data_16319 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16319 _Entry.Title ; The solution structure of the circular bacteriocin carnocyclin A (CclA) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-28 _Entry.Accession_date 2009-05-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details 'The N- and C- termini of the peptide are covalently linked' _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 Leah Martin-Visscher . A. . 16319 2 Xiandi Gong . . . 16319 3 Marek Duszyk . . . 16319 4 John Vederas . C. . 16319 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 . 'not applicable' 'not applicable' . 16319 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'antimicrobial peptide' . 16319 'circular bacteriocin' . 16319 helical . 16319 saposin-fold . 16319 'solution NMR' . 16319 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16319 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 16319 '15N chemical shifts' 64 16319 '1H chemical shifts' 441 16319 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 . . 2010-01-21 2009-05-28 update BMRB 'complete entry citation' 16319 1 . . 2009-09-04 2009-05-28 original author 'original release' 16319 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KJF 'BMRB Entry Tracking System' 16319 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16319 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19692336 _Citation.Full_citation . _Citation.Title 'The three-dimensional structure of carnocyclin A reveals that many circular bacteriocins share a common structural motif.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 284 _Citation.Journal_issue 42 _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 28674 _Citation.Page_last 28681 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Leah Martin-Visscher . A. . 16319 1 2 Xiandi Gong . . . 16319 1 3 Marek Duszyk . . . 16319 1 4 John Vederas . C. . 16319 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'antimicrobial peptide' 16319 1 'circular bacteriocin' 16319 1 helical 16319 1 saposin-fold 16319 1 'solution NMR' 16319 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16319 _Assembly.ID 1 _Assembly.Name Carnocyclin_A _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 Carnocyclin_A 1 $Carnocyclin_A A . yes native no no . . . 16319 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 peptide single . 1 . 1 LEU 1 1 N . 1 . 1 LEU 60 60 C . . . . . . . . . . 16319 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Carnocyclin_A _Entity.Sf_category entity _Entity.Sf_framecode Carnocyclin_A _Entity.Entry_ID 16319 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Carnocyclin_A _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 ; LVAYGIAQGTAEKVVSLINA GLTVGSIISILGGVTVGLSG VFTAVKAAIAKQGIKKAIQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Covalent bond between N- and C- termini' _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 60 _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 5864 _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 2KJF . "The Solution Structure Of The Circular Bacteriocin Carnocyclin A (Ccla)" . . . . . 100.00 60 100.00 100.00 2.05e-28 . . . . 16319 1 2 no GB ACC93994 . "carnocyclin A precursor [Carnobacterium maltaromaticum]" . . . . . 100.00 64 100.00 100.00 1.56e-28 . . . . 16319 1 3 no SP B2MVM5 . "RecName: Full=Carnocyclin-A; Flags: Precursor [Carnobacterium maltaromaticum]" . . . . . 100.00 64 100.00 100.00 1.56e-28 . . . . 16319 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'antimicrobial pepitde' 16319 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 . LEU . 16319 1 2 . VAL . 16319 1 3 . ALA . 16319 1 4 . TYR . 16319 1 5 . GLY . 16319 1 6 . ILE . 16319 1 7 . ALA . 16319 1 8 . GLN . 16319 1 9 . GLY . 16319 1 10 . THR . 16319 1 11 . ALA . 16319 1 12 . GLU . 16319 1 13 . LYS . 16319 1 14 . VAL . 16319 1 15 . VAL . 16319 1 16 . SER . 16319 1 17 . LEU . 16319 1 18 . ILE . 16319 1 19 . ASN . 16319 1 20 . ALA . 16319 1 21 . GLY . 16319 1 22 . LEU . 16319 1 23 . THR . 16319 1 24 . VAL . 16319 1 25 . GLY . 16319 1 26 . SER . 16319 1 27 . ILE . 16319 1 28 . ILE . 16319 1 29 . SER . 16319 1 30 . ILE . 16319 1 31 . LEU . 16319 1 32 . GLY . 16319 1 33 . GLY . 16319 1 34 . VAL . 16319 1 35 . THR . 16319 1 36 . VAL . 16319 1 37 . GLY . 16319 1 38 . LEU . 16319 1 39 . SER . 16319 1 40 . GLY . 16319 1 41 . VAL . 16319 1 42 . PHE . 16319 1 43 . THR . 16319 1 44 . ALA . 16319 1 45 . VAL . 16319 1 46 . LYS . 16319 1 47 . ALA . 16319 1 48 . ALA . 16319 1 49 . ILE . 16319 1 50 . ALA . 16319 1 51 . LYS . 16319 1 52 . GLN . 16319 1 53 . GLY . 16319 1 54 . ILE . 16319 1 55 . LYS . 16319 1 56 . LYS . 16319 1 57 . ALA . 16319 1 58 . ILE . 16319 1 59 . GLN . 16319 1 60 . LEU . 16319 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 . LEU 1 1 16319 1 . VAL 2 2 16319 1 . ALA 3 3 16319 1 . TYR 4 4 16319 1 . GLY 5 5 16319 1 . ILE 6 6 16319 1 . ALA 7 7 16319 1 . GLN 8 8 16319 1 . GLY 9 9 16319 1 . THR 10 10 16319 1 . ALA 11 11 16319 1 . GLU 12 12 16319 1 . LYS 13 13 16319 1 . VAL 14 14 16319 1 . VAL 15 15 16319 1 . SER 16 16 16319 1 . LEU 17 17 16319 1 . ILE 18 18 16319 1 . ASN 19 19 16319 1 . ALA 20 20 16319 1 . GLY 21 21 16319 1 . LEU 22 22 16319 1 . THR 23 23 16319 1 . VAL 24 24 16319 1 . GLY 25 25 16319 1 . SER 26 26 16319 1 . ILE 27 27 16319 1 . ILE 28 28 16319 1 . SER 29 29 16319 1 . ILE 30 30 16319 1 . LEU 31 31 16319 1 . GLY 32 32 16319 1 . GLY 33 33 16319 1 . VAL 34 34 16319 1 . THR 35 35 16319 1 . VAL 36 36 16319 1 . GLY 37 37 16319 1 . LEU 38 38 16319 1 . SER 39 39 16319 1 . GLY 40 40 16319 1 . VAL 41 41 16319 1 . PHE 42 42 16319 1 . THR 43 43 16319 1 . ALA 44 44 16319 1 . VAL 45 45 16319 1 . LYS 46 46 16319 1 . ALA 47 47 16319 1 . ALA 48 48 16319 1 . ILE 49 49 16319 1 . ALA 50 50 16319 1 . LYS 51 51 16319 1 . GLN 52 52 16319 1 . GLY 53 53 16319 1 . ILE 54 54 16319 1 . LYS 55 55 16319 1 . LYS 56 56 16319 1 . ALA 57 57 16319 1 . ILE 58 58 16319 1 . GLN 59 59 16319 1 . LEU 60 60 16319 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 16319 _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 $Carnocyclin_A . 2751 organism . 'Carnobacterium maltaromaticum (Carnobacterium piscicola)' 'Carnobacterium maltaromaticum' . . Bacteria . Carnobacterium maltaromaticum UAL307 . . . . . . . . . . . . . . . cclA . 'residues 5-64 of cclA' . . 16319 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 16319 _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 $Carnocyclin_A . 