data_19667 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19667 _Entry.Title ; Solution structure of the carboxyterminal domain of NusG from Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-09 _Entry.Accession_date 2013-12-09 _Entry.Last_release_date 2014-01-27 _Entry.Original_release_date 2014-01-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Martin Strauss . . . 19667 2 Kristian Schweimer . . . 19667 3 Paul Roesch . . . 19667 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' . 19667 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'KOW domain' . 19667 NusG . 19667 Transcription . 19667 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19667 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 19667 '15N chemical shifts' 60 19667 '1H chemical shifts' 446 19667 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 . . 2014-01-27 2013-12-09 original author . 19667 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MI6 'BMRB Entry Tracking System' 19667 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19667 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the carboxyterminal domain of NusG from mycobacterium tuberculosis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Martin Strauss . . . 19667 1 2 Kristian Schweimer . . . 19667 1 3 Paul Roesch . . . 19667 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19667 _Assembly.ID 1 _Assembly.Name 'carboxyterminal domain of NusG' _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 'carboxyterminal domain of NusG' 1 $entity A . yes native no no . . . 19667 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19667 _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 ; GRPVVEVDYEVGESVTVMDG PFATLPATISEVNAEQQKLK VLVSIFGRETPVELTFGQVS KI ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6711.688 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MI6 . "Solution Structure Of The Carboxy Terminal Domain Of Nusg From Mycobacterium Tuberculosis" . . . . . 100.00 62 100.00 100.00 2.31e-34 . . . . 19667 1 2 no DBJ BAH24951 . "transcription antitermination protein [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 3 no DBJ BAL64520 . "transcription antitermination protein [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 4 no DBJ BAQ04534 . "transcription anti termination protein [Mycobacterium tuberculosis str. Kurono]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 5 no DBJ GAA44419 . "transcription antitermination protein [Mycobacterium tuberculosis NCGM2209]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 6 no EMBL CAL70674 . "Probable transcription antitermination protein nusG [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 7 no EMBL CCC25720 . "putative transcription antitermination protein NUSG [Mycobacterium africanum GM041182]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 8 no EMBL CCC42978 . "putative transcription antitermination protein NUSG [Mycobacterium canettii CIPT 140010059]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 9 no EMBL CCC63246 . "probable transcription antitermination protein nusG [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 10 no EMBL CCE36182 . "nusG [Mycobacterium tuberculosis UT205]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 11 no GB AAK44893 . "transcription antitermination protein NusG [Mycobacterium tuberculosis CDC1551]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 12 no GB ABQ72374 . "transcription antitermination protein NusG [Mycobacterium tuberculosis H37Ra]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 13 no GB ABR04995 . "transcription antitermination protein nusG [Mycobacterium tuberculosis F11]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 14 no GB ACT23685 . "transcription antitermination protein nusG [Mycobacterium tuberculosis KZN 1435]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 15 no GB AEB02783 . "transcription antitermination protein nusG [Mycobacterium tuberculosis KZN 4207]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 16 no REF NP_215153 . "transcription termination/antitermination protein NusG [Mycobacterium tuberculosis H37Rv]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 17 no REF NP_854316 . "transcription antitermination protein NusG [Mycobacterium bovis AF2122/97]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 18 no REF WP_003403288 . "MULTISPECIES: transcription termination/antitermination protein NusG [Mycobacterium tuberculosis complex]" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 19 no REF WP_023349453 . "transcription termination/antitermination protein NusG [Mycobacterium bovis]" . . . . . 98.39 238 100.00 100.00 2.97e-32 . . . . 19667 1 20 no REF WP_023370810 . "transcription termination/antitermination factor NusG [Mycobacterium kansasii]" . . . . . 98.39 238 98.36 98.36 2.49e-31 . . . . 19667 1 21 no SP P65590 . "RecName: Full=Transcription termination/antitermination protein NusG" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 22 no SP P9WIU8 . "RecName: Full=Transcription termination/antitermination protein NusG" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 23 no SP P9WIU9 . "RecName: Full=Transcription termination/antitermination protein NusG" . . . . . 98.39 238 100.00 100.00 2.88e-32 . . . . 19667 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19667 1 2 . ARG . 19667 1 3 . PRO . 19667 1 4 . VAL . 19667 1 5 . VAL . 19667 1 6 . GLU . 19667 1 7 . VAL . 19667 1 8 . ASP . 19667 1 9 . TYR . 19667 1 10 . GLU . 19667 1 11 . VAL . 19667 1 12 . GLY . 19667 1 13 . GLU . 19667 1 14 . SER . 19667 1 15 . VAL . 19667 1 16 . THR . 19667 1 17 . VAL . 19667 1 18 . MET . 19667 1 19 . ASP . 19667 1 20 . GLY . 19667 1 21 . PRO . 19667 1 22 . PHE . 19667 1 23 . ALA . 19667 1 24 . THR . 19667 1 25 . LEU . 19667 1 26 . PRO . 19667 1 27 . ALA . 19667 1 28 . THR . 19667 1 29 . ILE . 19667 1 30 . SER . 19667 1 31 . GLU . 19667 1 32 . VAL . 19667 1 33 . ASN . 19667 1 34 . ALA . 19667 1 35 . GLU . 19667 1 36 . GLN . 19667 1 37 . GLN . 19667 1 38 . LYS . 19667 1 39 . LEU . 19667 1 40 . LYS . 19667 1 41 . VAL . 19667 1 42 . LEU . 19667 1 43 . VAL . 19667 1 44 . SER . 19667 1 45 . ILE . 19667 1 46 . PHE . 19667 1 47 . GLY . 19667 1 48 . ARG . 19667 1 49 . GLU . 19667 1 50 . THR . 19667 1 51 . PRO . 19667 1 52 . VAL . 19667 1 53 . GLU . 19667 1 54 . LEU . 19667 1 55 . THR . 19667 1 56 . PHE . 19667 1 57 . GLY . 19667 1 58 . GLN . 19667 1 59 . VAL . 19667 1 60 . SER . 19667 1 61 . LYS . 19667 1 62 . ILE . 19667 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 19667 1 . ARG 2 2 19667 1 . PRO 3 3 19667 1 . VAL 4 4 19667 1 . VAL 5 5 19667 1 . GLU 6 6 19667 1 . VAL 7 7 19667 1 . ASP 8 8 19667 1 . TYR 9 9 19667 1 . GLU 10 10 19667 1 . VAL 11 11 19667 1 . GLY 12 12 19667 1 . GLU 13 13 19667 1 . SER 14 14 19667 1 . VAL 15 15 19667 1 . THR 16 16 19667 1 . VAL 17 17 19667 1 . MET 18 18 19667 1 . ASP 19 19 19667 1 . GLY 20 20 19667 1 . PRO 21 21 19667 1 . PHE 22 22 19667 1 . ALA 23 23 19667 1 . THR 24 24 19667 1 . LEU 25 25 19667 1 . PRO 26 26 19667 1 . ALA 27 27 19667 1 . THR 28 28 19667 1 . ILE 29 29 19667 1 . SER 30 30 19667 1 . GLU 31 31 19667 1 . VAL 32 32 19667 1 . ASN 33 33 19667 1 . ALA 34 34 19667 1 . GLU 35 35 19667 1 . GLN 36 36 19667 1 . GLN 37 37 19667 1 . LYS 38 38 19667 1 . LEU 39 39 19667 1 . LYS 40 40 19667 1 . VAL 41 41 19667 1 . LEU 42 42 19667 1 . VAL 43 43 19667 1 . SER 44 44 19667 1 . ILE 45 45 19667 1 . PHE 46 46 19667 1 . GLY 47 47 19667 1 . ARG 48 48 19667 1 . GLU 49 49 19667 1 . THR 50 50 19667 1 . PRO 51 51 19667 1 . VAL 52 52 19667 1 . GLU 53 53 19667 1 . LEU 54 54 19667 1 . THR 55 55 19667 1 . PHE 56 56 19667 1 . GLY 57 57 19667 1 . GLN 58 58 19667 1 . VAL 59 59 19667 1 . SER 60 60 19667 1 . LYS 61 61 19667 1 . ILE 62 62 19667 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 19667 _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 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 19667 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 19667 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET101/D-TOPO . . . . . . 