HB2 H 1 3.476 . . 2 . . . A 36 CYS HB2 . 11540 1 309 . 1 1 36 36 CYS HB3 H 1 2.886 . . 2 . . . A 36 CYS HB3 . 11540 1 310 . 1 1 36 36 CYS CA C 13 55.270 . . 1 . . . A 36 CYS CA . 11540 1 311 . 1 1 36 36 CYS CB C 13 44.931 . . 1 . . . A 36 CYS CB . 11540 1 312 . 1 1 36 36 CYS N N 15 117.642 . . 1 . . . A 36 CYS N . 11540 1 313 . 1 1 37 37 TRP H H 1 9.065 . . 1 . . . A 37 TRP H . 11540 1 314 . 1 1 37 37 TRP HA H 1 5.683 . . 1 . . . A 37 TRP HA . 11540 1 315 . 1 1 37 37 TRP HB2 H 1 3.212 . . 2 . . . A 37 TRP HB2 . 11540 1 316 . 1 1 37 37 TRP HB3 H 1 2.906 . . 2 . . . A 37 TRP HB3 . 11540 1 317 . 1 1 37 37 TRP HD1 H 1 7.105 . . 1 . . . A 37 TRP HD1 . 11540 1 318 . 1 1 37 37 TRP HE1 H 1 9.970 . . 1 . . . A 37 TRP HE1 . 11540 1 319 . 1 1 37 37 TRP HE3 H 1 7.566 . . 1 . . . A 37 TRP HE3 . 11540 1 320 . 1 1 37 37 TRP HZ2 H 1 7.242 . . 1 . . . A 37 TRP HZ2 . 11540 1 321 . 1 1 37 37 TRP HH2 H 1 6.902 . . 1 . . . A 37 TRP HH2 . 11540 1 322 . 1 1 37 37 TRP CA C 13 56.681 . . 1 . . . A 37 TRP CA . 11540 1 323 . 1 1 37 37 TRP CB C 13 30.814 . . 1 . . . A 37 TRP CB . 11540 1 324 . 1 1 37 37 TRP N N 15 122.751 . . 1 . . . A 37 TRP N . 11540 1 325 . 1 1 37 37 TRP NE1 N 15 128.764 . . 1 . . . A 37 TRP NE1 . 11540 1 326 . 1 1 38 38 CYS H H 1 9.304 . . 1 . . . A 38 CYS H . 11540 1 327 . 1 1 38 38 CYS HA H 1 5.717 . . 1 . . . A 38 CYS HA . 11540 1 328 . 1 1 38 38 CYS HB2 H 1 2.902 . . 2 . . . A 38 CYS HB2 . 11540 1 329 . 1 1 38 38 CYS HB3 H 1 2.902 . . 2 . . . A 38 CYS HB3 . 11540 1 330 . 1 1 38 38 CYS CA C 13 56.301 . . 1 . . . A 38 CYS CA . 11540 1 331 . 1 1 38 38 CYS CB C 13 48.482 . . 1 . . . A 38 CYS CB . 11540 1 332 . 1 1 38 38 CYS N N 15 121.430 . . 1 . . . A 38 CYS N . 11540 1 333 . 1 1 39 39 CYS H H 1 8.757 . . 1 . . . A 39 CYS H . 11540 1 334 . 1 1 39 39 CYS HA H 1 4.649 . . 1 . . . A 39 CYS HA . 11540 1 335 . 1 1 39 39 CYS HB2 H 1 2.622 . . 2 . . . A 39 CYS HB2 . 11540 1 336 . 1 1 39 39 CYS HB3 H 1 3.016 . . 2 . . . A 39 CYS HB3 . 11540 1 337 . 1 1 39 39 CYS CA C 13 56.104 . . 1 . . . A 39 CYS CA . 11540 1 338 . 1 1 39 39 CYS CB C 13 41.137 . . 1 . . . A 39 CYS CB . 11540 1 339 . 1 1 39 39 CYS N N 15 120.674 . . 1 . . . A 39 CYS N . 11540 1 340 . 1 1 40 40 LEU H H 1 8.409 . . 1 . . . A 40 LEU H . 11540 1 341 . 1 1 40 40 LEU HA H 1 4.305 . . 1 . . . A 40 LEU HA . 11540 1 342 . 1 1 40 40 LEU HB2 H 1 1.575 . . 2 . . . A 40 LEU HB2 . 11540 1 343 . 1 1 40 40 LEU HB3 H 1 1.575 . . 2 . . . A 40 LEU HB3 . 11540 1 344 . 1 1 40 40 LEU HD11 H 1 0.864 . . 2 . . . A 40 LEU HD11 . 11540 1 345 . 1 1 40 40 LEU HD12 H 1 0.864 . . 2 . . . A 40 LEU HD12 . 11540 1 346 . 1 1 40 40 LEU HD13 H 1 0.864 . . 2 . . . A 40 LEU HD13 . 11540 1 347 . 1 1 40 40 LEU HD21 H 1 0.864 . . 2 . . . A 40 LEU HD21 . 11540 1 348 . 1 1 40 40 LEU HD22 H 1 0.864 . . 2 . . . A 40 LEU HD22 . 11540 1 349 . 1 1 40 40 LEU HD23 H 1 0.864 . . 2 . . . A 40 LEU HD23 . 11540 1 350 . 1 1 40 40 LEU N N 15 124.472 . . 1 . . . A 40 LEU N . 11540 1 351 . 1 1 41 41 ARG H H 1 8.452 . . 1 . . . A 41 ARG H . 11540 1 352 . 1 1 41 41 ARG HA H 1 4.486 . . 1 . . . A 41 ARG HA . 11540 1 353 . 