'purified from the natural source' 'Carnobacterium maltaromaticum (Carnobacterium piscicola)' . . . . . UAL307 . . . . . . . . . . . . . . . . . . . . . . 16319 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 16319 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Carnocyclin A' '[U-99% 13C; U-99% 15N]' . . 1 $Carnocyclin_A . . 1 . . mM . . . . 16319 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16319 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16319 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16319 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16319 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16319 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16319 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 16319 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Carnocyclin A' '[U-99% 13C; U-99% 15N]' . . 1 $Carnocyclin_A . . 1 . . mM . . . . 16319 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16319 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16319 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16319 2 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16319 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16319 2 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 16319 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.9 . pH 16319 1 pressure 1 . atm 16319 1 temperature 300 . K 16319 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16319 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16319 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16319 1 'structure solution' 16319 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16319 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16319 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16319 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 16319 _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 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 2 '3D HNCO' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 3 '3D HNCACB' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 7 '3D HNHA' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 9 '2D 1H-1H COSY' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16319 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 16319 _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 . . . . . . . . . 16319 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16319 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16319 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 16319 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16319 1 2 '3D HNCO' . . . 16319 1 4 '3D CBCA(CO)NH' . . . 16319 1 10 '2D 1H-1H NOESY' . . . 16319 1 11 '2D 1H-13C HSQC' . . . 16319 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 1 1 LEU HA H 1 4.0430 0.01 . 1 . . . . 1 LEU HA . 16319 1 2 . 1 1 1 1 LEU HB2 H 1 2.1510 0.01 . 2 . . . . 1 LEU HB1 . 16319 1 3 . 1 1 1 1 LEU HB3 H 1 1.3060 0.01 . 2 . . . . 1 LEU HB2 . 16319 1 4 . 1 1 1 1 LEU HD11 H 1 0.9110 0.01 . 2 . . . . 1 LEU HD11 . 16319 1 5 . 1 1 1 1 LEU HD12 H 1 0.9110 0.01 . 2 . . . . 1 LEU HD11 . 16319 1 6 . 1 1 1 1 LEU HD13 H 1 0.9110 0.01 . 2 . . . . 1 LEU HD11 . 16319 1 7 . 1 1 1 1 LEU HD21 H 1 0.7960 0.01 . 2 . . . . 1 LEU HD21 . 16319 1 8 . 1 1 1 1 LEU HD22 H 1 0.7960 0.01 . 2 . . . . 1 LEU HD21 . 16319 1 9 . 1 1 1 1 LEU HD23 H 1 0.7960 0.01 . 2 . . . . 1 LEU HD21 . 16319 1 10 . 1 1 1 1 LEU HG H 1 1.8010 0.01 . 1 . . . . 1 LEU HG . 16319 1 11 . 1 1 1 1 LEU C C 13 179.0440 0.05 . 1 . . . . 1 LEU C . 16319 1 12 . 1 1 1 1 LEU CA C 13 58.1160 0.05 . 1 . . . . 1 LEU CA . 16319 1 13 . 1 1 1 1 LEU CB C 13 42.1830 0.05 . 1 . . . . 1 LEU CB . 16319 1 14 . 1 1 1 1 LEU CD1 C 13 27.5460 0.05 . 2 . . . . 1 LEU CD1 . 16319 1 15 . 1 1 1 1 LEU CD2 C 13 24.9650 0.05 . 2 . . . . 1 LEU CD2 . 16319 1 16 . 1 1 1 1 LEU CG C 13 26.8560 0.05 . 1 . . . . 1 LEU CG . 16319 1 17 . 1 1 1 1 LEU N N 15 118.5660 0.05 . 1 . . . . 1 LEU N . 16319 1 18 . 1 1 2 2 VAL H H 1 8.4750 0.01 . 1 . . . . 2 VAL HN . 16319 1 19 . 1 1 2 2 VAL HA H 1 4.5280 0.01 . 1 . . . . 2 VAL HA . 16319 1 20 . 1 1 2 2 VAL HB H 1 2.1090 0.01 . 1 . . . . 2 VAL HB . 16319 1 21 . 1 1 2 2 VAL HG11 H 1 1.0260 0.01 . 2 . . . . 2 VAL HG11 . 16319 1 22 . 1 1 2 2 VAL HG12 H 1 1.0260 0.01 . 2 . . . . 2 VAL HG11 . 16319 1 23 . 1 1 2 2 VAL HG13 H 1 1.0260 0.01 . 2 . . . . 2 VAL HG11 . 16319 1 24 . 1 1 2 2 VAL HG21 H 1 0.9930 0.01 . 2 . . . . 2 VAL HG21 . 16319 1 25 . 1 1 2 2 VAL HG22 H 1 0.9930 0.01 . 2 . . . . 2 VAL HG21 . 16319 1 26 . 1 1 2 2 VAL HG23 H 1 0.9930 0.01 . 2 . . . . 2 VAL HG21 . 16319 1 27 . 1 1 2 2 VAL C C 13 181.4620 0.05 . 1 . . . . 2 VAL C . 16319 1 28 . 1 1 2 2 VAL CA C 13 65.1620 0.05 . 1 . . . . 2 VAL CA . 16319 1 29 . 1 1 2 2 VAL CB C 13 31.8950 0.05 . 1 . . . . 2 VAL CB . 16319 1 30 . 1 1 2 2 VAL CG1 C 13 22.3760 0.05 . 2 . . . . 2 VAL CG1 . 16319 1 31 . 1 1 2 2 VAL CG2 C 13 21.1100 0.05 . 2 . . . . 2 VAL CG2 . 16319 1 32 . 1 1 2 2 VAL N N 15 121.8490 0.05 . 1 . . . . 2 VAL N . 16319 1 33 . 1 1 3 3 ALA H H 1 8.2560 0.01 . 1 . . . . 3 ALA HN . 16319 1 34 . 1 1 3 3 ALA HA H 1 4.1730 0.01 . 1 . . . . 3 ALA HA . 16319 1 35 . 1 1 3 3 ALA HB1 H 1 1.5110 0.01 . 1 . . . . 3 ALA HB1 . 16319 1 36 . 1 1 3 3 ALA HB2 H 1 1.5110 0.01 . 1 . . . . 3 ALA HB1 . 16319 1 37 . 1 1 3 3 ALA HB3 H 1 1.5110 0.01 . 1 . . . . 3 ALA HB1 . 16319 1 38 . 1 1 3 3 ALA C C 13 179.4020 0.05 . 1 . . . . 3 ALA C . 16319 1 39 . 1 1 3 3 ALA CA C 13 54.7250 0.05 . 1 . . . . 3 ALA CA . 16319 1 40 . 1 1 3 3 ALA CB C 13 17.7840 0.05 . 1 . . . . 3 ALA CB . 16319 1 41 . 1 1 3 3 ALA N N 15 124.6150 0.05 . 1 . . . . 3 ALA N . 16319 1 42 . 1 1 4 4 TYR H H 1 7.7170 0.01 . 1 . . . . 4 TYR HN . 16319 1 43 . 1 1 4 4 TYR HA H 1 4.4650 0.01 . 1 . . . . 4 TYR HA . 16319 1 44 . 1 1 4 4 TYR HB2 H 1 3.3370 0.01 . 2 . . . . 4 TYR HB1 . 16319 1 45 . 1 1 4 4 TYR HB3 H 1 3.1510 0.01 . 2 . . . . 4 TYR HB2 . 16319 1 46 . 1 1 4 4 TYR HD1 H 1 7.1160 0.01 . 3 . . . . 4 TYR HD1 . 16319 1 47 . 1 1 4 4 TYR HE1 H 1 6.7190 0.01 . 3 . . . . 4 TYR HE1 . 16319 1 48 . 1 1 4 4 TYR C C 13 177.7100 0.05 . 1 . . . . 4 TYR C . 16319 1 49 . 1 1 4 4 TYR CA C 13 58.6480 0.05 . 1 . . . . 4 TYR CA . 16319 1 50 . 1 1 4 4 TYR CB C 13 38.8380 0.05 . 1 . . . . 4 TYR CB . 16319 1 51 . 1 1 4 4 TYR CD1 C 13 132.9070 0.05 . 2 . . . . 4 TYR CD1 . 16319 1 52 . 1 1 4 4 TYR CE1 C 13 118.0470 0.05 . 2 . . . . 4 TYR CE1 . 16319 1 53 . 1 1 4 4 TYR N N 15 117.7770 0.05 . 1 . . . . 4 TYR N . 16319 1 54 . 1 1 5 5 GLY H H 1 7.9420 0.01 . 1 . . . . 5 GLY HN . 16319 1 55 . 1 1 5 5 GLY HA2 H 1 4.3730 0.01 . 2 . . . . 5 GLY HA1 . 16319 1 56 . 1 1 5 5 GLY HA3 H 1 3.6990 0.01 . 2 . . . . 