19667 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19667 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.1 mM 13C 15N MtNusG-CTD in 25 mM HEPES, 150mM NaCl pH7.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-95% 13C; U-90% 15N]' . . 1 $entity . . 1.1 . . mM . . . . 19667 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 19667 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19667 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19667 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM HEPES, 150 mM NaCl pH7.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 19667 1 pressure 1 . atm 19667 1 temperature 298 . K 19667 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19667 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19667 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19667 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19667 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19667 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data analysis' 19667 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV800 _NMR_spectrometer.Entry_ID 19667 _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 19667 _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 AV800 Bruker Avance . 800 . . . 19667 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 19667 _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 $AV800 . . . . . . . . . . . . . . . . 19667 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19667 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 19667 _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 . . . . . . . . . 19667 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19667 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19667 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 19667 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 19667 1 2 '2D 1H-13C HSQC aliphatic' . . . 19667 1 3 '2D 1H-13C HSQC aromatic' . . . 19667 1 4 '3D HNCO' . . . 19667 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 ARG HA H 1 4.67 0.03 . 1 . . . A 2 ARG HA . 19667 1 2 . 1 1 2 2 ARG HB2 H 1 1.89 0.03 . 2 . . . A 2 ARG HB2 . 19667 1 3 . 1 1 2 2 ARG HB3 H 1 1.74 0.03 . 2 . . . A 2 ARG HB3 . 19667 1 4 . 1 1 2 2 ARG HG2 H 1 1.72 0.03 . 2 . . . A 2 ARG HG2 . 19667 1 5 . 1 1 2 2 ARG HG3 H 1 1.68 0.03 . 2 . . . A 2 ARG HG3 . 19667 1 6 . 1 1 2 2 ARG HD2 H 1 3.25 0.03 . 2 . . . A 2 ARG HD2 . 19667 1 7 . 1 1 2 2 ARG HD3 H 1 3.25 0.03 . 2 . . . A 2 ARG HD3 . 19667 1 8 . 1 1 2 2 ARG CA C 13 54.25 0.20 . 1 . . . A 2 ARG CA . 19667 1 9 . 1 1 2 2 ARG CB C 13 30.25 0.20 . 1 . . . A 2 ARG CB . 19667 1 10 . 1 1 2 2 ARG CG C 13 26.82 0.20 . 1 . . . A 2 ARG CG . 19667 1 11 . 1 1 2 2 ARG CD C 13 43.45 0.20 . 1 . . . A 2 ARG CD . 19667 1 12 . 1 1 3 3 PRO HA H 1 4.49 0.03 . 1 . . . A 3 PRO HA . 19667 1 13 . 1 1 3 3 PRO HB2 H 1 1.90 0.03 . 2 . . . A 3 PRO HB2 . 19667 1 14 . 1 1 3 3 PRO HB3 H 1 2.32 0.03 . 2 . . . A 3 PRO HB3 . 19667 1 15 . 1 1 3 3 PRO HG2 H 1 2.05 0.03 . 2 . . . A 3 PRO HG2 . 19667 1 16 . 1 1 3 3 PRO HG3 H 1 2.05 0.03 . 2 . . . A 3 PRO HG3 . 19667 1 17 . 1 1 3 3 PRO HD2 H 1 3.67 0.03 . 2 . . . A 3 PRO HD2 . 19667 1 18 . 1 1 3 3 PRO HD3 H 1 3.88 0.03 . 2 . . . A 3 PRO HD3 . 19667 1 19 . 1 1 3 3 PRO CA C 13 63.17 0.20 . 1 . . . A 3 PRO CA . 19667 1 20 . 1 1 3 3 PRO CB C 13 32.12 0.20 . 1 . . . A 3 PRO CB . 19667 1 21 . 1 1 3 3 PRO CG C 13 27.51 0.20 . 1 . . . A 3 PRO CG . 19667 1 22 . 1 1 3 3 PRO CD C 13 50.71 0.20 . 1 . . . A 3 PRO CD . 19667 1 23 . 1 1 4 4 VAL H H 1 8.31 0.03 . 1 . . . A 4 VAL H . 19667 1 24 . 1 1 4 4 VAL HA H 1 4.08 0.03 . 1 . . . A 4 VAL HA . 19667 1 25 . 1 1 4 4 VAL HB H 1 2.07 0.03 . 1 . . . A 4 VAL HB . 19667 1 26 . 1 1 4 4 VAL HG11 H 1 0.99 0.03 . 2 . . . A 4 VAL HG11 . 19667 1 27 . 1 1 4 4 VAL HG12 H 1 0.99 0.03 . 2 . . . A 4 VAL HG12 . 19667 1 28 . 1 1 4 4 VAL HG13 H 1 0.99 0.03 . 2 . . . A 4 VAL HG13 . 19667 1 29 . 1 1 4 4 VAL HG21 H 1 0.95 0.03 . 2 . . . A 4 VAL HG21 . 19667 1 30 . 1 1 4 4 VAL HG22 H 1 0.95 0.03 . 2 . . . A 4 VAL HG22 . 19667 1 31 . 1 1 4 4 VAL HG23 H 1 0.95 0.03 . 2 . . . A 4 VAL HG23 . 19667 1 32 . 1 1 4 4 VAL C C 13 175.94 0.20 . 1 . . . A 4 VAL C . 19667 1 33 . 1 1 4 4 VAL CA C 13 62.73 0.20 . 1 . . . A 4 VAL CA . 19667 1 34 . 1 1 4 4 VAL CB C 13 32.74 0.20 . 1 . . . A 4 VAL CB . 19667 1 35 . 1 1 4 4 VAL CG1 C 13 22.20 0.20 . 2 . . . A 4 VAL CG1 . 19667 1 36 . 1 1 4 4 VAL CG2 C 13 20.59 0.20 . 2 . . . A 4 VAL CG2 . 19667 1 37 . 1 1 4 4 VAL N N 15 121.16 0.20 . 1 . . . A 4 VAL N . 19667 1 38 . 1 1 5 5 VAL H H 1 8.16 0.03 . 1 . . . A 5 VAL H . 19667 1 39 . 1 1 5 5 VAL HA H 1 4.20 0.03 . 1 . . . A 5 VAL HA . 19667 1 40 . 1 1 5 5 VAL HB H 1 2.09 0.03 . 1 . . . A 5 VAL HB . 19667 1 41 . 1 1 5 5 VAL HG11 H 1 0.96 0.03 . 2 . . . A 5 VAL HG11 . 19667 1 42 . 1 1 5 5 VAL HG12 H 1 0.96 0.03 . 2 . . . A 5 VAL HG12 . 19667 1 43 . 1 1 5 5 VAL HG13 H 1 0.96 0.03 . 2 . . . A 5 VAL HG13 . 19667 1 44 . 1 1 5 5 VAL HG21 H 1 0.96 0.03 . 2 . . . A 5 VAL HG21 . 19667 1 45 . 1 1 5 5 VAL HG22 H 1 0.96 0.03 . 2 . . . A 5 VAL HG22 . 19667 1 46 . 1 1 5 5 VAL HG23 H 1 0.96 0.03 . 2 . . . A 5 VAL HG23 . 19667 1 47 . 1 1 5 5 VAL C C 13 175.52 0.20 . 1 . . . A 5 VAL C . 19667 1 48 . 1 1 5 5 VAL CA C 13 61.94 0.20 . 1 . . . A 5 VAL CA . 19667 1 49 . 1 1 5 5 VAL CB C 13 33.13 0.20 . 1 . . . A 5 VAL CB . 19667 1 50 . 1 1 5 5 VAL CG1 C 13 20.60 0.20 . 2 . . . A 5 VAL CG1 . 19667 1 51 . 1 1 5 5 VAL CG2 C 13 21.30 0.20 . 2 . . . A 5 VAL CG2 . 19667 1 52 . 1 1 5 5 VAL N N 15 123.66 0.20 . 1 . . . A 5 VAL N . 19667 1 53 . 1 1 6 6 GLU H H 1 8.53 0.03 . 1 . . . A 6 GLU H . 19667 1 54 . 1 1 6 6 GLU HA H 1 4.33 0.03 . 1 . . . A 6 GLU HA . 19667 1 55 . 1 1 6 6 GLU HB2 H 1 1.75 0.03 . 2 . . . A 6 GLU HB2 . 19667 1 56 . 1 1 6 6 GLU HB3 H 1 1.88 0.03 . 2 . . . A 6 GLU HB3 . 19667 1 57 . 1 1 6 6 GLU HG2 H 1 2.21 0.03 . 2 . . . A 6 GLU HG2 . 19667 1 58 . 1 1 6 6 GLU HG3 H 1 2.21 0.03 . 2 . . . A 6 GLU HG3 . 19667 1 59 . 1 1 6 6 GLU C C 13 175.52 0.20 . 1 . . . A 6 GLU C . 19667 1 60 . 1 1 6 6 GLU CA C 13 56.56 0.20 . 1 . . . A 6 GLU CA . 19667 1 61 . 1 1 6 6 GLU CB C 13 30.16 0.20 . 1 . . . A 6 GLU CB . 19667 1 62 . 1 1 6 6 GLU CG C 13 36.42 0.20 . 1 . . . A 6 GLU CG . 19667 1 63 . 1 1 6 6 GLU N N 15 125.61 0.20 . 1 . . . A 6 GLU N . 19667 1 64 . 1 1 7 7 VAL H H 1 8.03 0.03 . 1 . . . A 7 VAL H . 19667 1 65 . 1 1 7 7 VAL HA H 1 4.17 0.03 . 1 . . . A 7 VAL HA . 19667 1 66 . 1 1 7 7 VAL HB H 1 2.01 0.03 . 1 . . . A 7 VAL HB . 19667 1 67 . 1 1 7 7 VAL HG11 H 1 0.81 0.03 . 2 . . . A 7 VAL HG11 . 19667 1 68 . 1 1 7 7 VAL HG12 H 1 0.81 0.03 . 2 . . . A 7 VAL HG12 . 19667 1 69 . 1 1 7 7 VAL HG13 H 1 0.81 0.03 . 2 . . . A 7 VAL HG13 . 19667 1 70 . 1 1 7 7 VAL HG21 H 1 0.81 0.03 . 2 . . . A 7 VAL HG21 . 19667 1 71 . 1 1 7 7 VAL HG22 H 1 0.81 0.03 . 2 . . . A 7 VAL HG22 . 19667 1 72 . 1 1 7 7 VAL HG23 H 1 0.81 0.03 . 2 . . . A 7 VAL HG23 . 19667 1 73 . 1 1 7 7 VAL C C 13 174.07 0.20 . 1 . . . A 7 VAL C . 19667 1 74 . 1 1 7 7 VAL CA C 13 61.23 0.20 . 1 . . . A 7 VAL CA . 19667 1 75 . 1 1 7 7 VAL CB C 13 33.63 0.20 . 1 . . . A 7 VAL CB . 19667 1 76 . 1 1 7 7 VAL CG1 C 13 20.24 0.20 . 2 . . . A 7 VAL CG1 . 19667 1 77 . 1 1 7 7 VAL N N 15 119.54 0.20 . 1 . . . A 7 VAL N . 19667 1 78 . 1 1 8 8 ASP H H 1 8.04 0.03 . 1 . . . A 8 ASP H . 19667 1 79 . 1 1 8 8 ASP HA H 1 4.63 0.03 . 1 . . . A 8 ASP HA . 19667 1 80 . 1 1 8 8 ASP HB2 H 1 2.34 0.03 . 2 . . . A 8 ASP HB2 . 19667 1 81 . 1 1 8 8 ASP HB3 H 1 2.43 0.03 . 2 . . . A 8 ASP HB3 . 19667 1 82 . 1 1 8 8 ASP C C 13 174.09 0.20 . 1 . . . A 8 ASP C . 19667 1 83 . 1 1 8 8 ASP CA C 13 53.59 0.20 . 1 . . . A 8 ASP CA . 19667 1 84 . 1 1 8 8 ASP CB C 13 42.41 0.20 . 1 . . . A 8 ASP CB . 19667 1 85 . 1 1 8 8 ASP N N 15 123.88 0.20 . 1 . . . A 8 ASP N . 19667 1 86 . 1 1 9 9 TYR H H 1 7.76 0.03 . 1 . . . A 9 TYR H . 19667 1 87 . 1 1 9 9 TYR HA H 1 4.77 0.03 . 1 . . . A 9 TYR HA . 19667 1 88 . 1 1 9 9 TYR HB2 H 1 2.01 0.03 . 2 . . . A 9 TYR HB2 . 19667 1 89 . 1 1 9 9 TYR HB3 H 1 2.65 0.03 . 2 . . . A 9 TYR HB3 . 