1 1 41 41 ARG HB2 H 1 1.898 . . 2 . . . A 41 ARG HB2 . 11540 1 354 . 1 1 41 41 ARG HB3 H 1 1.668 . . 2 . . . A 41 ARG HB3 . 11540 1 355 . 1 1 41 41 ARG HG2 H 1 1.616 . . 2 . . . A 41 ARG HG2 . 11540 1 356 . 1 1 41 41 ARG HG3 H 1 1.616 . . 2 . . . A 41 ARG HG3 . 11540 1 357 . 1 1 41 41 ARG HD2 H 1 3.026 . . 2 . . . A 41 ARG HD2 . 11540 1 358 . 1 1 41 41 ARG HD3 H 1 3.026 . . 2 . . . A 41 ARG HD3 . 11540 1 359 . 1 1 41 41 ARG CA C 13 55.255 . . 1 . . . A 41 ARG CA . 11540 1 360 . 1 1 41 41 ARG CB C 13 30.811 . . 1 . . . A 41 ARG CB . 11540 1 361 . 1 1 41 41 ARG CG C 13 27.035 . . 1 . . . A 41 ARG CG . 11540 1 362 . 1 1 41 41 ARG CD C 13 43.511 . . 1 . . . A 41 ARG CD . 11540 1 363 . 1 1 41 41 ARG N N 15 122.793 . . 1 . . . A 41 ARG N . 11540 1 364 . 1 1 42 42 LEU H H 1 8.167 . . 1 . . . A 42 LEU H . 11540 1 365 . 1 1 42 42 LEU HA H 1 4.408 . . 1 . . . A 42 LEU HA . 11540 1 366 . 1 1 42 42 LEU HB2 H 1 1.740 . . 2 . . . A 42 LEU HB2 . 11540 1 367 . 1 1 42 42 LEU HB3 H 1 1.659 . . 2 . . . A 42 LEU HB3 . 11540 1 368 . 1 1 42 42 LEU HG H 1 1.653 . . 1 . . . A 42 LEU HG . 11540 1 369 . 1 1 42 42 LEU HD11 H 1 0.939 . . 2 . . . A 42 LEU HD11 . 11540 1 370 . 1 1 42 42 LEU HD12 H 1 0.939 . . 2 . . . A 42 LEU HD12 . 11540 1 371 . 1 1 42 42 LEU HD13 H 1 0.939 . . 2 . . . A 42 LEU HD13 . 11540 1 372 . 1 1 42 42 LEU HD21 H 1 0.939 . . 2 . . . A 42 LEU HD21 . 11540 1 373 . 1 1 42 42 LEU HD22 H 1 0.939 . . 2 . . . A 42 LEU HD22 . 11540 1 374 . 1 1 42 42 LEU HD23 H 1 0.939 . . 2 . . . A 42 LEU HD23 . 11540 1 375 . 1 1 42 42 LEU CA C 13 55.480 . . 1 . . . A 42 LEU CA . 11540 1 376 . 1 1 42 42 LEU CB C 13 42.972 . . 1 . . . A 42 LEU CB . 11540 1 377 . 1 1 42 42 LEU CG C 13 27.209 . . 1 . . . A 42 LEU CG . 11540 1 378 . 1 1 42 42 LEU CD1 C 13 25.180 . . 2 . . . A 42 LEU CD1 . 11540 1 379 . 1 1 42 42 LEU CD2 C 13 23.558 . . 2 . . . A 42 LEU CD2 . 11540 1 380 . 1 1 42 42 LEU N N 15 122.038 . . 1 . . . A 42 LEU N . 11540 1 381 . 1 1 43 43 LYS H H 1 8.679 . . 1 . . . A 43 LYS H . 11540 1 382 . 1 1 43 43 LYS HA H 1 4.287 . . 1 . . . A 43 LYS HA . 11540 1 383 . 1 1 43 43 LYS HB2 H 1 1.946 . . 2 . . . A 43 LYS HB2 . 11540 1 384 . 1 1 43 43 LYS HB3 H 1 1.857 . . 2 . . . A 43 LYS HB3 . 11540 1 385 . 1 1 43 43 LYS HG2 H 1 1.466 . . 2 . . . A 43 LYS HG2 . 11540 1 386 . 1 1 43 43 LYS HG3 H 1 1.466 . . 2 . . . A 43 LYS HG3 . 11540 1 387 . 1 1 43 43 LYS HD2 H 1 1.693 . . 2 . . . A 43 LYS HD2 . 11540 1 388 . 1 1 43 43 LYS HD3 H 1 1.693 . . 2 . . . A 43 LYS HD3 . 11540 1 389 . 1 1 43 43 LYS CA C 13 57.253 . . 1 . . . A 43 LYS CA . 11540 1 390 . 1 1 43 43 LYS CB C 13 32.439 . . 1 . . . A 43 LYS CB . 11540 1 391 . 1 1 43 43 LYS CG C 13 25.121 . . 1 . . . A 43 LYS CG . 11540 1 392 . 1 1 43 43 LYS CD C 13 29.003 . . 1 . . . A 43 LYS CD . 11540 1 393 . 1 1 43 43 LYS N N 15 119.852 . . 1 . . . A 43 LYS N . 11540 1 394 . 1 1 44 44 THR H H 1 7.570 . . 1 . . . A 44 THR H . 11540 1 395 . 1 1 44 44 THR HA H 1 4.432 . . 1 . . . A 44 THR HA . 11540 1 396 . 1 1 44 44 THR HB H 1 4.403 . . 1 . . . A 44 THR HB . 11540 1 397 . 1 1 44 44 THR HG21 H 1 1.217 . . 1 . . . A 44 THR HG21 . 