5 GLY HA2 . 16319 1 57 . 1 1 5 5 GLY C C 13 174.2730 0.05 . 1 . . . . 5 GLY C . 16319 1 58 . 1 1 5 5 GLY CA C 13 45.0190 0.05 . 1 . . . . 5 GLY CA . 16319 1 59 . 1 1 5 5 GLY N N 15 105.5560 0.05 . 1 . . . . 5 GLY N . 16319 1 60 . 1 1 6 6 ILE H H 1 7.8440 0.01 . 1 . . . . 6 ILE HN . 16319 1 61 . 1 1 6 6 ILE HA H 1 4.1350 0.01 . 1 . . . . 6 ILE HA . 16319 1 62 . 1 1 6 6 ILE HB H 1 1.6720 0.01 . 1 . . . . 6 ILE HB . 16319 1 63 . 1 1 6 6 ILE HD11 H 1 0.8540 0.01 . 1 . . . . 6 ILE HD11 . 16319 1 64 . 1 1 6 6 ILE HD12 H 1 0.8540 0.01 . 1 . . . . 6 ILE HD11 . 16319 1 65 . 1 1 6 6 ILE HD13 H 1 0.8540 0.01 . 1 . . . . 6 ILE HD11 . 16319 1 66 . 1 1 6 6 ILE HG12 H 1 1.4980 0.01 . 2 . . . . 6 ILE HG11 . 16319 1 67 . 1 1 6 6 ILE HG13 H 1 1.3240 0.01 . 2 . . . . 6 ILE HG12 . 16319 1 68 . 1 1 6 6 ILE HG21 H 1 0.9200 0.01 . 1 . . . . 6 ILE HG21 . 16319 1 69 . 1 1 6 6 ILE HG22 H 1 0.9200 0.01 . 1 . . . . 6 ILE HG21 . 16319 1 70 . 1 1 6 6 ILE HG23 H 1 0.9200 0.01 . 1 . . . . 6 ILE HG21 . 16319 1 71 . 1 1 6 6 ILE C C 13 174.4760 0.05 . 1 . . . . 6 ILE C . 16319 1 72 . 1 1 6 6 ILE CA C 13 59.9970 0.05 . 1 . . . . 6 ILE CA . 16319 1 73 . 1 1 6 6 ILE CB C 13 37.4980 0.05 . 1 . . . . 6 ILE CB . 16319 1 74 . 1 1 6 6 ILE CD1 C 13 12.6520 0.05 . 1 . . . . 6 ILE CD1 . 16319 1 75 . 1 1 6 6 ILE CG1 C 13 28.4690 0.05 . 1 . . . . 6 ILE CG1 . 16319 1 76 . 1 1 6 6 ILE CG2 C 13 17.4010 0.05 . 1 . . . . 6 ILE CG2 . 16319 1 77 . 1 1 6 6 ILE N N 15 123.1720 0.05 . 1 . . . . 6 ILE N . 16319 1 78 . 1 1 7 7 ALA H H 1 8.3610 0.01 . 1 . . . . 7 ALA HN . 16319 1 79 . 1 1 7 7 ALA HA H 1 4.2050 0.01 . 1 . . . . 7 ALA HA . 16319 1 80 . 1 1 7 7 ALA HB1 H 1 1.5470 0.01 . 1 . . . . 7 ALA HB1 . 16319 1 81 . 1 1 7 7 ALA HB2 H 1 1.5470 0.01 . 1 . . . . 7 ALA HB1 . 16319 1 82 . 1 1 7 7 ALA HB3 H 1 1.5470 0.01 . 1 . . . . 7 ALA HB1 . 16319 1 83 . 1 1 7 7 ALA C C 13 178.7100 0.05 . 1 . . . . 7 ALA C . 16319 1 84 . 1 1 7 7 ALA CA C 13 52.7360 0.05 . 1 . . . . 7 ALA CA . 16319 1 85 . 1 1 7 7 ALA CB C 13 19.3430 0.05 . 1 . . . . 7 ALA CB . 16319 1 86 . 1 1 7 7 ALA N N 15 128.2010 0.05 . 1 . . . . 7 ALA N . 16319 1 87 . 1 1 8 8 GLN H H 1 8.9290 0.01 . 1 . . . . 8 GLN HN . 16319 1 88 . 1 1 8 8 GLN HA H 1 3.6700 0.01 . 1 . . . . 8 GLN HA . 16319 1 89 . 1 1 8 8 GLN HB2 H 1 2.2600 0.01 . 2 . . . . 8 GLN HB1 . 16319 1 90 . 1 1 8 8 GLN HB3 H 1 1.9390 0.01 . 2 . . . . 8 GLN HB2 . 16319 1 91 . 1 1 8 8 GLN HE21 H 1 7.9390 0.01 . 2 . . . . 8 GLN HE21 . 16319 1 92 . 1 1 8 8 GLN HE22 H 1 6.6880 0.01 . 2 . . . . 8 GLN HE22 . 16319 1 93 . 1 1 8 8 GLN HG2 H 1 2.4070 0.01 . 2 . . . . 8 GLN HG1 . 16319 1 94 . 1 1 8 8 GLN HG3 H 1 2.1630 0.01 . 2 . . . . 8 GLN HG2 . 16319 1 95 . 1 1 8 8 GLN C C 13 177.3620 0.05 . 1 . . . . 8 GLN C . 16319 1 96 . 1 1 8 8 GLN CA C 13 60.3370 0.05 . 1 . . . . 8 GLN CA . 16319 1 97 . 1 1 8 8 GLN CB C 13 28.2900 0.05 . 1 . . . . 8 GLN CB . 16319 1 98 . 1 1 8 8 GLN CD C 13 179.2960 0.05 . 1 . . . . 8 GLN CD . 16319 1 99 . 1 1 8 8 GLN CG C 13 32.8810 0.05 . 1 . . . . 8 GLN CG . 16319 1 100 . 1 1 8 8 GLN N N 15 121.7840 0.05 . 1 . . . . 8 GLN N . 16319 1 101 . 1 1 8 8 GLN NE2 N 15 112.0230 0.05 . 1 . . . . 8 GLN NE2 . 16319 1 102 . 1 1 9 9 GLY H H 1 9.0340 0.01 . 1 . . . . 9 GLY HN . 16319 1 103 . 1 1 9 9 GLY HA2 H 1 3.8910 0.01 . 2 . . . . 9 GLY HA1 . 16319 1 104 . 1 1 9 9 GLY C C 13 177.2730 0.05 . 1 . . . . 9 GLY C . 16319 1 105 . 1 1 9 9 GLY CA C 13 47.1260 0.05 . 1 . . . . 9 GLY CA . 16319 1 106 . 1 1 9 9 GLY N N 15 105.2620 0.05 . 1 . . . . 9 GLY N . 16319 1 107 . 1 1 10 10 THR H H 1 7.2540 0.01 . 1 . . . . 10 THR HN . 16319 1 108 . 1 1 10 10 THR HA H 1 4.0100 0.01 . 1 . . . . 10 THR HA . 16319 1 109 . 1 1 10 10 THR HB H 1 4.1770 0.01 . 1 . . . . 10 THR HB . 16319 1 110 . 1 1 10 10 THR HG21 H 1 1.1540 0.01 . 1 . . . . 10 THR HG21 . 16319 1 111 . 1 1 10 10 THR HG22 H 1 1.1540 0.01 . 1 . . . . 10 THR HG21 . 16319 1 112 . 1 1 10 10 THR HG23 H 1 1.1540 0.01 . 1 . . . . 10 THR HG21 . 16319 1 113 . 1 1 10 10 THR C C 13 175.4760 0.05 . 1 . . . . 10 THR C . 16319 1 114 . 1 1 10 10 THR CA C 13 65.9390 0.05 . 1 . . . . 10 THR CA . 16319 1 115 . 1 1 10 10 THR CB C 13 68.2520 0.05 . 1 . . . . 10 THR CB . 16319 1 116 . 1 1 10 10 THR CG2 C 13 22.7030 0.05 . 1 . . . . 10 THR CG2 . 16319 1 117 . 1 1 10 10 THR N N 15 118.9930 0.05 . 1 . . . . 10 THR N . 16319 1 118 . 1 1 11 11 ALA H H 1 9.1520 0.01 . 1 . . . . 11 ALA HN . 16319 1 119 . 1 1 11 11 ALA HA H 1 3.7590 0.01 . 1 . . . . 11 ALA HA . 16319 1 120 . 1 1 11 11 ALA HB1 H 1 1.4910 0.01 . 1 . . . . 11 ALA HB1 . 16319 1 121 . 1 1 11 11 ALA HB2 H 1 1.4910 0.01 . 1 . . . . 11 ALA HB1 . 16319 1 122 . 1 1 11 11 ALA HB3 H 1 1.4910 0.01 . 1 . . . . 11 ALA HB1 . 16319 1 123 . 1 1 11 11 ALA C C 13 178.8780 0.05 . 1 . . . . 11 ALA C . 16319 1 124 . 1 1 11 11 ALA CA C 13 55.7560 0.05 . 1 . . . . 11 ALA CA . 16319 1 125 . 1 1 11 11 ALA CB C 13 19.8200 0.05 . 1 . . . . 11 ALA CB . 16319 1 126 . 1 1 11 11 ALA N N 15 126.0260 0.05 . 1 . . . . 11 ALA N . 16319 1 127 . 1 1 12 12 GLU H H 1 8.4420 0.01 . 1 . . . . 12 GLU HN . 16319 1 128 . 1 1 12 12 GLU HA H 1 3.7480 0.01 . 1 . . . . 12 GLU HA . 16319 1 129 . 1 1 12 12 GLU HB2 H 1 2.1820 0.01 . 2 . . . . 12 GLU HB1 . 16319 1 130 . 1 1 12 12 GLU HB3 H 1 2.0580 0.01 . 2 . . . . 12 GLU HB2 . 16319 1 131 . 1 1 12 12 GLU HG2 H 1 2.5850 0.01 . 2 . . . . 12 GLU HG1 . 16319 1 132 . 1 1 12 12 GLU HG3 H 1 2.2880 0.01 . 2 . . . . 12 GLU HG2 . 16319 1 133 . 1 1 12 12 GLU C C 13 179.3090 0.05 . 1 . . . . 12 GLU C . 16319 1 134 . 1 1 12 12 GLU CA C 13 59.8990 0.05 . 1 . . . . 12 GLU CA . 16319 1 135 . 1 1 12 12 GLU CB C 13 29.7130 0.05 . 1 . . . . 12 GLU CB . 16319 1 136 . 1 1 12 12 GLU CG C 13 36.9390 0.05 . 1 . . . . 12 GLU CG . 16319 1 137 . 1 1 12 12 GLU N N 15 115.8310 0.05 . 1 . . . . 12 GLU N . 16319 1 138 . 1 1 13 13 LYS H H 1 7.2530 0.01 . 1 . . . . 13 LYS HN . 16319 1 139 . 1 1 13 13 LYS HA H 1 4.1470 0.01 . 1 . . . . 13 LYS HA . 16319 1 140 . 1 1 13 13 LYS HB2 H 1 2.0850 0.01 . 2 . . . . 13 LYS HB1 . 16319 1 141 . 1 1 13 13 LYS HB3 H 1 1.9620 0.01 . 2 . . . . 13 LYS HB2 . 16319 1 142 . 1 1 13 13 LYS HE2 H 1 2.9770 0.01 . 2 . . . . 13 LYS HE1 . 16319 1 143 . 1 1 13 13 LYS HG2 H 1 1.6880 0.01 . 2 . . . . 13 LYS HG1 . 16319 1 144 . 1 1 13 13 LYS HG3 H 1 1.5030 0.01 . 2 . . . . 13 LYS HG2 . 16319 1 145 . 1 1 13 13 LYS C C 13 178.8420 0.05 . 1 . . . . 13 LYS C . 16319 1 146 . 1 1 13 13 LYS CA C 13 59.1980 0.05 . 1 . . . . 13 LYS CA . 16319 1 147 . 1 1 13 13 LYS CB C 13 32.6780 0.05 . 1 . . . . 13 LYS CB . 16319 1 148 . 1 1 13 13 LYS CE C 13 41.9530 0.05 . 1 . . . . 13 LYS CE . 16319 1 149 . 