data_30858 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30858 _Entry.Title ; Structure of Nedd4L WW3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-11 _Entry.Accession_date 2021-02-11 _Entry.Last_release_date 2021-02-14 _Entry.Original_release_date 2021-02-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 S. Alam S. L. . . 30858 2 A. Alian A. . . . 30858 3 T. Thompson T. . . . 30858 4 L. Rheinemann L. . . . 30858 5 W. Sundquist W. I. . . 30858 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 Ubiquitin ligase' . 30858 LIGASE . 30858 Nedd4L . 30858 'PPxY binding' . 30858 'WW domain' . 30858 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30858 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 30858 '15N chemical shifts' 66 30858 '1H chemical shifts' 444 30858 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 . . 2021-09-21 2021-02-11 update BMRB 'update entry citation' 30858 1 . . 2021-07-15 2021-02-11 original author 'original release' 30858 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7LP5 'BMRB Entry Tracking System' 30858 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30858 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34284061 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 297 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _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 100975 _Citation.Page_last 100975 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lara Rheinemann L. . . . 30858 1 2 Tuscan Thompson T. . . . 30858 1 3 Gaelle Mercenne G. . . . 30858 1 4 Elliott Paine E. L. . . 30858 1 5 Francis Peterson F. C. . . 30858 1 6 Brian Volkman B. F. . . 30858 1 7 Steven Alam S. L. . . 30858 1 8 Akram Alian A. . . . 30858 1 9 Wesley Sundquist W. I. . . 30858 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30858 _Assembly.ID 1 _Assembly.Name 'Angiomotin,E3 ubiquitin-protein ligase NEDD4-like fusion (E.C.2.3.2.26)' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 30858 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30858 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MQNNEELPTYEEAKVGGGGG SKVTQSFLPPGWEMRIAPNG RPFFIDHNTKTTTWEDPRLK FPVHMRSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.3.2.26 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7756.744 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HECT-type E3 ubiquitin transferase NED4L' common 30858 1 NEDD4.2 common 30858 1 Nedd4-2 common 30858 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30858 1 2 . GLN . 30858 1 3 . ASN . 30858 1 4 . ASN . 30858 1 5 . GLU . 30858 1 6 . GLU . 30858 1 7 . LEU . 30858 1 8 . PRO . 30858 1 9 . THR . 30858 1 10 . TYR . 30858 1 11 . GLU . 30858 1 12 . GLU . 30858 1 13 . ALA . 30858 1 14 . LYS . 30858 1 15 . VAL . 30858 1 16 . GLY . 30858 1 17 . GLY . 30858 1 18 . GLY . 30858 1 19 . GLY . 30858 1 20 . GLY . 30858 1 21 . SER . 30858 1 22 . LYS . 30858 1 23 . VAL . 30858 1 24 . THR . 30858 1 25 . GLN . 30858 1 26 . SER . 30858 1 27 . PHE . 30858 1 28 . LEU . 30858 1 29 . PRO . 30858 1 30 . PRO . 30858 1 31 . GLY . 30858 1 32 . TRP . 30858 1 33 . GLU . 30858 1 34 . MET . 30858 1 35 . ARG . 30858 1 36 . ILE . 30858 1 37 . ALA . 30858 1 38 . PRO . 30858 1 39 . ASN . 30858 1 40 . GLY . 30858 1 41 . ARG . 30858 1 42 . PRO . 30858 1 43 . PHE . 30858 1 44 . PHE . 30858 1 45 . ILE . 30858 1 46 . ASP . 30858 1 47 . HIS . 30858 1 48 . ASN . 30858 1 49 . THR . 30858 1 50 . LYS . 30858 1 51 . THR . 30858 1 52 . THR . 30858 1 53 . THR . 30858 1 54 . TRP . 30858 1 55 . GLU . 30858 1 56 . ASP . 30858 1 57 . PRO . 30858 1 58 . ARG . 30858 1 59 . LEU . 30858 1 60 . LYS . 30858 1 61 . PHE . 30858 1 62 . PRO . 30858 1 63 . VAL . 30858 1 64 . HIS . 30858 1 65 . MET . 30858 1 66 . ARG . 30858 1 67 . SER . 30858 1 68 . LYS . 30858 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30858 1 . GLN 2 2 30858 1 . ASN 3 3 30858 1 . ASN 4 4 30858 1 . GLU 5 5 30858 1 . GLU 6 6 30858 1 . LEU 7 7 30858 1 . PRO 8 8 30858 1 . THR 9 9 30858 1 . TYR 10 10 30858 1 . GLU 11 11 30858 1 . GLU 12 12 30858 1 . ALA 13 13 30858 1 . LYS 14 14 30858 1 . VAL 15 15 30858 1 . GLY 16 16 30858 1 . GLY 17 17 30858 1 . GLY 18 18 30858 1 . GLY 19 19 30858 1 . GLY 20 20 30858 1 . SER 21 21 30858 1 . LYS 22 22 30858 1 . VAL 23 23 30858 1 . THR 24 24 30858 1 . GLN 25 25 30858 1 . SER 26 26 30858 1 . PHE 27 27 30858 1 . LEU 28 28 30858 1 . PRO 29 29 30858 1 . PRO 30 30 30858 1 . GLY 31 31 30858 1 . TRP 32 32 30858 1 . GLU 33 33 30858 1 . MET 34 34 30858 1 . ARG 35 35 30858 1 . ILE 36 36 30858 1 . ALA 37 37 30858 1 . PRO 38 38 30858 1 . ASN 39 39 30858 1 . GLY 40 40 30858 1 . ARG 41 41 30858 1 . PRO 42 42 30858 1 . PHE 43 43 30858 1 . PHE 44 44 30858 1 . ILE 45 45 30858 1 . ASP 46 46 30858 1 . HIS 47 47 30858 1 . ASN 48 48 30858 1 . THR 49 49 30858 1 . LYS 50 50 30858 1 . THR 51 51 30858 1 . THR 52 52 30858 1 . THR 53 53 30858 1 . TRP 54 54 30858 1 . GLU 55 55 30858 1 . ASP 56 56 30858 1 . PRO 57 57 30858 1 . ARG 58 58 30858 1 . LEU 59 59 30858 1 . LYS 60 60 30858 1 . PHE 61 61 30858 1 . PRO 62 62 30858 1 . VAL 63 63 30858 1 . HIS 64 64 30858 1 . MET 65 65 30858 1 . ARG 66 66 30858 1 . SER 67 67 30858 1 . LYS 68 68 30858 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 30858 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'AMOT, KIAA1071; NEDD4L, KIAA0439, NEDL3' . 30858 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 30858 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30858 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30858 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '[U-100% 13C; U-100% 15N] , 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% 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 'Angiomotin,E3 ubiquitin-protein ligase NEDD4-like fusion' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . . . . mM . . . . 30858 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30858 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30858 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30858 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; [U-100% 15N] Angiomotin,E3 ubiquitin-protein ligase NEDD4-like fusion, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% 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 'Angiomotin,E3 ubiquitin-protein ligase NEDD4-like fusion' '[U-100% 15N]' . . 1 $entity_1 . . . . . mM . . . . 30858 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30858 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30858 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 30858 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 30858 1 pH 7.5 . pH 30858 1 pressure 1 . atm 30858 1 temperature 298 . K 30858 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30858 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30858 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30858 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30858 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30858 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30858 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30858 _Software.ID 3 _Software.Type . _Software.Name Felix _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 30858 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30858 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30858 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30858 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30858 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 30858 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Varian INOVA . 600 . . . 30858 1 2 NMR_spectrometer_2 Varian INOVA . 900 . . . 30858 1 3 NMR_spectrometer_3 Varian INOVA . 800 . . . 30858 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 30858 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 5 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 8 '3D HNHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 9 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30858 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30858 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30858 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30858 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30858 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30858 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30858 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30858 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 30858 1 2 '2D 1H-15N HSQC' . . . 30858 1 3 '3D HNCO' . . . 30858 1 4 '3D HNCACB' . . . 30858 1 5 '3D C(CO)NH' . . . 30858 1 6 '3D H(CCO)NH' . . . 30858 1 7 '3D HCCH-TOCSY' . . . 