11540 1 398 . 1 1 44 44 THR HG22 H 1 1.217 . . 1 . . . A 44 THR HG22 . 11540 1 399 . 1 1 44 44 THR HG23 H 1 1.217 . . 1 . . . A 44 THR HG23 . 11540 1 400 . 1 1 44 44 THR CA C 13 60.848 . . 1 . . . A 44 THR CA . 11540 1 401 . 1 1 44 44 THR CB C 13 69.811 . . 1 . . . A 44 THR CB . 11540 1 402 . 1 1 44 44 THR CG2 C 13 21.680 . . 1 . . . A 44 THR CG2 . 11540 1 403 . 1 1 44 44 THR N N 15 110.390 . . 1 . . . A 44 THR N . 11540 1 404 . 1 1 45 45 LYS H H 1 8.250 . . 1 . . . A 45 LYS H . 11540 1 405 . 1 1 45 45 LYS HA H 1 4.200 . . 1 . . . A 45 LYS HA . 11540 1 406 . 1 1 45 45 LYS HB2 H 1 1.879 . . 2 . . . A 45 LYS HB2 . 11540 1 407 . 1 1 45 45 LYS HB3 H 1 1.879 . . 2 . . . A 45 LYS HB3 . 11540 1 408 . 1 1 45 45 LYS HG2 H 1 1.444 . . 2 . . . A 45 LYS HG2 . 11540 1 409 . 1 1 45 45 LYS HG3 H 1 1.444 . . 2 . . . A 45 LYS HG3 . 11540 1 410 . 1 1 45 45 LYS HD2 H 1 1.685 . . 2 . . . A 45 LYS HD2 . 11540 1 411 . 1 1 45 45 LYS HD3 H 1 1.685 . . 2 . . . A 45 LYS HD3 . 11540 1 412 . 1 1 45 45 LYS CA C 13 57.262 . . 1 . . . A 45 LYS CA . 11540 1 413 . 1 1 45 45 LYS CB C 13 32.179 . . 1 . . . A 45 LYS CB . 11540 1 414 . 1 1 45 45 LYS CG C 13 24.904 . . 1 . . . A 45 LYS CG . 11540 1 415 . 1 1 45 45 LYS CD C 13 28.875 . . 1 . . . A 45 LYS CD . 11540 1 416 . 1 1 45 45 LYS N N 15 119.868 . . 1 . . . A 45 LYS N . 11540 1 417 . 1 1 46 46 GLN H H 1 7.929 . . 1 . . . A 46 GLN H . 11540 1 418 . 1 1 46 46 GLN HA H 1 4.372 . . 1 . . . A 46 GLN HA . 11540 1 419 . 1 1 46 46 GLN HB2 H 1 2.053 . . 2 . . . A 46 GLN HB2 . 11540 1 420 . 1 1 46 46 GLN HB3 H 1 1.939 . . 2 . . . A 46 GLN HB3 . 11540 1 421 . 1 1 46 46 GLN HG2 H 1 2.341 . . 2 . . . A 46 GLN HG2 . 11540 1 422 . 1 1 46 46 GLN HG3 H 1 2.341 . . 2 . . . A 46 GLN HG3 . 11540 1 423 . 1 1 46 46 GLN HE21 H 1 6.885 . . 2 . . . A 46 GLN HE21 . 11540 1 424 . 1 1 46 46 GLN HE22 H 1 7.556 . . 2 . . . A 46 GLN HE22 . 11540 1 425 . 1 1 46 46 GLN CA C 13 55.223 . . 1 . . . A 46 GLN CA . 11540 1 426 . 1 1 46 46 GLN CB C 13 29.802 . . 1 . . . A 46 GLN CB . 11540 1 427 . 1 1 46 46 GLN CG C 13 33.761 . . 1 . . . A 46 GLN CG . 11540 1 428 . 1 1 46 46 GLN N N 15 118.559 . . 1 . . . A 46 GLN N . 11540 1 429 . 1 1 46 46 GLN NE2 N 15 112.403 . . 1 . . . A 46 GLN NE2 . 11540 1 430 . 1 1 47 47 ALA H H 1 8.349 . . 1 . . . A 47 ALA H . 11540 1 431 . 1 1 47 47 ALA HA H 1 4.389 . . 1 . . . A 47 ALA HA . 11540 1 432 . 1 1 47 47 ALA HB1 H 1 1.344 . . 1 . . . A 47 ALA HB1 . 11540 1 433 . 1 1 47 47 ALA HB2 H 1 1.344 . . 1 . . . A 47 ALA HB2 . 11540 1 434 . 1 1 47 47 ALA HB3 H 1 1.344 . . 1 . . . A 47 ALA HB3 . 11540 1 435 . 1 1 47 47 ALA CA C 13 52.276 . . 1 . . . A 47 ALA CA . 11540 1 436 . 1 1 47 47 ALA CB C 13 19.881 . . 1 . . . A 47 ALA CB . 11540 1 437 . 1 1 47 47 ALA N N 15 126.585 . . 1 . . . A 47 ALA N . 11540 1 438 . 1 1 48 48 ARG H H 1 8.369 . . 1 . . . A 48 ARG H . 11540 1 439 . 1 1 48 48 ARG HA H 1 4.323 . . 1 . . . A 48 ARG HA . 11540 1 440 . 1 1 48 48 ARG HB2 H 1 1.678 . . 2 . . . A 48 ARG HB2 . 11540 1 441 . 1 1 48 48 ARG HB3 H 1 1.678 . . 2 . . . A 48 ARG HB3 . 11540 1 442 . 1 1 48 48 ARG HG2 H 1 1.325 . . 2 . . . A 48 ARG HG2 . 