1 1 13 13 LYS CG C 13 25.4130 0.05 . 1 . . . . 13 LYS CG . 16319 1 150 . 1 1 13 13 LYS N N 15 119.7080 0.05 . 1 . . . . 13 LYS N . 16319 1 151 . 1 1 14 14 VAL H H 1 8.6490 0.01 . 1 . . . . 14 VAL HN . 16319 1 152 . 1 1 14 14 VAL HA H 1 3.3680 0.01 . 1 . . . . 14 VAL HA . 16319 1 153 . 1 1 14 14 VAL HB H 1 2.2500 0.01 . 1 . . . . 14 VAL HB . 16319 1 154 . 1 1 14 14 VAL HG11 H 1 0.9580 0.01 . 2 . . . . 14 VAL HG11 . 16319 1 155 . 1 1 14 14 VAL HG12 H 1 0.9580 0.01 . 2 . . . . 14 VAL HG11 . 16319 1 156 . 1 1 14 14 VAL HG13 H 1 0.9580 0.01 . 2 . . . . 14 VAL HG11 . 16319 1 157 . 1 1 14 14 VAL HG21 H 1 0.8620 0.01 . 2 . . . . 14 VAL HG21 . 16319 1 158 . 1 1 14 14 VAL HG22 H 1 0.8620 0.01 . 2 . . . . 14 VAL HG21 . 16319 1 159 . 1 1 14 14 VAL HG23 H 1 0.8620 0.01 . 2 . . . . 14 VAL HG21 . 16319 1 160 . 1 1 14 14 VAL C C 13 177.8060 0.05 . 1 . . . . 14 VAL C . 16319 1 161 . 1 1 14 14 VAL CA C 13 67.4480 0.05 . 1 . . . . 14 VAL CA . 16319 1 162 . 1 1 14 14 VAL CB C 13 31.4230 0.05 . 1 . . . . 14 VAL CB . 16319 1 163 . 1 1 14 14 VAL CG1 C 13 24.0450 0.05 . 2 . . . . 14 VAL CG1 . 16319 1 164 . 1 1 14 14 VAL CG2 C 13 22.8010 0.05 . 2 . . . . 14 VAL CG2 . 16319 1 165 . 1 1 14 14 VAL N N 15 119.0120 0.05 . 1 . . . . 14 VAL N . 16319 1 166 . 1 1 15 15 VAL H H 1 8.1720 0.01 . 1 . . . . 15 VAL HN . 16319 1 167 . 1 1 15 15 VAL HA H 1 3.4180 0.01 . 1 . . . . 15 VAL HA . 16319 1 168 . 1 1 15 15 VAL HB H 1 2.0650 0.01 . 1 . . . . 15 VAL HB . 16319 1 169 . 1 1 15 15 VAL HG11 H 1 0.9540 0.01 . 2 . . . . 15 VAL HG11 . 16319 1 170 . 1 1 15 15 VAL HG12 H 1 0.9540 0.01 . 2 . . . . 15 VAL HG11 . 16319 1 171 . 1 1 15 15 VAL HG13 H 1 0.9540 0.01 . 2 . . . . 15 VAL HG11 . 16319 1 172 . 1 1 15 15 VAL HG21 H 1 0.9440 0.01 . 2 . . . . 15 VAL HG21 . 16319 1 173 . 1 1 15 15 VAL HG22 H 1 0.9440 0.01 . 2 . . . . 15 VAL HG21 . 16319 1 174 . 1 1 15 15 VAL HG23 H 1 0.9440 0.01 . 2 . . . . 15 VAL HG21 . 16319 1 175 . 1 1 15 15 VAL C C 13 177.3250 0.05 . 1 . . . . 15 VAL C . 16319 1 176 . 1 1 15 15 VAL CA C 13 67.6320 0.05 . 1 . . . . 15 VAL CA . 16319 1 177 . 1 1 15 15 VAL CB C 13 31.1680 0.05 . 1 . . . . 15 VAL CB . 16319 1 178 . 1 1 15 15 VAL CG1 C 13 21.9630 0.05 . 2 . . . . 15 VAL CG1 . 16319 1 179 . 1 1 15 15 VAL CG2 C 13 24.1900 0.05 . 2 . . . . 15 VAL CG2 . 16319 1 180 . 1 1 15 15 VAL N N 15 117.2260 0.05 . 1 . . . . 15 VAL N . 16319 1 181 . 1 1 16 16 SER H H 1 7.8040 0.01 . 1 . . . . 16 SER HN . 16319 1 182 . 1 1 16 16 SER HA H 1 4.2320 0.01 . 1 . . . . 16 SER HA . 16319 1 183 . 1 1 16 16 SER HB2 H 1 4.0640 0.01 . 2 . . . . 16 SER HB1 . 16319 1 184 . 1 1 16 16 SER HB3 H 1 4.0400 0.01 . 2 . . . . 16 SER HB2 . 16319 1 185 . 1 1 16 16 SER C C 13 177.5630 0.05 . 1 . . . . 16 SER C . 16319 1 186 . 1 1 16 16 SER CA C 13 61.9880 0.05 . 1 . . . . 16 SER CA . 16319 1 187 . 1 1 16 16 SER CB C 13 62.7810 0.05 . 1 . . . . 16 SER CB . 16319 1 188 . 1 1 16 16 SER N N 15 115.3580 0.05 . 1 . . . . 16 SER N . 16319 1 189 . 1 1 17 17 LEU H H 1 8.0890 0.01 . 1 . . . . 17 LEU HN . 16319 1 190 . 1 1 17 17 LEU HA H 1 4.2340 0.01 . 1 . . . . 17 LEU HA . 16319 1 191 . 1 1 17 17 LEU HB2 H 1 2.0230 0.01 . 2 . . . . 17 LEU HB1 . 16319 1 192 . 1 1 17 17 LEU HB3 H 1 1.4340 0.01 . 2 . . . . 17 LEU HB2 . 16319 1 193 . 1 1 17 17 LEU HD11 H 1 0.8940 0.01 . 2 . . . . 17 LEU HD11 . 16319 1 194 . 1 1 17 17 LEU HD12 H 1 0.8940 0.01 . 2 . . . . 17 LEU HD11 . 16319 1 195 . 1 1 17 17 LEU HD13 H 1 0.8940 0.01 . 2 . . . . 17 LEU HD11 . 16319 1 196 . 1 1 17 17 LEU HD21 H 1 0.8740 0.01 . 2 . . . . 17 LEU HD21 . 16319 1 197 . 1 1 17 17 LEU HD22 H 1 0.8740 0.01 . 2 . . . . 17 LEU HD21 . 16319 1 198 . 1 1 17 17 LEU HD23 H 1 0.8740 0.01 . 2 . . . . 17 LEU HD21 . 16319 1 199 . 1 1 17 17 LEU HG H 1 2.0560 0.01 . 1 . . . . 17 LEU HG . 16319 1 200 . 1 1 17 17 LEU C C 13 179.3820 0.05 . 1 . . . . 17 LEU C . 16319 1 201 . 1 1 17 17 LEU CA C 13 57.9080 0.05 . 1 . . . . 17 LEU CA . 16319 1 202 . 1 1 17 17 LEU CB C 13 41.4590 0.05 . 1 . . . . 17 LEU CB . 16319 1 203 . 1 1 17 17 LEU CD1 C 13 26.5620 0.05 . 2 . . . . 17 LEU CD1 . 16319 1 204 . 1 1 17 17 LEU CD2 C 13 21.6700 0.05 . 2 . . . . 17 LEU CD2 . 16319 1 205 . 1 1 17 17 LEU CG C 13 26.9660 0.05 . 1 . . . . 17 LEU CG . 16319 1 206 . 1 1 17 17 LEU N N 15 121.9950 0.05 . 1 . . . . 17 LEU N . 16319 1 207 . 1 1 18 18 ILE H H 1 8.6900 0.01 . 1 . . . . 18 ILE HN . 16319 1 208 . 1 1 18 18 ILE HA H 1 3.7990 0.01 . 1 . . . . 18 ILE HA . 16319 1 209 . 1 1 18 18 ILE HB H 1 1.8120 0.01 . 1 . . . . 18 ILE HB . 16319 1 210 . 1 1 18 18 ILE HD11 H 1 0.5590 0.01 . 1 . . . . 18 ILE HD11 . 16319 1 211 . 1 1 18 18 ILE HD12 H 1 0.5590 0.01 . 1 . . . . 18 ILE HD11 . 16319 1 212 . 1 1 18 18 ILE HD13 H 1 0.5590 0.01 . 1 . . . . 18 ILE HD11 . 16319 1 213 . 1 1 18 18 ILE HG12 H 1 2.0520 0.01 . 2 . . . . 18 ILE HG11 . 16319 1 214 . 1 1 18 18 ILE HG13 H 1 0.9000 0.01 . 2 . . . . 18 ILE HG12 . 16319 1 215 . 1 1 18 18 ILE HG21 H 1 0.7510 0.01 . 1 . . . . 18 ILE HG21 . 16319 1 216 . 1 1 18 18 ILE HG22 H 1 0.7510 0.01 . 1 . . . . 18 ILE HG21 . 16319 1 217 . 1 1 18 18 ILE HG23 H 1 0.7510 0.01 . 1 . . . . 18 ILE HG21 . 16319 1 218 . 1 1 18 18 ILE C C 13 181.5450 0.05 . 1 . . . . 18 ILE C . 16319 1 219 . 1 1 18 18 ILE CA C 13 65.8490 0.05 . 1 . . . . 18 ILE CA . 16319 1 220 . 1 1 18 18 ILE CB C 13 37.8440 0.05 . 1 . . . . 18 ILE CB . 16319 1 221 . 1 1 18 18 ILE CD1 C 13 14.7400 0.05 . 1 . . . . 18 ILE CD1 . 16319 1 222 . 1 1 18 18 ILE CG1 C 13 29.4780 0.05 . 1 . . . . 18 ILE CG1 . 16319 1 223 . 1 1 18 18 ILE CG2 C 13 17.2500 0.05 . 1 . . . . 18 ILE CG2 . 16319 1 224 . 1 1 18 18 ILE N N 15 121.2730 0.05 . 1 . . . . 18 ILE N . 16319 1 225 . 1 1 19 19 ASN H H 1 8.6630 0.01 . 1 . . . . 19 ASN HN . 16319 1 226 . 1 1 19 19 ASN HA H 1 4.5480 0.01 . 1 . . . . 19 ASN HA . 16319 1 227 . 1 1 19 19 ASN HB2 H 1 2.9030 0.01 . 2 . . . . 19 ASN HB1 . 16319 1 228 . 1 1 19 19 ASN HB3 H 1 2.8190 0.01 . 2 . . . . 19 ASN HB2 . 16319 1 229 . 1 1 19 19 ASN HD21 H 1 7.7730 0.01 . 2 . . . . 19 ASN HD21 . 16319 1 230 . 1 1 19 19 ASN HD22 H 1 6.2360 0.01 . 2 . . . . 19 ASN HD22 . 16319 1 231 . 1 1 19 19 ASN C C 13 176.1650 0.05 . 1 . . . . 19 ASN C . 16319 1 232 . 1 1 19 19 ASN CA C 13 55.3650 0.05 . 1 . . . . 19 ASN CA . 16319 1 233 . 1 1 19 19 ASN CB C 13 38.1960 0.05 . 1 . . . . 19 ASN CB . 16319 1 234 . 1 1 19 19 ASN CG C 13 175.0640 0.05 . 1 . . . . 19 ASN CG . 16319 1 235 . 1 1 19 19 ASN N N 15 120.6620 0.05 . 1 . . . . 19 ASN N . 16319 1 236 . 1 1 19 19 ASN ND2 N 15 110.2610 0.05 . 1 . . . . 19 ASN ND2 . 16319 1 237 . 1 1 20 20 ALA H H 1 7.5640 0.01 . 1 . . . . 20 ALA HN . 16319 1 238 . 1 1 20 20 ALA HA H 1 4.4110 0.01 . 