30858 1 8 '3D HNHB' . . . 30858 1 9 '3D HNHA' . . . 30858 1 10 '3D CBCA(CO)NH' . . . 30858 1 11 '2D 1H-13C HSQC aliphatic' . . . 30858 1 12 '2D 1H-13C HSQC aromatic' . . . 30858 1 13 '3D 1H-15N NOESY' . . . 30858 1 14 '3D 1H-13C NOESY aliphatic' . . . 30858 1 15 '3D 1H-13C NOESY aromatic' . . . 30858 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 MET HA H 1 4.010 0.000 . . . . . . A 1 MET HA . 30858 1 2 . 1 . 1 1 1 MET HB2 H 1 2.101 0.000 . . . . . . A 1 MET HB2 . 30858 1 3 . 1 . 1 1 1 MET HB3 H 1 2.101 0.000 . . . . . . A 1 MET HB3 . 30858 1 4 . 1 . 1 1 1 MET HG2 H 1 2.576 0.000 . . . . . . A 1 MET HG2 . 30858 1 5 . 1 . 1 1 1 MET HG3 H 1 2.576 0.000 . . . . . . A 1 MET HG3 . 30858 1 6 . 1 . 1 1 1 MET CA C 13 55.168 0.005 . . . . . . A 1 MET CA . 30858 1 7 . 1 . 1 1 1 MET CB C 13 33.396 0.000 . . . . . . A 1 MET CB . 30858 1 8 . 1 . 1 1 1 MET CG C 13 30.951 0.000 . . . . . . A 1 MET CG . 30858 1 9 . 1 . 1 2 2 GLN HA H 1 0.000 0.005 . . . . . . A 2 GLN HA . 30858 1 10 . 1 . 1 2 2 GLN HB2 H 1 0.000 0.000 . . . . . . A 2 GLN HB2 . 30858 1 11 . 1 . 1 2 2 GLN HB3 H 1 0.000 0.000 . . . . . . A 2 GLN HB3 . 30858 1 12 . 1 . 1 2 2 GLN HG2 H 1 0.000 0.020 . . . . . . A 2 GLN HG2 . 30858 1 13 . 1 . 1 2 2 GLN HG3 H 1 0.000 0.020 . . . . . . A 2 GLN HG3 . 30858 1 14 . 1 . 1 2 2 GLN HE21 H 1 0.000 0.000 . . . . . . A 2 GLN HE21 . 30858 1 15 . 1 . 1 2 2 GLN HE22 H 1 0.000 0.000 . . . . . . A 2 GLN HE22 . 30858 1 16 . 1 . 1 2 2 GLN C C 13 175.156 0.000 . . . . . . A 2 GLN C . 30858 1 17 . 1 . 1 2 2 GLN CA C 13 55.758 0.012 . . . . . . A 2 GLN CA . 30858 1 18 . 1 . 1 2 2 GLN CB C 13 29.306 0.115 . . . . . . A 2 GLN CB . 30858 1 19 . 1 . 1 2 2 GLN CG C 13 33.512 0.062 . . . . . . A 2 GLN CG . 30858 1 20 . 1 . 1 2 2 GLN NE2 N 15 112.058 0.006 . . . . . . A 2 GLN NE2 . 30858 1 21 . 1 . 1 3 3 ASN H H 1 8.660 0.003 . . . . . . A 3 ASN H . 30858 1 22 . 1 . 1 3 3 ASN HA H 1 4.699 0.005 . . . . . . A 3 ASN HA . 30858 1 23 . 1 . 1 3 3 ASN HB2 H 1 2.801 0.004 . . . . . . A 3 ASN HB2 . 30858 1 24 . 1 . 1 3 3 ASN HD21 H 1 7.635 0.000 . . . . . . A 3 ASN HD21 . 30858 1 25 . 1 . 1 3 3 ASN HD22 H 1 6.926 0.000 . . . . . . A 3 ASN HD22 . 30858 1 26 . 1 . 1 3 3 ASN C C 13 175.114 0.000 . . . . . . A 3 ASN C . 30858 1 27 . 1 . 1 3 3 ASN CA C 13 53.163 0.021 . . . . . . A 3 ASN CA . 30858 1 28 . 1 . 1 3 3 ASN CB C 13 38.657 0.024 . . . . . . A 3 ASN CB . 30858 1 29 . 1 . 1 3 3 ASN N N 15 120.477 0.035 . . . . . . A 3 ASN N . 30858 1 30 . 1 . 1 3 3 ASN ND2 N 15 112.835 0.000 . . . . . . A 3 ASN ND2 . 30858 1 31 . 1 . 1 4 4 ASN H H 1 8.618 0.003 . . . . . . A 4 ASN H . 30858 1 32 . 1 . 1 4 4 ASN HA H 1 4.709 0.004 . . . . . . A 4 ASN HA . 30858 1 33 . 1 . 1 4 4 ASN HB2 H 1 2.849 0.021 . . . . . . A 4 ASN HB2 . 30858 1 34 . 1 . 1 4 4 ASN HB3 H 1 2.849 0.021 . . . . . . A 4 ASN HB3 . 30858 1 35 . 1 . 1 4 4 ASN HD21 H 1 6.895 0.000 . . . . . . A 4 ASN HD21 . 30858 1 36 . 1 . 1 4 4 ASN HD22 H 1 7.598 0.000 . . . . . . A 4 ASN HD22 . 30858 1 37 . 1 . 1 4 4 ASN C C 13 175.347 0.000 . . . . . . A 4 ASN C . 30858 1 38 . 1 . 1 4 4 ASN CA C 13 53.593 0.025 . . . . . . A 4 ASN CA . 30858 1 39 . 1 . 1 4 4 ASN CB C 13 38.632 0.023 . . . . . . A 4 ASN CB . 30858 1 40 . 1 . 1 4 4 ASN N N 15 120.015 0.031 . . . . . . A 4 ASN N . 30858 1 41 . 1 . 1 4 4 ASN ND2 N 15 112.547 0.006 . . . . . . A 4 ASN ND2 . 30858 1 42 . 1 . 1 5 5 GLU H H 1 8.466 0.003 . . . . . . A 5 GLU H . 30858 1 43 . 1 . 1 5 5 GLU HA H 1 4.314 0.005 . . . . . . A 5 GLU HA . 30858 1 44 . 1 . 1 5 5 GLU HB2 H 1 1.978 0.000 . . . . . . A 5 GLU HB2 . 30858 1 45 . 1 . 1 5 5 GLU HB3 H 1 1.978 0.000 . . . . . . A 5 GLU HB3 . 30858 1 46 . 1 . 1 5 5 GLU HG2 H 1 2.263 0.013 . . . . . . A 5 GLU HG2 . 30858 1 47 . 1 . 1 5 5 GLU HG3 H 1 2.263 0.013 . . . . . . A 5 GLU HG3 . 30858 1 48 . 1 . 1 5 5 GLU C C 13 176.377 0.000 . . . . . . A 5 GLU C . 30858 1 49 . 1 . 1 5 5 GLU CA C 13 56.607 0.017 . . . . . . A 5 GLU CA . 30858 1 50 . 1 . 1 5 5 GLU CB C 13 29.667 0.205 . . . . . . A 5 GLU CB . 30858 1 51 . 1 . 1 5 5 GLU CG C 13 36.193 0.011 . . . . . . A 5 GLU CG . 30858 1 52 . 1 . 1 5 5 GLU N N 15 120.300 0.030 . . . . . . A 5 GLU N . 30858 1 53 . 1 . 1 6 6 GLU H H 1 8.191 0.003 . . . . . . A 6 GLU H . 30858 1 54 . 1 . 1 6 6 GLU HA H 1 4.188 0.002 . . . . . . A 6 GLU HA . 30858 1 55 . 1 . 1 6 6 GLU HB2 H 1 2.047 0.009 . . . . . . A 6 GLU HB2 . 30858 1 56 . 1 . 1 6 6 GLU HB3 H 1 2.047 0.009 . . . . . . A 6 GLU HB3 . 30858 1 57 . 1 . 1 6 6 GLU HG2 H 1 2.226 0.014 . . . . . . A 6 GLU HG2 . 30858 1 58 . 1 . 1 6 6 GLU HG3 H 1 2.226 0.014 . . . . . . A 6 GLU HG3 . 30858 1 59 . 1 . 1 6 6 GLU C C 13 175.139 0.000 . . . . . . A 6 GLU C . 30858 1 60 . 1 . 1 6 6 GLU CA C 13 56.618 0.104 . . . . . . A 6 GLU CA . 30858 1 61 . 1 . 1 6 6 GLU CB C 13 29.940 0.053 . . . . . . A 6 GLU CB . 30858 1 62 . 1 . 1 6 6 GLU CG C 13 36.599 0.004 . . . . . . A 6 GLU CG . 30858 1 63 . 1 . 1 6 6 GLU N N 15 119.603 0.019 . . . . . . A 6 GLU N . 30858 1 64 . 1 . 1 7 7 LEU H H 1 7.890 0.003 . . . . . . A 7 LEU H . 30858 1 65 . 1 . 1 7 7 LEU HA H 1 3.728 0.000 . . . . . . A 7 LEU HA . 30858 1 66 . 1 . 1 7 7 LEU HB2 H 1 0.818 0.004 . . . . . . A 7 LEU HB2 . 30858 1 67 . 1 . 1 7 7 LEU HB3 H 1 1.415 0.002 . . . . . . A 7 LEU HB3 . 30858 1 68 . 1 . 1 7 7 LEU HD11 H 1 -0.723 0.005 . . . . . . A 7 LEU HD11 . 30858 1 69 . 1 . 1 7 7 LEU HD12 H 1 -0.723 0.005 . . . . . . A 7 LEU HD12 . 30858 1 70 . 1 . 1 7 7 LEU HD13 H 1 -0.723 0.005 . . . . . . A 7 LEU HD13 . 30858 1 71 . 1 . 1 7 7 LEU HD21 H 1 0.220 0.001 . . . . . . A 7 LEU HD21 . 30858 1 72 . 1 . 1 7 7 LEU HD22 H 1 0.220 0.001 . . . . . . A 7 LEU HD22 . 30858 1 73 . 1 . 1 7 7 LEU HD23 H 1 0.220 0.001 . . . . . . A 7 LEU HD23 . 30858 1 74 . 1 . 1 7 7 LEU CA C 13 51.866 0.010 . . . . . . A 7 LEU CA . 30858 1 75 . 1 . 1 7 7 LEU CB C 13 42.090 0.007 . . . . . . A 7 LEU CB . 30858 1 76 . 1 . 1 7 7 LEU CD1 C 13 21.703 0.044 . . . . . . A 7 LEU CD1 . 30858 1 77 . 1 . 1 7 7 LEU CD2 C 13 25.856 0.000 . . . . . . A 7 LEU CD2 . 30858 1 78 . 1 . 1 7 7 LEU N N 15 125.310 0.025 . . . . . . A 7 LEU N . 30858 1 79 . 1 . 1 8 8 PRO HA H 1 4.237 0.005 . . . . . . A 8 PRO HA . 30858 1 80 . 1 . 1 8 8 PRO HB2 H 1 1.186 0.003 . . . . . . A 8 PRO HB2 . 30858 1 81 . 1 . 1 8 8 PRO HB3 H 1 1.961 0.002 . . . . . . A 8 PRO HB3 . 30858 1 82 . 1 . 1 8 8 PRO HG2 H 1 1.475 0.007 . . . . . . A 8 PRO HG2 . 30858 1 83 . 1 . 1 8 8 PRO HG3 H 1 1.224 0.016 . . . . . . A 8 PRO HG3 . 30858 1 84 . 1 . 1 8 8 PRO HD2 H 1 3.602 0.006 . . . . . . A 8 PRO HD2 . 30858 1 85 . 1 . 1 8 8 PRO HD3 H 1 1.636 0.008 . . . . . . A 8 PRO HD3 . 30858 1 86 . 1 . 1 8 8 PRO C C 13 175.569 0.000 . . . . . . A 8 PRO C . 30858 1 87 . 1 . 1 8 8 PRO CA C 13 62.260 0.028 . . . . . . A 8 PRO CA . 30858 1 88 . 1 . 1 8 8 PRO CB C 13 31.888 0.056 . . . . . . A 8 PRO CB . 30858 1 89 . 1 . 1 8 8 PRO CG C 13 27.758 0.051 . . . . . . A 8 PRO CG . 30858 1 90 . 1 . 1 8 8 PRO CD C 13 49.950 0.056 . . . . . . A 8 PRO CD . 30858 1 91 . 1 . 1 9 9 THR H H 1 8.357 0.003 . . . . . . A 9 THR H . 30858 1 92 . 1 . 1 9 9 THR HA H 1 4.151 0.006 . . . . . . A 9 THR HA . 30858 1 93 . 1 . 1 9 9 THR HB H 1 4.688 0.005 . . . . . . A 9 THR HB . 30858 1 94 . 1 . 1 9 9 THR HG21 H 1 1.297 0.006 . . . . . . A 9 THR HG21 . 30858 1 95 . 1 . 1 9 9 THR HG22 H 1 1.297 0.006 . . . . . . A 9 THR HG22 . 30858 1 96 . 1 . 1 9 9 THR HG23 H 1 1.297 0.006 . . . . . . A 9 THR HG23 . 30858 1 97 . 1 . 1 9 9 THR C C 13 174.639 0.000 . . . . . . A 9 THR C . 30858 1 98 . 1 . 1 9 9 THR CA C 13 60.604 0.061 . . . . . . A 9 THR CA . 30858 1 99 . 1 . 1 9 9 THR CB C 13 70.825 0.022 . . . . . . A 9 THR CB . 30858 1 100 . 1 . 1 9 9 THR CG2 C 13 21.787 0.048 . . . . . . A 9 THR CG2 . 30858 1 101 . 1 . 1 9 9 THR N N 15 113.494 0.025 . . . . . . A 9 THR N . 30858 1 102 . 1 . 1 10 10 TYR H H 1 9.235 0.010 . . . . . . A 10 TYR H . 30858 1 103 . 1 . 1 10 10 TYR HA H 1 3.477 0.008 . . . . . . A 10 TYR HA . 30858 1 104 . 1 . 1 10 10 TYR HB2 H 1 2.766 0.004 . . . . . . A 10 TYR HB2 . 30858 1 105 . 1 . 1 10 10 TYR HB3 H 1 2.548 0.009 . . . . . . A 10 TYR HB3 . 30858 1 106 . 1 . 1 10 10 TYR HD1 H 1 6.709 0.005 . . . . . . A 10 TYR HD1 . 30858 1 107 . 1 . 1 10 10 TYR HD2 H 1 6.709 0.005 . . . . . . A 10 TYR HD2 . 30858 1 108 . 1 . 1 10 10 TYR HE1 H 1 6.430 0.010 . . . . . . A 10 TYR HE1 . 30858 1 109 . 1 . 1 10 10 TYR HE2 H 1 6.430 0.010 . . . . . . A 10 TYR HE2 . 30858 1 110 . 1 . 1 10 10 TYR C C 13 176.895 0.000 . . . . . . A 10 TYR C . 30858 1 111 . 1 . 1 10 10 TYR CA C 13 63.306 0.015 . . . . . . A 10 TYR CA . 30858 1 112 . 1 . 1 10 10 TYR CB C 13 38.838 0.030 . . . . . . A 10 TYR CB . 30858 1 113 . 1 . 1 10 10 TYR CD1 C 13 133.312 0.000 . . . . . . A 10 TYR CD1 . 