19667 1 90 . 1 1 9 9 TYR HD1 H 1 6.14 0.03 . 1 . . . A 9 TYR HD1 . 19667 1 91 . 1 1 9 9 TYR HD2 H 1 6.14 0.03 . 1 . . . A 9 TYR HD2 . 19667 1 92 . 1 1 9 9 TYR HE1 H 1 6.08 0.03 . 1 . . . A 9 TYR HE1 . 19667 1 93 . 1 1 9 9 TYR HE2 H 1 6.08 0.03 . 1 . . . A 9 TYR HE2 . 19667 1 94 . 1 1 9 9 TYR C C 13 174.26 0.20 . 1 . . . A 9 TYR C . 19667 1 95 . 1 1 9 9 TYR CA C 13 57.32 0.20 . 1 . . . A 9 TYR CA . 19667 1 96 . 1 1 9 9 TYR CB C 13 42.77 0.20 . 1 . . . A 9 TYR CB . 19667 1 97 . 1 1 9 9 TYR CD1 C 13 132.47 . . 1 . . . A 9 TYR CD1 . 19667 1 98 . 1 1 9 9 TYR CD2 C 13 132.47 . . 1 . . . A 9 TYR CD2 . 19667 1 99 . 1 1 9 9 TYR CE1 C 13 117.83 . . 1 . . . A 9 TYR CE1 . 19667 1 100 . 1 1 9 9 TYR CE2 C 13 117.83 . . 1 . . . A 9 TYR CE2 . 19667 1 101 . 1 1 9 9 TYR N N 15 118.63 0.20 . 1 . . . A 9 TYR N . 19667 1 102 . 1 1 10 10 GLU H H 1 8.71 0.03 . 1 . . . A 10 GLU H . 19667 1 103 . 1 1 10 10 GLU HA H 1 4.69 0.03 . 1 . . . A 10 GLU HA . 19667 1 104 . 1 1 10 10 GLU HB2 H 1 1.80 0.03 . 2 . . . A 10 GLU HB2 . 19667 1 105 . 1 1 10 10 GLU HB3 H 1 1.99 0.03 . 2 . . . A 10 GLU HB3 . 19667 1 106 . 1 1 10 10 GLU HG2 H 1 2.22 0.03 . 2 . . . A 10 GLU HG2 . 19667 1 107 . 1 1 10 10 GLU HG3 H 1 2.22 0.03 . 2 . . . A 10 GLU HG3 . 19667 1 108 . 1 1 10 10 GLU C C 13 175.22 0.20 . 1 . . . A 10 GLU C . 19667 1 109 . 1 1 10 10 GLU CA C 13 53.88 0.20 . 1 . . . A 10 GLU CA . 19667 1 110 . 1 1 10 10 GLU CB C 13 30.73 0.20 . 1 . . . A 10 GLU CB . 19667 1 111 . 1 1 10 10 GLU CG C 13 36.18 0.20 . 1 . . . A 10 GLU CG . 19667 1 112 . 1 1 10 10 GLU N N 15 119.60 0.20 . 1 . . . A 10 GLU N . 19667 1 113 . 1 1 11 11 VAL H H 1 8.60 0.03 . 1 . . . A 11 VAL H . 19667 1 114 . 1 1 11 11 VAL HA H 1 3.22 0.03 . 1 . . . A 11 VAL HA . 19667 1 115 . 1 1 11 11 VAL HB H 1 1.95 0.03 . 1 . . . A 11 VAL HB . 19667 1 116 . 1 1 11 11 VAL HG11 H 1 0.95 0.03 . 2 . . . A 11 VAL HG11 . 19667 1 117 . 1 1 11 11 VAL HG12 H 1 0.95 0.03 . 2 . . . A 11 VAL HG12 . 19667 1 118 . 1 1 11 11 VAL HG13 H 1 0.95 0.03 . 2 . . . A 11 VAL HG13 . 19667 1 119 . 1 1 11 11 VAL HG21 H 1 1.03 0.03 . 2 . . . A 11 VAL HG21 . 19667 1 120 . 1 1 11 11 VAL HG22 H 1 1.03 0.03 . 2 . . . A 11 VAL HG22 . 19667 1 121 . 1 1 11 11 VAL HG23 H 1 1.03 0.03 . 2 . . . A 11 VAL HG23 . 19667 1 122 . 1 1 11 11 VAL C C 13 177.32 0.20 . 1 . . . A 11 VAL C . 19667 1 123 . 1 1 11 11 VAL CA C 13 65.75 0.20 . 1 . . . A 11 VAL CA . 19667 1 124 . 1 1 11 11 VAL CB C 13 31.50 0.20 . 1 . . . A 11 VAL CB . 19667 1 125 . 1 1 11 11 VAL CG1 C 13 21.35 0.20 . 2 . . . A 11 VAL CG1 . 19667 1 126 . 1 1 11 11 VAL CG2 C 13 23.07 0.20 . 2 . . . A 11 VAL CG2 . 19667 1 127 . 1 1 11 11 VAL N N 15 121.50 0.20 . 1 . . . A 11 VAL N . 19667 1 128 . 1 1 12 12 GLY H H 1 8.99 0.03 . 1 . . . A 12 GLY H . 19667 1 129 . 1 1 12 12 GLY HA2 H 1 3.54 0.03 . 2 . . . A 12 GLY HA2 . 19667 1 130 . 1 1 12 12 GLY HA3 H 1 4.44 0.03 . 2 . . . A 12 GLY HA3 . 19667 1 131 . 1 1 12 12 GLY C C 13 173.83 0.20 . 1 . . . A 12 GLY C . 19667 1 132 . 1 1 12 12 GLY CA C 13 44.71 0.20 . 1 . . . A 12 GLY CA . 19667 1 133 . 1 1 12 12 GLY N N 15 115.83 0.20 . 1 . . . A 12 GLY N . 19667 1 134 . 1 1 13 13 GLU H H 1 7.76 0.03 . 1 . . . A 13 GLU H . 19667 1 135 . 1 1 13 13 GLU HA H 1 4.34 0.03 . 1 . . . A 13 GLU HA . 19667 1 136 . 1 1 13 13 GLU HB2 H 1 2.33 0.03 . 2 . . . A 13 GLU HB2 . 19667 1 137 . 1 1 13 13 GLU HB3 H 1 2.18 0.03 . 2 . . . A 13 GLU HB3 . 19667 1 138 . 1 1 13 13 GLU HG2 H 1 2.34 0.03 . 2 . . . A 13 GLU HG2 . 19667 1 139 . 1 1 13 13 GLU HG3 H 1 2.44 0.03 . 2 . . . A 13 GLU HG3 . 19667 1 140 . 1 1 13 13 GLU C C 13 175.46 0.20 . 1 . . . A 13 GLU C . 19667 1 141 . 1 1 13 13 GLU CA C 13 56.96 0.20 . 1 . . . A 13 GLU CA . 19667 1 142 . 1 1 13 13 GLU CB C 13 31.71 0.20 . 1 . . . A 13 GLU CB . 19667 1 143 . 1 1 13 13 GLU CG C 13 36.76 0.20 . 1 . . . A 13 GLU CG . 19667 1 144 . 1 1 13 13 GLU N N 15 121.78 0.20 . 1 . . . A 13 GLU N . 19667 1 145 . 1 1 14 14 SER H H 1 8.65 0.03 . 1 . . . A 14 SER H . 19667 1 146 . 1 1 14 14 SER HA H 1 5.35 0.03 . 1 . . . A 14 SER HA . 19667 1 147 . 1 1 14 14 SER HB2 H 1 3.84 0.03 . 2 . . . A 14 SER HB2 . 19667 1 148 . 1 1 14 14 SER HB3 H 1 3.97 0.03 . 2 . . . A 14 SER HB3 . 19667 1 149 . 1 1 14 14 SER C C 13 173.60 0.20 . 1 . . . A 14 SER C . 19667 1 150 . 1 1 14 14 SER CA C 13 58.28 0.20 . 1 . . . A 14 SER CA . 19667 1 151 . 1 1 14 14 SER CB C 13 64.35 0.20 . 1 . . . A 14 SER CB . 19667 1 152 . 1 1 14 14 SER N N 15 119.23 0.20 . 1 . . . A 14 SER N . 19667 1 153 . 1 1 15 15 VAL H H 1 8.92 0.03 . 1 . . . A 15 VAL H . 19667 1 154 . 1 1 15 15 VAL HA H 1 5.01 0.03 . 1 . . . A 15 VAL HA . 19667 1 155 . 1 1 15 15 VAL HB H 1 2.11 0.03 . 1 . . . A 15 VAL HB . 19667 1 156 . 1 1 15 15 VAL HG11 H 1 0.78 0.03 . 2 . . . A 15 VAL HG11 . 19667 1 157 . 1 1 15 15 VAL HG12 H 1 0.78 0.03 . 2 . . . A 15 VAL HG12 . 19667 1 158 . 1 1 15 15 VAL HG13 H 1 0.78 0.03 . 2 . . . A 15 VAL HG13 . 19667 1 159 . 1 1 15 15 VAL HG21 H 1 0.42 0.03 . 2 . . . A 15 VAL HG21 . 19667 1 160 . 1 1 15 15 VAL HG22 H 1 0.42 0.03 . 2 . . . A 15 VAL HG22 . 19667 1 161 . 1 1 15 15 VAL HG23 H 1 0.42 0.03 . 2 . . . A 15 VAL HG23 . 19667 1 162 . 1 1 15 15 VAL C C 13 174.22 0.20 . 1 . . . A 15 VAL C . 19667 1 163 . 1 1 15 15 VAL CA C 13 58.81 0.20 . 1 . . . A 15 VAL CA . 19667 1 164 . 1 1 15 15 VAL CB C 13 36.68 0.20 . 1 . . . A 15 VAL CB . 19667 1 165 . 1 1 15 15 VAL CG1 C 13 23.08 0.20 . 2 . . . A 15 VAL CG1 . 19667 1 166 . 1 1 15 15 VAL CG2 C 13 17.68 0.20 . 2 . . . A 15 VAL CG2 . 19667 1 167 . 1 1 15 15 VAL N N 15 116.18 0.20 . 1 . . . A 15 VAL N . 19667 1 168 . 1 1 16 16 THR H H 1 8.89 0.03 . 1 . . . A 16 THR H . 19667 1 169 . 1 1 16 16 THR HA H 1 4.70 0.03 . 1 . . . A 16 THR HA . 19667 1 170 . 1 1 16 16 THR HB H 1 3.76 0.03 . 1 . . . A 16 THR HB . 19667 1 171 . 1 1 16 16 THR HG21 H 1 0.99 0.03 . 1 . . . A 16 THR HG21 . 19667 1 172 . 1 1 16 16 THR HG22 H 1 0.99 0.03 . 1 . . . A 16 THR HG22 . 19667 1 173 . 1 1 16 16 THR HG23 H 1 0.99 0.03 . 1 . . . A 16 THR HG23 . 19667 1 174 . 1 1 16 16 THR C C 13 174.30 0.20 . 1 . . . A 16 THR C . 19667 1 175 . 1 1 16 16 THR CA C 13 61.85 0.20 . 1 . . . A 16 THR CA . 19667 1 176 . 1 1 16 16 THR CB C 13 70.07 0.20 . 1 . . . A 16 THR CB . 19667 1 177 . 1 1 16 16 THR N N 15 116.71 0.20 . 1 . . . A 16 THR N . 19667 1 178 . 1 1 17 17 VAL H H 1 8.82 0.03 . 1 . . . A 17 VAL H . 19667 1 179 . 1 1 17 17 VAL HA H 1 3.85 0.03 . 1 . . . A 17 VAL HA . 19667 1 180 . 1 1 17 17 VAL HB H 1 2.43 0.03 . 1 . . . A 17 VAL HB . 19667 1 181 . 1 1 17 17 VAL HG11 H 1 1.07 0.03 . 2 . . . A 17 VAL HG11 . 19667 1 182 . 1 1 17 17 VAL HG12 H 1 1.07 0.03 . 2 . . . A 17 VAL HG12 . 19667 1 183 . 1 1 17 17 VAL HG13 H 1 1.07 0.03 . 2 . . . A 17 VAL HG13 . 19667 1 184 . 1 1 17 17 VAL HG21 H 1 0.76 0.03 . 2 . . . A 17 VAL HG21 . 19667 1 185 . 1 1 17 17 VAL HG22 H 1 0.76 0.03 . 2 . . . A 17 VAL HG22 . 19667 1 186 . 1 1 17 17 VAL HG23 H 1 0.76 0.03 . 2 . . . A 17 VAL HG23 . 19667 1 187 . 1 1 17 17 VAL C C 13 176.88 0.20 . 1 . . . A 17 VAL C . 19667 1 188 . 1 1 17 17 VAL CA C 13 64.55 0.20 . 1 . . . A 17 VAL CA . 19667 1 189 . 1 1 17 17 VAL CB C 13 30.69 0.20 . 1 . . . A 17 VAL CB . 19667 1 190 . 1 1 17 17 VAL CG1 C 13 22.88 0.20 . 2 . . . A 17 VAL CG1 . 19667 1 191 . 1 1 17 17 VAL CG2 C 13 21.95 0.20 . 2 . . . A 17 VAL CG2 . 19667 1 192 . 1 1 17 17 VAL N N 15 127.93 0.20 . 1 . . . A 17 VAL N . 19667 1 193 . 1 1 18 18 MET H H 1 9.07 0.03 . 1 . . . A 18 MET H . 19667 1 194 . 1 1 18 18 MET HA H 1 4.86 0.03 . 1 . . . A 18 MET HA . 19667 1 195 . 1 1 18 18 MET HB2 H 1 1.61 0.03 . 2 . . . A 18 MET HB2 . 19667 1 196 . 1 1 18 18 MET HB3 H 1 2.18 0.03 . 2 . . . A 18 MET HB3 . 19667 1 197 . 1 1 18 18 MET HG2 H 1 2.53 0.03 . 2 . . . A 18 MET HG2 . 19667 1 198 . 1 1 18 18 MET HG3 H 1 2.32 0.03 . 2 . . . A 18 MET HG3 . 19667 1 199 . 1 1 18 18 MET HE1 H 1 2.05 0.03 . 1 . . . A 18 MET HE1 . 19667 1 200 . 1 1 18 18 MET HE2 H 1 2.05 0.03 . 1 . . . A 18 MET HE2 . 19667 1 201 . 1 1 18 18 MET HE3 H 1 2.05 0.03 . 1 . . . A 18 MET HE3 . 19667 1 202 . 1 1 18 18 MET C C 13 175.36 0.20 . 1 . . . A 18 MET C . 19667 1 203 . 1 1 18 18 MET CA C 13 54.44 0.20 . 1 . . . A 18 MET CA . 