11540 1 443 . 1 1 48 48 ARG HG3 H 1 1.099 . . 2 . . . A 48 ARG HG3 . 11540 1 444 . 1 1 48 48 ARG CA C 13 55.708 . . 1 . . . A 48 ARG CA . 11540 1 445 . 1 1 48 48 ARG CB C 13 31.781 . . 1 . . . A 48 ARG CB . 11540 1 446 . 1 1 48 48 ARG CG C 13 26.753 . . 1 . . . A 48 ARG CG . 11540 1 447 . 1 1 48 48 ARG N N 15 123.045 . . 1 . . . A 48 ARG N . 11540 1 448 . 1 1 49 49 CYS H H 1 8.903 . . 1 . . . A 49 CYS H . 11540 1 449 . 1 1 49 49 CYS HA H 1 5.737 . . 1 . . . A 49 CYS HA . 11540 1 450 . 1 1 49 49 CYS HB2 H 1 3.069 . . 2 . . . A 49 CYS HB2 . 11540 1 451 . 1 1 49 49 CYS HB3 H 1 2.599 . . 2 . . . A 49 CYS HB3 . 11540 1 452 . 1 1 49 49 CYS CA C 13 55.607 . . 1 . . . A 49 CYS CA . 11540 1 453 . 1 1 49 49 CYS CB C 13 50.418 . . 1 . . . A 49 CYS CB . 11540 1 454 . 1 1 49 49 CYS N N 15 120.723 . . 1 . . . A 49 CYS N . 11540 1 455 . 1 1 50 50 TRP H H 1 9.643 . . 1 . . . A 50 TRP H . 11540 1 456 . 1 1 50 50 TRP HA H 1 4.737 . . 1 . . . A 50 TRP HA . 11540 1 457 . 1 1 50 50 TRP HB2 H 1 3.372 . . 2 . . . A 50 TRP HB2 . 11540 1 458 . 1 1 50 50 TRP HB3 H 1 2.818 . . 2 . . . A 50 TRP HB3 . 11540 1 459 . 1 1 50 50 TRP HD1 H 1 6.980 . . 1 . . . A 50 TRP HD1 . 11540 1 460 . 1 1 50 50 TRP HE1 H 1 10.039 . . 1 . . . A 50 TRP HE1 . 11540 1 461 . 1 1 50 50 TRP HE3 H 1 7.775 . . 1 . . . A 50 TRP HE3 . 11540 1 462 . 1 1 50 50 TRP CA C 13 58.558 . . 1 . . . A 50 TRP CA . 11540 1 463 . 1 1 50 50 TRP CB C 13 32.905 . . 1 . . . A 50 TRP CB . 11540 1 464 . 1 1 50 50 TRP N N 15 124.557 . . 1 . . . A 50 TRP N . 11540 1 465 . 1 1 50 50 TRP NE1 N 15 130.725 . . 1 . . . A 50 TRP NE1 . 11540 1 466 . 1 1 51 51 LYS H H 1 9.705 . . 1 . . . A 51 LYS H . 11540 1 467 . 1 1 51 51 LYS HB2 H 1 1.939 . . 2 . . . A 51 LYS HB2 . 11540 1 468 . 1 1 51 51 LYS HB3 H 1 1.725 . . 2 . . . A 51 LYS HB3 . 11540 1 469 . 1 1 51 51 LYS HG2 H 1 1.485 . . 2 . . . A 51 LYS HG2 . 11540 1 470 . 1 1 51 51 LYS HG3 H 1 1.485 . . 2 . . . A 51 LYS HG3 . 11540 1 471 . 1 1 51 51 LYS HD2 H 1 2.247 . . 2 . . . A 51 LYS HD2 . 11540 1 472 . 1 1 51 51 LYS HD3 H 1 2.247 . . 2 . . . A 51 LYS HD3 . 11540 1 473 . 1 1 51 51 LYS HE2 H 1 2.937 . . 2 . . . A 51 LYS HE2 . 11540 1 474 . 1 1 51 51 LYS HE3 H 1 2.937 . . 2 . . . A 51 LYS HE3 . 11540 1 475 . 1 1 51 51 LYS N N 15 125.683 . . 1 . . . A 51 LYS N . 11540 1 476 . 1 1 52 52 GLU H H 1 8.727 . . 1 . . . A 52 GLU H . 11540 1 477 . 1 1 52 52 GLU HA H 1 4.572 . . 1 . . . A 52 GLU HA . 11540 1 478 . 1 1 52 52 GLU HB2 H 1 2.344 . . 2 . . . A 52 GLU HB2 . 11540 1 479 . 1 1 52 52 GLU HB3 H 1 2.097 . . 2 . . . A 52 GLU HB3 . 11540 1 480 . 1 1 52 52 GLU HG2 H 1 2.732 . . 2 . . . A 52 GLU HG2 . 11540 1 481 . 1 1 52 52 GLU HG3 H 1 2.388 . . 2 . . . A 52 GLU HG3 . 11540 1 482 . 1 1 52 52 GLU CA C 13 58.831 . . 1 . . . A 52 GLU CA . 11540 1 483 . 1 1 52 52 GLU CB C 13 29.940 . . 1 . . . A 52 GLU CB . 11540 1 484 . 1 1 52 52 GLU CG C 13 38.564 . . 1 . . . A 52 GLU CG . 11540 1 485 . 1 1 52 52 GLU N N 15 125.922 . . 1 . . . A 52 GLU N . 11540 1 486 . 1 1 53 53 LYS H H 1 8.953 . . 1 . . . A 53 LYS H . 11540 1 487 . 1 1 53 53 LYS HA H 1 4.161 . . 1 . . . A 53 LYS HA . 