30858 1 114 . 1 . 1 10 10 TYR CE1 C 13 118.386 0.078 . . . . . . A 10 TYR CE1 . 30858 1 115 . 1 . 1 10 10 TYR N N 15 121.482 0.026 . . . . . . A 10 TYR N . 30858 1 116 . 1 . 1 11 11 GLU H H 1 8.423 0.003 . . . . . . A 11 GLU H . 30858 1 117 . 1 . 1 11 11 GLU HA H 1 3.784 0.005 . . . . . . A 11 GLU HA . 30858 1 118 . 1 . 1 11 11 GLU HB2 H 1 1.950 0.005 . . . . . . A 11 GLU HB2 . 30858 1 119 . 1 . 1 11 11 GLU HB3 H 1 1.950 0.005 . . . . . . A 11 GLU HB3 . 30858 1 120 . 1 . 1 11 11 GLU HG2 H 1 2.407 0.012 . . . . . . A 11 GLU HG2 . 30858 1 121 . 1 . 1 11 11 GLU HG3 H 1 2.328 0.010 . . . . . . A 11 GLU HG3 . 30858 1 122 . 1 . 1 11 11 GLU C C 13 179.102 0.000 . . . . . . A 11 GLU C . 30858 1 123 . 1 . 1 11 11 GLU CA C 13 59.334 0.010 . . . . . . A 11 GLU CA . 30858 1 124 . 1 . 1 11 11 GLU CB C 13 29.114 0.048 . . . . . . A 11 GLU CB . 30858 1 125 . 1 . 1 11 11 GLU CG C 13 36.451 0.012 . . . . . . A 11 GLU CG . 30858 1 126 . 1 . 1 11 11 GLU N N 15 116.264 0.017 . . . . . . A 11 GLU N . 30858 1 127 . 1 . 1 12 12 GLU H H 1 7.537 0.003 . . . . . . A 12 GLU H . 30858 1 128 . 1 . 1 12 12 GLU HA H 1 3.915 0.005 . . . . . . A 12 GLU HA . 30858 1 129 . 1 . 1 12 12 GLU HB2 H 1 2.093 0.006 . . . . . . A 12 GLU HB2 . 30858 1 130 . 1 . 1 12 12 GLU HB3 H 1 1.829 0.004 . . . . . . A 12 GLU HB3 . 30858 1 131 . 1 . 1 12 12 GLU HG2 H 1 2.207 0.005 . . . . . . A 12 GLU HG2 . 30858 1 132 . 1 . 1 12 12 GLU HG3 H 1 2.207 0.005 . . . . . . A 12 GLU HG3 . 30858 1 133 . 1 . 1 12 12 GLU C C 13 178.976 0.000 . . . . . . A 12 GLU C . 30858 1 134 . 1 . 1 12 12 GLU CA C 13 58.180 0.016 . . . . . . A 12 GLU CA . 30858 1 135 . 1 . 1 12 12 GLU CB C 13 29.684 0.038 . . . . . . A 12 GLU CB . 30858 1 136 . 1 . 1 12 12 GLU CG C 13 36.858 0.013 . . . . . . A 12 GLU CG . 30858 1 137 . 1 . 1 12 12 GLU N N 15 118.849 0.035 . . . . . . A 12 GLU N . 30858 1 138 . 1 . 1 13 13 ALA H H 1 8.309 0.003 . . . . . . A 13 ALA H . 30858 1 139 . 1 . 1 13 13 ALA HA H 1 4.119 0.001 . . . . . . A 13 ALA HA . 30858 1 140 . 1 . 1 13 13 ALA HB1 H 1 1.239 0.008 . . . . . . A 13 ALA HB1 . 30858 1 141 . 1 . 1 13 13 ALA HB2 H 1 1.239 0.008 . . . . . . A 13 ALA HB2 . 30858 1 142 . 1 . 1 13 13 ALA HB3 H 1 1.239 0.008 . . . . . . A 13 ALA HB3 . 30858 1 143 . 1 . 1 13 13 ALA C C 13 178.516 0.000 . . . . . . A 13 ALA C . 30858 1 144 . 1 . 1 13 13 ALA CA C 13 53.248 0.006 . . . . . . A 13 ALA CA . 30858 1 145 . 1 . 1 13 13 ALA CB C 13 18.196 0.017 . . . . . . A 13 ALA CB . 30858 1 146 . 1 . 1 13 13 ALA N N 15 121.272 0.036 . . . . . . A 13 ALA N . 30858 1 147 . 1 . 1 14 14 LYS H H 1 7.685 0.003 . . . . . . A 14 LYS H . 30858 1 148 . 1 . 1 14 14 LYS HA H 1 3.909 0.006 . . . . . . A 14 LYS HA . 30858 1 149 . 1 . 1 14 14 LYS HB2 H 1 1.596 0.007 . . . . . . A 14 LYS HB2 . 30858 1 150 . 1 . 1 14 14 LYS HB3 H 1 1.596 0.007 . . . . . . A 14 LYS HB3 . 30858 1 151 . 1 . 1 14 14 LYS HG2 H 1 1.273 0.006 . . . . . . A 14 LYS HG2 . 30858 1 152 . 1 . 1 14 14 LYS HG3 H 1 1.273 0.006 . . . . . . A 14 LYS HG3 . 30858 1 153 . 1 . 1 14 14 LYS HD2 H 1 1.659 0.000 . . . . . . A 14 LYS HD2 . 30858 1 154 . 1 . 1 14 14 LYS HD3 H 1 1.659 0.000 . . . . . . A 14 LYS HD3 . 30858 1 155 . 1 . 1 14 14 LYS HE2 H 1 2.920 0.005 . . . . . . A 14 LYS HE2 . 30858 1 156 . 1 . 1 14 14 LYS HE3 H 1 2.920 0.005 . . . . . . A 14 LYS HE3 . 30858 1 157 . 1 . 1 14 14 LYS C C 13 177.409 0.000 . . . . . . A 14 LYS C . 30858 1 158 . 1 . 1 14 14 LYS CA C 13 57.936 0.021 . . . . . . A 14 LYS CA . 30858 1 159 . 1 . 1 14 14 LYS CB C 13 31.911 0.014 . . . . . . A 14 LYS CB . 30858 1 160 . 1 . 1 14 14 LYS CG C 13 24.248 0.104 . . . . . . A 14 LYS CG . 30858 1 161 . 1 . 1 14 14 LYS CD C 13 29.056 0.038 . . . . . . A 14 LYS CD . 30858 1 162 . 1 . 1 14 14 LYS CE C 13 41.834 0.021 . . . . . . A 14 LYS CE . 30858 1 163 . 1 . 1 14 14 LYS N N 15 117.430 0.021 . . . . . . A 14 LYS N . 30858 1 164 . 1 . 1 15 15 VAL H H 1 7.344 0.002 . . . . . . A 15 VAL H . 30858 1 165 . 1 . 1 15 15 VAL HA H 1 4.071 0.006 . . . . . . A 15 VAL HA . 30858 1 166 . 1 . 1 15 15 VAL HB H 1 2.148 0.003 . . . . . . A 15 VAL HB . 30858 1 167 . 1 . 1 15 15 VAL HG11 H 1 0.914 0.000 . . . . . . A 15 VAL HG11 . 30858 1 168 . 1 . 1 15 15 VAL HG12 H 1 0.914 0.000 . . . . . . A 15 VAL HG12 . 30858 1 169 . 1 . 1 15 15 VAL HG13 H 1 0.914 0.000 . . . . . . A 15 VAL HG13 . 30858 1 170 . 1 . 1 15 15 VAL HG21 H 1 0.945 0.000 . . . . . . A 15 VAL HG21 . 30858 1 171 . 1 . 1 15 15 VAL HG22 H 1 0.945 0.000 . . . . . . A 15 VAL HG22 . 30858 1 172 . 1 . 1 15 15 VAL HG23 H 1 0.945 0.000 . . . . . . A 15 VAL HG23 . 30858 1 173 . 1 . 1 15 15 VAL C C 13 176.762 0.000 . . . . . . A 15 VAL C . 30858 1 174 . 1 . 1 15 15 VAL CA C 13 62.612 0.019 . . . . . . A 15 VAL CA . 30858 1 175 . 1 . 1 15 15 VAL CB C 13 32.045 0.021 . . . . . . A 15 VAL CB . 30858 1 176 . 1 . 1 15 15 VAL CG1 C 13 20.966 0.037 . . . . . . A 15 VAL CG1 . 30858 1 177 . 1 . 1 15 15 VAL CG2 C 13 20.353 0.000 . . . . . . A 15 VAL CG2 . 30858 1 178 . 1 . 1 15 15 VAL N N 15 116.374 0.027 . . . . . . A 15 VAL N . 30858 1 179 . 1 . 1 16 16 GLY H H 1 8.078 0.003 . . . . . . A 16 GLY H . 30858 1 180 . 1 . 1 16 16 GLY HA2 H 1 3.406 0.000 . . . . . . A 16 GLY HA2 . 30858 1 181 . 1 . 1 16 16 GLY HA3 H 1 2.759 0.000 . . . . . . A 16 GLY HA3 . 30858 1 182 . 1 . 1 16 16 GLY CA C 13 45.205 0.006 . . . . . . A 16 GLY CA . 30858 1 183 . 1 . 1 16 16 GLY N N 15 110.598 0.021 . . . . . . A 16 GLY N . 30858 1 184 . 1 . 1 19 19 GLY C C 13 174.604 0.000 . . . . . . A 19 GLY C . 30858 1 185 . 1 . 1 19 19 GLY CA C 13 45.180 0.000 . . . . . . A 19 GLY CA . 30858 1 186 . 1 . 1 20 20 GLY H H 1 8.319 0.005 . . . . . . A 20 GLY H . 30858 1 187 . 1 . 1 20 20 GLY HA2 H 1 3.981 0.002 . . . . . . A 20 GLY HA2 . 30858 1 188 . 1 . 1 20 20 GLY HA3 H 1 3.981 0.002 . . . . . . A 20 GLY HA3 . 30858 1 189 . 1 . 1 20 20 GLY C C 13 174.150 0.000 . . . . . . A 20 GLY C . 30858 1 190 . 1 . 1 20 20 GLY CA C 13 45.014 0.035 . . . . . . A 20 GLY CA . 30858 1 191 . 1 . 1 20 20 GLY N N 15 108.548 0.016 . . . . . . A 20 GLY N . 30858 1 192 . 1 . 1 21 21 SER H H 1 8.275 0.004 . . . . . . A 21 SER H . 30858 1 193 . 1 . 1 21 21 SER HA H 1 4.445 0.009 . . . . . . A 21 SER HA . 30858 1 194 . 1 . 1 21 21 SER HB2 H 1 3.855 0.009 . . . . . . A 21 SER HB2 . 30858 1 195 . 1 . 1 21 21 SER HB3 H 1 3.855 0.009 . . . . . . A 21 SER HB3 . 30858 1 196 . 1 . 1 21 21 SER C C 13 174.527 0.000 . . . . . . A 21 SER C . 30858 1 197 . 1 . 1 21 21 SER CA C 13 58.234 0.036 . . . . . . A 21 SER CA . 30858 1 198 . 1 . 1 21 21 SER CB C 13 63.781 0.041 . . . . . . A 21 SER CB . 30858 1 199 . 1 . 1 21 21 SER N N 15 115.621 0.025 . . . . . . A 21 SER N . 30858 1 200 . 1 . 1 22 22 LYS H H 1 8.444 0.010 . . . . . . A 22 LYS H . 30858 1 201 . 1 . 1 22 22 LYS HA H 1 4.344 0.006 . . . . . . A 22 LYS HA . 30858 1 202 . 1 . 1 22 22 LYS HB2 H 1 1.856 0.000 . . . . . . A 22 LYS HB2 . 30858 1 203 . 1 . 1 22 22 LYS HB3 H 1 1.753 0.000 . . . . . . A 22 LYS HB3 . 30858 1 204 . 1 . 1 22 22 LYS HG2 H 1 1.383 0.008 . . . . . . A 22 LYS HG2 . 30858 1 205 . 1 . 1 22 22 LYS HG3 H 1 1.383 0.008 . . . . . . A 22 LYS HG3 . 30858 1 206 . 1 . 1 22 22 LYS HD2 H 1 1.979 0.561 . . . . . . A 22 LYS HD2 . 30858 1 207 . 1 . 1 22 22 LYS HD3 H 1 1.979 0.561 . . . . . . A 22 LYS HD3 . 30858 1 208 . 1 . 1 22 22 LYS HE2 H 1 2.970 0.000 . . . . . . A 22 LYS HE2 . 30858 1 209 . 1 . 1 22 22 LYS HE3 H 1 2.970 0.000 . . . . . . A 22 LYS HE3 . 30858 1 210 . 1 . 1 22 22 LYS C C 13 176.466 0.000 . . . . . . A 22 LYS C . 30858 1 211 . 1 . 1 22 22 LYS CA C 13 56.448 0.033 . . . . . . A 22 LYS CA . 30858 1 212 . 1 . 1 22 22 LYS CB C 13 32.681 0.006 . . . . . . A 22 LYS CB . 30858 1 213 . 1 . 1 22 22 LYS CG C 13 24.473 0.002 . . . . . . A 22 LYS CG . 30858 1 214 . 1 . 1 22 22 LYS CD C 13 28.876 0.040 . . . . . . A 22 LYS CD . 30858 1 215 . 1 . 1 22 22 LYS CE C 13 41.991 0.006 . . . . . . A 22 LYS CE . 30858 1 216 . 1 . 1 22 22 LYS N N 15 123.195 0.040 . . . . . . A 22 LYS N . 30858 1 217 . 1 . 1 23 23 VAL H H 1 8.069 0.003 . . . . . . A 23 VAL H . 30858 1 218 . 1 . 1 23 23 VAL HA H 1 4.221 0.007 . . . . . . A 23 VAL HA . 30858 1 219 . 1 . 1 23 23 VAL HB H 1 2.027 0.000 . . . . . . A 23 VAL HB . 30858 1 220 . 1 . 1 23 23 VAL HG11 H 1 0.854 0.000 . . . . . . A 23 VAL HG11 . 30858 1 221 . 1 . 1 23 23 VAL HG12 H 1 0.854 0.000 . . . . . . A 23 VAL HG12 . 30858 1 222 . 1 . 1 23 23 VAL HG13 H 1 0.854 0.000 . . . . . . A 23 VAL HG13 . 30858 1 223 . 1 . 1 23 23 VAL HG21 H 1 0.904 0.000 . . . . . . A 23 VAL HG21 . 30858 1 224 . 1 . 1 23 23 VAL HG22 H 1 0.904 0.000 . . . . . . A 23 VAL HG22 . 30858 1 225 . 1 . 1 23 23 VAL HG23 H 1 0.904 0.000 . . . . . . A 23 VAL HG23 . 30858 1 226 . 1 . 