1 . . . . 20 ALA HA . 16319 1 239 . 1 1 20 20 ALA HB1 H 1 1.5910 0.01 . 1 . . . . 20 ALA HB1 . 16319 1 240 . 1 1 20 20 ALA HB2 H 1 1.5910 0.01 . 1 . . . . 20 ALA HB1 . 16319 1 241 . 1 1 20 20 ALA HB3 H 1 1.5910 0.01 . 1 . . . . 20 ALA HB1 . 16319 1 242 . 1 1 20 20 ALA C C 13 175.8600 0.05 . 1 . . . . 20 ALA C . 16319 1 243 . 1 1 20 20 ALA CA C 13 52.4780 0.05 . 1 . . . . 20 ALA CA . 16319 1 244 . 1 1 20 20 ALA CB C 13 18.6680 0.05 . 1 . . . . 20 ALA CB . 16319 1 245 . 1 1 20 20 ALA N N 15 120.1050 0.05 . 1 . . . . 20 ALA N . 16319 1 246 . 1 1 21 21 GLY H H 1 7.9590 0.01 . 1 . . . . 21 GLY HN . 16319 1 247 . 1 1 21 21 GLY HA2 H 1 4.3100 0.01 . 2 . . . . 21 GLY HA1 . 16319 1 248 . 1 1 21 21 GLY HA3 H 1 3.8040 0.01 . 2 . . . . 21 GLY HA2 . 16319 1 249 . 1 1 21 21 GLY C C 13 175.0140 0.05 . 1 . . . . 21 GLY C . 16319 1 250 . 1 1 21 21 GLY CA C 13 45.2860 0.05 . 1 . . . . 21 GLY CA . 16319 1 251 . 1 1 21 21 GLY N N 15 105.5890 0.05 . 1 . . . . 21 GLY N . 16319 1 252 . 1 1 22 22 LEU H H 1 7.5290 0.01 . 1 . . . . 22 LEU HN . 16319 1 253 . 1 1 22 22 LEU HA H 1 4.4620 0.01 . 1 . . . . 22 LEU HA . 16319 1 254 . 1 1 22 22 LEU HB2 H 1 1.7040 0.01 . 2 . . . . 22 LEU HB1 . 16319 1 255 . 1 1 22 22 LEU HB3 H 1 1.4790 0.01 . 2 . . . . 22 LEU HB2 . 16319 1 256 . 1 1 22 22 LEU HD11 H 1 0.9380 0.01 . 2 . . . . 22 LEU HD11 . 16319 1 257 . 1 1 22 22 LEU HD12 H 1 0.9380 0.01 . 2 . . . . 22 LEU HD11 . 16319 1 258 . 1 1 22 22 LEU HD13 H 1 0.9380 0.01 . 2 . . . . 22 LEU HD11 . 16319 1 259 . 1 1 22 22 LEU HD21 H 1 0.8820 0.01 . 2 . . . . 22 LEU HD21 . 16319 1 260 . 1 1 22 22 LEU HD22 H 1 0.8820 0.01 . 2 . . . . 22 LEU HD21 . 16319 1 261 . 1 1 22 22 LEU HD23 H 1 0.8820 0.01 . 2 . . . . 22 LEU HD21 . 16319 1 262 . 1 1 22 22 LEU HG H 1 1.8090 0.01 . 1 . . . . 22 LEU HG . 16319 1 263 . 1 1 22 22 LEU C C 13 177.2710 0.05 . 1 . . . . 22 LEU C . 16319 1 264 . 1 1 22 22 LEU CA C 13 56.3880 0.05 . 1 . . . . 22 LEU CA . 16319 1 265 . 1 1 22 22 LEU CB C 13 42.4420 0.05 . 1 . . . . 22 LEU CB . 16319 1 266 . 1 1 22 22 LEU CD1 C 13 25.4410 0.05 . 2 . . . . 22 LEU CD1 . 16319 1 267 . 1 1 22 22 LEU CD2 C 13 25.0360 0.05 . 2 . . . . 22 LEU CD2 . 16319 1 268 . 1 1 22 22 LEU CG C 13 29.8480 0.05 . 1 . . . . 22 LEU CG . 16319 1 269 . 1 1 22 22 LEU N N 15 121.6080 0.05 . 1 . . . . 22 LEU N . 16319 1 270 . 1 1 23 23 THR H H 1 7.9760 0.01 . 1 . . . . 23 THR HN . 16319 1 271 . 1 1 23 23 THR HA H 1 4.3350 0.01 . 1 . . . . 23 THR HA . 16319 1 272 . 1 1 23 23 THR HB H 1 4.5280 0.01 . 1 . . . . 23 THR HB . 16319 1 273 . 1 1 23 23 THR HG21 H 1 1.3730 0.01 . 1 . . . . 23 THR HG21 . 16319 1 274 . 1 1 23 23 THR HG22 H 1 1.3730 0.01 . 1 . . . . 23 THR HG21 . 16319 1 275 . 1 1 23 23 THR HG23 H 1 1.3730 0.01 . 1 . . . . 23 THR HG21 . 16319 1 276 . 1 1 23 23 THR C C 13 175.9780 0.05 . 1 . . . . 23 THR C . 16319 1 277 . 1 1 23 23 THR CA C 13 60.1850 0.05 . 1 . . . . 23 THR CA . 16319 1 278 . 1 1 23 23 THR CB C 13 71.1420 0.05 . 1 . . . . 23 THR CB . 16319 1 279 . 1 1 23 23 THR CG2 C 13 22.0910 0.05 . 1 . . . . 23 THR CG2 . 16319 1 280 . 1 1 23 23 THR N N 15 108.7560 0.05 . 1 . . . . 23 THR N . 16319 1 281 . 1 1 24 24 VAL H H 1 8.2010 0.01 . 1 . . . . 24 VAL HN . 16319 1 282 . 1 1 24 24 VAL HA H 1 3.3370 0.01 . 1 . . . . 24 VAL HA . 16319 1 283 . 1 1 24 24 VAL HB H 1 0.9970 0.01 . 1 . . . . 24 VAL HB . 16319 1 284 . 1 1 24 24 VAL HG11 H 1 0.7690 0.01 . 2 . . . . 24 VAL HG11 . 16319 1 285 . 1 1 24 24 VAL HG12 H 1 0.7690 0.01 . 2 . . . . 24 VAL HG11 . 16319 1 286 . 1 1 24 24 VAL HG13 H 1 0.7690 0.01 . 2 . . . . 24 VAL HG11 . 16319 1 287 . 1 1 24 24 VAL HG21 H 1 0.6120 0.01 . 2 . . . . 24 VAL HG21 . 16319 1 288 . 1 1 24 24 VAL HG22 H 1 0.6120 0.01 . 2 . . . . 24 VAL HG21 . 16319 1 289 . 1 1 24 24 VAL HG23 H 1 0.6120 0.01 . 2 . . . . 24 VAL HG21 . 16319 1 290 . 1 1 24 24 VAL C C 13 176.7720 0.05 . 1 . . . . 24 VAL C . 16319 1 291 . 1 1 24 24 VAL CA C 13 66.1720 0.05 . 1 . . . . 24 VAL CA . 16319 1 292 . 1 1 24 24 VAL CB C 13 30.7520 0.05 . 1 . . . . 24 VAL CB . 16319 1 293 . 1 1 24 24 VAL CG1 C 13 20.0030 0.05 . 2 . . . . 24 VAL CG1 . 16319 1 294 . 1 1 24 24 VAL CG2 C 13 22.6670 0.05 . 2 . . . . 24 VAL CG2 . 16319 1 295 . 1 1 24 24 VAL N N 15 119.8970 0.05 . 1 . . . . 24 VAL N . 16319 1 296 . 1 1 25 25 GLY H H 1 8.3280 0.01 . 1 . . . . 25 GLY HN . 16319 1 297 . 1 1 25 25 GLY HA2 H 1 3.8300 0.01 . 2 . . . . 25 GLY HA1 . 16319 1 298 . 1 1 25 25 GLY HA3 H 1 3.7220 0.01 . 2 . . . . 25 GLY HA2 . 16319 1 299 . 1 1 25 25 GLY C C 13 177.3520 0.05 . 1 . . . . 25 GLY C . 16319 1 300 . 1 1 25 25 GLY CA C 13 46.8240 0.05 . 1 . . . . 25 GLY CA . 16319 1 301 . 1 1 25 25 GLY N N 15 106.8360 0.05 . 1 . . . . 25 GLY N . 16319 1 302 . 1 1 26 26 SER H H 1 7.6260 0.01 . 1 . . . . 26 SER HN . 16319 1 303 . 1 1 26 26 SER HA H 1 4.2860 0.01 . 1 . . . . 26 SER HA . 16319 1 304 . 1 1 26 26 SER HB2 H 1 3.9990 0.01 . 2 . . . . 26 SER HB1 . 16319 1 305 . 1 1 26 26 SER HB3 H 1 3.8920 0.01 . 2 . . . . 26 SER HB2 . 16319 1 306 . 1 1 26 26 SER C C 13 176.1600 0.05 . 1 . . . . 26 SER C . 16319 1 307 . 1 1 26 26 SER CA C 13 61.8290 0.05 . 1 . . . . 26 SER CA . 16319 1 308 . 1 1 26 26 SER CB C 13 63.0220 0.05 . 1 . . . . 26 SER CB . 16319 1 309 . 1 1 26 26 SER N N 15 118.3670 0.05 . 1 . . . . 26 SER N . 16319 1 310 . 1 1 27 27 ILE H H 1 8.0720 0.01 . 1 . . . . 27 ILE HN . 16319 1 311 . 1 1 27 27 ILE HA H 1 3.4940 0.01 . 1 . . . . 27 ILE HA . 16319 1 312 . 1 1 27 27 ILE HB H 1 1.9540 0.01 . 1 . . . . 27 ILE HB . 16319 1 313 . 1 1 27 27 ILE HD11 H 1 0.7900 0.01 . 1 . . . . 27 ILE HD11 . 16319 1 314 . 1 1 27 27 ILE HD12 H 1 0.7900 0.01 . 1 . . . . 27 ILE HD11 . 16319 1 315 . 1 1 27 27 ILE HD13 H 1 0.7900 0.01 . 1 . . . . 27 ILE HD11 . 16319 1 316 . 1 1 27 27 ILE HG12 H 1 1.9140 0.01 . 2 . . . . 27 ILE HG11 . 16319 1 317 . 1 1 27 27 ILE HG13 H 1 0.8730 0.01 . 2 . . . . 27 ILE HG12 . 16319 1 318 . 1 1 27 27 ILE HG21 H 1 0.8940 0.01 . 1 . . . . 27 ILE HG21 . 16319 1 319 . 1 1 27 27 ILE HG22 H 1 0.8940 0.01 . 1 . . . . 27 ILE HG21 . 16319 1 320 . 1 1 27 27 ILE HG23 H 1 0.8940 0.01 . 1 . . . . 27 ILE HG21 . 16319 1 321 . 1 1 27 27 ILE C C 13 177.3640 0.05 . 1 . . . . 27 ILE C . 16319 1 322 . 1 1 27 27 ILE CA C 13 66.3330 0.05 . 1 . . . . 27 ILE CA . 16319 1 323 . 1 1 27 27 ILE CB C 13 38.0650 0.05 . 1 . . . . 27 ILE CB . 16319 1 324 . 1 1 27 27 ILE CD1 C 13 14.7410 0.05 . 1 . . . . 27 ILE CD1 . 16319 1 325 . 1 1 27 27 ILE CG1 C 13 30.1530 0.05 . 1 . . . . 27 ILE CG1 . 16319 1 326 . 1 1 27 27 ILE CG2 C 13 17.7540 0.05 . 1 . . . . 27 ILE CG2 . 16319 1 327 . 1 1 27 27 ILE N N 15 122.6630 0.05 . 1 . . . . 27 ILE N . 