11540 1 488 . 1 1 53 53 LYS HB2 H 1 2.141 . . 2 . . . A 53 LYS HB2 . 11540 1 489 . 1 1 53 53 LYS HB3 H 1 1.777 . . 2 . . . A 53 LYS HB3 . 11540 1 490 . 1 1 53 53 LYS HG2 H 1 1.509 . . 2 . . . A 53 LYS HG2 . 11540 1 491 . 1 1 53 53 LYS HG3 H 1 1.509 . . 2 . . . A 53 LYS HG3 . 11540 1 492 . 1 1 53 53 LYS HD2 H 1 1.737 . . 2 . . . A 53 LYS HD2 . 11540 1 493 . 1 1 53 53 LYS HD3 H 1 1.737 . . 2 . . . A 53 LYS HD3 . 11540 1 494 . 1 1 53 53 LYS HE2 H 1 2.941 . . 2 . . . A 53 LYS HE2 . 11540 1 495 . 1 1 53 53 LYS HE3 H 1 2.941 . . 2 . . . A 53 LYS HE3 . 11540 1 496 . 1 1 53 53 LYS CA C 13 58.053 . . 1 . . . A 53 LYS CA . 11540 1 497 . 1 1 53 53 LYS CB C 13 32.338 . . 1 . . . A 53 LYS CB . 11540 1 498 . 1 1 53 53 LYS CG C 13 25.020 . . 1 . . . A 53 LYS CG . 11540 1 499 . 1 1 53 53 LYS CD C 13 29.041 . . 1 . . . A 53 LYS CD . 11540 1 500 . 1 1 53 53 LYS CE C 13 41.759 . . 1 . . . A 53 LYS CE . 11540 1 501 . 1 1 53 53 LYS N N 15 116.395 . . 1 . . . A 53 LYS N . 11540 1 502 . 1 1 54 54 GLU H H 1 7.005 . . 1 . . . A 54 GLU H . 11540 1 503 . 1 1 54 54 GLU HA H 1 4.126 . . 1 . . . A 54 GLU HA . 11540 1 504 . 1 1 54 54 GLU HB2 H 1 1.893 . . 2 . . . A 54 GLU HB2 . 11540 1 505 . 1 1 54 54 GLU HB3 H 1 1.690 . . 2 . . . A 54 GLU HB3 . 11540 1 506 . 1 1 54 54 GLU HG2 H 1 2.037 . . 2 . . . A 54 GLU HG2 . 11540 1 507 . 1 1 54 54 GLU HG3 H 1 2.037 . . 2 . . . A 54 GLU HG3 . 11540 1 508 . 1 1 54 54 GLU CA C 13 56.962 . . 1 . . . A 54 GLU CA . 11540 1 509 . 1 1 54 54 GLU CB C 13 31.259 . . 1 . . . A 54 GLU CB . 11540 1 510 . 1 1 54 54 GLU CG C 13 35.313 . . 1 . . . A 54 GLU CG . 11540 1 511 . 1 1 54 54 GLU N N 15 116.128 . . 1 . . . A 54 GLU N . 11540 1 512 . 1 1 55 55 PHE H H 1 8.152 . . 1 . . . A 55 PHE H . 11540 1 513 . 1 1 55 55 PHE HA H 1 5.160 . . 1 . . . A 55 PHE HA . 11540 1 514 . 1 1 55 55 PHE HB2 H 1 3.038 . . 2 . . . A 55 PHE HB2 . 11540 1 515 . 1 1 55 55 PHE HB3 H 1 2.865 . . 2 . . . A 55 PHE HB3 . 11540 1 516 . 1 1 55 55 PHE HD1 H 1 7.584 . . 3 . . . A 55 PHE HD1 . 11540 1 517 . 1 1 55 55 PHE HD2 H 1 7.584 . . 3 . . . A 55 PHE HD2 . 11540 1 518 . 1 1 55 55 PHE CA C 13 54.317 . . 1 . . . A 55 PHE CA . 11540 1 519 . 1 1 55 55 PHE CB C 13 41.100 . . 1 . . . A 55 PHE CB . 11540 1 520 . 1 1 55 55 PHE N N 15 116.509 . . 1 . . . A 55 PHE N . 11540 1 521 . 1 1 56 56 PRO HA H 1 4.630 . . 1 . . . A 56 PRO HA . 11540 1 522 . 1 1 56 56 PRO HB2 H 1 2.475 . . 2 . . . A 56 PRO HB2 . 11540 1 523 . 1 1 56 56 PRO HB3 H 1 2.033 . . 2 . . . A 56 PRO HB3 . 11540 1 524 . 1 1 56 56 PRO HG2 H 1 2.134 . . 2 . . . A 56 PRO HG2 . 11540 1 525 . 1 1 56 56 PRO HG3 H 1 2.134 . . 2 . . . A 56 PRO HG3 . 11540 1 526 . 1 1 56 56 PRO HD2 H 1 3.996 . . 2 . . . A 56 PRO HD2 . 11540 1 527 . 1 1 56 56 PRO HD3 H 1 3.775 . . 2 . . . A 56 PRO HD3 . 11540 1 528 . 1 1 56 56 PRO CA C 13 64.595 . . 1 . . . A 56 PRO CA . 11540 1 529 . 1 1 56 56 PRO CB C 13 31.595 . . 1 . . . A 56 PRO CB . 11540 1 530 . 1 1 56 56 PRO CG C 13 27.507 . . 1 . . . A 56 PRO CG . 11540 1 531 . 1 1 56 56 PRO CD C 13 50.583 . . 1 . . . A 56 PRO CD . 11540 1 532 . 1 1 57 57 ASN H H 1 8.763 . . 1 . . . A 57 ASN H . 