19667 1 204 . 1 1 18 18 MET CB C 13 32.72 0.20 . 1 . . . A 18 MET CB . 19667 1 205 . 1 1 18 18 MET CG C 13 31.51 0.20 . 1 . . . A 18 MET CG . 19667 1 206 . 1 1 18 18 MET CE C 13 16.01 0.20 . 1 . . . A 18 MET CE . 19667 1 207 . 1 1 18 18 MET N N 15 124.42 0.20 . 1 . . . A 18 MET N . 19667 1 208 . 1 1 19 19 ASP H H 1 7.38 0.03 . 1 . . . A 19 ASP H . 19667 1 209 . 1 1 19 19 ASP HA H 1 5.00 0.03 . 1 . . . A 19 ASP HA . 19667 1 210 . 1 1 19 19 ASP HB2 H 1 2.45 0.03 . 2 . . . A 19 ASP HB2 . 19667 1 211 . 1 1 19 19 ASP HB3 H 1 2.77 0.03 . 2 . . . A 19 ASP HB3 . 19667 1 212 . 1 1 19 19 ASP C C 13 174.38 0.20 . 1 . . . A 19 ASP C . 19667 1 213 . 1 1 19 19 ASP CA C 13 53.28 0.20 . 1 . . . A 19 ASP CA . 19667 1 214 . 1 1 19 19 ASP CB C 13 46.23 0.20 . 1 . . . A 19 ASP CB . 19667 1 215 . 1 1 19 19 ASP N N 15 118.00 0.20 . 1 . . . A 19 ASP N . 19667 1 216 . 1 1 20 20 GLY H H 1 8.28 0.03 . 1 . . . A 20 GLY H . 19667 1 217 . 1 1 20 20 GLY HA2 H 1 3.86 0.03 . 2 . . . A 20 GLY HA2 . 19667 1 218 . 1 1 20 20 GLY HA3 H 1 4.38 0.03 . 2 . . . A 20 GLY HA3 . 19667 1 219 . 1 1 20 20 GLY CA C 13 45.27 0.20 . 1 . . . A 20 GLY CA . 19667 1 220 . 1 1 20 20 GLY N N 15 107.90 0.20 . 1 . . . A 20 GLY N . 19667 1 221 . 1 1 21 21 PRO HA H 1 4.17 0.03 . 1 . . . A 21 PRO HA . 19667 1 222 . 1 1 21 21 PRO HB2 H 1 2.06 0.03 . 2 . . . A 21 PRO HB2 . 19667 1 223 . 1 1 21 21 PRO HB3 H 1 1.05 0.03 . 2 . . . A 21 PRO HB3 . 19667 1 224 . 1 1 21 21 PRO HG2 H 1 1.62 0.03 . 2 . . . A 21 PRO HG2 . 19667 1 225 . 1 1 21 21 PRO HG3 H 1 1.84 0.03 . 2 . . . A 21 PRO HG3 . 19667 1 226 . 1 1 21 21 PRO HD2 H 1 3.76 0.03 . 2 . . . A 21 PRO HD2 . 19667 1 227 . 1 1 21 21 PRO HD3 H 1 3.48 0.03 . 2 . . . A 21 PRO HD3 . 19667 1 228 . 1 1 21 21 PRO C C 13 177.58 0.20 . 1 . . . A 21 PRO C . 19667 1 229 . 1 1 21 21 PRO CA C 13 64.40 0.20 . 1 . . . A 21 PRO CA . 19667 1 230 . 1 1 21 21 PRO CB C 13 31.67 0.20 . 1 . . . A 21 PRO CB . 19667 1 231 . 1 1 21 21 PRO CG C 13 27.01 0.20 . 1 . . . A 21 PRO CG . 19667 1 232 . 1 1 21 21 PRO CD C 13 49.56 0.20 . 1 . . . A 21 PRO CD . 19667 1 233 . 1 1 22 22 PHE H H 1 8.87 0.03 . 1 . . . A 22 PHE H . 19667 1 234 . 1 1 22 22 PHE HA H 1 4.72 0.03 . 1 . . . A 22 PHE HA . 19667 1 235 . 1 1 22 22 PHE HB2 H 1 3.48 0.03 . 2 . . . A 22 PHE HB2 . 19667 1 236 . 1 1 22 22 PHE HB3 H 1 3.03 0.03 . 2 . . . A 22 PHE HB3 . 19667 1 237 . 1 1 22 22 PHE HD1 H 1 7.17 0.03 . 1 . . . A 22 PHE HD1 . 19667 1 238 . 1 1 22 22 PHE HD2 H 1 7.17 0.03 . 1 . . . A 22 PHE HD2 . 19667 1 239 . 1 1 22 22 PHE HE1 H 1 7.28 0.03 . 1 . . . A 22 PHE HE1 . 19667 1 240 . 1 1 22 22 PHE HE2 H 1 7.28 0.03 . 1 . . . A 22 PHE HE2 . 19667 1 241 . 1 1 22 22 PHE HZ H 1 7.26 0.03 . 1 . . . A 22 PHE HZ . 19667 1 242 . 1 1 22 22 PHE C C 13 173.13 0.20 . 1 . . . A 22 PHE C . 19667 1 243 . 1 1 22 22 PHE CA C 13 56.14 0.20 . 1 . . . A 22 PHE CA . 19667 1 244 . 1 1 22 22 PHE CB C 13 36.95 0.20 . 1 . . . A 22 PHE CB . 19667 1 245 . 1 1 22 22 PHE CD1 C 13 131.20 . . 1 . . . A 22 PHE CD1 . 19667 1 246 . 1 1 22 22 PHE CD2 C 13 131.20 . . 1 . . . A 22 PHE CD2 . 19667 1 247 . 1 1 22 22 PHE CE1 C 13 131.60 . . 1 . . . A 22 PHE CE1 . 19667 1 248 . 1 1 22 22 PHE CE2 C 13 131.60 . . 1 . . . A 22 PHE CE2 . 19667 1 249 . 1 1 22 22 PHE CZ C 13 129.70 . . 1 . . . A 22 PHE CZ . 19667 1 250 . 1 1 22 22 PHE N N 15 116.80 0.20 . 1 . . . A 22 PHE N . 19667 1 251 . 1 1 23 23 ALA H H 1 7.41 0.03 . 1 . . . A 23 ALA H . 19667 1 252 . 1 1 23 23 ALA HA H 1 3.59 0.03 . 1 . . . A 23 ALA HA . 19667 1 253 . 1 1 23 23 ALA HB1 H 1 1.31 0.03 . 1 . . . A 23 ALA HB1 . 19667 1 254 . 1 1 23 23 ALA HB2 H 1 1.31 0.03 . 1 . . . A 23 ALA HB2 . 19667 1 255 . 1 1 23 23 ALA HB3 H 1 1.31 0.03 . 1 . . . A 23 ALA HB3 . 19667 1 256 . 1 1 23 23 ALA C C 13 178.83 0.20 . 1 . . . A 23 ALA C . 19667 1 257 . 1 1 23 23 ALA CA C 13 53.57 0.20 . 1 . . . A 23 ALA CA . 19667 1 258 . 1 1 23 23 ALA CB C 13 18.47 0.20 . 1 . . . A 23 ALA CB . 19667 1 259 . 1 1 23 23 ALA N N 15 120.16 0.20 . 1 . . . A 23 ALA N . 19667 1 260 . 1 1 24 24 THR H H 1 9.14 0.03 . 1 . . . A 24 THR H . 19667 1 261 . 1 1 24 24 THR HA H 1 4.06 0.03 . 1 . . . A 24 THR HA . 19667 1 262 . 1 1 24 24 THR HB H 1 4.46 0.03 . 1 . . . A 24 THR HB . 19667 1 263 . 1 1 24 24 THR HG21 H 1 1.20 0.03 . 1 . . . A 24 THR HG21 . 19667 1 264 . 1 1 24 24 THR HG22 H 1 1.20 0.03 . 1 . . . A 24 THR HG22 . 19667 1 265 . 1 1 24 24 THR HG23 H 1 1.20 0.03 . 1 . . . A 24 THR HG23 . 19667 1 266 . 1 1 24 24 THR C C 13 173.55 0.20 . 1 . . . A 24 THR C . 19667 1 267 . 1 1 24 24 THR CA C 13 65.80 0.20 . 1 . . . A 24 THR CA . 19667 1 268 . 1 1 24 24 THR CB C 13 69.24 0.20 . 1 . . . A 24 THR CB . 19667 1 269 . 1 1 24 24 THR N N 15 114.39 0.20 . 1 . . . A 24 THR N . 19667 1 270 . 1 1 25 25 LEU H H 1 8.09 0.03 . 1 . . . A 25 LEU H . 19667 1 271 . 1 1 25 25 LEU HA H 1 4.75 0.03 . 1 . . . A 25 LEU HA . 19667 1 272 . 1 1 25 25 LEU HB2 H 1 2.11 0.03 . 2 . . . A 25 LEU HB2 . 19667 1 273 . 1 1 25 25 LEU HB3 H 1 1.54 0.03 . 2 . . . A 25 LEU HB3 . 19667 1 274 . 1 1 25 25 LEU HG H 1 1.65 0.03 . 1 . . . A 25 LEU HG . 19667 1 275 . 1 1 25 25 LEU HD11 H 1 1.04 0.03 . 2 . . . A 25 LEU HD11 . 19667 1 276 . 1 1 25 25 LEU HD12 H 1 1.04 0.03 . 2 . . . A 25 LEU HD12 . 19667 1 277 . 1 1 25 25 LEU HD13 H 1 1.04 0.03 . 2 . . . A 25 LEU HD13 . 19667 1 278 . 1 1 25 25 LEU HD21 H 1 0.94 0.03 . 2 . . . A 25 LEU HD21 . 19667 1 279 . 1 1 25 25 LEU HD22 H 1 0.94 0.03 . 2 . . . A 25 LEU HD22 . 19667 1 280 . 1 1 25 25 LEU HD23 H 1 0.94 0.03 . 2 . . . A 25 LEU HD23 . 19667 1 281 . 1 1 25 25 LEU CA C 13 53.63 0.20 . 1 . . . A 25 LEU CA . 19667 1 282 . 1 1 25 25 LEU CB C 13 40.31 0.20 . 1 . . . A 25 LEU CB . 19667 1 283 . 1 1 25 25 LEU CG C 13 27.62 0.20 . 1 . . . A 25 LEU CG . 19667 1 284 . 1 1 25 25 LEU CD1 C 13 25.98 0.20 . 2 . . . A 25 LEU CD1 . 19667 1 285 . 1 1 25 25 LEU CD2 C 13 22.43 0.20 . 2 . . . A 25 LEU CD2 . 19667 1 286 . 1 1 25 25 LEU N N 15 124.68 0.20 . 1 . . . A 25 LEU N . 19667 1 287 . 1 1 26 26 PRO HA H 1 5.15 0.03 . 1 . . . A 26 PRO HA . 19667 1 288 . 1 1 26 26 PRO HB2 H 1 2.29 0.03 . 2 . . . A 26 PRO HB2 . 19667 1 289 . 1 1 26 26 PRO HB3 H 1 1.98 0.03 . 2 . . . A 26 PRO HB3 . 19667 1 290 . 1 1 26 26 PRO HG2 H 1 2.17 0.03 . 2 . . . A 26 PRO HG2 . 19667 1 291 . 1 1 26 26 PRO HG3 H 1 2.13 0.03 . 2 . . . A 26 PRO HG3 . 19667 1 292 . 1 1 26 26 PRO HD2 H 1 3.80 0.03 . 2 . . . A 26 PRO HD2 . 19667 1 293 . 1 1 26 26 PRO HD3 H 1 3.94 0.03 . 2 . . . A 26 PRO HD3 . 19667 1 294 . 1 1 26 26 PRO C C 13 176.04 0.20 . 1 . . . A 26 PRO C . 19667 1 295 . 1 1 26 26 PRO CA C 13 61.93 0.20 . 1 . . . A 26 PRO CA . 19667 1 296 . 1 1 26 26 PRO CB C 13 32.39 0.20 . 1 . . . A 26 PRO CB . 19667 1 297 . 1 1 26 26 PRO CG C 13 26.99 0.20 . 1 . . . A 26 PRO CG . 19667 1 298 . 1 1 26 26 PRO CD C 13 50.14 0.20 . 1 . . . A 26 PRO CD . 19667 1 299 . 1 1 27 27 ALA H H 1 8.97 0.03 . 1 . . . A 27 ALA H . 19667 1 300 . 1 1 27 27 ALA HA H 1 5.02 0.03 . 1 . . . A 27 ALA HA . 19667 1 301 . 1 1 27 27 ALA HB1 H 1 0.95 0.03 . 1 . . . A 27 ALA HB1 . 19667 1 302 . 1 1 27 27 ALA HB2 H 1 0.95 0.03 . 1 . . . A 27 ALA HB2 . 19667 1 303 . 1 1 27 27 ALA HB3 H 1 0.95 0.03 . 1 . . . A 27 ALA HB3 . 19667 1 304 . 1 1 27 27 ALA C C 13 176.00 0.20 . 1 . . . A 27 ALA C . 19667 1 305 . 1 1 27 27 ALA CA C 13 50.60 0.20 . 1 . . . A 27 ALA CA . 19667 1 306 . 1 1 27 27 ALA CB C 13 24.12 0.20 . 1 . . . A 27 ALA CB . 19667 1 307 . 1 1 27 27 ALA N N 15 121.18 0.20 . 1 . . . A 27 ALA N . 19667 1 308 . 1 1 28 28 THR H H 1 7.96 0.03 . 1 . . . A 28 THR H . 19667 1 309 . 1 1 28 28 THR HA H 1 5.06 0.03 . 1 . . . A 28 THR HA . 19667 1 310 . 1 1 28 28 THR HB H 1 3.79 0.03 . 1 . . . A 28 THR HB . 19667 1 311 . 1 1 28 28 THR HG21 H 1 1.10 0.03 . 1 . . . A 28 THR HG21 . 19667 1 312 . 1 1 28 28 THR HG22 H 1 1.10 0.03 . 1 . . . A 28 THR HG22 . 19667 1 313 . 1 1 28 28 THR HG23 H 1 1.10 0.03 . 1 . . . A 28 THR HG23 . 19667 1 314 . 1 1 28 28 THR C C 13 174.89 0.20 . 1 . . . A 28 THR C . 19667 1 315 . 1 1 28 28 THR CA C 13 60.81 0.20 . 1 . . . A 28 THR CA . 19667 1 316 . 1 1 28 28 THR CB C 13 71.02 0.20 . 1 . . . A 28 THR CB . 19667 1 317 . 1 1 28 28 THR N N 15 113.95 0.20 . 