16319 1 328 . 1 1 28 28 ILE H H 1 8.3170 0.01 . 1 . . . . 28 ILE HN . 16319 1 329 . 1 1 28 28 ILE HA H 1 3.7900 0.01 . 1 . . . . 28 ILE HA . 16319 1 330 . 1 1 28 28 ILE HB H 1 1.7940 0.01 . 1 . . . . 28 ILE HB . 16319 1 331 . 1 1 28 28 ILE HD11 H 1 0.8170 0.01 . 1 . . . . 28 ILE HD11 . 16319 1 332 . 1 1 28 28 ILE HD12 H 1 0.8170 0.01 . 1 . . . . 28 ILE HD11 . 16319 1 333 . 1 1 28 28 ILE HD13 H 1 0.8170 0.01 . 1 . . . . 28 ILE HD11 . 16319 1 334 . 1 1 28 28 ILE HG12 H 1 1.7070 0.01 . 2 . . . . 28 ILE HG11 . 16319 1 335 . 1 1 28 28 ILE HG13 H 1 1.1200 0.01 . 2 . . . . 28 ILE HG12 . 16319 1 336 . 1 1 28 28 ILE HG21 H 1 0.8470 0.01 . 1 . . . . 28 ILE HG21 . 16319 1 337 . 1 1 28 28 ILE HG22 H 1 0.8470 0.01 . 1 . . . . 28 ILE HG21 . 16319 1 338 . 1 1 28 28 ILE HG23 H 1 0.8470 0.01 . 1 . . . . 28 ILE HG21 . 16319 1 339 . 1 1 28 28 ILE C C 13 179.2780 0.05 . 1 . . . . 28 ILE C . 16319 1 340 . 1 1 28 28 ILE CA C 13 65.1070 0.05 . 1 . . . . 28 ILE CA . 16319 1 341 . 1 1 28 28 ILE CB C 13 38.1850 0.05 . 1 . . . . 28 ILE CB . 16319 1 342 . 1 1 28 28 ILE CD1 C 13 14.3830 0.05 . 1 . . . . 28 ILE CD1 . 16319 1 343 . 1 1 28 28 ILE CG1 C 13 28.9690 0.05 . 1 . . . . 28 ILE CG1 . 16319 1 344 . 1 1 28 28 ILE CG2 C 13 17.0400 0.05 . 1 . . . . 28 ILE CG2 . 16319 1 345 . 1 1 28 28 ILE N N 15 119.7220 0.05 . 1 . . . . 28 ILE N . 16319 1 346 . 1 1 29 29 SER H H 1 7.7030 0.01 . 1 . . . . 29 SER HN . 16319 1 347 . 1 1 29 29 SER HA H 1 4.1850 0.01 . 1 . . . . 29 SER HA . 16319 1 348 . 1 1 29 29 SER HB2 H 1 3.9870 0.01 . 2 . . . . 29 SER HB1 . 16319 1 349 . 1 1 29 29 SER C C 13 176.1980 0.05 . 1 . . . . 29 SER C . 16319 1 350 . 1 1 29 29 SER CA C 13 61.5880 0.05 . 1 . . . . 29 SER CA . 16319 1 351 . 1 1 29 29 SER CB C 13 63.0210 0.05 . 1 . . . . 29 SER CB . 16319 1 352 . 1 1 29 29 SER N N 15 114.9670 0.05 . 1 . . . . 29 SER N . 16319 1 353 . 1 1 30 30 ILE H H 1 7.7980 0.01 . 1 . . . . 30 ILE HN . 16319 1 354 . 1 1 30 30 ILE HA H 1 3.8840 0.01 . 1 . . . . 30 ILE HA . 16319 1 355 . 1 1 30 30 ILE HB H 1 1.7700 0.01 . 1 . . . . 30 ILE HB . 16319 1 356 . 1 1 30 30 ILE HD11 H 1 0.7940 0.01 . 1 . . . . 30 ILE HD11 . 16319 1 357 . 1 1 30 30 ILE HD12 H 1 0.7940 0.01 . 1 . . . . 30 ILE HD11 . 16319 1 358 . 1 1 30 30 ILE HD13 H 1 0.7940 0.01 . 1 . . . . 30 ILE HD11 . 16319 1 359 . 1 1 30 30 ILE HG12 H 1 1.7400 0.01 . 2 . . . . 30 ILE HG11 . 16319 1 360 . 1 1 30 30 ILE HG13 H 1 1.0750 0.01 . 2 . . . . 30 ILE HG12 . 16319 1 361 . 1 1 30 30 ILE HG21 H 1 0.8560 0.01 . 1 . . . . 30 ILE HG21 . 16319 1 362 . 1 1 30 30 ILE HG22 H 1 0.8560 0.01 . 1 . . . . 30 ILE HG21 . 16319 1 363 . 1 1 30 30 ILE HG23 H 1 0.8560 0.01 . 1 . . . . 30 ILE HG21 . 16319 1 364 . 1 1 30 30 ILE C C 13 177.7210 0.05 . 1 . . . . 30 ILE C . 16319 1 365 . 1 1 30 30 ILE CA C 13 64.2310 0.05 . 1 . . . . 30 ILE CA . 16319 1 366 . 1 1 30 30 ILE CB C 13 39.3820 0.05 . 1 . . . . 30 ILE CB . 16319 1 367 . 1 1 30 30 ILE CD1 C 13 14.2690 0.05 . 1 . . . . 30 ILE CD1 . 16319 1 368 . 1 1 30 30 ILE CG1 C 13 29.2380 0.05 . 1 . . . . 30 ILE CG1 . 16319 1 369 . 1 1 30 30 ILE CG2 C 13 17.1390 0.05 . 1 . . . . 30 ILE CG2 . 16319 1 370 . 1 1 30 30 ILE N N 15 120.5170 0.05 . 1 . . . . 30 ILE N . 16319 1 371 . 1 1 31 31 LEU H H 1 8.2790 0.01 . 1 . . . . 31 LEU HN . 16319 1 372 . 1 1 31 31 LEU HA H 1 4.3620 0.01 . 1 . . . . 31 LEU HA . 16319 1 373 . 1 1 31 31 LEU HB2 H 1 1.8490 0.01 . 2 . . . . 31 LEU HB1 . 16319 1 374 . 1 1 31 31 LEU HB3 H 1 1.4510 0.01 . 2 . . . . 31 LEU HB2 . 16319 1 375 . 1 1 31 31 LEU HD11 H 1 0.8740 0.01 . 2 . . . . 31 LEU HD11 . 16319 1 376 . 1 1 31 31 LEU HD12 H 1 0.8740 0.01 . 2 . . . . 31 LEU HD11 . 16319 1 377 . 1 1 31 31 LEU HD13 H 1 0.8740 0.01 . 2 . . . . 31 LEU HD11 . 16319 1 378 . 1 1 31 31 LEU HD21 H 1 0.8050 0.01 . 2 . . . . 31 LEU HD21 . 16319 1 379 . 1 1 31 31 LEU HD22 H 1 0.8050 0.01 . 2 . . . . 31 LEU HD21 . 16319 1 380 . 1 1 31 31 LEU HD23 H 1 0.8050 0.01 . 2 . . . . 31 LEU HD21 . 16319 1 381 . 1 1 31 31 LEU HG H 1 1.7340 0.01 . 1 . . . . 31 LEU HG . 16319 1 382 . 1 1 31 31 LEU C C 13 178.4750 0.05 . 1 . . . . 31 LEU C . 16319 1 383 . 1 1 31 31 LEU CA C 13 55.5870 0.05 . 1 . . . . 31 LEU CA . 16319 1 384 . 1 1 31 31 LEU CB C 13 39.6990 0.05 . 1 . . . . 31 LEU CB . 16319 1 385 . 1 1 31 31 LEU CD1 C 13 22.8760 0.05 . 2 . . . . 31 LEU CD1 . 16319 1 386 . 1 1 31 31 LEU CD2 C 13 27.3370 0.05 . 2 . . . . 31 LEU CD2 . 16319 1 387 . 1 1 31 31 LEU CG C 13 27.1300 0.05 . 1 . . . . 31 LEU CG . 16319 1 388 . 1 1 31 31 LEU N N 15 117.9410 0.05 . 1 . . . . 31 LEU N . 16319 1 389 . 1 1 32 32 GLY H H 1 8.2190 0.01 . 1 . . . . 32 GLY HN . 16319 1 390 . 1 1 32 32 GLY HA2 H 1 4.1230 0.01 . 2 . . . . 32 GLY HA1 . 16319 1 391 . 1 1 32 32 GLY HA3 H 1 3.8780 0.01 . 2 . . . . 32 GLY HA2 . 16319 1 392 . 1 1 32 32 GLY C C 13 175.5120 0.05 . 1 . . . . 32 GLY C . 16319 1 393 . 1 1 32 32 GLY CA C 13 45.6040 0.05 . 1 . . . . 32 GLY CA . 16319 1 394 . 1 1 32 32 GLY N N 15 107.5910 0.05 . 1 . . . . 32 GLY N . 16319 1 395 . 1 1 33 33 GLY H H 1 8.6670 0.01 . 1 . . . . 33 GLY HN . 16319 1 396 . 1 1 33 33 GLY HA2 H 1 4.0620 0.01 . 2 . . . . 33 GLY HA1 . 16319 1 397 . 1 1 33 33 GLY HA3 H 1 3.8790 0.01 . 2 . . . . 33 GLY HA2 . 16319 1 398 . 1 1 33 33 GLY C C 13 175.5100 0.05 . 1 . . . . 33 GLY C . 16319 1 399 . 1 1 33 33 GLY CA C 13 46.6030 0.05 . 1 . . . . 33 GLY CA . 16319 1 400 . 1 1 33 33 GLY N N 15 109.7000 0.05 . 1 . . . . 33 GLY N . 16319 1 401 . 1 1 34 34 VAL H H 1 8.0490 0.01 . 1 . . . . 34 VAL HN . 16319 1 402 . 1 1 34 34 VAL HA H 1 4.3090 0.01 . 1 . . . . 34 VAL HA . 16319 1 403 . 1 1 34 34 VAL HB H 1 2.3810 0.01 . 1 . . . . 34 VAL HB . 16319 1 404 . 1 1 34 34 VAL HG11 H 1 1.0640 0.01 . 2 . . . . 34 VAL HG11 . 16319 1 405 . 1 1 34 34 VAL HG12 H 1 1.0640 0.01 . 2 . . . . 34 VAL HG11 . 16319 1 406 . 1 1 34 34 VAL HG13 H 1 1.0640 0.01 . 2 . . . . 34 VAL HG11 . 16319 1 407 . 1 1 34 34 VAL HG21 H 1 1.0160 0.01 . 2 . . . . 34 VAL HG21 . 16319 1 408 . 1 1 34 34 VAL HG22 H 1 1.0160 0.01 . 2 . . . . 34 VAL HG21 . 16319 1 409 . 1 1 34 34 VAL HG23 H 1 1.0160 0.01 . 2 . . . . 34 VAL HG21 . 16319 1 410 . 1 1 34 34 VAL C C 13 176.7260 0.05 . 1 . . . . 34 VAL C . 16319 1 411 . 1 1 34 34 VAL CA C 13 62.7800 0.05 . 1 . . . . 34 VAL CA . 16319 1 412 . 1 1 34 34 VAL CB C 13 32.0220 0.05 . 1 . . . . 34 VAL CB . 16319 1 413 . 1 1 34 34 VAL CG1 C 13 21.3880 0.05 . 2 . . . . 34 VAL CG1 . 16319 1 414 . 1 1 34 34 VAL CG2 C 13 20.2320 0.05 . 2 . . . . 34 VAL CG2 . 16319 1 415 . 1 1 34 34 VAL N N 15 117.7370 0.05 . 1 . . . . 34 VAL N . 16319 1 416 . 1 1 35 35 THR H H 1 8.1410 0.01 . 1 . . . . 35 THR HN . 16319 1 417 . 