11540 1 533 . 1 1 57 57 ASN HA H 1 4.944 . . 1 . . . A 57 ASN HA . 11540 1 534 . 1 1 57 57 ASN HB2 H 1 2.988 . . 2 . . . A 57 ASN HB2 . 11540 1 535 . 1 1 57 57 ASN HB3 H 1 2.690 . . 2 . . . A 57 ASN HB3 . 11540 1 536 . 1 1 57 57 ASN HD21 H 1 7.579 . . 2 . . . A 57 ASN HD21 . 11540 1 537 . 1 1 57 57 ASN HD22 H 1 6.797 . . 2 . . . A 57 ASN HD22 . 11540 1 538 . 1 1 57 57 ASN CA C 13 51.740 . . 1 . . . A 57 ASN CA . 11540 1 539 . 1 1 57 57 ASN CB C 13 35.745 . . 1 . . . A 57 ASN CB . 11540 1 540 . 1 1 57 57 ASN N N 15 114.046 . . 1 . . . A 57 ASN N . 11540 1 541 . 1 1 57 57 ASN ND2 N 15 111.456 . . 1 . . . A 57 ASN ND2 . 11540 1 542 . 1 1 58 58 ALA H H 1 7.703 . . 1 . . . A 58 ALA H . 11540 1 543 . 1 1 58 58 ALA HA H 1 3.545 . . 1 . . . A 58 ALA HA . 11540 1 544 . 1 1 58 58 ALA HB1 H 1 1.835 . . 1 . . . A 58 ALA HB1 . 11540 1 545 . 1 1 58 58 ALA HB2 H 1 1.835 . . 1 . . . A 58 ALA HB2 . 11540 1 546 . 1 1 58 58 ALA HB3 H 1 1.835 . . 1 . . . A 58 ALA HB3 . 11540 1 547 . 1 1 58 58 ALA CA C 13 56.117 . . 1 . . . A 58 ALA CA . 11540 1 548 . 1 1 58 58 ALA CB C 13 20.257 . . 1 . . . A 58 ALA CB . 11540 1 549 . 1 1 58 58 ALA N N 15 122.065 . . 1 . . . A 58 ALA N . 11540 1 550 . 1 1 59 59 LYS H H 1 8.218 . . 1 . . . A 59 LYS H . 11540 1 551 . 1 1 59 59 LYS HA H 1 2.451 . . 1 . . . A 59 LYS HA . 11540 1 552 . 1 1 59 59 LYS HB2 H 1 0.954 . . 2 . . . A 59 LYS HB2 . 11540 1 553 . 1 1 59 59 LYS HB3 H 1 0.216 . . 2 . . . A 59 LYS HB3 . 11540 1 554 . 1 1 59 59 LYS HG2 H 1 0.182 . . 2 . . . A 59 LYS HG2 . 11540 1 555 . 1 1 59 59 LYS HG3 H 1 -0.871 . . 2 . . . A 59 LYS HG3 . 11540 1 556 . 1 1 59 59 LYS HD2 H 1 0.990 . . 2 . . . A 59 LYS HD2 . 11540 1 557 . 1 1 59 59 LYS HD3 H 1 0.990 . . 2 . . . A 59 LYS HD3 . 11540 1 558 . 1 1 59 59 LYS HE2 H 1 2.408 . . 2 . . . A 59 LYS HE2 . 11540 1 559 . 1 1 59 59 LYS HE3 H 1 2.293 . . 2 . . . A 59 LYS HE3 . 11540 1 560 . 1 1 59 59 LYS CA C 13 60.189 . . 1 . . . A 59 LYS CA . 11540 1 561 . 1 1 59 59 LYS CB C 13 32.041 . . 1 . . . A 59 LYS CB . 11540 1 562 . 1 1 59 59 LYS CG C 13 23.998 . . 1 . . . A 59 LYS CG . 11540 1 563 . 1 1 59 59 LYS CD C 13 29.696 . . 1 . . . A 59 LYS CD . 11540 1 564 . 1 1 59 59 LYS CE C 13 41.545 . . 1 . . . A 59 LYS CE . 11540 1 565 . 1 1 59 59 LYS N N 15 117.102 . . 1 . . . A 59 LYS N . 11540 1 566 . 1 1 60 60 GLU H H 1 7.412 . . 1 . . . A 60 GLU H . 11540 1 567 . 1 1 60 60 GLU HA H 1 3.616 . . 1 . . . A 60 GLU HA . 11540 1 568 . 1 1 60 60 GLU HB2 H 1 1.944 . . 2 . . . A 60 GLU HB2 . 11540 1 569 . 1 1 60 60 GLU HB3 H 1 1.813 . . 2 . . . A 60 GLU HB3 . 11540 1 570 . 1 1 60 60 GLU HG2 H 1 2.227 . . 2 . . . A 60 GLU HG2 . 11540 1 571 . 1 1 60 60 GLU HG3 H 1 2.064 . . 2 . . . A 60 GLU HG3 . 11540 1 572 . 1 1 60 60 GLU CA C 13 59.907 . . 1 . . . A 60 GLU CA . 11540 1 573 . 1 1 60 60 GLU CB C 13 28.541 . . 1 . . . A 60 GLU CB . 11540 1 574 . 1 1 60 60 GLU CG C 13 36.598 . . 1 . . . A 60 GLU CG . 11540 1 575 . 1 1 60 60 GLU N N 15 117.223 . . 1 . . . A 60 GLU N . 11540 1 576 . 1 1 61 61 LEU H H 1 7.987 . . 1 . . . A 61 LEU H . 11540 1 577 . 1 1 61 61 LEU HA H 1 3.433 . . 