1 23 23 VAL C C 13 176.074 0.000 . . . . . . A 23 VAL C . 30858 1 227 . 1 . 1 23 23 VAL CA C 13 61.785 0.026 . . . . . . A 23 VAL CA . 30858 1 228 . 1 . 1 23 23 VAL CB C 13 32.908 0.027 . . . . . . A 23 VAL CB . 30858 1 229 . 1 . 1 23 23 VAL CG1 C 13 21.045 0.023 . . . . . . A 23 VAL CG1 . 30858 1 230 . 1 . 1 23 23 VAL CG2 C 13 20.450 0.013 . . . . . . A 23 VAL CG2 . 30858 1 231 . 1 . 1 23 23 VAL N N 15 120.818 0.031 . . . . . . A 23 VAL N . 30858 1 232 . 1 . 1 24 24 THR H H 1 8.299 0.003 . . . . . . A 24 THR H . 30858 1 233 . 1 . 1 24 24 THR HA H 1 4.322 0.007 . . . . . . A 24 THR HA . 30858 1 234 . 1 . 1 24 24 THR HB H 1 4.178 0.007 . . . . . . A 24 THR HB . 30858 1 235 . 1 . 1 24 24 THR HG21 H 1 1.218 0.006 . . . . . . A 24 THR HG21 . 30858 1 236 . 1 . 1 24 24 THR HG22 H 1 1.218 0.006 . . . . . . A 24 THR HG22 . 30858 1 237 . 1 . 1 24 24 THR HG23 H 1 1.218 0.006 . . . . . . A 24 THR HG23 . 30858 1 238 . 1 . 1 24 24 THR C C 13 174.264 0.000 . . . . . . A 24 THR C . 30858 1 239 . 1 . 1 24 24 THR CA C 13 62.184 0.031 . . . . . . A 24 THR CA . 30858 1 240 . 1 . 1 24 24 THR CB C 13 69.445 0.050 . . . . . . A 24 THR CB . 30858 1 241 . 1 . 1 24 24 THR CG2 C 13 21.487 0.035 . . . . . . A 24 THR CG2 . 30858 1 242 . 1 . 1 24 24 THR N N 15 119.229 0.026 . . . . . . A 24 THR N . 30858 1 243 . 1 . 1 25 25 GLN H H 1 8.464 0.009 . . . . . . A 25 GLN H . 30858 1 244 . 1 . 1 25 25 GLN HA H 1 4.406 0.012 . . . . . . A 25 GLN HA . 30858 1 245 . 1 . 1 25 25 GLN HB2 H 1 1.981 0.000 . . . . . . A 25 GLN HB2 . 30858 1 246 . 1 . 1 25 25 GLN HB3 H 1 1.981 0.000 . . . . . . A 25 GLN HB3 . 30858 1 247 . 1 . 1 25 25 GLN HG2 H 1 2.351 0.009 . . . . . . A 25 GLN HG2 . 30858 1 248 . 1 . 1 25 25 GLN HG3 H 1 2.351 0.009 . . . . . . A 25 GLN HG3 . 30858 1 249 . 1 . 1 25 25 GLN HE21 H 1 7.530 0.000 . . . . . . A 25 GLN HE21 . 30858 1 250 . 1 . 1 25 25 GLN HE22 H 1 7.125 0.000 . . . . . . A 25 GLN HE22 . 30858 1 251 . 1 . 1 25 25 GLN C C 13 175.651 0.000 . . . . . . A 25 GLN C . 30858 1 252 . 1 . 1 25 25 GLN CA C 13 55.001 0.023 . . . . . . A 25 GLN CA . 30858 1 253 . 1 . 1 25 25 GLN CB C 13 29.161 0.074 . . . . . . A 25 GLN CB . 30858 1 254 . 1 . 1 25 25 GLN CG C 13 33.567 0.046 . . . . . . A 25 GLN CG . 30858 1 255 . 1 . 1 25 25 GLN N N 15 123.134 0.030 . . . . . . A 25 GLN N . 30858 1 256 . 1 . 1 25 25 GLN NE2 N 15 112.811 0.001 . . . . . . A 25 GLN NE2 . 30858 1 257 . 1 . 1 26 26 SER H H 1 8.260 0.003 . . . . . . A 26 SER H . 30858 1 258 . 1 . 1 26 26 SER HA H 1 4.324 0.006 . . . . . . A 26 SER HA . 30858 1 259 . 1 . 1 26 26 SER HB2 H 1 3.718 0.003 . . . . . . A 26 SER HB2 . 30858 1 260 . 1 . 1 26 26 SER HB3 H 1 3.657 0.007 . . . . . . A 26 SER HB3 . 30858 1 261 . 1 . 1 26 26 SER C C 13 173.709 0.000 . . . . . . A 26 SER C . 30858 1 262 . 1 . 1 26 26 SER CA C 13 58.515 0.052 . . . . . . A 26 SER CA . 30858 1 263 . 1 . 1 26 26 SER CB C 13 63.589 0.021 . . . . . . A 26 SER CB . 30858 1 264 . 1 . 1 26 26 SER N N 15 117.054 0.021 . . . . . . A 26 SER N . 30858 1 265 . 1 . 1 27 27 PHE H H 1 8.150 0.003 . . . . . . A 27 PHE H . 30858 1 266 . 1 . 1 27 27 PHE HA H 1 4.508 0.001 . . . . . . A 27 PHE HA . 30858 1 267 . 1 . 1 27 27 PHE HB2 H 1 4.191 1.749 . . . . . . A 27 PHE HB2 . 30858 1 268 . 1 . 1 27 27 PHE HB3 H 1 4.191 1.749 . . . . . . A 27 PHE HB3 . 30858 1 269 . 1 . 1 27 27 PHE HD1 H 1 7.220 0.000 . . . . . . A 27 PHE HD1 . 30858 1 270 . 1 . 1 27 27 PHE HD2 H 1 7.220 0.000 . . . . . . A 27 PHE HD2 . 30858 1 271 . 1 . 1 27 27 PHE HE1 H 1 7.362 0.001 . . . . . . A 27 PHE HE1 . 30858 1 272 . 1 . 1 27 27 PHE HE2 H 1 7.362 0.001 . . . . . . A 27 PHE HE2 . 30858 1 273 . 1 . 1 27 27 PHE HZ H 1 7.288 0.000 . . . . . . A 27 PHE HZ . 30858 1 274 . 1 . 1 27 27 PHE C C 13 174.946 0.000 . . . . . . A 27 PHE C . 30858 1 275 . 1 . 1 27 27 PHE CA C 13 57.773 0.045 . . . . . . A 27 PHE CA . 30858 1 276 . 1 . 1 27 27 PHE CB C 13 37.601 0.016 . . . . . . A 27 PHE CB . 30858 1 277 . 1 . 1 27 27 PHE CD1 C 13 132.053 0.000 . . . . . . A 27 PHE CD1 . 30858 1 278 . 1 . 1 27 27 PHE CE2 C 13 131.463 0.000 . . . . . . A 27 PHE CE2 . 30858 1 279 . 1 . 1 27 27 PHE CZ C 13 129.617 0.000 . . . . . . A 27 PHE CZ . 30858 1 280 . 1 . 1 27 27 PHE N N 15 118.061 0.025 . . . . . . A 27 PHE N . 30858 1 281 . 1 . 1 28 28 LEU H H 1 7.865 0.003 . . . . . . A 28 LEU H . 30858 1 282 . 1 . 1 28 28 LEU HA H 1 4.437 0.002 . . . . . . A 28 LEU HA . 30858 1 283 . 1 . 1 28 28 LEU HB2 H 1 1.760 0.000 . . . . . . A 28 LEU HB2 . 30858 1 284 . 1 . 1 28 28 LEU HB3 H 1 1.395 0.000 . . . . . . A 28 LEU HB3 . 30858 1 285 . 1 . 1 28 28 LEU HG H 1 1.544 0.000 . . . . . . A 28 LEU HG . 30858 1 286 . 1 . 1 28 28 LEU HD11 H 1 1.042 0.000 . . . . . . A 28 LEU HD11 . 30858 1 287 . 1 . 1 28 28 LEU HD12 H 1 1.042 0.000 . . . . . . A 28 LEU HD12 . 30858 1 288 . 1 . 1 28 28 LEU HD13 H 1 1.042 0.000 . . . . . . A 28 LEU HD13 . 30858 1 289 . 1 . 1 28 28 LEU HD21 H 1 0.861 0.000 . . . . . . A 28 LEU HD21 . 30858 1 290 . 1 . 1 28 28 LEU HD22 H 1 0.861 0.000 . . . . . . A 28 LEU HD22 . 30858 1 291 . 1 . 1 28 28 LEU HD23 H 1 0.861 0.000 . . . . . . A 28 LEU HD23 . 30858 1 292 . 1 . 1 28 28 LEU CA C 13 52.547 0.046 . . . . . . A 28 LEU CA . 30858 1 293 . 1 . 1 28 28 LEU CB C 13 41.782 0.009 . . . . . . A 28 LEU CB . 30858 1 294 . 1 . 1 28 28 LEU CG C 13 27.054 0.000 . . . . . . A 28 LEU CG . 30858 1 295 . 1 . 1 28 28 LEU CD1 C 13 26.703 0.000 . . . . . . A 28 LEU CD1 . 30858 1 296 . 1 . 1 28 28 LEU CD2 C 13 23.295 0.000 . . . . . . A 28 LEU CD2 . 30858 1 297 . 1 . 1 28 28 LEU N N 15 121.808 0.038 . . . . . . A 28 LEU N . 30858 1 298 . 1 . 1 29 29 PRO HA H 1 4.694 0.000 . . . . . . A 29 PRO HA . 30858 1 299 . 1 . 1 29 29 PRO HB2 H 1 1.850 0.000 . . . . . . A 29 PRO HB2 . 30858 1 300 . 1 . 1 29 29 PRO HB3 H 1 2.403 0.000 . . . . . . A 29 PRO HB3 . 30858 1 301 . 1 . 1 29 29 PRO HG2 H 1 1.621 0.000 . . . . . . A 29 PRO HG2 . 30858 1 302 . 1 . 1 29 29 PRO HG3 H 1 1.305 0.000 . . . . . . A 29 PRO HG3 . 30858 1 303 . 1 . 1 29 29 PRO HD2 H 1 3.317 0.000 . . . . . . A 29 PRO HD2 . 30858 1 304 . 1 . 1 29 29 PRO HD3 H 1 2.812 0.001 . . . . . . A 29 PRO HD3 . 30858 1 305 . 1 . 1 29 29 PRO CA C 13 61.166 0.000 . . . . . . A 29 PRO CA . 30858 1 306 . 1 . 1 29 29 PRO CB C 13 29.333 0.001 . . . . . . A 29 PRO CB . 30858 1 307 . 1 . 1 29 29 PRO CG C 13 26.989 0.018 . . . . . . A 29 PRO CG . 30858 1 308 . 1 . 1 29 29 PRO CD C 13 49.748 0.006 . . . . . . A 29 PRO CD . 30858 1 309 . 1 . 1 30 30 PRO HA H 1 4.446 0.006 . . . . . . A 30 PRO HA . 30858 1 310 . 1 . 1 30 30 PRO HB2 H 1 2.041 0.000 . . . . . . A 30 PRO HB2 . 30858 1 311 . 1 . 1 30 30 PRO HB3 H 1 2.041 0.000 . . . . . . A 30 PRO HB3 . 30858 1 312 . 1 . 1 30 30 PRO HG2 H 1 2.200 0.000 . . . . . . A 30 PRO HG2 . 30858 1 313 . 1 . 1 30 30 PRO HG3 H 1 2.091 0.000 . . . . . . A 30 PRO HG3 . 30858 1 314 . 1 . 1 30 30 PRO HD2 H 1 3.888 0.001 . . . . . . A 30 PRO HD2 . 30858 1 315 . 1 . 1 30 30 PRO HD3 H 1 3.632 0.008 . . . . . . A 30 PRO HD3 . 30858 1 316 . 1 . 1 30 30 PRO C C 13 178.510 0.000 . . . . . . A 30 PRO C . 30858 1 317 . 1 . 1 30 30 PRO CA C 13 64.064 0.020 . . . . . . A 30 PRO CA . 30858 1 318 . 1 . 1 30 30 PRO CB C 13 31.688 0.013 . . . . . . A 30 PRO CB . 30858 1 319 . 1 . 1 30 30 PRO CG C 13 27.669 0.029 . . . . . . A 30 PRO CG . 30858 1 320 . 1 . 1 30 30 PRO CD C 13 50.227 0.022 . . . . . . A 30 PRO CD . 30858 1 321 . 1 . 1 31 31 GLY H H 1 9.040 0.003 . . . . . . A 31 GLY H . 30858 1 322 . 1 . 1 31 31 GLY HA2 H 1 4.246 0.003 . . . . . . A 31 GLY HA2 . 30858 1 323 . 1 . 1 31 31 GLY HA3 H 1 3.866 0.005 . . . . . . A 31 GLY HA3 . 30858 1 324 . 1 . 1 31 31 GLY C C 13 172.052 0.000 . . . . . . A 31 GLY C . 30858 1 325 . 1 . 1 31 31 GLY CA C 13 45.678 0.018 . . . . . . A 31 GLY CA . 30858 1 326 . 1 . 1 31 31 GLY N N 15 112.950 0.028 . . . . . . A 31 GLY N . 30858 1 327 . 1 . 1 32 32 TRP H H 1 7.830 0.003 . . . . . . A 32 TRP H . 30858 1 328 . 1 . 1 32 32 TRP HA H 1 6.041 0.006 . . . . . . A 32 TRP HA . 30858 1 329 . 1 . 1 32 32 TRP HB2 H 1 3.084 0.003 . . . . . . A 32 TRP HB2 . 30858 1 330 . 1 . 1 32 32 TRP HB3 H 1 3.329 0.006 . . . . . . A 32 TRP HB3 . 30858 1 331 . 1 . 1 32 32 TRP HD1 H 1 7.034 0.003 . . . . . . A 32 TRP HD1 . 30858 1 332 . 1 . 1 32 32 TRP HE1 H 1 10.262 0.001 . . . . . . A 32 TRP HE1 . 30858 1 333 . 1 . 1 32 32 TRP HE3 H 1 7.042 0.000 . . . . . . A 32 TRP HE3 . 30858 1 334 . 1 . 1 32 32 TRP HZ2 H 1 7.358 0.008 . . . . . . A 32 TRP HZ2 . 30858 1 335 . 1 . 1 32 32 TRP HZ3 H 1 6.847 0.016 . . . . . . A 32 TRP HZ3 . 30858 1 336 . 1 . 1 32 32 TRP HH2 H 1 7.150 0.006 . . . . . . A 32 TRP HH2 . 30858 1 337 . 1 . 1 32 32 TRP C C 13 177.013 0.000 . . . . . . A 32 TRP C . 30858 1 338 . 1 . 