1 1 35 35 THR HA H 1 4.2390 0.01 . 1 . . . . 35 THR HA . 16319 1 418 . 1 1 35 35 THR HB H 1 4.3550 0.01 . 1 . . . . 35 THR HB . 16319 1 419 . 1 1 35 35 THR HG21 H 1 1.1510 0.01 . 1 . . . . 35 THR HG21 . 16319 1 420 . 1 1 35 35 THR HG22 H 1 1.1510 0.01 . 1 . . . . 35 THR HG21 . 16319 1 421 . 1 1 35 35 THR HG23 H 1 1.1510 0.01 . 1 . . . . 35 THR HG21 . 16319 1 422 . 1 1 35 35 THR C C 13 174.9050 0.05 . 1 . . . . 35 THR C . 16319 1 423 . 1 1 35 35 THR CA C 13 62.5710 0.05 . 1 . . . . 35 THR CA . 16319 1 424 . 1 1 35 35 THR CB C 13 69.2470 0.05 . 1 . . . . 35 THR CB . 16319 1 425 . 1 1 35 35 THR CG2 C 13 22.8360 0.05 . 1 . . . . 35 THR CG2 . 16319 1 426 . 1 1 35 35 THR N N 15 111.8840 0.05 . 1 . . . . 35 THR N . 16319 1 427 . 1 1 36 36 VAL H H 1 7.5600 0.01 . 1 . . . . 36 VAL HN . 16319 1 428 . 1 1 36 36 VAL HA H 1 3.9400 0.01 . 1 . . . . 36 VAL HA . 16319 1 429 . 1 1 36 36 VAL HB H 1 2.1640 0.01 . 1 . . . . 36 VAL HB . 16319 1 430 . 1 1 36 36 VAL HG11 H 1 1.0330 0.01 . 2 . . . . 36 VAL HG11 . 16319 1 431 . 1 1 36 36 VAL HG12 H 1 1.0330 0.01 . 2 . . . . 36 VAL HG11 . 16319 1 432 . 1 1 36 36 VAL HG13 H 1 1.0330 0.01 . 2 . . . . 36 VAL HG11 . 16319 1 433 . 1 1 36 36 VAL HG21 H 1 1.0030 0.01 . 2 . . . . 36 VAL HG21 . 16319 1 434 . 1 1 36 36 VAL HG22 H 1 1.0030 0.01 . 2 . . . . 36 VAL HG21 . 16319 1 435 . 1 1 36 36 VAL HG23 H 1 1.0030 0.01 . 2 . . . . 36 VAL HG21 . 16319 1 436 . 1 1 36 36 VAL C C 13 177.0030 0.05 . 1 . . . . 36 VAL C . 16319 1 437 . 1 1 36 36 VAL CA C 13 64.4400 0.05 . 1 . . . . 36 VAL CA . 16319 1 438 . 1 1 36 36 VAL CB C 13 31.9260 0.05 . 1 . . . . 36 VAL CB . 16319 1 439 . 1 1 36 36 VAL CG1 C 13 20.9440 0.05 . 2 . . . . 36 VAL CG1 . 16319 1 440 . 1 1 36 36 VAL CG2 C 13 20.9020 0.05 . 2 . . . . 36 VAL CG2 . 16319 1 441 . 1 1 36 36 VAL N N 15 120.0630 0.05 . 1 . . . . 36 VAL N . 16319 1 442 . 1 1 37 37 GLY H H 1 8.4270 0.01 . 1 . . . . 37 GLY HN . 16319 1 443 . 1 1 37 37 GLY HA2 H 1 4.1430 0.01 . 2 . . . . 37 GLY HA1 . 16319 1 444 . 1 1 37 37 GLY HA3 H 1 4.0770 0.01 . 2 . . . . 37 GLY HA2 . 16319 1 445 . 1 1 37 37 GLY C C 13 176.0840 0.05 . 1 . . . . 37 GLY C . 16319 1 446 . 1 1 37 37 GLY CA C 13 45.5930 0.05 . 1 . . . . 37 GLY CA . 16319 1 447 . 1 1 37 37 GLY N N 15 110.5700 0.05 . 1 . . . . 37 GLY N . 16319 1 448 . 1 1 38 38 LEU H H 1 8.1570 0.01 . 1 . . . . 38 LEU HN . 16319 1 449 . 1 1 38 38 LEU HA H 1 4.0940 0.01 . 1 . . . . 38 LEU HA . 16319 1 450 . 1 1 38 38 LEU HB2 H 1 1.6300 0.01 . 2 . . . . 38 LEU HB1 . 16319 1 451 . 1 1 38 38 LEU HD11 H 1 0.9250 0.01 . 2 . . . . 38 LEU HD11 . 16319 1 452 . 1 1 38 38 LEU HD12 H 1 0.9250 0.01 . 2 . . . . 38 LEU HD11 . 16319 1 453 . 1 1 38 38 LEU HD13 H 1 0.9250 0.01 . 2 . . . . 38 LEU HD11 . 16319 1 454 . 1 1 38 38 LEU HD21 H 1 0.9060 0.01 . 2 . . . . 38 LEU HD21 . 16319 1 455 . 1 1 38 38 LEU HD22 H 1 0.9060 0.01 . 2 . . . . 38 LEU HD21 . 16319 1 456 . 1 1 38 38 LEU HD23 H 1 0.9060 0.01 . 2 . . . . 38 LEU HD21 . 16319 1 457 . 1 1 38 38 LEU HG H 1 1.7580 0.01 . 1 . . . . 38 LEU HG . 16319 1 458 . 1 1 38 38 LEU C C 13 177.9480 0.05 . 1 . . . . 38 LEU C . 16319 1 459 . 1 1 38 38 LEU CA C 13 56.4720 0.05 . 1 . . . . 38 LEU CA . 16319 1 460 . 1 1 38 38 LEU CB C 13 42.6440 0.05 . 1 . . . . 38 LEU CB . 16319 1 461 . 1 1 38 38 LEU CD1 C 13 24.7740 0.05 . 2 . . . . 38 LEU CD1 . 16319 1 462 . 1 1 38 38 LEU CD2 C 13 25.5690 0.05 . 2 . . . . 38 LEU CD2 . 16319 1 463 . 1 1 38 38 LEU CG C 13 27.2230 0.05 . 1 . . . . 38 LEU CG . 16319 1 464 . 1 1 38 38 LEU N N 15 121.0950 0.05 . 1 . . . . 38 LEU N . 16319 1 465 . 1 1 39 39 SER H H 1 8.4170 0.01 . 1 . . . . 39 SER HN . 16319 1 466 . 1 1 39 39 SER HA H 1 3.9210 0.01 . 1 . . . . 39 SER HA . 16319 1 467 . 1 1 39 39 SER HB2 H 1 3.9590 0.01 . 2 . . . . 39 SER HB1 . 16319 1 468 . 1 1 39 39 SER HB3 H 1 3.8640 0.01 . 2 . . . . 39 SER HB2 . 16319 1 469 . 1 1 39 39 SER C C 13 176.7420 0.05 . 1 . . . . 39 SER C . 16319 1 470 . 1 1 39 39 SER CA C 13 62.2500 0.05 . 1 . . . . 39 SER CA . 16319 1 471 . 1 1 39 39 SER CB C 13 62.2280 0.05 . 1 . . . . 39 SER CB . 16319 1 472 . 1 1 39 39 SER N N 15 113.1220 0.05 . 1 . . . . 39 SER N . 16319 1 473 . 1 1 40 40 GLY H H 1 8.1690 0.01 . 1 . . . . 40 GLY HN . 16319 1 474 . 1 1 40 40 GLY HA2 H 1 4.1080 0.01 . 2 . . . . 40 GLY HA1 . 16319 1 475 . 1 1 40 40 GLY HA3 H 1 3.9900 0.01 . 2 . . . . 40 GLY HA2 . 16319 1 476 . 1 1 40 40 GLY C C 13 175.2250 0.05 . 1 . . . . 40 GLY C . 16319 1 477 . 1 1 40 40 GLY CA C 13 46.3540 0.05 . 1 . . . . 40 GLY CA . 16319 1 478 . 1 1 40 40 GLY N N 15 107.8560 0.05 . 1 . . . . 40 GLY N . 16319 1 479 . 1 1 41 41 VAL H H 1 7.3210 0.01 . 1 . . . . 41 VAL HN . 16319 1 480 . 1 1 41 41 VAL HA H 1 4.4820 0.01 . 1 . . . . 41 VAL HA . 16319 1 481 . 1 1 41 41 VAL HB H 1 1.7750 0.01 . 1 . . . . 41 VAL HB . 16319 1 482 . 1 1 41 41 VAL HG11 H 1 0.6100 0.01 . 2 . . . . 41 VAL HG11 . 16319 1 483 . 1 1 41 41 VAL HG12 H 1 0.6100 0.01 . 2 . . . . 41 VAL HG11 . 16319 1 484 . 1 1 41 41 VAL HG13 H 1 0.6100 0.01 . 2 . . . . 41 VAL HG11 . 16319 1 485 . 1 1 41 41 VAL HG21 H 1 0.4050 0.01 . 2 . . . . 41 VAL HG21 . 16319 1 486 . 1 1 41 41 VAL HG22 H 1 0.4050 0.01 . 2 . . . . 41 VAL HG21 . 16319 1 487 . 1 1 41 41 VAL HG23 H 1 0.4050 0.01 . 2 . . . . 41 VAL HG21 . 16319 1 488 . 1 1 41 41 VAL C C 13 176.1120 0.05 . 1 . . . . 41 VAL C . 16319 1 489 . 1 1 41 41 VAL CA C 13 61.4900 0.05 . 1 . . . . 41 VAL CA . 16319 1 490 . 1 1 41 41 VAL CB C 13 33.2110 0.05 . 1 . . . . 41 VAL CB . 16319 1 491 . 1 1 41 41 VAL CG1 C 13 20.4180 0.05 . 2 . . . . 41 VAL CG1 . 16319 1 492 . 1 1 41 41 VAL CG2 C 13 20.2720 0.05 . 2 . . . . 41 VAL CG2 . 16319 1 493 . 1 1 41 41 VAL N N 15 114.9220 0.05 . 1 . . . . 41 VAL N . 16319 1 494 . 1 1 42 42 PHE H H 1 7.8320 0.01 . 1 . . . . 42 PHE HN . 16319 1 495 . 1 1 42 42 PHE HA H 1 3.8900 0.01 . 1 . . . . 42 PHE HA . 16319 1 496 . 1 1 42 42 PHE HB2 H 1 3.2220 0.01 . 2 . . . . 42 PHE HB1 . 16319 1 497 . 1 1 42 42 PHE HB3 H 1 3.1440 0.01 . 2 . . . . 42 PHE HB2 . 16319 1 498 . 1 1 42 42 PHE HD1 H 1 7.0400 0.01 . 3 . . . . 42 PHE HD1 . 16319 1 499 . 1 1 42 42 PHE HE1 H 1 7.2440 0.01 . 3 . . . . 42 PHE HE1 . 16319 1 500 . 1 1 42 42 PHE HZ H 1 7.3500 0.01 . 1 . . . . 42 PHE HZ . 16319 1 501 . 1 1 42 42 PHE C C 13 176.6560 0.05 . 1 . . . . 42 PHE C . 16319 1 502 . 1 1 42 42 PHE CA C 13 62.3840 0.05 . 1 . . . . 42 PHE CA . 16319 1 503 . 1 1 42 42 PHE CB C 13 39.6770 0.05 . 1 . . . . 42 PHE CB . 16319 1 504 . 1 1 42 42 PHE CD1 C 13 131.3460 0.05 . 2 . . . . 42 PHE CD1 . 16319 1 505 . 1 1 42 42 PHE CE1 C 13 131.4760 0.05 . 2 . . . . 42 PHE CE1 . 16319 1 506 . 1 1 42 42 PHE CZ C 13 129.8020 0.05 . 