1 . . . A 61 LEU HA . 11540 1 578 . 1 1 61 61 LEU HB2 H 1 0.786 . . 2 . . . A 61 LEU HB2 . 11540 1 579 . 1 1 61 61 LEU HB3 H 1 0.022 . . 2 . . . A 61 LEU HB3 . 11540 1 580 . 1 1 61 61 LEU HG H 1 1.207 . . 1 . . . A 61 LEU HG . 11540 1 581 . 1 1 61 61 LEU HD11 H 1 0.508 . . 2 . . . A 61 LEU HD11 . 11540 1 582 . 1 1 61 61 LEU HD12 H 1 0.508 . . 2 . . . A 61 LEU HD12 . 11540 1 583 . 1 1 61 61 LEU HD13 H 1 0.508 . . 2 . . . A 61 LEU HD13 . 11540 1 584 . 1 1 61 61 LEU HD21 H 1 0.400 . . 2 . . . A 61 LEU HD21 . 11540 1 585 . 1 1 61 61 LEU HD22 H 1 0.400 . . 2 . . . A 61 LEU HD22 . 11540 1 586 . 1 1 61 61 LEU HD23 H 1 0.400 . . 2 . . . A 61 LEU HD23 . 11540 1 587 . 1 1 61 61 LEU CA C 13 57.116 . . 1 . . . A 61 LEU CA . 11540 1 588 . 1 1 61 61 LEU CB C 13 40.745 . . 1 . . . A 61 LEU CB . 11540 1 589 . 1 1 61 61 LEU CG C 13 26.202 . . 1 . . . A 61 LEU CG . 11540 1 590 . 1 1 61 61 LEU CD1 C 13 22.076 . . 2 . . . A 61 LEU CD1 . 11540 1 591 . 1 1 61 61 LEU CD2 C 13 26.710 . . 2 . . . A 61 LEU CD2 . 11540 1 592 . 1 1 61 61 LEU N N 15 119.950 . . 1 . . . A 61 LEU N . 11540 1 593 . 1 1 62 62 CYS H H 1 7.506 . . 1 . . . A 62 CYS H . 11540 1 594 . 1 1 62 62 CYS HA H 1 4.481 . . 1 . . . A 62 CYS HA . 11540 1 595 . 1 1 62 62 CYS HB2 H 1 2.824 . . 2 . . . A 62 CYS HB2 . 11540 1 596 . 1 1 62 62 CYS HB3 H 1 3.387 . . 2 . . . A 62 CYS HB3 . 11540 1 597 . 1 1 62 62 CYS CA C 13 57.231 . . 1 . . . A 62 CYS CA . 11540 1 598 . 1 1 62 62 CYS CB C 13 32.744 . . 1 . . . A 62 CYS CB . 11540 1 599 . 1 1 62 62 CYS N N 15 119.386 . . 1 . . . A 62 CYS N . 11540 1 600 . 1 1 63 63 PHE H H 1 8.085 . . 1 . . . A 63 PHE H . 11540 1 601 . 1 1 63 63 PHE HA H 1 3.819 . . 1 . . . A 63 PHE HA . 11540 1 602 . 1 1 63 63 PHE HB2 H 1 2.956 . . 2 . . . A 63 PHE HB2 . 11540 1 603 . 1 1 63 63 PHE HB3 H 1 2.864 . . 2 . . . A 63 PHE HB3 . 11540 1 604 . 1 1 63 63 PHE HD1 H 1 7.353 . . 3 . . . A 63 PHE HD1 . 11540 1 605 . 1 1 63 63 PHE HD2 H 1 7.353 . . 3 . . . A 63 PHE HD2 . 11540 1 606 . 1 1 63 63 PHE HE1 H 1 7.223 . . 3 . . . A 63 PHE HE1 . 11540 1 607 . 1 1 63 63 PHE HE2 H 1 7.223 . . 3 . . . A 63 PHE HE2 . 11540 1 608 . 1 1 63 63 PHE CB C 13 38.315 . . 1 . . . A 63 PHE CB . 11540 1 609 . 1 1 63 63 PHE N N 15 112.582 . . 1 . . . A 63 PHE N . 11540 1 610 . 1 1 64 64 ALA H H 1 7.658 . . 1 . . . A 64 ALA H . 11540 1 611 . 1 1 64 64 ALA HA H 1 4.196 . . 1 . . . A 64 ALA HA . 11540 1 612 . 1 1 64 64 ALA HB1 H 1 1.317 . . 1 . . . A 64 ALA HB1 . 11540 1 613 . 1 1 64 64 ALA HB2 H 1 1.317 . . 1 . . . A 64 ALA HB2 . 11540 1 614 . 1 1 64 64 ALA HB3 H 1 1.317 . . 1 . . . A 64 ALA HB3 . 11540 1 615 . 1 1 64 64 ALA CA C 13 53.612 . . 1 . . . A 64 ALA CA . 11540 1 616 . 1 1 64 64 ALA CB C 13 18.975 . . 1 . . . A 64 ALA CB . 11540 1 617 . 1 1 64 64 ALA N N 15 118.999 . . 1 . . . A 64 ALA N . 11540 1 618 . 1 1 65 65 ASN H H 1 7.285 . . 1 . . . A 65 ASN H . 11540 1 619 . 1 1 65 65 ASN HA H 1 4.869 . . 1 . . . A 65 ASN HA . 11540 1 620 . 1 1 65 65 ASN HB2 H 1 3.012 . . 2 . . . A 65 ASN HB2 . 11540 1 621 . 1 1 65 65 ASN HB3 H 1 2.606 . . 2 . . . A 65 ASN HB3 . 11540 1 622 . 1 1 65 65 ASN HD21 H 1 7.044 . . 