1 . . . A 28 THR N . 19667 1 318 . 1 1 29 29 ILE H H 1 8.94 0.03 . 1 . . . A 29 ILE H . 19667 1 319 . 1 1 29 29 ILE HA H 1 3.96 0.03 . 1 . . . A 29 ILE HA . 19667 1 320 . 1 1 29 29 ILE HB H 1 2.15 0.03 . 1 . . . A 29 ILE HB . 19667 1 321 . 1 1 29 29 ILE HG12 H 1 0.76 0.03 . 2 . . . A 29 ILE HG12 . 19667 1 322 . 1 1 29 29 ILE HG13 H 1 1.78 0.03 . 2 . . . A 29 ILE HG13 . 19667 1 323 . 1 1 29 29 ILE HG21 H 1 0.74 0.03 . 1 . . . A 29 ILE HG21 . 19667 1 324 . 1 1 29 29 ILE HG22 H 1 0.74 0.03 . 1 . . . A 29 ILE HG22 . 19667 1 325 . 1 1 29 29 ILE HG23 H 1 0.74 0.03 . 1 . . . A 29 ILE HG23 . 19667 1 326 . 1 1 29 29 ILE HD11 H 1 0.74 0.03 . 1 . . . A 29 ILE HD11 . 19667 1 327 . 1 1 29 29 ILE HD12 H 1 0.74 0.03 . 1 . . . A 29 ILE HD12 . 19667 1 328 . 1 1 29 29 ILE HD13 H 1 0.74 0.03 . 1 . . . A 29 ILE HD13 . 19667 1 329 . 1 1 29 29 ILE C C 13 176.19 0.20 . 1 . . . A 29 ILE C . 19667 1 330 . 1 1 29 29 ILE CA C 13 63.89 0.20 . 1 . . . A 29 ILE CA . 19667 1 331 . 1 1 29 29 ILE CB C 13 37.77 0.20 . 1 . . . A 29 ILE CB . 19667 1 332 . 1 1 29 29 ILE CG1 C 13 28.16 0.20 . 1 . . . A 29 ILE CG1 . 19667 1 333 . 1 1 29 29 ILE CG2 C 13 19.55 0.20 . 1 . . . A 29 ILE CG2 . 19667 1 334 . 1 1 29 29 ILE CD1 C 13 14.51 0.20 . 1 . . . A 29 ILE CD1 . 19667 1 335 . 1 1 29 29 ILE N N 15 125.42 0.20 . 1 . . . A 29 ILE N . 19667 1 336 . 1 1 30 30 SER H H 1 9.75 0.03 . 1 . . . A 30 SER H . 19667 1 337 . 1 1 30 30 SER HA H 1 4.72 0.03 . 1 . . . A 30 SER HA . 19667 1 338 . 1 1 30 30 SER HB2 H 1 3.55 0.03 . 2 . . . A 30 SER HB2 . 19667 1 339 . 1 1 30 30 SER HB3 H 1 3.82 0.03 . 2 . . . A 30 SER HB3 . 19667 1 340 . 1 1 30 30 SER C C 13 173.78 0.20 . 1 . . . A 30 SER C . 19667 1 341 . 1 1 30 30 SER CA C 13 59.13 0.20 . 1 . . . A 30 SER CA . 19667 1 342 . 1 1 30 30 SER CB C 13 64.89 0.20 . 1 . . . A 30 SER CB . 19667 1 343 . 1 1 30 30 SER N N 15 126.42 0.20 . 1 . . . A 30 SER N . 19667 1 344 . 1 1 31 31 GLU H H 1 7.98 0.03 . 1 . . . A 31 GLU H . 19667 1 345 . 1 1 31 31 GLU HA H 1 4.51 0.03 . 1 . . . A 31 GLU HA . 19667 1 346 . 1 1 31 31 GLU HB2 H 1 1.94 0.03 . 2 . . . A 31 GLU HB2 . 19667 1 347 . 1 1 31 31 GLU HB3 H 1 1.94 0.03 . 2 . . . A 31 GLU HB3 . 19667 1 348 . 1 1 31 31 GLU HG2 H 1 2.18 0.03 . 2 . . . A 31 GLU HG2 . 19667 1 349 . 1 1 31 31 GLU HG3 H 1 2.25 0.03 . 2 . . . A 31 GLU HG3 . 19667 1 350 . 1 1 31 31 GLU C C 13 173.52 0.20 . 1 . . . A 31 GLU C . 19667 1 351 . 1 1 31 31 GLU CA C 13 56.53 0.20 . 1 . . . A 31 GLU CA . 19667 1 352 . 1 1 31 31 GLU CB C 13 34.55 0.20 . 1 . . . A 31 GLU CB . 19667 1 353 . 1 1 31 31 GLU CG C 13 36.72 0.20 . 1 . . . A 31 GLU CG . 19667 1 354 . 1 1 31 31 GLU N N 15 120.57 0.20 . 1 . . . A 31 GLU N . 19667 1 355 . 1 1 32 32 VAL H H 1 8.92 0.03 . 1 . . . A 32 VAL H . 19667 1 356 . 1 1 32 32 VAL HA H 1 4.36 0.03 . 1 . . . A 32 VAL HA . 19667 1 357 . 1 1 32 32 VAL HB H 1 2.07 0.03 . 1 . . . A 32 VAL HB . 19667 1 358 . 1 1 32 32 VAL HG11 H 1 0.78 0.03 . 2 . . . A 32 VAL HG11 . 19667 1 359 . 1 1 32 32 VAL HG12 H 1 0.78 0.03 . 2 . . . A 32 VAL HG12 . 19667 1 360 . 1 1 32 32 VAL HG13 H 1 0.78 0.03 . 2 . . . A 32 VAL HG13 . 19667 1 361 . 1 1 32 32 VAL HG21 H 1 1.13 0.03 . 2 . . . A 32 VAL HG21 . 19667 1 362 . 1 1 32 32 VAL HG22 H 1 1.13 0.03 . 2 . . . A 32 VAL HG22 . 19667 1 363 . 1 1 32 32 VAL HG23 H 1 1.13 0.03 . 2 . . . A 32 VAL HG23 . 19667 1 364 . 1 1 32 32 VAL C C 13 174.10 0.20 . 1 . . . A 32 VAL C . 19667 1 365 . 1 1 32 32 VAL CA C 13 61.99 0.20 . 1 . . . A 32 VAL CA . 19667 1 366 . 1 1 32 32 VAL CB C 13 34.96 0.20 . 1 . . . A 32 VAL CB . 19667 1 367 . 1 1 32 32 VAL CG1 C 13 21.38 0.20 . 2 . . . A 32 VAL CG1 . 19667 1 368 . 1 1 32 32 VAL CG2 C 13 21.00 0.20 . 2 . . . A 32 VAL CG2 . 19667 1 369 . 1 1 32 32 VAL N N 15 123.36 0.20 . 1 . . . A 32 VAL N . 19667 1 370 . 1 1 33 33 ASN H H 1 8.88 0.03 . 1 . . . A 33 ASN H . 19667 1 371 . 1 1 33 33 ASN HA H 1 5.10 0.03 . 1 . . . A 33 ASN HA . 19667 1 372 . 1 1 33 33 ASN HB2 H 1 2.64 0.03 . 2 . . . A 33 ASN HB2 . 19667 1 373 . 1 1 33 33 ASN HB3 H 1 2.97 0.03 . 2 . . . A 33 ASN HB3 . 19667 1 374 . 1 1 33 33 ASN HD21 H 1 7.69 0.03 . 1 . . . A 33 ASN HD21 . 19667 1 375 . 1 1 33 33 ASN HD22 H 1 6.95 0.03 . 1 . . . A 33 ASN HD22 . 19667 1 376 . 1 1 33 33 ASN C C 13 174.95 0.20 . 1 . . . A 33 ASN C . 19667 1 377 . 1 1 33 33 ASN CA C 13 51.39 0.20 . 1 . . . A 33 ASN CA . 19667 1 378 . 1 1 33 33 ASN CB C 13 38.51 0.20 . 1 . . . A 33 ASN CB . 19667 1 379 . 1 1 33 33 ASN N N 15 126.24 0.20 . 1 . . . A 33 ASN N . 19667 1 380 . 1 1 33 33 ASN ND2 N 15 111.71 0.20 . 1 . . . A 33 ASN ND2 . 19667 1 381 . 1 1 34 34 ALA H H 1 9.12 0.03 . 1 . . . A 34 ALA H . 19667 1 382 . 1 1 34 34 ALA HA H 1 4.13 0.03 . 1 . . . A 34 ALA HA . 19667 1 383 . 1 1 34 34 ALA HB1 H 1 1.65 0.03 . 1 . . . A 34 ALA HB1 . 19667 1 384 . 1 1 34 34 ALA HB2 H 1 1.65 0.03 . 1 . . . A 34 ALA HB2 . 19667 1 385 . 1 1 34 34 ALA HB3 H 1 1.65 0.03 . 1 . . . A 34 ALA HB3 . 19667 1 386 . 1 1 34 34 ALA C C 13 179.80 0.20 . 1 . . . A 34 ALA C . 19667 1 387 . 1 1 34 34 ALA CA C 13 55.63 0.20 . 1 . . . A 34 ALA CA . 19667 1 388 . 1 1 34 34 ALA CB C 13 18.64 0.20 . 1 . . . A 34 ALA CB . 19667 1 389 . 1 1 34 34 ALA N N 15 126.96 0.20 . 1 . . . A 34 ALA N . 19667 1 390 . 1 1 35 35 GLU H H 1 8.71 0.03 . 1 . . . A 35 GLU H . 19667 1 391 . 1 1 35 35 GLU HA H 1 4.06 0.03 . 1 . . . A 35 GLU HA . 19667 1 392 . 1 1 35 35 GLU HB2 H 1 2.10 0.03 . 2 . . . A 35 GLU HB2 . 19667 1 393 . 1 1 35 35 GLU HB3 H 1 2.20 0.03 . 2 . . . A 35 GLU HB3 . 19667 1 394 . 1 1 35 35 GLU HG2 H 1 2.35 0.03 . 2 . . . A 35 GLU HG2 . 19667 1 395 . 1 1 35 35 GLU HG3 H 1 2.42 0.03 . 2 . . . A 35 GLU HG3 . 19667 1 396 . 1 1 35 35 GLU C C 13 177.96 0.20 . 1 . . . A 35 GLU C . 19667 1 397 . 1 1 35 35 GLU CA C 13 59.73 0.20 . 1 . . . A 35 GLU CA . 19667 1 398 . 1 1 35 35 GLU CB C 13 29.33 0.20 . 1 . . . A 35 GLU CB . 19667 1 399 . 1 1 35 35 GLU CG C 13 36.75 0.20 . 1 . . . A 35 GLU CG . 19667 1 400 . 1 1 35 35 GLU N N 15 118.69 0.20 . 1 . . . A 35 GLU N . 19667 1 401 . 1 1 36 36 GLN H H 1 7.24 0.03 . 1 . . . A 36 GLN H . 19667 1 402 . 1 1 36 36 GLN HA H 1 4.29 0.03 . 1 . . . A 36 GLN HA . 19667 1 403 . 1 1 36 36 GLN HB2 H 1 1.38 0.03 . 2 . . . A 36 GLN HB2 . 19667 1 404 . 1 1 36 36 GLN HB3 H 1 2.23 0.03 . 2 . . . A 36 GLN HB3 . 19667 1 405 . 1 1 36 36 GLN HG2 H 1 2.32 0.03 . 2 . . . A 36 GLN HG2 . 19667 1 406 . 1 1 36 36 GLN HG3 H 1 2.32 0.03 . 2 . . . A 36 GLN HG3 . 19667 1 407 . 1 1 36 36 GLN HE21 H 1 7.57 0.03 . 1 . . . A 36 GLN HE21 . 19667 1 408 . 1 1 36 36 GLN HE22 H 1 6.83 0.03 . 1 . . . A 36 GLN HE22 . 19667 1 409 . 1 1 36 36 GLN C C 13 173.89 0.20 . 1 . . . A 36 GLN C . 19667 1 410 . 1 1 36 36 GLN CA C 13 54.72 0.20 . 1 . . . A 36 GLN CA . 19667 1 411 . 1 1 36 36 GLN CB C 13 29.31 0.20 . 1 . . . A 36 GLN CB . 19667 1 412 . 1 1 36 36 GLN CG C 13 34.04 0.20 . 1 . . . A 36 GLN CG . 19667 1 413 . 1 1 36 36 GLN N N 15 113.48 0.20 . 1 . . . A 36 GLN N . 19667 1 414 . 1 1 36 36 GLN NE2 N 15 112.36 0.20 . 1 . . . A 36 GLN NE2 . 19667 1 415 . 1 1 37 37 GLN H H 1 7.55 0.03 . 1 . . . A 37 GLN H . 19667 1 416 . 1 1 37 37 GLN HA H 1 2.14 0.03 . 1 . . . A 37 GLN HA . 19667 1 417 . 1 1 37 37 GLN HB2 H 1 2.09 0.03 . 2 . . . A 37 GLN HB2 . 19667 1 418 . 1 1 37 37 GLN HB3 H 1 1.41 0.03 . 2 . . . A 37 GLN HB3 . 19667 1 419 . 1 1 37 37 GLN HG2 H 1 1.84 0.03 . 2 . . . A 37 GLN HG2 . 19667 1 420 . 1 1 37 37 GLN HG3 H 1 2.08 0.03 . 2 . . . A 37 GLN HG3 . 19667 1 421 . 1 1 37 37 GLN HE21 H 1 7.59 0.03 . 1 . . . A 37 GLN HE21 . 19667 1 422 . 1 1 37 37 GLN HE22 H 1 6.79 0.03 . 1 . . . A 37 GLN HE22 . 19667 1 423 . 1 1 37 37 GLN C C 13 174.57 0.20 . 1 . . . A 37 GLN C . 19667 1 424 . 1 1 37 37 GLN CA C 13 56.61 0.20 . 1 . . . A 37 GLN CA . 19667 1 425 . 1 1 37 37 GLN CB C 13 25.74 0.20 . 1 . . . A 37 GLN CB . 19667 1 426 . 1 1 37 37 GLN CG C 13 34.14 0.20 . 1 . . . A 37 GLN CG . 19667 1 427 . 1 1 37 37 GLN N N 15 116.18 0.20 . 1 . . . A 37 GLN N . 19667 1 428 . 1 1 37 37 GLN NE2 N 15 112.50 0.20 . 1 . . . A 37 GLN NE2 . 19667 1 429 . 1 1 38 38 LYS H H 1 7.79 0.03 . 1 . . . A 38 LYS H . 19667 1 430 . 1 1 38 38 LYS HA H 1 5.01 0.03 . 1 . . . A 38 LYS HA . 