1 32 32 TRP CA C 13 56.165 0.010 . . . . . . A 32 TRP CA . 30858 1 339 . 1 . 1 32 32 TRP CB C 13 31.943 0.070 . . . . . . A 32 TRP CB . 30858 1 340 . 1 . 1 32 32 TRP CD1 C 13 127.741 0.000 . . . . . . A 32 TRP CD1 . 30858 1 341 . 1 . 1 32 32 TRP CE3 C 13 122.510 0.000 . . . . . . A 32 TRP CE3 . 30858 1 342 . 1 . 1 32 32 TRP CZ2 C 13 115.637 0.069 . . . . . . A 32 TRP CZ2 . 30858 1 343 . 1 . 1 32 32 TRP CZ3 C 13 121.049 0.000 . . . . . . A 32 TRP CZ3 . 30858 1 344 . 1 . 1 32 32 TRP CH2 C 13 124.124 0.000 . . . . . . A 32 TRP CH2 . 30858 1 345 . 1 . 1 32 32 TRP N N 15 117.631 0.020 . . . . . . A 32 TRP N . 30858 1 346 . 1 . 1 32 32 TRP NE1 N 15 129.643 0.000 . . . . . . A 32 TRP NE1 . 30858 1 347 . 1 . 1 33 33 GLU H H 1 9.389 0.003 . . . . . . A 33 GLU H . 30858 1 348 . 1 . 1 33 33 GLU HA H 1 4.819 0.041 . . . . . . A 33 GLU HA . 30858 1 349 . 1 . 1 33 33 GLU HB2 H 1 2.013 0.014 . . . . . . A 33 GLU HB2 . 30858 1 350 . 1 . 1 33 33 GLU HB3 H 1 2.013 0.014 . . . . . . A 33 GLU HB3 . 30858 1 351 . 1 . 1 33 33 GLU HG2 H 1 2.318 0.001 . . . . . . A 33 GLU HG2 . 30858 1 352 . 1 . 1 33 33 GLU HG3 H 1 2.140 0.007 . . . . . . A 33 GLU HG3 . 30858 1 353 . 1 . 1 33 33 GLU C C 13 173.215 0.000 . . . . . . A 33 GLU C . 30858 1 354 . 1 . 1 33 33 GLU CA C 13 54.868 0.031 . . . . . . A 33 GLU CA . 30858 1 355 . 1 . 1 33 33 GLU CB C 13 35.223 0.025 . . . . . . A 33 GLU CB . 30858 1 356 . 1 . 1 33 33 GLU CG C 13 36.857 0.018 . . . . . . A 33 GLU CG . 30858 1 357 . 1 . 1 33 33 GLU N N 15 120.251 0.016 . . . . . . A 33 GLU N . 30858 1 358 . 1 . 1 34 34 MET H H 1 9.123 0.003 . . . . . . A 34 MET H . 30858 1 359 . 1 . 1 34 34 MET HA H 1 4.918 0.005 . . . . . . A 34 MET HA . 30858 1 360 . 1 . 1 34 34 MET HB2 H 1 1.811 0.000 . . . . . . A 34 MET HB2 . 30858 1 361 . 1 . 1 34 34 MET HB3 H 1 1.978 0.000 . . . . . . A 34 MET HB3 . 30858 1 362 . 1 . 1 34 34 MET HG2 H 1 1.907 0.015 . . . . . . A 34 MET HG2 . 30858 1 363 . 1 . 1 34 34 MET HG3 H 1 1.907 0.015 . . . . . . A 34 MET HG3 . 30858 1 364 . 1 . 1 34 34 MET C C 13 174.381 0.000 . . . . . . A 34 MET C . 30858 1 365 . 1 . 1 34 34 MET CA C 13 54.246 0.016 . . . . . . A 34 MET CA . 30858 1 366 . 1 . 1 34 34 MET CB C 13 36.269 0.026 . . . . . . A 34 MET CB . 30858 1 367 . 1 . 1 34 34 MET CG C 13 31.633 0.000 . . . . . . A 34 MET CG . 30858 1 368 . 1 . 1 34 34 MET N N 15 124.891 0.021 . . . . . . A 34 MET N . 30858 1 369 . 1 . 1 35 35 ARG H H 1 8.183 0.003 . . . . . . A 35 ARG H . 30858 1 370 . 1 . 1 35 35 ARG HA H 1 4.434 0.005 . . . . . . A 35 ARG HA . 30858 1 371 . 1 . 1 35 35 ARG HB2 H 1 1.316 0.002 . . . . . . A 35 ARG HB2 . 30858 1 372 . 1 . 1 35 35 ARG HB3 H 1 0.490 0.007 . . . . . . A 35 ARG HB3 . 30858 1 373 . 1 . 1 35 35 ARG HG2 H 1 1.335 0.000 . . . . . . A 35 ARG HG2 . 30858 1 374 . 1 . 1 35 35 ARG HG3 H 1 1.147 0.006 . . . . . . A 35 ARG HG3 . 30858 1 375 . 1 . 1 35 35 ARG HD2 H 1 3.151 0.005 . . . . . . A 35 ARG HD2 . 30858 1 376 . 1 . 1 35 35 ARG HD3 H 1 2.869 0.007 . . . . . . A 35 ARG HD3 . 30858 1 377 . 1 . 1 35 35 ARG HE H 1 7.174 0.003 . . . . . . A 35 ARG HE . 30858 1 378 . 1 . 1 35 35 ARG C C 13 172.498 0.000 . . . . . . A 35 ARG C . 30858 1 379 . 1 . 1 35 35 ARG CA C 13 53.352 0.011 . . . . . . A 35 ARG CA . 30858 1 380 . 1 . 1 35 35 ARG CB C 13 34.825 0.013 . . . . . . A 35 ARG CB . 30858 1 381 . 1 . 1 35 35 ARG CG C 13 27.458 0.029 . . . . . . A 35 ARG CG . 30858 1 382 . 1 . 1 35 35 ARG CD C 13 43.034 0.024 . . . . . . A 35 ARG CD . 30858 1 383 . 1 . 1 35 35 ARG N N 15 125.826 0.022 . . . . . . A 35 ARG N . 30858 1 384 . 1 . 1 35 35 ARG NE N 15 84.538 0.017 . . . . . . A 35 ARG NE . 30858 1 385 . 1 . 1 36 36 ILE H H 1 8.318 0.003 . . . . . . A 36 ILE H . 30858 1 386 . 1 . 1 36 36 ILE HA H 1 4.439 0.005 . . . . . . A 36 ILE HA . 30858 1 387 . 1 . 1 36 36 ILE HB H 1 1.892 0.003 . . . . . . A 36 ILE HB . 30858 1 388 . 1 . 1 36 36 ILE HG12 H 1 1.373 0.000 . . . . . . A 36 ILE HG12 . 30858 1 389 . 1 . 1 36 36 ILE HG13 H 1 1.299 0.000 . . . . . . A 36 ILE HG13 . 30858 1 390 . 1 . 1 36 36 ILE HG21 H 1 0.953 0.008 . . . . . . A 36 ILE HG21 . 30858 1 391 . 1 . 1 36 36 ILE HG22 H 1 0.953 0.008 . . . . . . A 36 ILE HG22 . 30858 1 392 . 1 . 1 36 36 ILE HG23 H 1 0.953 0.008 . . . . . . A 36 ILE HG23 . 30858 1 393 . 1 . 1 36 36 ILE HD11 H 1 0.672 0.008 . . . . . . A 36 ILE HD11 . 30858 1 394 . 1 . 1 36 36 ILE HD12 H 1 0.672 0.008 . . . . . . A 36 ILE HD12 . 30858 1 395 . 1 . 1 36 36 ILE HD13 H 1 0.672 0.008 . . . . . . A 36 ILE HD13 . 30858 1 396 . 1 . 1 36 36 ILE C C 13 176.914 0.000 . . . . . . A 36 ILE C . 30858 1 397 . 1 . 1 36 36 ILE CA C 13 59.392 0.014 . . . . . . A 36 ILE CA . 30858 1 398 . 1 . 1 36 36 ILE CB C 13 36.798 0.025 . . . . . . A 36 ILE CB . 30858 1 399 . 1 . 1 36 36 ILE CG1 C 13 26.595 0.037 . . . . . . A 36 ILE CG1 . 30858 1 400 . 1 . 1 36 36 ILE CG2 C 13 17.023 0.019 . . . . . . A 36 ILE CG2 . 30858 1 401 . 1 . 1 36 36 ILE CD1 C 13 9.698 0.088 . . . . . . A 36 ILE CD1 . 30858 1 402 . 1 . 1 36 36 ILE N N 15 119.563 0.022 . . . . . . A 36 ILE N . 30858 1 403 . 1 . 1 37 37 ALA H H 1 9.151 0.016 . . . . . . A 37 ALA H . 30858 1 404 . 1 . 1 37 37 ALA HA H 1 4.617 0.001 . . . . . . A 37 ALA HA . 30858 1 405 . 1 . 1 37 37 ALA HB1 H 1 1.902 0.000 . . . . . . A 37 ALA HB1 . 30858 1 406 . 1 . 1 37 37 ALA HB2 H 1 1.902 0.000 . . . . . . A 37 ALA HB2 . 30858 1 407 . 1 . 1 37 37 ALA HB3 H 1 1.902 0.000 . . . . . . A 37 ALA HB3 . 30858 1 408 . 1 . 1 37 37 ALA CA C 13 51.984 0.008 . . . . . . A 37 ALA CA . 30858 1 409 . 1 . 1 37 37 ALA CB C 13 16.992 0.019 . . . . . . A 37 ALA CB . 30858 1 410 . 1 . 1 37 37 ALA N N 15 131.394 0.022 . . . . . . A 37 ALA N . 30858 1 411 . 1 . 1 38 38 PRO HA H 1 4.351 0.006 . . . . . . A 38 PRO HA . 30858 1 412 . 1 . 1 38 38 PRO HB2 H 1 2.426 0.000 . . . . . . A 38 PRO HB2 . 30858 1 413 . 1 . 1 38 38 PRO HB3 H 1 1.963 0.000 . . . . . . A 38 PRO HB3 . 30858 1 414 . 1 . 1 38 38 PRO HG2 H 1 2.164 0.007 . . . . . . A 38 PRO HG2 . 30858 1 415 . 1 . 1 38 38 PRO HG3 H 1 1.998 0.011 . . . . . . A 38 PRO HG3 . 30858 1 416 . 1 . 1 38 38 PRO HD2 H 1 3.804 0.007 . . . . . . A 38 PRO HD2 . 30858 1 417 . 1 . 1 38 38 PRO HD3 H 1 3.804 0.007 . . . . . . A 38 PRO HD3 . 30858 1 418 . 1 . 1 38 38 PRO C C 13 176.697 0.000 . . . . . . A 38 PRO C . 30858 1 419 . 1 . 1 38 38 PRO CA C 13 65.571 0.039 . . . . . . A 38 PRO CA . 30858 1 420 . 1 . 1 38 38 PRO CB C 13 31.491 0.022 . . . . . . A 38 PRO CB . 30858 1 421 . 1 . 1 38 38 PRO CG C 13 27.809 0.035 . . . . . . A 38 PRO CG . 30858 1 422 . 1 . 1 38 38 PRO CD C 13 50.336 0.015 . . . . . . A 38 PRO CD . 30858 1 423 . 1 . 1 39 39 ASN H H 1 7.815 0.005 . . . . . . A 39 ASN H . 30858 1 424 . 1 . 1 39 39 ASN HA H 1 4.555 0.005 . . . . . . A 39 ASN HA . 30858 1 425 . 1 . 1 39 39 ASN HB2 H 1 3.213 0.005 . . . . . . A 39 ASN HB2 . 30858 1 426 . 1 . 1 39 39 ASN HB3 H 1 2.899 0.006 . . . . . . A 39 ASN HB3 . 30858 1 427 . 1 . 1 39 39 ASN HD21 H 1 7.497 0.000 . . . . . . A 39 ASN HD21 . 30858 1 428 . 1 . 1 39 39 ASN HD22 H 1 5.620 0.000 . . . . . . A 39 ASN HD22 . 30858 1 429 . 1 . 1 39 39 ASN C C 13 176.647 0.000 . . . . . . A 39 ASN C . 30858 1 430 . 1 . 1 39 39 ASN CA C 13 52.461 0.013 . . . . . . A 39 ASN CA . 30858 1 431 . 1 . 1 39 39 ASN CB C 13 37.042 0.013 . . . . . . A 39 ASN CB . 30858 1 432 . 1 . 1 39 39 ASN N N 15 112.246 0.025 . . . . . . A 39 ASN N . 30858 1 433 . 1 . 1 39 39 ASN ND2 N 15 106.529 0.001 . . . . . . A 39 ASN ND2 . 30858 1 434 . 1 . 1 40 40 GLY H H 1 8.673 0.003 . . . . . . A 40 GLY H . 30858 1 435 . 1 . 1 40 40 GLY HA2 H 1 4.286 0.003 . . . . . . A 40 GLY HA2 . 30858 1 436 . 1 . 1 40 40 GLY HA3 H 1 3.525 0.003 . . . . . . A 40 GLY HA3 . 30858 1 437 . 1 . 1 40 40 GLY C C 13 173.447 0.000 . . . . . . A 40 GLY C . 30858 1 438 . 1 . 1 40 40 GLY CA C 13 44.954 0.018 . . . . . . A 40 GLY CA . 30858 1 439 . 1 . 1 40 40 GLY N N 15 108.895 0.020 . . . . . . A 40 GLY N . 30858 1 440 . 1 . 1 41 41 ARG H H 1 8.001 0.003 . . . . . . A 41 ARG H . 30858 1 441 . 1 . 1 41 41 ARG HA H 1 4.805 0.003 . . . . . . A 41 ARG HA . 30858 1 442 . 1 . 1 41 41 ARG HB2 H 1 2.006 0.000 . . . . . . A 41 ARG HB2 . 30858 1 443 . 1 . 1 41 41 ARG HB3 H 1 1.662 0.000 . . . . . . A 41 ARG HB3 . 30858 1 444 . 1 . 1 41 41 ARG HG2 H 1 1.769 0.000 . . . . . . A 41 ARG HG2 . 30858 1 445 . 1 . 1 41 41 ARG HG3 H 1 1.545 0.000 . . . . . . A 41 ARG HG3 . 30858 1 446 . 1 . 1 41 41 ARG HD2 H 1 2.575 0.000 . . . . . . A 41 ARG HD2 . 30858 1 447 . 1 . 1 41 41 ARG HD3 H 1 1.932 0.000 . . . . . . A 41 ARG HD3 . 30858 1 448 . 1 . 1 41 41 ARG HE H 1 6.876 0.004 . . . . . . A 41 ARG HE . 30858 1 449 . 1 . 1 41 41 ARG CA C 13 53.584 0.020 . . . . . . A 41 ARG CA . 30858 1 450 . 1 . 1 41 41 ARG CB C 13 31.461 0.056 . . . . . . A 41 ARG CB . 