2 . . . A 65 ASN HD21 . 11540 1 623 . 1 1 65 65 ASN HD22 H 1 6.677 . . 2 . . . A 65 ASN HD22 . 11540 1 624 . 1 1 65 65 ASN CA C 13 53.433 . . 1 . . . A 65 ASN CA . 11540 1 625 . 1 1 65 65 ASN CB C 13 41.302 . . 1 . . . A 65 ASN CB . 11540 1 626 . 1 1 65 65 ASN N N 15 115.227 . . 1 . . . A 65 ASN N . 11540 1 627 . 1 1 65 65 ASN ND2 N 15 110.856 . . 1 . . . A 65 ASN ND2 . 11540 1 628 . 1 1 66 66 CYS H H 1 7.648 . . 1 . . . A 66 CYS H . 11540 1 629 . 1 1 66 66 CYS HA H 1 4.636 . . 1 . . . A 66 CYS HA . 11540 1 630 . 1 1 66 66 CYS HB2 H 1 3.046 . . 2 . . . A 66 CYS HB2 . 11540 1 631 . 1 1 66 66 CYS HB3 H 1 3.046 . . 2 . . . A 66 CYS HB3 . 11540 1 632 . 1 1 66 66 CYS CA C 13 55.553 . . 1 . . . A 66 CYS CA . 11540 1 633 . 1 1 66 66 CYS CB C 13 37.796 . . 1 . . . A 66 CYS CB . 11540 1 634 . 1 1 66 66 CYS N N 15 119.848 . . 1 . . . A 66 CYS N . 11540 1 635 . 1 1 68 68 PRO HA H 1 4.447 . . 1 . . . A 68 PRO HA . 11540 1 636 . 1 1 68 68 PRO HB2 H 1 2.311 . . 2 . . . A 68 PRO HB2 . 11540 1 637 . 1 1 68 68 PRO HB3 H 1 1.979 . . 2 . . . A 68 PRO HB3 . 11540 1 638 . 1 1 68 68 PRO HG2 H 1 2.033 . . 2 . . . A 68 PRO HG2 . 11540 1 639 . 1 1 68 68 PRO HG3 H 1 2.033 . . 2 . . . A 68 PRO HG3 . 11540 1 640 . 1 1 68 68 PRO HD2 H 1 3.910 . . 2 . . . A 68 PRO HD2 . 11540 1 641 . 1 1 68 68 PRO HD3 H 1 3.648 . . 2 . . . A 68 PRO HD3 . 11540 1 642 . 1 1 68 68 PRO CA C 13 62.822 . . 1 . . . A 68 PRO CA . 11540 1 643 . 1 1 68 68 PRO CB C 13 32.181 . . 1 . . . A 68 PRO CB . 11540 1 644 . 1 1 68 68 PRO CG C 13 27.131 . . 1 . . . A 68 PRO CG . 11540 1 645 . 1 1 68 68 PRO CD C 13 50.554 . . 1 . . . A 68 PRO CD . 11540 1 646 . 1 1 69 69 LEU H H 1 8.413 . . 1 . . . A 69 LEU H . 11540 1 647 . 1 1 69 69 LEU HA H 1 4.316 . . 1 . . . A 69 LEU HA . 11540 1 648 . 1 1 69 69 LEU HB2 H 1 1.641 . . 2 . . . A 69 LEU HB2 . 11540 1 649 . 1 1 69 69 LEU HB3 H 1 1.641 . . 2 . . . A 69 LEU HB3 . 11540 1 650 . 1 1 69 69 LEU HD11 H 1 0.900 . . 2 . . . A 69 LEU HD11 . 11540 1 651 . 1 1 69 69 LEU HD12 H 1 0.900 . . 2 . . . A 69 LEU HD12 . 11540 1 652 . 1 1 69 69 LEU HD13 H 1 0.900 . . 2 . . . A 69 LEU HD13 . 11540 1 653 . 1 1 69 69 LEU HD21 H 1 0.900 . . 2 . . . A 69 LEU HD21 . 11540 1 654 . 1 1 69 69 LEU HD22 H 1 0.900 . . 2 . . . A 69 LEU HD22 . 11540 1 655 . 1 1 69 69 LEU HD23 H 1 0.900 . . 2 . . . A 69 LEU HD23 . 11540 1 656 . 1 1 69 69 LEU CA C 13 55.181 . . 1 . . . A 69 LEU CA . 11540 1 657 . 1 1 69 69 LEU CB C 13 42.443 . . 1 . . . A 69 LEU CB . 11540 1 658 . 1 1 69 69 LEU CD1 C 13 23.708 . . 2 . . . A 69 LEU CD1 . 11540 1 659 . 1 1 69 69 LEU CD2 C 13 24.743 . . 2 . . . A 69 LEU CD2 . 11540 1 660 . 1 1 69 69 LEU N N 15 122.074 . . 1 . . . A 69 LEU N . 11540 1 661 . 1 1 70 70 GLU H H 1 7.877 . . 1 . . . A 70 GLU H . 11540 1 662 . 1 1 70 70 GLU HA H 1 4.292 . . 1 . . . A 70 GLU HA . 11540 1 663 . 1 1 70 70 GLU HB2 H 1 2.111 . . 2 . . . A 70 GLU HB2 . 11540 1 664 . 1 1 70 70 GLU HB3 H 1 1.935 . . 2 . . . A 70 GLU HB3 . 11540 1 665 . 1 1 70 70 GLU HG2 H 1 2.337 . . 2 . . . A 70 GLU HG2 . 11540 1 666 . 1 1 70 70 GLU N N 15 124.517 . . 1 . . . A 70 GLU N . 11540 1 stop_ save_