19667 1 431 . 1 1 38 38 LYS HB2 H 1 1.49 0.03 . 2 . . . A 38 LYS HB2 . 19667 1 432 . 1 1 38 38 LYS HB3 H 1 1.81 0.03 . 2 . . . A 38 LYS HB3 . 19667 1 433 . 1 1 38 38 LYS HG2 H 1 1.21 0.03 . 2 . . . A 38 LYS HG2 . 19667 1 434 . 1 1 38 38 LYS HG3 H 1 1.41 0.03 . 2 . . . A 38 LYS HG3 . 19667 1 435 . 1 1 38 38 LYS HD2 H 1 1.50 0.03 . 2 . . . A 38 LYS HD2 . 19667 1 436 . 1 1 38 38 LYS HD3 H 1 1.50 0.03 . 2 . . . A 38 LYS HD3 . 19667 1 437 . 1 1 38 38 LYS HE2 H 1 2.87 0.03 . 2 . . . A 38 LYS HE2 . 19667 1 438 . 1 1 38 38 LYS HE3 H 1 2.87 0.03 . 2 . . . A 38 LYS HE3 . 19667 1 439 . 1 1 38 38 LYS C C 13 173.82 0.20 . 1 . . . A 38 LYS C . 19667 1 440 . 1 1 38 38 LYS CA C 13 54.83 0.20 . 1 . . . A 38 LYS CA . 19667 1 441 . 1 1 38 38 LYS CB C 13 37.80 0.20 . 1 . . . A 38 LYS CB . 19667 1 442 . 1 1 38 38 LYS CG C 13 25.12 0.20 . 1 . . . A 38 LYS CG . 19667 1 443 . 1 1 38 38 LYS CD C 13 29.16 0.20 . 1 . . . A 38 LYS CD . 19667 1 444 . 1 1 38 38 LYS CE C 13 42.01 0.20 . 1 . . . A 38 LYS CE . 19667 1 445 . 1 1 38 38 LYS N N 15 116.33 0.20 . 1 . . . A 38 LYS N . 19667 1 446 . 1 1 39 39 LEU H H 1 9.34 0.03 . 1 . . . A 39 LEU H . 19667 1 447 . 1 1 39 39 LEU HA H 1 5.04 0.03 . 1 . . . A 39 LEU HA . 19667 1 448 . 1 1 39 39 LEU HB2 H 1 1.29 0.03 . 2 . . . A 39 LEU HB2 . 19667 1 449 . 1 1 39 39 LEU HB3 H 1 1.48 0.03 . 2 . . . A 39 LEU HB3 . 19667 1 450 . 1 1 39 39 LEU HG H 1 1.44 0.03 . 1 . . . A 39 LEU HG . 19667 1 451 . 1 1 39 39 LEU HD11 H 1 0.62 0.03 . 2 . . . A 39 LEU HD11 . 19667 1 452 . 1 1 39 39 LEU HD12 H 1 0.62 0.03 . 2 . . . A 39 LEU HD12 . 19667 1 453 . 1 1 39 39 LEU HD13 H 1 0.62 0.03 . 2 . . . A 39 LEU HD13 . 19667 1 454 . 1 1 39 39 LEU HD21 H 1 0.14 0.03 . 2 . . . A 39 LEU HD21 . 19667 1 455 . 1 1 39 39 LEU HD22 H 1 0.14 0.03 . 2 . . . A 39 LEU HD22 . 19667 1 456 . 1 1 39 39 LEU HD23 H 1 0.14 0.03 . 2 . . . A 39 LEU HD23 . 19667 1 457 . 1 1 39 39 LEU C C 13 175.87 0.20 . 1 . . . A 39 LEU C . 19667 1 458 . 1 1 39 39 LEU CA C 13 53.22 0.20 . 1 . . . A 39 LEU CA . 19667 1 459 . 1 1 39 39 LEU CB C 13 46.58 0.20 . 1 . . . A 39 LEU CB . 19667 1 460 . 1 1 39 39 LEU CG C 13 26.61 0.20 . 1 . . . A 39 LEU CG . 19667 1 461 . 1 1 39 39 LEU CD1 C 13 26.06 0.20 . 2 . . . A 39 LEU CD1 . 19667 1 462 . 1 1 39 39 LEU CD2 C 13 26.35 0.20 . 2 . . . A 39 LEU CD2 . 19667 1 463 . 1 1 39 39 LEU N N 15 120.45 0.20 . 1 . . . A 39 LEU N . 19667 1 464 . 1 1 40 40 LYS H H 1 8.59 0.03 . 1 . . . A 40 LYS H . 19667 1 465 . 1 1 40 40 LYS HA H 1 5.12 0.03 . 1 . . . A 40 LYS HA . 19667 1 466 . 1 1 40 40 LYS HB2 H 1 1.70 0.03 . 2 . . . A 40 LYS HB2 . 19667 1 467 . 1 1 40 40 LYS HB3 H 1 1.70 0.03 . 2 . . . A 40 LYS HB3 . 19667 1 468 . 1 1 40 40 LYS HG2 H 1 1.23 0.03 . 2 . . . A 40 LYS HG2 . 19667 1 469 . 1 1 40 40 LYS HG3 H 1 1.36 0.03 . 2 . . . A 40 LYS HG3 . 19667 1 470 . 1 1 40 40 LYS HD2 H 1 1.61 0.03 . 2 . . . A 40 LYS HD2 . 19667 1 471 . 1 1 40 40 LYS HD3 H 1 1.51 0.03 . 2 . . . A 40 LYS HD3 . 19667 1 472 . 1 1 40 40 LYS HE2 H 1 2.86 0.03 . 2 . . . A 40 LYS HE2 . 19667 1 473 . 1 1 40 40 LYS HE3 H 1 2.86 0.03 . 2 . . . A 40 LYS HE3 . 19667 1 474 . 1 1 40 40 LYS C C 13 176.12 0.20 . 1 . . . A 40 LYS C . 19667 1 475 . 1 1 40 40 LYS CA C 13 55.82 0.20 . 1 . . . A 40 LYS CA . 19667 1 476 . 1 1 40 40 LYS CB C 13 34.38 0.20 . 1 . . . A 40 LYS CB . 19667 1 477 . 1 1 40 40 LYS CG C 13 25.43 0.20 . 1 . . . A 40 LYS CG . 19667 1 478 . 1 1 40 40 LYS CD C 13 29.32 0.20 . 1 . . . A 40 LYS CD . 19667 1 479 . 1 1 40 40 LYS CE C 13 42.01 0.20 . 1 . . . A 40 LYS CE . 19667 1 480 . 1 1 40 40 LYS N N 15 120.66 0.20 . 1 . . . A 40 LYS N . 19667 1 481 . 1 1 41 41 VAL H H 1 9.16 0.03 . 1 . . . A 41 VAL H . 19667 1 482 . 1 1 41 41 VAL HA H 1 5.25 0.03 . 1 . . . A 41 VAL HA . 19667 1 483 . 1 1 41 41 VAL HB H 1 1.78 0.03 . 1 . . . A 41 VAL HB . 19667 1 484 . 1 1 41 41 VAL HG11 H 1 0.58 0.03 . 2 . . . A 41 VAL HG11 . 19667 1 485 . 1 1 41 41 VAL HG12 H 1 0.58 0.03 . 2 . . . A 41 VAL HG12 . 19667 1 486 . 1 1 41 41 VAL HG13 H 1 0.58 0.03 . 2 . . . A 41 VAL HG13 . 19667 1 487 . 1 1 41 41 VAL HG21 H 1 0.52 0.03 . 2 . . . A 41 VAL HG21 . 19667 1 488 . 1 1 41 41 VAL HG22 H 1 0.52 0.03 . 2 . . . A 41 VAL HG22 . 19667 1 489 . 1 1 41 41 VAL HG23 H 1 0.52 0.03 . 2 . . . A 41 VAL HG23 . 19667 1 490 . 1 1 41 41 VAL C C 13 173.49 0.20 . 1 . . . A 41 VAL C . 19667 1 491 . 1 1 41 41 VAL CA C 13 57.65 0.20 . 1 . . . A 41 VAL CA . 19667 1 492 . 1 1 41 41 VAL CB C 13 34.54 0.20 . 1 . . . A 41 VAL CB . 19667 1 493 . 1 1 41 41 VAL CG1 C 13 21.33 0.20 . 2 . . . A 41 VAL CG1 . 19667 1 494 . 1 1 41 41 VAL CG2 C 13 19.71 0.20 . 2 . . . A 41 VAL CG2 . 19667 1 495 . 1 1 41 41 VAL N N 15 117.68 0.20 . 1 . . . A 41 VAL N . 19667 1 496 . 1 1 42 42 LEU H H 1 8.97 0.03 . 1 . . . A 42 LEU H . 19667 1 497 . 1 1 42 42 LEU HA H 1 4.83 0.03 . 1 . . . A 42 LEU HA . 19667 1 498 . 1 1 42 42 LEU HB2 H 1 1.11 0.03 . 2 . . . A 42 LEU HB2 . 19667 1 499 . 1 1 42 42 LEU HB3 H 1 1.65 0.03 . 2 . . . A 42 LEU HB3 . 19667 1 500 . 1 1 42 42 LEU HG H 1 1.47 0.03 . 1 . . . A 42 LEU HG . 19667 1 501 . 1 1 42 42 LEU HD11 H 1 0.80 0.03 . 2 . . . A 42 LEU HD11 . 19667 1 502 . 1 1 42 42 LEU HD12 H 1 0.80 0.03 . 2 . . . A 42 LEU HD12 . 19667 1 503 . 1 1 42 42 LEU HD13 H 1 0.80 0.03 . 2 . . . A 42 LEU HD13 . 19667 1 504 . 1 1 42 42 LEU HD21 H 1 0.80 0.03 . 2 . . . A 42 LEU HD21 . 19667 1 505 . 1 1 42 42 LEU HD22 H 1 0.80 0.03 . 2 . . . A 42 LEU HD22 . 19667 1 506 . 1 1 42 42 LEU HD23 H 1 0.80 0.03 . 2 . . . A 42 LEU HD23 . 19667 1 507 . 1 1 42 42 LEU C C 13 176.81 0.20 . 1 . . . A 42 LEU C . 19667 1 508 . 1 1 42 42 LEU CA C 13 53.34 0.20 . 1 . . . A 42 LEU CA . 19667 1 509 . 1 1 42 42 LEU CB C 13 43.29 0.20 . 1 . . . A 42 LEU CB . 19667 1 510 . 1 1 42 42 LEU CG C 13 26.55 0.20 . 1 . . . A 42 LEU CG . 19667 1 511 . 1 1 42 42 LEU CD1 C 13 25.09 0.20 . 2 . . . A 42 LEU CD1 . 19667 1 512 . 1 1 42 42 LEU N N 15 120.90 0.20 . 1 . . . A 42 LEU N . 19667 1 513 . 1 1 43 43 VAL H H 1 8.67 0.03 . 1 . . . A 43 VAL H . 19667 1 514 . 1 1 43 43 VAL HA H 1 4.37 0.03 . 1 . . . A 43 VAL HA . 19667 1 515 . 1 1 43 43 VAL HB H 1 1.65 0.03 . 1 . . . A 43 VAL HB . 19667 1 516 . 1 1 43 43 VAL HG11 H 1 0.54 0.03 . 2 . . . A 43 VAL HG11 . 19667 1 517 . 1 1 43 43 VAL HG12 H 1 0.54 0.03 . 2 . . . A 43 VAL HG12 . 19667 1 518 . 1 1 43 43 VAL HG13 H 1 0.54 0.03 . 2 . . . A 43 VAL HG13 . 19667 1 519 . 1 1 43 43 VAL HG21 H 1 0.70 0.03 . 2 . . . A 43 VAL HG21 . 19667 1 520 . 1 1 43 43 VAL HG22 H 1 0.70 0.03 . 2 . . . A 43 VAL HG22 . 19667 1 521 . 1 1 43 43 VAL HG23 H 1 0.70 0.03 . 2 . . . A 43 VAL HG23 . 19667 1 522 . 1 1 43 43 VAL C C 13 174.82 0.20 . 1 . . . A 43 VAL C . 19667 1 523 . 1 1 43 43 VAL CA C 13 60.45 0.20 . 1 . . . A 43 VAL CA . 19667 1 524 . 1 1 43 43 VAL CB C 13 34.00 0.20 . 1 . . . A 43 VAL CB . 19667 1 525 . 1 1 43 43 VAL CG1 C 13 20.88 0.20 . 2 . . . A 43 VAL CG1 . 19667 1 526 . 1 1 43 43 VAL CG2 C 13 21.68 0.20 . 2 . . . A 43 VAL CG2 . 19667 1 527 . 1 1 43 43 VAL N N 15 124.36 0.20 . 1 . . . A 43 VAL N . 19667 1 528 . 1 1 44 44 SER H H 1 8.87 0.03 . 1 . . . A 44 SER H . 19667 1 529 . 1 1 44 44 SER HA H 1 4.77 0.03 . 1 . . . A 44 SER HA . 19667 1 530 . 1 1 44 44 SER HB2 H 1 3.64 0.03 . 2 . . . A 44 SER HB2 . 19667 1 531 . 1 1 44 44 SER HB3 H 1 3.76 0.03 . 2 . . . A 44 SER HB3 . 19667 1 532 . 1 1 44 44 SER C C 13 173.61 0.20 . 1 . . . A 44 SER C . 19667 1 533 . 1 1 44 44 SER CA C 13 57.44 0.20 . 1 . . . A 44 SER CA . 19667 1 534 . 1 1 44 44 SER CB C 13 63.07 0.20 . 1 . . . A 44 SER CB . 19667 1 535 . 1 1 44 44 SER N N 15 121.39 0.20 . 1 . . . A 44 SER N . 19667 1 536 . 1 1 45 45 ILE H H 1 8.32 0.03 . 1 . . . A 45 ILE H . 19667 1 537 . 1 1 45 45 ILE HA H 1 4.22 0.03 . 1 . . . A 45 ILE HA . 19667 1 538 . 1 1 45 45 ILE HB H 1 1.77 0.03 . 1 . . . A 45 ILE HB . 19667 1 539 . 1 1 45 45 ILE HG12 H 1 0.86 0.03 . 2 . . . A 45 ILE HG12 . 19667 1 540 . 1 1 45 45 ILE HG13 H 1 1.26 0.03 . 2 . . . A 45 ILE HG13 . 19667 1 541 . 1 1 45 45 ILE HG21 H 1 0.80 0.03 . 1 . . . A 45 ILE HG21 . 19667 1 542 . 1 1 45 45 ILE HG22 H 1 0.80 0.03 . 1 . . . A 45 ILE HG22 . 19667 1 543 . 1 1 45 45 ILE HG23 H 1 0.80 0.03 . 