30858 1 451 . 1 . 1 41 41 ARG CG C 13 26.171 0.015 . . . . . . A 41 ARG CG . 30858 1 452 . 1 . 1 41 41 ARG CD C 13 43.336 0.021 . . . . . . A 41 ARG CD . 30858 1 453 . 1 . 1 41 41 ARG N N 15 123.862 0.029 . . . . . . A 41 ARG N . 30858 1 454 . 1 . 1 41 41 ARG NE N 15 84.593 0.070 . . . . . . A 41 ARG NE . 30858 1 455 . 1 . 1 42 42 PRO HA H 1 5.217 0.005 . . . . . . A 42 PRO HA . 30858 1 456 . 1 . 1 42 42 PRO HB2 H 1 1.752 0.004 . . . . . . A 42 PRO HB2 . 30858 1 457 . 1 . 1 42 42 PRO HB3 H 1 2.123 0.003 . . . . . . A 42 PRO HB3 . 30858 1 458 . 1 . 1 42 42 PRO HG2 H 1 2.295 0.008 . . . . . . A 42 PRO HG2 . 30858 1 459 . 1 . 1 42 42 PRO HG3 H 1 2.036 0.000 . . . . . . A 42 PRO HG3 . 30858 1 460 . 1 . 1 42 42 PRO HD2 H 1 4.082 0.003 . . . . . . A 42 PRO HD2 . 30858 1 461 . 1 . 1 42 42 PRO HD3 H 1 3.801 0.006 . . . . . . A 42 PRO HD3 . 30858 1 462 . 1 . 1 42 42 PRO C C 13 175.648 0.000 . . . . . . A 42 PRO C . 30858 1 463 . 1 . 1 42 42 PRO CA C 13 62.503 0.021 . . . . . . A 42 PRO CA . 30858 1 464 . 1 . 1 42 42 PRO CB C 13 32.386 0.009 . . . . . . A 42 PRO CB . 30858 1 465 . 1 . 1 42 42 PRO CG C 13 27.483 0.030 . . . . . . A 42 PRO CG . 30858 1 466 . 1 . 1 42 42 PRO CD C 13 50.746 0.021 . . . . . . A 42 PRO CD . 30858 1 467 . 1 . 1 43 43 PHE H H 1 9.217 0.002 . . . . . . A 43 PHE H . 30858 1 468 . 1 . 1 43 43 PHE HA H 1 5.072 0.002 . . . . . . A 43 PHE HA . 30858 1 469 . 1 . 1 43 43 PHE HB2 H 1 2.559 0.026 . . . . . . A 43 PHE HB2 . 30858 1 470 . 1 . 1 43 43 PHE HB3 H 1 3.154 0.006 . . . . . . A 43 PHE HB3 . 30858 1 471 . 1 . 1 43 43 PHE HD1 H 1 6.983 0.008 . . . . . . A 43 PHE HD1 . 30858 1 472 . 1 . 1 43 43 PHE HD2 H 1 6.983 0.008 . . . . . . A 43 PHE HD2 . 30858 1 473 . 1 . 1 43 43 PHE HE1 H 1 6.755 0.006 . . . . . . A 43 PHE HE1 . 30858 1 474 . 1 . 1 43 43 PHE HE2 H 1 6.755 0.006 . . . . . . A 43 PHE HE2 . 30858 1 475 . 1 . 1 43 43 PHE HZ H 1 7.009 0.010 . . . . . . A 43 PHE HZ . 30858 1 476 . 1 . 1 43 43 PHE C C 13 170.795 0.000 . . . . . . A 43 PHE C . 30858 1 477 . 1 . 1 43 43 PHE CA C 13 55.187 0.038 . . . . . . A 43 PHE CA . 30858 1 478 . 1 . 1 43 43 PHE CB C 13 41.646 0.053 . . . . . . A 43 PHE CB . 30858 1 479 . 1 . 1 43 43 PHE CD1 C 13 133.004 0.040 . . . . . . A 43 PHE CD1 . 30858 1 480 . 1 . 1 43 43 PHE CE2 C 13 130.243 0.000 . . . . . . A 43 PHE CE2 . 30858 1 481 . 1 . 1 43 43 PHE CZ C 13 128.976 0.000 . . . . . . A 43 PHE CZ . 30858 1 482 . 1 . 1 43 43 PHE N N 15 118.750 0.028 . . . . . . A 43 PHE N . 30858 1 483 . 1 . 1 44 44 PHE H H 1 9.137 0.004 . . . . . . A 44 PHE H . 30858 1 484 . 1 . 1 44 44 PHE HA H 1 5.237 0.008 . . . . . . A 44 PHE HA . 30858 1 485 . 1 . 1 44 44 PHE HB2 H 1 3.326 0.000 . . . . . . A 44 PHE HB2 . 30858 1 486 . 1 . 1 44 44 PHE HB3 H 1 3.259 0.005 . . . . . . A 44 PHE HB3 . 30858 1 487 . 1 . 1 44 44 PHE HD1 H 1 7.081 0.008 . . . . . . A 44 PHE HD1 . 30858 1 488 . 1 . 1 44 44 PHE HD2 H 1 7.081 0.008 . . . . . . A 44 PHE HD2 . 30858 1 489 . 1 . 1 44 44 PHE HE1 H 1 7.313 0.004 . . . . . . A 44 PHE HE1 . 30858 1 490 . 1 . 1 44 44 PHE HE2 H 1 7.313 0.004 . . . . . . A 44 PHE HE2 . 30858 1 491 . 1 . 1 44 44 PHE C C 13 174.004 0.000 . . . . . . A 44 PHE C . 30858 1 492 . 1 . 1 44 44 PHE CA C 13 56.883 0.040 . . . . . . A 44 PHE CA . 30858 1 493 . 1 . 1 44 44 PHE CB C 13 41.841 0.018 . . . . . . A 44 PHE CB . 30858 1 494 . 1 . 1 44 44 PHE CD1 C 13 132.429 0.091 . . . . . . A 44 PHE CD1 . 30858 1 495 . 1 . 1 44 44 PHE CE2 C 13 130.710 0.000 . . . . . . A 44 PHE CE2 . 30858 1 496 . 1 . 1 44 44 PHE N N 15 116.503 0.019 . . . . . . A 44 PHE N . 30858 1 497 . 1 . 1 45 45 ILE H H 1 9.333 0.006 . . . . . . A 45 ILE H . 30858 1 498 . 1 . 1 45 45 ILE HA H 1 4.194 0.005 . . . . . . A 45 ILE HA . 30858 1 499 . 1 . 1 45 45 ILE HB H 1 1.375 0.006 . . . . . . A 45 ILE HB . 30858 1 500 . 1 . 1 45 45 ILE HG12 H 1 0.554 0.008 . . . . . . A 45 ILE HG12 . 30858 1 501 . 1 . 1 45 45 ILE HG13 H 1 1.165 0.007 . . . . . . A 45 ILE HG13 . 30858 1 502 . 1 . 1 45 45 ILE HG21 H 1 0.230 0.005 . . . . . . A 45 ILE HG21 . 30858 1 503 . 1 . 1 45 45 ILE HG22 H 1 0.230 0.005 . . . . . . A 45 ILE HG22 . 30858 1 504 . 1 . 1 45 45 ILE HG23 H 1 0.230 0.005 . . . . . . A 45 ILE HG23 . 30858 1 505 . 1 . 1 45 45 ILE HD11 H 1 0.363 0.006 . . . . . . A 45 ILE HD11 . 30858 1 506 . 1 . 1 45 45 ILE HD12 H 1 0.363 0.006 . . . . . . A 45 ILE HD12 . 30858 1 507 . 1 . 1 45 45 ILE HD13 H 1 0.363 0.006 . . . . . . A 45 ILE HD13 . 30858 1 508 . 1 . 1 45 45 ILE C C 13 172.887 0.000 . . . . . . A 45 ILE C . 30858 1 509 . 1 . 1 45 45 ILE CA C 13 60.143 0.007 . . . . . . A 45 ILE CA . 30858 1 510 . 1 . 1 45 45 ILE CB C 13 40.969 0.011 . . . . . . A 45 ILE CB . 30858 1 511 . 1 . 1 45 45 ILE CG1 C 13 27.768 0.039 . . . . . . A 45 ILE CG1 . 30858 1 512 . 1 . 1 45 45 ILE CG2 C 13 17.602 0.045 . . . . . . A 45 ILE CG2 . 30858 1 513 . 1 . 1 45 45 ILE CD1 C 13 14.845 0.061 . . . . . . A 45 ILE CD1 . 30858 1 514 . 1 . 1 45 45 ILE N N 15 122.725 0.011 . . . . . . A 45 ILE N . 30858 1 515 . 1 . 1 46 46 ASP H H 1 8.308 0.002 . . . . . . A 46 ASP H . 30858 1 516 . 1 . 1 46 46 ASP HA H 1 3.753 0.005 . . . . . . A 46 ASP HA . 30858 1 517 . 1 . 1 46 46 ASP HB2 H 1 1.997 0.009 . . . . . . A 46 ASP HB2 . 30858 1 518 . 1 . 1 46 46 ASP HB3 H 1 0.097 0.013 . . . . . . A 46 ASP HB3 . 30858 1 519 . 1 . 1 46 46 ASP C C 13 177.751 0.000 . . . . . . A 46 ASP C . 30858 1 520 . 1 . 1 46 46 ASP CA C 13 50.992 0.013 . . . . . . A 46 ASP CA . 30858 1 521 . 1 . 1 46 46 ASP CB C 13 39.128 0.043 . . . . . . A 46 ASP CB . 30858 1 522 . 1 . 1 46 46 ASP N N 15 124.272 0.021 . . . . . . A 46 ASP N . 30858 1 523 . 1 . 1 47 47 HIS H H 1 8.953 0.005 . . . . . . A 47 HIS H . 30858 1 524 . 1 . 1 47 47 HIS HA H 1 4.279 0.000 . . . . . . A 47 HIS HA . 30858 1 525 . 1 . 1 47 47 HIS HB2 H 1 3.296 0.008 . . . . . . A 47 HIS HB2 . 30858 1 526 . 1 . 1 47 47 HIS HB3 H 1 3.093 0.002 . . . . . . A 47 HIS HB3 . 30858 1 527 . 1 . 1 47 47 HIS HD2 H 1 6.888 0.011 . . . . . . A 47 HIS HD2 . 30858 1 528 . 1 . 1 47 47 HIS HE1 H 1 7.605 0.007 . . . . . . A 47 HIS HE1 . 30858 1 529 . 1 . 1 47 47 HIS C C 13 176.692 0.000 . . . . . . A 47 HIS C . 30858 1 530 . 1 . 1 47 47 HIS CA C 13 58.819 0.011 . . . . . . A 47 HIS CA . 30858 1 531 . 1 . 1 47 47 HIS CB C 13 30.105 0.023 . . . . . . A 47 HIS CB . 30858 1 532 . 1 . 1 47 47 HIS CD2 C 13 119.809 0.063 . . . . . . A 47 HIS CD2 . 30858 1 533 . 1 . 1 47 47 HIS CE1 C 13 138.341 0.025 . . . . . . A 47 HIS CE1 . 30858 1 534 . 1 . 1 47 47 HIS N N 15 122.921 0.021 . . . . . . A 47 HIS N . 30858 1 535 . 1 . 1 48 48 ASN H H 1 8.376 0.003 . . . . . . A 48 ASN H . 30858 1 536 . 1 . 1 48 48 ASN HA H 1 4.358 0.011 . . . . . . A 48 ASN HA . 30858 1 537 . 1 . 1 48 48 ASN HB2 H 1 3.268 0.006 . . . . . . A 48 ASN HB2 . 30858 1 538 . 1 . 1 48 48 ASN HB3 H 1 2.644 0.006 . . . . . . A 48 ASN HB3 . 30858 1 539 . 1 . 1 48 48 ASN HD21 H 1 7.914 0.000 . . . . . . A 48 ASN HD21 . 30858 1 540 . 1 . 1 48 48 ASN C C 13 176.724 0.000 . . . . . . A 48 ASN C . 30858 1 541 . 1 . 1 48 48 ASN CA C 13 55.866 0.050 . . . . . . A 48 ASN CA . 30858 1 542 . 1 . 1 48 48 ASN CB C 13 38.285 0.013 . . . . . . A 48 ASN CB . 30858 1 543 . 1 . 1 48 48 ASN N N 15 115.484 0.014 . . . . . . A 48 ASN N . 30858 1 544 . 1 . 1 48 48 ASN ND2 N 15 118.202 0.000 . . . . . . A 48 ASN ND2 . 30858 1 545 . 1 . 1 49 49 THR H H 1 6.480 0.003 . . . . . . A 49 THR H . 30858 1 546 . 1 . 1 49 49 THR HA H 1 4.177 0.004 . . . . . . A 49 THR HA . 30858 1 547 . 1 . 1 49 49 THR HB H 1 4.204 0.000 . . . . . . A 49 THR HB . 30858 1 548 . 1 . 1 49 49 THR HG21 H 1 1.097 0.008 . . . . . . A 49 THR HG21 . 30858 1 549 . 1 . 1 49 49 THR HG22 H 1 1.097 0.008 . . . . . . A 49 THR HG22 . 30858 1 550 . 1 . 1 49 49 THR HG23 H 1 1.097 0.008 . . . . . . A 49 THR HG23 . 30858 1 551 . 1 . 1 49 49 THR C C 13 173.889 0.000 . . . . . . A 49 THR C . 30858 1 552 . 1 . 1 49 49 THR CA C 13 60.737 0.051 . . . . . . A 49 THR CA . 30858 1 553 . 1 . 1 49 49 THR CB C 13 70.095 0.026 . . . . . . A 49 THR CB . 30858 1 554 . 1 . 1 49 49 THR CG2 C 13 20.997 0.025 . . . . . . A 49 THR CG2 . 30858 1 555 . 1 . 1 49 49 THR N N 15 103.942 0.020 . . . . . . A 49 THR N . 30858 1 556 . 1 . 1 50 50 LYS H H 1 7.550 0.003 . . . . . . A 50 LYS H . 30858 1 557 . 1 . 1 50 50 LYS HA H 1 2.272 0.007 . . . . . . A 50 LYS HA . 30858 1 558 . 1 . 1 50 50 LYS HB2 H 1 1.825 0.008 . . . . . . A 50 LYS HB2 . 30858 1 559 . 1 . 1 50 50 LYS HB3 H 1 0.674 0.008 . . . . . . A 50 LYS HB3 . 30858 1 560 . 1 . 1 50 50 LYS HG2 H 1 0.964 0.000 . . . . . . A 50 LYS HG2 . 30858 1 561 . 1 . 1 50 50 LYS HG3 H 1 0.742 0.000 . . . . . . A 50 LYS HG3 . 30858 1 562 . 1 . 1 50 50 LYS HD2 H 1 1.432 0.007 . . . . . . A 50 LYS HD2 . 