1 . . . A 45 ILE HG23 . 19667 1 544 . 1 1 45 45 ILE HD11 H 1 0.74 0.03 . 1 . . . A 45 ILE HD11 . 19667 1 545 . 1 1 45 45 ILE HD12 H 1 0.74 0.03 . 1 . . . A 45 ILE HD12 . 19667 1 546 . 1 1 45 45 ILE HD13 H 1 0.74 0.03 . 1 . . . A 45 ILE HD13 . 19667 1 547 . 1 1 45 45 ILE CA C 13 59.97 0.20 . 1 . . . A 45 ILE CA . 19667 1 548 . 1 1 45 45 ILE CB C 13 39.06 0.20 . 1 . . . A 45 ILE CB . 19667 1 549 . 1 1 45 45 ILE CG1 C 13 26.95 0.20 . 1 . . . A 45 ILE CG1 . 19667 1 550 . 1 1 45 45 ILE CG2 C 13 17.15 0.20 . 1 . . . A 45 ILE CG2 . 19667 1 551 . 1 1 45 45 ILE CD1 C 13 13.23 0.20 . 1 . . . A 45 ILE CD1 . 19667 1 552 . 1 1 45 45 ILE N N 15 126.73 0.20 . 1 . . . A 45 ILE N . 19667 1 553 . 1 1 46 46 PHE H H 1 9.05 0.03 . 1 . . . A 46 PHE H . 19667 1 554 . 1 1 46 46 PHE HA H 1 4.35 0.03 . 1 . . . A 46 PHE HA . 19667 1 555 . 1 1 46 46 PHE HB2 H 1 3.44 0.03 . 2 . . . A 46 PHE HB2 . 19667 1 556 . 1 1 46 46 PHE HB3 H 1 3.11 0.03 . 2 . . . A 46 PHE HB3 . 19667 1 557 . 1 1 46 46 PHE HD1 H 1 7.30 0.03 . 1 . . . A 46 PHE HD1 . 19667 1 558 . 1 1 46 46 PHE HD2 H 1 7.30 0.03 . 1 . . . A 46 PHE HD2 . 19667 1 559 . 1 1 46 46 PHE HE1 H 1 7.42 0.03 . 1 . . . A 46 PHE HE1 . 19667 1 560 . 1 1 46 46 PHE HE2 H 1 7.42 0.03 . 1 . . . A 46 PHE HE2 . 19667 1 561 . 1 1 46 46 PHE HZ H 1 7.36 0.03 . 1 . . . A 46 PHE HZ . 19667 1 562 . 1 1 46 46 PHE C C 13 176.02 0.20 . 1 . . . A 46 PHE C . 19667 1 563 . 1 1 46 46 PHE CA C 13 58.51 0.20 . 1 . . . A 46 PHE CA . 19667 1 564 . 1 1 46 46 PHE CB C 13 37.07 0.20 . 1 . . . A 46 PHE CB . 19667 1 565 . 1 1 46 46 PHE CD1 C 13 131.70 . . 1 . . . A 46 PHE CD1 . 19667 1 566 . 1 1 46 46 PHE CD2 C 13 131.70 . . 1 . . . A 46 PHE CD2 . 19667 1 567 . 1 1 46 46 PHE CE1 C 13 131.50 . . 1 . . . A 46 PHE CE1 . 19667 1 568 . 1 1 46 46 PHE CE2 C 13 131.50 . . 1 . . . A 46 PHE CE2 . 19667 1 569 . 1 1 46 46 PHE CZ C 13 129.70 . . 1 . . . A 46 PHE CZ . 19667 1 570 . 1 1 46 46 PHE N N 15 125.74 0.20 . 1 . . . A 46 PHE N . 19667 1 571 . 1 1 47 47 GLY H H 1 8.34 0.03 . 1 . . . A 47 GLY H . 19667 1 572 . 1 1 47 47 GLY HA2 H 1 3.57 0.03 . 2 . . . A 47 GLY HA2 . 19667 1 573 . 1 1 47 47 GLY HA3 H 1 4.18 0.03 . 2 . . . A 47 GLY HA3 . 19667 1 574 . 1 1 47 47 GLY C C 13 173.56 0.20 . 1 . . . A 47 GLY C . 19667 1 575 . 1 1 47 47 GLY CA C 13 45.55 0.20 . 1 . . . A 47 GLY CA . 19667 1 576 . 1 1 47 47 GLY N N 15 104.30 0.20 . 1 . . . A 47 GLY N . 19667 1 577 . 1 1 48 48 ARG H H 1 7.87 0.03 . 1 . . . A 48 ARG H . 19667 1 578 . 1 1 48 48 ARG HA H 1 4.65 0.03 . 1 . . . A 48 ARG HA . 19667 1 579 . 1 1 48 48 ARG HB2 H 1 1.83 0.03 . 2 . . . A 48 ARG HB2 . 19667 1 580 . 1 1 48 48 ARG HB3 H 1 1.90 0.03 . 2 . . . A 48 ARG HB3 . 19667 1 581 . 1 1 48 48 ARG HG2 H 1 1.59 0.03 . 2 . . . A 48 ARG HG2 . 19667 1 582 . 1 1 48 48 ARG HG3 H 1 1.65 0.03 . 2 . . . A 48 ARG HG3 . 19667 1 583 . 1 1 48 48 ARG HD2 H 1 3.25 0.03 . 2 . . . A 48 ARG HD2 . 19667 1 584 . 1 1 48 48 ARG HD3 H 1 3.25 0.03 . 2 . . . A 48 ARG HD3 . 19667 1 585 . 1 1 48 48 ARG CA C 13 54.67 0.20 . 1 . . . A 48 ARG CA . 19667 1 586 . 1 1 48 48 ARG CB C 13 31.91 0.20 . 1 . . . A 48 ARG CB . 19667 1 587 . 1 1 48 48 ARG CG C 13 27.06 0.20 . 1 . . . A 48 ARG CG . 19667 1 588 . 1 1 48 48 ARG CD C 13 43.45 0.20 . 1 . . . A 48 ARG CD . 19667 1 589 . 1 1 48 48 ARG N N 15 120.65 0.20 . 1 . . . A 48 ARG N . 19667 1 590 . 1 1 49 49 GLU H H 1 8.79 0.03 . 1 . . . A 49 GLU H . 19667 1 591 . 1 1 49 49 GLU HA H 1 4.66 0.03 . 1 . . . A 49 GLU HA . 19667 1 592 . 1 1 49 49 GLU HB2 H 1 1.92 0.03 . 2 . . . A 49 GLU HB2 . 19667 1 593 . 1 1 49 49 GLU HB3 H 1 2.02 0.03 . 2 . . . A 49 GLU HB3 . 19667 1 594 . 1 1 49 49 GLU HG2 H 1 2.20 0.03 . 2 . . . A 49 GLU HG2 . 19667 1 595 . 1 1 49 49 GLU HG3 H 1 2.01 0.03 . 2 . . . A 49 GLU HG3 . 19667 1 596 . 1 1 49 49 GLU C C 13 176.32 0.20 . 1 . . . A 49 GLU C . 19667 1 597 . 1 1 49 49 GLU CA C 13 56.74 0.20 . 1 . . . A 49 GLU CA . 19667 1 598 . 1 1 49 49 GLU CB C 13 30.29 0.20 . 1 . . . A 49 GLU CB . 19667 1 599 . 1 1 49 49 GLU CG C 13 37.14 0.20 . 1 . . . A 49 GLU CG . 19667 1 600 . 1 1 49 49 GLU N N 15 126.10 0.20 . 1 . . . A 49 GLU N . 19667 1 601 . 1 1 50 50 THR H H 1 9.11 0.03 . 1 . . . A 50 THR H . 19667 1 602 . 1 1 50 50 THR HA H 1 4.81 0.03 . 1 . . . A 50 THR HA . 19667 1 603 . 1 1 50 50 THR HB H 1 3.85 0.03 . 1 . . . A 50 THR HB . 19667 1 604 . 1 1 50 50 THR HG21 H 1 1.11 0.03 . 1 . . . A 50 THR HG21 . 19667 1 605 . 1 1 50 50 THR HG22 H 1 1.11 0.03 . 1 . . . A 50 THR HG22 . 19667 1 606 . 1 1 50 50 THR HG23 H 1 1.11 0.03 . 1 . . . A 50 THR HG23 . 19667 1 607 . 1 1 50 50 THR CA C 13 59.92 0.20 . 1 . . . A 50 THR CA . 19667 1 608 . 1 1 50 50 THR CB C 13 72.35 0.20 . 1 . . . A 50 THR CB . 19667 1 609 . 1 1 50 50 THR N N 15 123.54 0.20 . 1 . . . A 50 THR N . 19667 1 610 . 1 1 51 51 PRO HA H 1 5.33 0.03 . 1 . . . A 51 PRO HA . 19667 1 611 . 1 1 51 51 PRO HB2 H 1 1.85 0.03 . 2 . . . A 51 PRO HB2 . 19667 1 612 . 1 1 51 51 PRO HB3 H 1 2.06 0.03 . 2 . . . A 51 PRO HB3 . 19667 1 613 . 1 1 51 51 PRO HG2 H 1 2.22 0.03 . 2 . . . A 51 PRO HG2 . 19667 1 614 . 1 1 51 51 PRO HG3 H 1 1.99 0.03 . 2 . . . A 51 PRO HG3 . 19667 1 615 . 1 1 51 51 PRO HD2 H 1 3.89 0.03 . 2 . . . A 51 PRO HD2 . 19667 1 616 . 1 1 51 51 PRO HD3 H 1 3.82 0.03 . 2 . . . A 51 PRO HD3 . 19667 1 617 . 1 1 51 51 PRO C C 13 176.80 0.20 . 1 . . . A 51 PRO C . 19667 1 618 . 1 1 51 51 PRO CA C 13 61.73 0.20 . 1 . . . A 51 PRO CA . 19667 1 619 . 1 1 51 51 PRO CB C 13 32.11 0.20 . 1 . . . A 51 PRO CB . 19667 1 620 . 1 1 51 51 PRO CG C 13 27.16 0.20 . 1 . . . A 51 PRO CG . 19667 1 621 . 1 1 51 51 PRO CD C 13 51.40 0.20 . 1 . . . A 51 PRO CD . 19667 1 622 . 1 1 52 52 VAL H H 1 9.11 0.03 . 1 . . . A 52 VAL H . 19667 1 623 . 1 1 52 52 VAL HA H 1 4.27 0.03 . 1 . . . A 52 VAL HA . 19667 1 624 . 1 1 52 52 VAL HB H 1 1.75 0.03 . 1 . . . A 52 VAL HB . 19667 1 625 . 1 1 52 52 VAL HG11 H 1 0.58 0.03 . 2 . . . A 52 VAL HG11 . 19667 1 626 . 1 1 52 52 VAL HG12 H 1 0.58 0.03 . 2 . . . A 52 VAL HG12 . 19667 1 627 . 1 1 52 52 VAL HG13 H 1 0.58 0.03 . 2 . . . A 52 VAL HG13 . 19667 1 628 . 1 1 52 52 VAL HG21 H 1 0.87 0.03 . 2 . . . A 52 VAL HG21 . 19667 1 629 . 1 1 52 52 VAL HG22 H 1 0.87 0.03 . 2 . . . A 52 VAL HG22 . 19667 1 630 . 1 1 52 52 VAL HG23 H 1 0.87 0.03 . 2 . . . A 52 VAL HG23 . 19667 1 631 . 1 1 52 52 VAL C C 13 173.75 0.20 . 1 . . . A 52 VAL C . 19667 1 632 . 1 1 52 52 VAL CA C 13 61.38 0.20 . 1 . . . A 52 VAL CA . 19667 1 633 . 1 1 52 52 VAL CB C 13 35.89 0.20 . 1 . . . A 52 VAL CB . 19667 1 634 . 1 1 52 52 VAL CG1 C 13 21.71 0.20 . 2 . . . A 52 VAL CG1 . 19667 1 635 . 1 1 52 52 VAL CG2 C 13 21.49 0.20 . 2 . . . A 52 VAL CG2 . 19667 1 636 . 1 1 52 52 VAL N N 15 123.01 0.20 . 1 . . . A 52 VAL N . 19667 1 637 . 1 1 53 53 GLU H H 1 8.57 0.03 . 1 . . . A 53 GLU H . 19667 1 638 . 1 1 53 53 GLU HA H 1 5.20 0.03 . 1 . . . A 53 GLU HA . 19667 1 639 . 1 1 53 53 GLU HB2 H 1 1.90 0.03 . 2 . . . A 53 GLU HB2 . 19667 1 640 . 1 1 53 53 GLU HB3 H 1 2.07 0.03 . 2 . . . A 53 GLU HB3 . 19667 1 641 . 1 1 53 53 GLU HG2 H 1 2.24 0.03 . 2 . . . A 53 GLU HG2 . 19667 1 642 . 1 1 53 53 GLU HG3 H 1 2.06 0.03 . 2 . . . A 53 GLU HG3 . 19667 1 643 . 1 1 53 53 GLU C C 13 174.98 0.20 . 1 . . . A 53 GLU C . 19667 1 644 . 1 1 53 53 GLU CA C 13 55.50 0.20 . 1 . . . A 53 GLU CA . 19667 1 645 . 1 1 53 53 GLU CB C 13 31.41 0.20 . 1 . . . A 53 GLU CB . 19667 1 646 . 1 1 53 53 GLU CG C 13 37.52 0.20 . 1 . . . A 53 GLU CG . 19667 1 647 . 1 1 53 53 GLU N N 15 126.73 0.20 . 1 . . . A 53 GLU N . 19667 1 648 . 1 1 54 54 LEU H H 1 8.85 0.03 . 1 . . . A 54 LEU H . 19667 1 649 . 1 1 54 54 LEU HA H 1 5.01 0.03 . 1 . . . A 54 LEU HA . 19667 1 650 . 1 1 54 54 LEU HB2 H 1 1.25 0.03 . 2 . . . A 54 LEU HB2 . 19667 1 651 . 1 1 54 54 LEU HB3 H 1 1.77 0.03 . 2 . . . A 54 LEU HB3 . 19667 1 652 . 1 1 54 54 LEU HG H 1 1.41 0.03 . 1 . . . A 54 LEU HG . 19667 1 653 . 1 1 54 54 LEU HD11 H 1 0.68 0.03 . 2 . . . A 54 LEU HD11 . 19667 1 654 . 1 1 54 54 LEU HD12 H 1 0.68 0.03 . 2 . . . A 54 LEU HD12 . 19667 1 655 . 1 1 54 54 LEU HD13 H 1 0.68 0.03 . 2 . . . A 54 LEU HD13 . 19667 1 656 . 1 1 54 54 LEU HD21 H 1 0.94 0.03 . 2 . . . A 54 LEU HD21 . 19667 1 657 . 1 1 54 54 LEU HD22 H 1 0.94 0.03 . 2 . . . A 54 LEU HD22 . 19667 1 658 . 1 1 54 54 LEU HD23 H 1 0.94 0.03 . 2 . . . A 54 LEU HD23 . 19667 1 659 . 1 1 54 54 LEU C C 13 175.94 0.20 . 1 . . . A 54 LEU C . 19667 1 660 . 1 1 54 54 LEU CA C 13 53.40 0.20 . 1 . . . A 54 LEU CA . 19667 1 661 . 1 1 54 54 LEU CB C 13 47.36 0.20 . 1 . . . A 54 LEU CB . 19667 1 662 . 1 1 54 54 LEU CG C 13 26.94 0.20 . 1 . . . A 54 LEU CG . 19667 1 663 . 1 1 54 54 LEU CD1 C 13 29.26 0.20 . 2 . . . A 54 LEU CD1 . 19667 1 664 . 1 1 54 54 LEU CD2 C 13 23.34 0.20 . 2 . . . A 54 LEU CD2 . 19667 1 665 . 1 1 54 54 LEU N N 15 126.20 0.20 . 1 . . . A 54 LEU N . 19667 1 666 . 1 1 55 55 THR H H 1 9.14 0.03 . 1 . . . A 55 THR H . 19667 1 667 . 1 1 55 55 THR HA H 1 5.21 0.03 . 1 . . . A 55 THR HA . 19667 1 668 . 1 1 55 55 THR HB H 1 4.84 0.03 . 1 . . . A 55 THR HB . 19667 1 669 . 1 1 55 55 THR HG21 H 1 1.30 0.03 . 1 . . . A 55 THR HG21 . 19667 1 670 . 1 1 55 55 THR HG22 H 1 1.30 0.03 . 1 . . . A 55 THR HG22 . 19667 1 671 . 1 1 55 55 THR HG23 H 1 1.30 0.03 . 1 . . . A 55 THR HG23 . 19667 1 672 . 1 1 55 55 THR C C 13 176.45 0.20 . 1 . . . A 55 THR C . 19667 1 673 . 1 1 55 55 THR CA C 13 60.76 0.20 . 1 . . . A 55 THR CA . 19667 1 674 . 1 1 55 55 THR CB C 13 70.93 0.20 . 1 . . . A 55 THR CB . 19667 1 675 . 1 1 55 55 THR N N 15 111.05 0.20 . 1 . . . A 55 THR N . 19667 1 676 . 1 1 56 56 PHE H H 1 8.10 0.03 . 1 . . . A 56 PHE H . 19667 1 677 . 1 1 56 56 PHE HA H 1 4.15 0.03 . 1 . . . A 56 PHE HA . 19667 1 678 . 1 1 56 56 PHE HB2 H 1 3.33 0.03 . 2 . . . A 56 PHE HB2 . 19667 1 679 . 1 1 56 56 PHE HB3 H 1 3.44 0.03 . 2 . . . A 56 PHE HB3 . 19667 1 680 . 1 1 56 56 PHE HD1 H 1 7.06 0.03 . 1 . . . A 56 PHE HD1 . 19667 1 681 . 1 1 56 56 PHE HD2 H 1 7.06 0.03 . 1 . . . A 56 PHE HD2 . 19667 1 682 . 1 1 56 56 PHE HE1 H 1 7.40 0.03 . 1 . . . A 56 PHE HE1 . 19667 1 683 . 1 1 56 56 PHE HE2 H 1 7.40 0.03 . 1 . . . A 56 PHE HE2 . 19667 1 684 . 1 1 56 56 PHE HZ H 1 7.21 0.03 . 1 . . . A 56 PHE HZ . 19667 1 685 . 1 1 56 56 PHE CA C 13 58.57 0.20 . 1 . . . A 56 PHE CA . 19667 1 686 . 1 1 56 56 PHE CB C 13 37.83 0.20 . 1 . . . A 56 PHE CB . 19667 1 687 . 1 1 56 56 PHE CD1 C 13 129.73 . . 1 . . . A 56 PHE CD1 . 19667 1 688 . 1 1 56 56 PHE CD2 C 13 129.73 . . 1 . . . A 56 PHE CD2 . 19667 1 689 . 1 1 56 56 PHE CE1 C 13 131.90 . . 1 . . . A 56 PHE CE1 . 19667 1 690 . 1 1 56 56 PHE CE2 C 13 131.90 . . 1 . . . A 56 PHE CE2 . 19667 1 691 . 1 1 56 56 PHE CZ C 13 128.70 . . 1 . . . A 56 PHE CZ . 19667 1 692 . 1 1 56 56 PHE N N 15 119.12 0.20 . 1 . . . A 56 PHE N . 19667 1 693 . 1 1 57 57 GLY H H 1 8.36 0.03 . 1 . . . A 57 GLY H . 19667 1 694 . 1 1 57 57 GLY HA2 H 1 3.90 0.03 . 2 . . . A 57 GLY HA2 . 19667 1 695 . 1 1 57 57 GLY HA3 H 1 4.30 0.03 . 2 . . . A 57 GLY HA3 . 19667 1 696 . 1 1 57 57 GLY C C 13 174.88 0.20 . 1 . . . A 57 GLY C . 19667 1 697 . 1 1 57 57 GLY CA C 13 45.80 0.20 . 1 . . . A 57 GLY CA . 19667 1 698 . 1 1 57 57 GLY N N 15 103.40 0.20 . 1 . . . A 57 GLY N . 19667 1 699 . 1 1 58 58 GLN H H 1 7.79 0.03 . 1 . . . A 58 GLN H . 19667 1 700 . 1 1 58 58 GLN HA H 1 4.39 0.03 . 1 . . . A 58 GLN HA . 19667 1 701 . 1 1 58 58 GLN HB2 H 1 2.48 0.03 . 2 . . . A 58 GLN HB2 . 19667 1 702 . 1 1 58 58 GLN HB3 H 1 2.38 0.03 . 2 . . . A 58 GLN HB3 . 19667 1 703 . 1 1 58 58 GLN HG2 H 1 2.38 0.03 . 2 . . . A 58 GLN HG2 . 19667 1 704 . 1 1 58 58 GLN HG3 H 1 2.56 0.03 . 2 . . . A 58 GLN HG3 . 19667 1 705 . 1 1 58 58 GLN HE21 H 1 8.39 0.03 . 1 . . . A 58 GLN HE21 . 19667 1 706 . 1 1 58 58 GLN HE22 H 1 6.77 0.03 . 1 . . . A 58 GLN HE22 . 19667 1 707 . 1 1 58 58 GLN C C 13 174.12 0.20 . 1 . . . A 58 GLN C . 19667 1 708 . 1 1 58 58 GLN CA C 13 56.37 0.20 . 1 . . . A 58 GLN CA . 19667 1 709 . 1 1 58 58 GLN CB C 13 32.04 0.20 . 1 . . . A 58 GLN CB . 19667 1 710 . 1 1 58 58 GLN CG C 13 35.29 0.20 . 1 . . . A 58 GLN CG . 19667 1 711 . 1 1 58 58 GLN N N 15 117.08 0.20 . 1 . . . A 58 GLN N . 19667 1 712 . 1 1 58 58 GLN NE2 N 15 112.71 0.20 . 1 . . . A 58 GLN NE2 . 19667 1 713 . 1 1 59 59 VAL H H 1 7.35 0.03 . 1 . . . A 59 VAL H . 19667 1 714 . 1 1 59 59 VAL HA H 1 5.25 0.03 . 1 . . . A 59 VAL HA . 19667 1 715 . 1 1 59 59 VAL HB H 1 1.77 0.03 . 1 . . . A 59 VAL HB . 19667 1 716 . 1 1 59 59 VAL HG11 H 1 0.65 0.03 . 2 . . . A 59 VAL HG11 . 19667 1 717 . 1 1 59 59 VAL HG12 H 1 0.65 0.03 . 2 . . . A 59 VAL HG12 . 19667 1 718 . 1 1 59 59 VAL HG13 H 1 0.65 0.03 . 2 . . . A 59 VAL HG13 . 19667 1 719 . 1 1 59 59 VAL HG21 H 1 0.47 0.03 . 2 . . . A 59 VAL HG21 . 19667 1 720 . 1 1 59 59 VAL HG22 H 1 0.47 0.03 . 2 . . . A 59 VAL HG22 . 19667 1 721 . 1 1 59 59 VAL HG23 H 1 0.47 0.03 . 2 . . . A 59 VAL HG23 . 19667 1 722 . 1 1 59 59 VAL C C 13 173.60 0.20 . 1 . . . A 59 VAL C . 19667 1 723 . 1 1 59 59 VAL CA C 13 58.82 0.20 . 1 . . . A 59 VAL CA . 19667 1 724 . 1 1 59 59 VAL CB C 13 35.99 0.20 . 1 . . . A 59 VAL CB . 19667 1 725 . 1 1 59 59 VAL CG1 C 13 23.07 0.20 . 2 . . . A 59 VAL CG1 . 19667 1 726 . 1 1 59 59 VAL CG2 C 13 18.13 0.20 . 2 . . . A 59 VAL CG2 . 19667 1 727 . 1 1 59 59 VAL N N 15 110.28 0.20 . 1 . . . A 59 VAL N . 19667 1 728 . 1 1 60 60 SER H H 1 8.51 0.03 . 1 . . . A 60 SER H . 19667 1 729 . 1 1 60 60 SER HA H 1 4.91 0.03 . 1 . . . A 60 SER HA . 19667 1 730 . 1 1 60 60 SER HB2 H 1 3.81 0.03 . 2 . . . A 60 SER HB2 . 19667 1 731 . 1 1 60 60 SER HB3 H 1 3.81 0.03 . 2 . . . A 60 SER HB3 . 19667 1 732 . 1 1 60 60 SER C C 13 173.83 0.20 . 1 . . . A 60 SER C . 19667 1 733 . 1 1 60 60 SER CA C 13 56.86 0.20 . 1 . . . A 60 SER CA . 19667 1 734 . 1 1 60 60 SER CB C 13 66.28 0.20 . 1 . . . A 60 SER CB . 19667 1 735 . 1 1 60 60 SER N N 15 112.63 0.20 . 1 . . . A 60 SER N . 19667 1 736 . 1 1 61 61 LYS H H 1 8.72 0.03 . 1 . . . A 61 LYS H . 19667 1 737 . 1 1 61 61 LYS HA H 1 4.61 0.03 . 1 . . . A 61 LYS HA . 19667 1 738 . 1 1 61 61 LYS HB2 H 1 1.78 0.03 . 2 . . . A 61 LYS HB2 . 19667 1 739 . 1 1 61 61 LYS HB3 H 1 1.97 0.03 . 2 . . . A 61 LYS HB3 . 19667 1 740 . 1 1 61 61 LYS HG2 H 1 1.62 0.03 . 2 . . . A 61 LYS HG2 . 19667 1 741 . 1 1 61 61 LYS HG3 H 1 1.58 0.03 . 2 . . . A 61 LYS HG3 . 19667 1 742 . 1 1 61 61 LYS HD2 H 1 1.64 0.03 . 2 . . . A 61 LYS HD2 . 19667 1 743 . 1 1 61 61 LYS HD3 H 1 1.57 0.03 . 2 . . . A 61 LYS HD3 . 19667 1 744 . 1 1 61 61 LYS HE2 H 1 2.74 0.03 . 2 . . . A 61 LYS HE2 . 19667 1 745 . 1 1 61 61 LYS HE3 H 1 2.53 0.03 . 2 . . . A 61 LYS HE3 . 19667 1 746 . 1 1 61 61 LYS C C 13 176.29 0.20 . 1 . . . A 61 LYS C . 19667 1 747 . 1 1 61 61 LYS CA C 13 57.47 0.20 . 1 . . . A 61 LYS CA . 19667 1 748 . 1 1 61 61 LYS CB C 13 33.56 0.20 . 1 . . . A 61 LYS CB . 19667 1 749 . 1 1 61 61 LYS CG C 13 26.30 0.20 . 1 . . . A 61 LYS CG . 19667 1 750 . 1 1 61 61 LYS CD C 13 29.39 0.20 . 1 . . . A 61 LYS CD . 19667 1 751 . 1 1 61 61 LYS CE C 13 42.05 0.20 . 1 . . . A 61 LYS CE . 19667 1 752 . 1 1 61 61 LYS N N 15 124.64 0.20 . 1 . . . A 61 LYS N . 19667 1 753 . 1 1 62 62 ILE H H 1 7.85 0.03 . 1 . . . A 62 ILE H . 19667 1 754 . 1 1 62 62 ILE HA H 1 4.06 0.03 . 1 . . . A 62 ILE HA . 19667 1 755 . 1 1 62 62 ILE HB H 1 1.75 0.03 . 1 . . . A 62 ILE HB . 19667 1 756 . 1 1 62 62 ILE HG12 H 1 1.06 0.03 . 2 . . . A 62 ILE HG12 . 19667 1 757 . 1 1 62 62 ILE HG13 H 1 1.42 0.03 . 2 . . . A 62 ILE HG13 . 19667 1 758 . 1 1 62 62 ILE HG21 H 1 0.88 0.03 . 1 . . . A 62 ILE HG21 . 19667 1 759 . 1 1 62 62 ILE HG22 H 1 0.88 0.03 . 1 . . . A 62 ILE HG22 . 19667 1 760 . 1 1 62 62 ILE HG23 H 1 0.88 0.03 . 1 . . . A 62 ILE HG23 . 19667 1 761 . 1 1 62 62 ILE HD11 H 1 0.82 0.03 . 1 . . . A 62 ILE HD11 . 19667 1 762 . 1 1 62 62 ILE HD12 H 1 0.82 0.03 . 1 . . . A 62 ILE HD12 . 19667 1 763 . 1 1 62 62 ILE HD13 H 1 0.82 0.03 . 1 . . . A 62 ILE HD13 . 19667 1 764 . 1 1 62 62 ILE CA C 13 63.59 0.20 . 1 . . . A 62 ILE CA . 19667 1 765 . 1 1 62 62 ILE CB C 13 39.29 0.20 . 1 . . . A 62 ILE CB . 19667 1 766 . 1 1 62 62 ILE CG1 C 13 27.79 0.20 . 1 . . . A 62 ILE CG1 . 19667 1 767 . 1 1 62 62 ILE CG2 C 13 18.01 0.20 . 1 . . . A 62 ILE CG2 . 19667 1 768 . 1 1 62 62 ILE CD1 C 13 13.69 0.20 . 1 . . . A 62 ILE CD1 . 19667 1 769 . 1 1 62 62 ILE N N 15 125.90 0.20 . 1 . . . A 62 ILE N . 19667 1 stop_ save_