30858 1 563 . 1 . 1 50 50 LYS HD3 H 1 1.432 0.007 . . . . . . A 50 LYS HD3 . 30858 1 564 . 1 . 1 50 50 LYS HE2 H 1 2.926 0.006 . . . . . . A 50 LYS HE2 . 30858 1 565 . 1 . 1 50 50 LYS HE3 H 1 2.926 0.006 . . . . . . A 50 LYS HE3 . 30858 1 566 . 1 . 1 50 50 LYS C C 13 174.504 0.000 . . . . . . A 50 LYS C . 30858 1 567 . 1 . 1 50 50 LYS CA C 13 56.608 0.015 . . . . . . A 50 LYS CA . 30858 1 568 . 1 . 1 50 50 LYS CB C 13 27.871 0.018 . . . . . . A 50 LYS CB . 30858 1 569 . 1 . 1 50 50 LYS CG C 13 24.542 0.073 . . . . . . A 50 LYS CG . 30858 1 570 . 1 . 1 50 50 LYS CD C 13 29.233 0.049 . . . . . . A 50 LYS CD . 30858 1 571 . 1 . 1 50 50 LYS CE C 13 42.366 0.038 . . . . . . A 50 LYS CE . 30858 1 572 . 1 . 1 50 50 LYS N N 15 119.223 0.030 . . . . . . A 50 LYS N . 30858 1 573 . 1 . 1 51 51 THR H H 1 7.265 0.003 . . . . . . A 51 THR H . 30858 1 574 . 1 . 1 51 51 THR HA H 1 4.825 0.007 . . . . . . A 51 THR HA . 30858 1 575 . 1 . 1 51 51 THR HB H 1 4.076 0.005 . . . . . . A 51 THR HB . 30858 1 576 . 1 . 1 51 51 THR HG21 H 1 1.054 0.007 . . . . . . A 51 THR HG21 . 30858 1 577 . 1 . 1 51 51 THR HG22 H 1 1.054 0.007 . . . . . . A 51 THR HG22 . 30858 1 578 . 1 . 1 51 51 THR HG23 H 1 1.054 0.007 . . . . . . A 51 THR HG23 . 30858 1 579 . 1 . 1 51 51 THR C C 13 173.121 0.000 . . . . . . A 51 THR C . 30858 1 580 . 1 . 1 51 51 THR CA C 13 59.728 0.044 . . . . . . A 51 THR CA . 30858 1 581 . 1 . 1 51 51 THR CB C 13 72.968 0.038 . . . . . . A 51 THR CB . 30858 1 582 . 1 . 1 51 51 THR CG2 C 13 21.198 0.013 . . . . . . A 51 THR CG2 . 30858 1 583 . 1 . 1 51 51 THR N N 15 107.890 0.023 . . . . . . A 51 THR N . 30858 1 584 . 1 . 1 52 52 THR H H 1 7.875 0.003 . . . . . . A 52 THR H . 30858 1 585 . 1 . 1 52 52 THR HA H 1 5.502 0.006 . . . . . . A 52 THR HA . 30858 1 586 . 1 . 1 52 52 THR HB H 1 4.207 0.006 . . . . . . A 52 THR HB . 30858 1 587 . 1 . 1 52 52 THR HG21 H 1 1.031 0.007 . . . . . . A 52 THR HG21 . 30858 1 588 . 1 . 1 52 52 THR HG22 H 1 1.031 0.007 . . . . . . A 52 THR HG22 . 30858 1 589 . 1 . 1 52 52 THR HG23 H 1 1.031 0.007 . . . . . . A 52 THR HG23 . 30858 1 590 . 1 . 1 52 52 THR C C 13 173.336 0.000 . . . . . . A 52 THR C . 30858 1 591 . 1 . 1 52 52 THR CA C 13 58.558 0.060 . . . . . . A 52 THR CA . 30858 1 592 . 1 . 1 52 52 THR CB C 13 72.050 0.037 . . . . . . A 52 THR CB . 30858 1 593 . 1 . 1 52 52 THR CG2 C 13 22.830 0.082 . . . . . . A 52 THR CG2 . 30858 1 594 . 1 . 1 52 52 THR N N 15 108.903 0.019 . . . . . . A 52 THR N . 30858 1 595 . 1 . 1 53 53 THR H H 1 9.133 0.003 . . . . . . A 53 THR H . 30858 1 596 . 1 . 1 53 53 THR HA H 1 4.732 0.006 . . . . . . A 53 THR HA . 30858 1 597 . 1 . 1 53 53 THR HB H 1 4.522 0.006 . . . . . . A 53 THR HB . 30858 1 598 . 1 . 1 53 53 THR HG21 H 1 1.674 0.009 . . . . . . A 53 THR HG21 . 30858 1 599 . 1 . 1 53 53 THR HG22 H 1 1.674 0.009 . . . . . . A 53 THR HG22 . 30858 1 600 . 1 . 1 53 53 THR HG23 H 1 1.674 0.009 . . . . . . A 53 THR HG23 . 30858 1 601 . 1 . 1 53 53 THR C C 13 172.279 0.000 . . . . . . A 53 THR C . 30858 1 602 . 1 . 1 53 53 THR CA C 13 59.754 0.027 . . . . . . A 53 THR CA . 30858 1 603 . 1 . 1 53 53 THR CB C 13 68.705 0.034 . . . . . . A 53 THR CB . 30858 1 604 . 1 . 1 53 53 THR CG2 C 13 20.008 0.004 . . . . . . A 53 THR CG2 . 30858 1 605 . 1 . 1 53 53 THR N N 15 113.402 0.022 . . . . . . A 53 THR N . 30858 1 606 . 1 . 1 54 54 TRP H H 1 8.867 0.004 . . . . . . A 54 TRP H . 30858 1 607 . 1 . 1 54 54 TRP HA H 1 5.400 0.018 . . . . . . A 54 TRP HA . 30858 1 608 . 1 . 1 54 54 TRP HB2 H 1 3.200 0.002 . . . . . . A 54 TRP HB2 . 30858 1 609 . 1 . 1 54 54 TRP HB3 H 1 3.722 0.004 . . . . . . A 54 TRP HB3 . 30858 1 610 . 1 . 1 54 54 TRP HD1 H 1 7.336 0.006 . . . . . . A 54 TRP HD1 . 30858 1 611 . 1 . 1 54 54 TRP HE1 H 1 10.049 0.005 . . . . . . A 54 TRP HE1 . 30858 1 612 . 1 . 1 54 54 TRP HE3 H 1 8.362 0.000 . . . . . . A 54 TRP HE3 . 30858 1 613 . 1 . 1 54 54 TRP HZ2 H 1 7.098 0.007 . . . . . . A 54 TRP HZ2 . 30858 1 614 . 1 . 1 54 54 TRP HZ3 H 1 7.428 0.007 . . . . . . A 54 TRP HZ3 . 30858 1 615 . 1 . 1 54 54 TRP HH2 H 1 6.968 0.015 . . . . . . A 54 TRP HH2 . 30858 1 616 . 1 . 1 54 54 TRP C C 13 177.686 0.000 . . . . . . A 54 TRP C . 30858 1 617 . 1 . 1 54 54 TRP CA C 13 57.944 0.012 . . . . . . A 54 TRP CA . 30858 1 618 . 1 . 1 54 54 TRP CB C 13 31.741 0.104 . . . . . . A 54 TRP CB . 30858 1 619 . 1 . 1 54 54 TRP CD1 C 13 128.875 0.059 . . . . . . A 54 TRP CD1 . 30858 1 620 . 1 . 1 54 54 TRP CE3 C 13 122.775 0.000 . . . . . . A 54 TRP CE3 . 30858 1 621 . 1 . 1 54 54 TRP CZ2 C 13 114.230 0.113 . . . . . . A 54 TRP CZ2 . 30858 1 622 . 1 . 1 54 54 TRP CZ3 C 13 119.588 0.000 . . . . . . A 54 TRP CZ3 . 30858 1 623 . 1 . 1 54 54 TRP CH2 C 13 123.784 0.000 . . . . . . A 54 TRP CH2 . 30858 1 624 . 1 . 1 54 54 TRP N N 15 125.795 0.013 . . . . . . A 54 TRP N . 30858 1 625 . 1 . 1 54 54 TRP NE1 N 15 128.248 0.006 . . . . . . A 54 TRP NE1 . 30858 1 626 . 1 . 1 55 55 GLU H H 1 8.880 0.003 . . . . . . A 55 GLU H . 30858 1 627 . 1 . 1 55 55 GLU HA H 1 4.191 0.011 . . . . . . A 55 GLU HA . 30858 1 628 . 1 . 1 55 55 GLU HB2 H 1 1.947 0.012 . . . . . . A 55 GLU HB2 . 30858 1 629 . 1 . 1 55 55 GLU HB3 H 1 1.947 0.012 . . . . . . A 55 GLU HB3 . 30858 1 630 . 1 . 1 55 55 GLU HG2 H 1 2.248 0.019 . . . . . . A 55 GLU HG2 . 30858 1 631 . 1 . 1 55 55 GLU HG3 H 1 2.136 0.007 . . . . . . A 55 GLU HG3 . 30858 1 632 . 1 . 1 55 55 GLU C C 13 174.197 0.000 . . . . . . A 55 GLU C . 30858 1 633 . 1 . 1 55 55 GLU CA C 13 56.549 0.116 . . . . . . A 55 GLU CA . 30858 1 634 . 1 . 1 55 55 GLU CB C 13 30.004 0.108 . . . . . . A 55 GLU CB . 30858 1 635 . 1 . 1 55 55 GLU CG C 13 36.214 0.004 . . . . . . A 55 GLU CG . 30858 1 636 . 1 . 1 55 55 GLU N N 15 120.578 0.025 . . . . . . A 55 GLU N . 30858 1 637 . 1 . 1 56 56 ASP H H 1 8.086 0.002 . . . . . . A 56 ASP H . 30858 1 638 . 1 . 1 56 56 ASP HA H 1 2.594 0.001 . . . . . . A 56 ASP HA . 30858 1 639 . 1 . 1 56 56 ASP HB2 H 1 2.617 0.000 . . . . . . A 56 ASP HB2 . 30858 1 640 . 1 . 1 56 56 ASP HB3 H 1 2.285 0.000 . . . . . . A 56 ASP HB3 . 30858 1 641 . 1 . 1 56 56 ASP CA C 13 50.150 0.024 . . . . . . A 56 ASP CA . 30858 1 642 . 1 . 1 56 56 ASP CB C 13 41.631 0.011 . . . . . . A 56 ASP CB . 30858 1 643 . 1 . 1 56 56 ASP N N 15 126.296 0.025 . . . . . . A 56 ASP N . 30858 1 644 . 1 . 1 57 57 PRO HA H 1 3.892 0.003 . . . . . . A 57 PRO HA . 30858 1 645 . 1 . 1 57 57 PRO HB2 H 1 0.793 0.007 . . . . . . A 57 PRO HB2 . 30858 1 646 . 1 . 1 57 57 PRO HB3 H 1 0.580 0.006 . . . . . . A 57 PRO HB3 . 30858 1 647 . 1 . 1 57 57 PRO HG2 H 1 0.690 0.000 . . . . . . A 57 PRO HG2 . 30858 1 648 . 1 . 1 57 57 PRO HG3 H 1 0.386 0.008 . . . . . . A 57 PRO HG3 . 30858 1 649 . 1 . 1 57 57 PRO HD2 H 1 2.821 0.002 . . . . . . A 57 PRO HD2 . 30858 1 650 . 1 . 1 57 57 PRO HD3 H 1 2.715 0.000 . . . . . . A 57 PRO HD3 . 30858 1 651 . 1 . 1 57 57 PRO C C 13 177.845 0.000 . . . . . . A 57 PRO C . 30858 1 652 . 1 . 1 57 57 PRO CA C 13 63.142 0.016 . . . . . . A 57 PRO CA . 30858 1 653 . 1 . 1 57 57 PRO CB C 13 30.616 0.003 . . . . . . A 57 PRO CB . 30858 1 654 . 1 . 1 57 57 PRO CG C 13 26.144 0.036 . . . . . . A 57 PRO CG . 30858 1 655 . 1 . 1 57 57 PRO CD C 13 50.005 0.048 . . . . . . A 57 PRO CD . 30858 1 656 . 1 . 1 58 58 ARG H H 1 8.322 0.003 . . . . . . A 58 ARG H . 30858 1 657 . 1 . 1 58 58 ARG HA H 1 3.710 0.016 . . . . . . A 58 ARG HA . 30858 1 658 . 1 . 1 58 58 ARG HB2 H 1 1.822 0.000 . . . . . . A 58 ARG HB2 . 30858 1 659 . 1 . 1 58 58 ARG HB3 H 1 1.608 0.005 . . . . . . A 58 ARG HB3 . 30858 1 660 . 1 . 1 58 58 ARG HG2 H 1 1.832 0.011 . . . . . . A 58 ARG HG2 . 30858 1 661 . 1 . 1 58 58 ARG HG3 H 1 1.257 0.003 . . . . . . A 58 ARG HG3 . 30858 1 662 . 1 . 1 58 58 ARG HD2 H 1 3.350 0.000 . . . . . . A 58 ARG HD2 . 30858 1 663 . 1 . 1 58 58 ARG HD3 H 1 3.111 0.004 . . . . . . A 58 ARG HD3 . 30858 1 664 . 1 . 1 58 58 ARG HE H 1 8.728 0.004 . . . . . . A 58 ARG HE . 30858 1 665 . 1 . 1 58 58 ARG C C 13 177.124 0.000 . . . . . . A 58 ARG C . 30858 1 666 . 1 . 1 58 58 ARG CA C 13 57.274 0.024 . . . . . . A 58 ARG CA . 30858 1 667 . 1 . 1 58 58 ARG CB C 13 29.545 0.039 . . . . . . A 58 ARG CB . 30858 1 668 . 1 . 1 58 58 ARG CG C 13 26.646 0.053 . . . . . . A 58 ARG CG . 30858 1 669 . 1 . 1 58 58 ARG CD C 13 43.146 0.023 . . . . . . A 58 ARG CD . 30858 1 670 . 1 . 1 58 58 ARG N N 15 118.780 0.037 . . . . . . A 58 ARG N . 30858 1 671 . 1 . 1 58 58 ARG NE N 15 84.775 0.111 . . . . . . A 58 ARG NE . 30858 1 672 . 1 . 1 59 59 LEU H H 1 7.153 0.003 . . . . . . A 59 LEU H . 30858 1 673 . 1 . 1 59 59 LEU HA H 1 4.109 0.004 . . . . . . A 59 LEU HA . 30858 1 674 . 1 . 1 59 59 LEU HB2 H 1 1.624 0.000 . . . . . . A 59 LEU HB2 . 30858 1 675 . 1 . 1 59 59 LEU HB3 H 1 1.492 0.000 . . . . . . A 59 LEU HB3 . 30858 1 676 . 1 . 1 59 59 LEU HG H 1 1.408 0.000 . . . . . . A 59 LEU HG . 30858 1 677 . 1 . 1 59 59 LEU HD11 H 1 0.919 0.008 . . . . . . A 59 LEU HD11 . 30858 1 678 . 1 . 1 59 59 LEU HD12 H 1 0.919 0.008 . . . . . . A 59 LEU HD12 . 30858 1 679 . 1 . 1 59 59 LEU HD13 H 1 0.919 0.008 . . . . . . A 59 LEU HD13 . 30858 1 680 . 1 . 1 59 59 LEU HD21 H 1 0.764 0.005 . . . . . . A 59 LEU HD21 . 30858 1 681 . 1 . 1 59 59 LEU HD22 H 1 0.764 0.005 . . . . . . A 59 LEU HD22 . 30858 1 682 . 1 . 1 59 59 LEU HD23 H 1 0.764 0.005 . . . . . . A 59 LEU HD23 . 30858 1 683 . 1 . 1 59 59 LEU C C 13 177.041 0.000 . . . . . . A 59 LEU C . 30858 1 684 . 1 . 1 59 59 LEU CA C 13 55.100 0.026 . . . . . . A 59 LEU CA . 30858 1 685 . 1 . 1 59 59 LEU CB C 13 41.355 0.019 . . . . . . A 59 LEU CB . 30858 1 686 . 1 . 1 59 59 LEU CG C 13 26.997 0.050 . . . . . . A 59 LEU CG . 30858 1 687 . 1 . 1 59 59 LEU CD1 C 13 24.969 0.061 . . . . . . A 59 LEU CD1 . 30858 1 688 . 1 . 1 59 59 LEU CD2 C 13 22.316 0.048 . . . . . . A 59 LEU CD2 . 30858 1 689 . 1 . 1 59 59 LEU N N 15 117.065 0.032 . . . . . . A 59 LEU N . 30858 1 690 . 1 . 1 60 60 LYS H H 1 7.189 0.004 . . . . . . A 60 LYS H . 30858 1 691 . 1 . 1 60 60 LYS HA H 1 4.091 0.008 . . . . . . A 60 LYS HA . 30858 1 692 . 1 . 1 60 60 LYS HB2 H 1 1.440 0.000 . . . . . . A 60 LYS HB2 . 30858 1 693 . 1 . 1 60 60 LYS HB3 H 1 1.440 0.000 . . . . . . A 60 LYS HB3 . 30858 1 694 . 1 . 1 60 60 LYS HG2 H 1 1.160 0.014 . . . . . . A 60 LYS HG2 . 30858 1 695 . 1 . 1 60 60 LYS HG3 H 1 1.060 0.001 . . . . . . A 60 LYS HG3 . 30858 1 696 . 1 . 1 60 60 LYS HD2 H 1 1.488 0.019 . . . . . . A 60 LYS HD2 . 30858 1 697 . 1 . 1 60 60 LYS HD3 H 1 1.488 0.019 . . . . . . A 60 LYS HD3 . 30858 1 698 . 1 . 1 60 60 LYS HE2 H 1 2.858 0.007 . . . . . . A 60 LYS HE2 . 30858 1 699 . 1 . 1 60 60 LYS HE3 H 1 2.858 0.007 . . . . . . A 60 LYS HE3 . 30858 1 700 . 1 . 1 60 60 LYS C C 13 175.500 0.000 . . . . . . A 60 LYS C . 30858 1 701 . 1 . 1 60 60 LYS CA C 13 55.940 0.065 . . . . . . A 60 LYS CA . 30858 1 702 . 1 . 1 60 60 LYS CB C 13 33.075 0.017 . . . . . . A 60 LYS CB . 30858 1 703 . 1 . 1 60 60 LYS CG C 13 24.423 0.074 . . . . . . A 60 LYS CG . 30858 1 704 . 1 . 1 60 60 LYS CD C 13 28.637 0.032 . . . . . . A 60 LYS CD . 30858 1 705 . 1 . 1 60 60 LYS CE C 13 41.854 0.012 . . . . . . A 60 LYS CE . 30858 1 706 . 1 . 1 60 60 LYS N N 15 118.259 0.062 . . . . . . A 60 LYS N . 30858 1 707 . 1 . 1 61 61 PHE H H 1 7.753 0.004 . . . . . . A 61 PHE H . 30858 1 708 . 1 . 1 61 61 PHE HA H 1 4.859 0.001 . . . . . . A 61 PHE HA . 30858 1 709 . 1 . 1 61 61 PHE HB2 H 1 3.092 0.000 . . . . . . A 61 PHE HB2 . 30858 1 710 . 1 . 1 61 61 PHE HB3 H 1 2.826 0.000 . . . . . . A 61 PHE HB3 . 30858 1 711 . 1 . 1 61 61 PHE HD1 H 1 7.222 0.000 . . . . . . A 61 PHE HD1 . 30858 1 712 . 1 . 1 61 61 PHE HD2 H 1 7.222 0.000 . . . . . . A 61 PHE HD2 . 30858 1 713 . 1 . 1 61 61 PHE HE1 H 1 7.307 0.000 . . . . . . A 61 PHE HE1 . 30858 1 714 . 1 . 1 61 61 PHE HE2 H 1 7.307 0.000 . . . . . . A 61 PHE HE2 . 30858 1 715 . 1 . 1 61 61 PHE CA C 13 54.821 0.061 . . . . . . A 61 PHE CA . 30858 1 716 . 1 . 1 61 61 PHE CB C 13 38.691 0.042 . . . . . . A 61 PHE CB . 30858 1 717 . 1 . 1 61 61 PHE N N 15 120.391 0.039 . . . . . . A 61 PHE N . 30858 1 718 . 1 . 1 62 62 PRO HA H 1 4.416 0.005 . . . . . . A 62 PRO HA . 30858 1 719 . 1 . 1 62 62 PRO HB2 H 1 2.225 0.000 . . . . . . A 62 PRO HB2 . 30858 1 720 . 1 . 1 62 62 PRO HB3 H 1 1.743 0.004 . . . . . . A 62 PRO HB3 . 30858 1 721 . 1 . 1 62 62 PRO HG2 H 1 1.942 0.016 . . . . . . A 62 PRO HG2 . 30858 1 722 . 1 . 1 62 62 PRO HG3 H 1 1.942 0.016 . . . . . . A 62 PRO HG3 . 30858 1 723 . 1 . 1 62 62 PRO HD2 H 1 3.512 0.008 . . . . . . A 62 PRO HD2 . 30858 1 724 . 1 . 1 62 62 PRO HD3 H 1 3.658 0.007 . . . . . . A 62 PRO HD3 . 30858 1 725 . 1 . 1 62 62 PRO C C 13 177.025 0.000 . . . . . . A 62 PRO C . 30858 1 726 . 1 . 1 62 62 PRO CA C 13 62.910 0.031 . . . . . . A 62 PRO CA . 30858 1 727 . 1 . 1 62 62 PRO CB C 13 31.911 0.030 . . . . . . A 62 PRO CB . 30858 1 728 . 1 . 1 62 62 PRO CG C 13 27.212 0.012 . . . . . . A 62 PRO CG . 30858 1 729 . 1 . 1 62 62 PRO CD C 13 50.315 0.019 . . . . . . A 62 PRO CD . 30858 1 730 . 1 . 1 63 63 VAL H H 1 8.224 0.002 . . . . . . A 63 VAL H . 30858 1 731 . 1 . 1 63 63 VAL HA H 1 3.908 0.005 . . . . . . A 63 VAL HA . 30858 1 732 . 1 . 1 63 63 VAL HB H 1 1.986 0.000 . . . . . . A 63 VAL HB . 30858 1 733 . 1 . 1 63 63 VAL HG11 H 1 0.871 0.000 . . . . . . A 63 VAL HG11 . 30858 1 734 . 1 . 1 63 63 VAL HG12 H 1 0.871 0.000 . . . . . . A 63 VAL HG12 . 30858 1 735 . 1 . 1 63 63 VAL HG13 H 1 0.871 0.000 . . . . . . A 63 VAL HG13 . 30858 1 736 . 1 . 1 63 63 VAL HG21 H 1 0.911 0.000 . . . . . . A 63 VAL HG21 . 30858 1 737 . 1 . 1 63 63 VAL HG22 H 1 0.911 0.000 . . . . . . A 63 VAL HG22 . 30858 1 738 . 1 . 1 63 63 VAL HG23 H 1 0.911 0.000 . . . . . . A 63 VAL HG23 . 30858 1 739 . 1 . 1 63 63 VAL C C 13 176.130 0.000 . . . . . . A 63 VAL C . 30858 1 740 . 1 . 1 63 63 VAL CA C 13 62.957 0.025 . . . . . . A 63 VAL CA . 30858 1 741 . 1 . 1 63 63 VAL CB C 13 32.403 0.030 . . . . . . A 63 VAL CB . 30858 1 742 . 1 . 1 63 63 VAL CG1 C 13 20.678 0.000 . . . . . . A 63 VAL CG1 . 30858 1 743 . 1 . 1 63 63 VAL CG2 C 13 20.597 0.000 . . . . . . A 63 VAL CG2 . 30858 1 744 . 1 . 1 63 63 VAL N N 15 120.000 0.031 . . . . . . A 63 VAL N . 30858 1 745 . 1 . 1 64 64 HIS H H 1 8.240 0.003 . . . . . . A 64 HIS H . 30858 1 746 . 1 . 1 64 64 HIS HA H 1 4.620 0.001 . . . . . . A 64 HIS HA . 30858 1 747 . 1 . 1 64 64 HIS HB2 H 1 3.078 0.008 . . . . . . A 64 HIS HB2 . 30858 1 748 . 1 . 1 64 64 HIS HB3 H 1 3.078 0.008 . . . . . . A 64 HIS HB3 . 30858 1 749 . 1 . 1 64 64 HIS HD2 H 1 6.983 0.010 . . . . . . A 64 HIS HD2 . 30858 1 750 . 1 . 1 64 64 HIS C C 13 175.165 0.000 . . . . . . A 64 HIS C . 30858 1 751 . 1 . 1 64 64 HIS CA C 13 56.134 0.013 . . . . . . A 64 HIS CA . 30858 1 752 . 1 . 1 64 64 HIS CB C 13 30.363 0.020 . . . . . . A 64 HIS CB . 30858 1 753 . 1 . 1 64 64 HIS CD2 C 13 120.283 0.000 . . . . . . A 64 HIS CD2 . 30858 1 754 . 1 . 1 64 64 HIS N N 15 121.461 0.038 . . . . . . A 64 HIS N . 30858 1 755 . 1 . 1 65 65 MET H H 1 8.135 0.003 . . . . . . A 65 MET H . 30858 1 756 . 1 . 1 65 65 MET HA H 1 4.412 0.008 . . . . . . A 65 MET HA . 30858 1 757 . 1 . 1 65 65 MET HG2 H 1 2.348 0.006 . . . . . . A 65 MET HG2 . 30858 1 758 . 1 . 1 65 65 MET HG3 H 1 2.348 0.006 . . . . . . A 65 MET HG3 . 30858 1 759 . 1 . 1 65 65 MET C C 13 175.623 0.000 . . . . . . A 65 MET C . 30858 1 760 . 1 . 1 65 65 MET CA C 13 55.115 0.030 . . . . . . A 65 MET CA . 30858 1 761 . 1 . 1 65 65 MET CB C 13 32.745 0.047 . . . . . . A 65 MET CB . 30858 1 762 . 1 . 1 65 65 MET CG C 13 31.725 0.033 . . . . . . A 65 MET CG . 30858 1 763 . 1 . 1 65 65 MET N N 15 121.584 0.033 . . . . . . A 65 MET N . 30858 1 764 . 1 . 1 66 66 ARG H H 1 8.211 0.003 . . . . . . A 66 ARG H . 30858 1 765 . 1 . 1 66 66 ARG CA C 13 55.933 0.000 . . . . . . A 66 ARG CA . 30858 1 766 . 1 . 1 66 66 ARG CB C 13 30.857 0.000 . . . . . . A 66 ARG CB . 30858 1 767 . 1 . 1 66 66 ARG N N 15 121.944 0.029 . . . . . . A 66 ARG N . 30858 1 768 . 1 . 1 67 67 SER HA H 1 4.404 0.006 . . . . . . A 67 SER HA . 30858 1 769 . 1 . 1 67 67 SER HB2 H 1 3.825 0.004 . . . . . . A 67 SER HB2 . 30858 1 770 . 1 . 1 67 67 SER HB3 H 1 3.825 0.004 . . . . . . A 67 SER HB3 . 30858 1 771 . 1 . 1 67 67 SER C C 13 173.336 0.000 . . . . . . A 67 SER C . 30858 1 772 . 1 . 1 67 67 SER CA C 13 58.287 0.092 . . . . . . A 67 SER CA . 30858 1 773 . 1 . 1 67 67 SER CB C 13 63.811 0.052 . . . . . . A 67 SER CB . 30858 1 774 . 1 . 1 68 68 LYS H H 1 7.952 0.003 . . . . . . A 68 LYS H . 30858 1 775 . 1 . 1 68 68 LYS HA H 1 4.145 0.000 . . . . . . A 68 LYS HA . 30858 1 776 . 1 . 1 68 68 LYS HB2 H 1 1.805 0.000 . . . . . . A 68 LYS HB2 . 30858 1 777 . 1 . 1 68 68 LYS HB3 H 1 1.708 0.000 . . . . . . A 68 LYS HB3 . 30858 1 778 . 1 . 1 68 68 LYS HG2 H 1 1.453 0.000 . . . . . . A 68 LYS HG2 . 30858 1 779 . 1 . 1 68 68 LYS HG3 H 1 1.374 0.000 . . . . . . A 68 LYS HG3 . 30858 1 780 . 1 . 1 68 68 LYS HE2 H 1 2.950 0.000 . . . . . . A 68 LYS HE2 . 30858 1 781 . 1 . 1 68 68 LYS HE3 H 1 2.950 0.000 . . . . . . A 68 LYS HE3 . 30858 1 782 . 1 . 1 68 68 LYS CA C 13 57.731 0.020 . . . . . . A 68 LYS CA . 30858 1 783 . 1 . 1 68 68 LYS CB C 13 33.522 0.011 . . . . . . A 68 LYS CB . 30858 1 784 . 1 . 1 68 68 LYS CG C 13 24.681 0.001 . . . . . . A 68 LYS CG . 30858 1 785 . 1 . 1 68 68 LYS CE C 13 41.991 0.000 . . . . . . A 68 LYS CE . 30858 1 786 . 1 . 1 68 68 LYS N N 15 127.808 0.020 . . . . . . A 68 LYS N . 30858 1 stop_ save_