1 . . . . 42 PHE CZ . 16319 1 507 . 1 1 42 42 PHE N N 15 122.7260 0.05 . 1 . . . . 42 PHE N . 16319 1 508 . 1 1 43 43 THR H H 1 8.6060 0.01 . 1 . . . . 43 THR HN . 16319 1 509 . 1 1 43 43 THR HA H 1 3.7710 0.01 . 1 . . . . 43 THR HA . 16319 1 510 . 1 1 43 43 THR HB H 1 4.2420 0.01 . 1 . . . . 43 THR HB . 16319 1 511 . 1 1 43 43 THR HG21 H 1 1.3410 0.01 . 1 . . . . 43 THR HG21 . 16319 1 512 . 1 1 43 43 THR HG22 H 1 1.3410 0.01 . 1 . . . . 43 THR HG21 . 16319 1 513 . 1 1 43 43 THR HG23 H 1 1.3410 0.01 . 1 . . . . 43 THR HG21 . 16319 1 514 . 1 1 43 43 THR C C 13 176.7550 0.05 . 1 . . . . 43 THR C . 16319 1 515 . 1 1 43 43 THR CA C 13 66.7870 0.05 . 1 . . . . 43 THR CA . 16319 1 516 . 1 1 43 43 THR CB C 13 68.3020 0.05 . 1 . . . . 43 THR CB . 16319 1 517 . 1 1 43 43 THR CG2 C 13 22.1700 0.05 . 1 . . . . 43 THR CG2 . 16319 1 518 . 1 1 43 43 THR N N 15 113.6130 0.05 . 1 . . . . 43 THR N . 16319 1 519 . 1 1 44 44 ALA H H 1 7.8600 0.01 . 1 . . . . 44 ALA HN . 16319 1 520 . 1 1 44 44 ALA HA H 1 4.2030 0.01 . 1 . . . . 44 ALA HA . 16319 1 521 . 1 1 44 44 ALA HB1 H 1 1.5120 0.01 . 1 . . . . 44 ALA HB1 . 16319 1 522 . 1 1 44 44 ALA HB2 H 1 1.5120 0.01 . 1 . . . . 44 ALA HB1 . 16319 1 523 . 1 1 44 44 ALA HB3 H 1 1.5120 0.01 . 1 . . . . 44 ALA HB1 . 16319 1 524 . 1 1 44 44 ALA C C 13 181.0440 0.05 . 1 . . . . 44 ALA C . 16319 1 525 . 1 1 44 44 ALA CA C 13 54.8960 0.05 . 1 . . . . 44 ALA CA . 16319 1 526 . 1 1 44 44 ALA CB C 13 17.9850 0.05 . 1 . . . . 44 ALA CB . 16319 1 527 . 1 1 44 44 ALA N N 15 125.4060 0.05 . 1 . . . . 44 ALA N . 16319 1 528 . 1 1 45 45 VAL H H 1 8.3910 0.01 . 1 . . . . 45 VAL HN . 16319 1 529 . 1 1 45 45 VAL HA H 1 3.5650 0.01 . 1 . . . . 45 VAL HA . 16319 1 530 . 1 1 45 45 VAL HB H 1 2.0460 0.01 . 1 . . . . 45 VAL HB . 16319 1 531 . 1 1 45 45 VAL HG11 H 1 1.0170 0.01 . 2 . . . . 45 VAL HG11 . 16319 1 532 . 1 1 45 45 VAL HG12 H 1 1.0170 0.01 . 2 . . . . 45 VAL HG11 . 16319 1 533 . 1 1 45 45 VAL HG13 H 1 1.0170 0.01 . 2 . . . . 45 VAL HG11 . 16319 1 534 . 1 1 45 45 VAL HG21 H 1 0.8360 0.01 . 2 . . . . 45 VAL HG21 . 16319 1 535 . 1 1 45 45 VAL HG22 H 1 0.8360 0.01 . 2 . . . . 45 VAL HG21 . 16319 1 536 . 1 1 45 45 VAL HG23 H 1 0.8360 0.01 . 2 . . . . 45 VAL HG21 . 16319 1 537 . 1 1 45 45 VAL C C 13 177.0790 0.05 . 1 . . . . 45 VAL C . 16319 1 538 . 1 1 45 45 VAL CA C 13 66.5230 0.05 . 1 . . . . 45 VAL CA . 16319 1 539 . 1 1 45 45 VAL CB C 13 31.3230 0.05 . 1 . . . . 45 VAL CB . 16319 1 540 . 1 1 45 45 VAL CG1 C 13 24.0370 0.05 . 2 . . . . 45 VAL CG1 . 16319 1 541 . 1 1 45 45 VAL CG2 C 13 22.4210 0.05 . 2 . . . . 45 VAL CG2 . 16319 1 542 . 1 1 45 45 VAL N N 15 120.4670 0.05 . 1 . . . . 45 VAL N . 16319 1 543 . 1 1 46 46 LYS H H 1 8.2700 0.01 . 1 . . . . 46 LYS HN . 16319 1 544 . 1 1 46 46 LYS HA H 1 3.6990 0.01 . 1 . . . . 46 LYS HA . 16319 1 545 . 1 1 46 46 LYS HB2 H 1 1.7870 0.01 . 2 . . . . 46 LYS HB1 . 16319 1 546 . 1 1 46 46 LYS HB3 H 1 1.4230 0.01 . 2 . . . . 46 LYS HB2 . 16319 1 547 . 1 1 46 46 LYS HD2 H 1 1.5480 0.01 . 2 . . . . 46 LYS HD1 . 16319 1 548 . 1 1 46 46 LYS HE2 H 1 2.9190 0.01 . 2 . . . . 46 LYS HE1 . 16319 1 549 . 1 1 46 46 LYS HG2 H 1 1.2160 0.01 . 2 . . . . 46 LYS HG1 . 16319 1 550 . 1 1 46 46 LYS C C 13 179.1710 0.05 . 1 . . . . 46 LYS C . 16319 1 551 . 1 1 46 46 LYS CA C 13 60.6060 0.05 . 1 . . . . 46 LYS CA . 16319 1 552 . 1 1 46 46 LYS CB C 13 32.0570 0.05 . 1 . . . . 46 LYS CB . 16319 1 553 . 1 1 46 46 LYS CD C 13 29.6470 0.05 . 1 . . . . 46 LYS CD . 16319 1 554 . 1 1 46 46 LYS CE C 13 41.7800 0.05 . 1 . . . . 46 LYS CE . 16319 1 555 . 1 1 46 46 LYS CG C 13 25.6050 0.05 . 1 . . . . 46 LYS CG . 16319 1 556 . 1 1 46 46 LYS N N 15 120.4610 0.05 . 1 . . . . 46 LYS N . 16319 1 557 . 1 1 47 47 ALA H H 1 7.8540 0.01 . 1 . . . . 47 ALA HN . 16319 1 558 . 1 1 47 47 ALA HA H 1 4.1920 0.01 . 1 . . . . 47 ALA HA . 16319 1 559 . 1 1 47 47 ALA HB1 H 1 1.4710 0.01 . 1 . . . . 47 ALA HB1 . 16319 1 560 . 1 1 47 47 ALA HB2 H 1 1.4710 0.01 . 1 . . . . 47 ALA HB1 . 16319 1 561 . 1 1 47 47 ALA HB3 H 1 1.4710 0.01 . 1 . . . . 47 ALA HB1 . 16319 1 562 . 1 1 47 47 ALA C C 13 179.5650 0.05 . 1 . . . . 47 ALA C . 16319 1 563 . 1 1 47 47 ALA CA C 13 54.7820 0.05 . 1 . . . . 47 ALA CA . 16319 1 564 . 1 1 47 47 ALA CB C 13 18.0040 0.05 . 1 . . . . 47 ALA CB . 16319 1 565 . 1 1 47 47 ALA N N 15 120.7990 0.05 . 1 . . . . 47 ALA N . 16319 1 566 . 1 1 48 48 ALA H H 1 7.9310 0.01 . 1 . . . . 48 ALA HN . 16319 1 567 . 1 1 48 48 ALA HA H 1 4.2320 0.01 . 1 . . . . 48 ALA HA . 16319 1 568 . 1 1 48 48 ALA HB1 H 1 1.4280 0.01 . 1 . . . . 48 ALA HB1 . 16319 1 569 . 1 1 48 48 ALA HB2 H 1 1.4280 0.01 . 1 . . . . 48 ALA HB1 . 16319 1 570 . 1 1 48 48 ALA HB3 H 1 1.4280 0.01 . 1 . . . . 48 ALA HB1 . 16319 1 571 . 1 1 48 48 ALA C C 13 180.1970 0.05 . 1 . . . . 48 ALA C . 16319 1 572 . 1 1 48 48 ALA CA C 13 55.0280 0.05 . 1 . . . . 48 ALA CA . 16319 1 573 . 1 1 48 48 ALA CB C 13 17.9680 0.05 . 1 . . . . 48 ALA CB . 16319 1 574 . 1 1 48 48 ALA N N 15 120.5850 0.05 . 1 . . . . 48 ALA N . 16319 1 575 . 1 1 49 49 ILE H H 1 8.2700 0.01 . 1 . . . . 49 ILE HN . 16319 1 576 . 1 1 49 49 ILE HA H 1 3.1900 0.01 . 1 . . . . 49 ILE HA . 16319 1 577 . 1 1 49 49 ILE HB H 1 1.8350 0.01 . 1 . . . . 49 ILE HB . 16319 1 578 . 1 1 49 49 ILE HD11 H 1 0.8550 0.01 . 1 . . . . 49 ILE HD11 . 16319 1 579 . 1 1 49 49 ILE HD12 H 1 0.8550 0.01 . 1 . . . . 49 ILE HD11 . 16319 1 580 . 1 1 49 49 ILE HD13 H 1 0.8550 0.01 . 1 . . . . 49 ILE HD11 . 16319 1 581 . 1 1 49 49 ILE HG12 H 1 1.9580 0.01 . 2 . . . . 49 ILE HG11 . 16319 1 582 . 1 1 49 49 ILE HG13 H 1 0.5900 0.01 . 2 . . . . 49 ILE HG12 . 16319 1 583 . 1 1 49 49 ILE HG21 H 1 0.8790 0.01 . 1 . . . . 49 ILE HG21 . 16319 1 584 . 1 1 49 49 ILE HG22 H 1 0.8790 0.01 . 1 . . . . 49 ILE HG21 . 16319 1 585 . 1 1 49 49 ILE HG23 H 1 0.8790 0.01 . 1 . . . . 49 ILE HG21 . 16319 1 586 . 1 1 49 49 ILE C C 13 177.7620 0.05 . 1 . . . . 49 ILE C . 16319 1 587 . 1 1 49 49 ILE CA C 13 66.3960 0.05 . 1 . . . . 49 ILE CA . 16319 1 588 . 1 1 49 49 ILE CB C 13 38.6980 0.05 . 1 . . . . 49 ILE CB . 16319 1 589 . 1 1 49 49 ILE CD1 C 13 15.6250 0.05 . 1 . . . . 49 ILE CD1 . 16319 1 590 . 1 1 49 49 ILE CG1 C 13 29.8320 0.05 . 1 . . . . 49 ILE CG1 . 16319 1 591 . 1 1 49 49 ILE CG2 C 13 17.3200 0.05 . 1 . . . . 49 ILE CG2 . 16319 1 592 . 1 1 49 49 ILE N N 15 118.5350 0.05 . 1 . . . . 49 ILE N . 16319 1 593 . 1 1 50 50 ALA H H 1 7.1980 0.01 . 1 . . . . 50 ALA HN . 16319 1 594 . 1 1 50 50 ALA HA H 1 4.1540 0.01 . 1 . . . . 50 ALA HA . 16319 1 595 . 1 1 50 50 ALA HB1 H 1 1.5170 0.01 . 1 . . . . 50 ALA HB1 . 16319 1 596 . 1 1 50 50 ALA HB2 H 1 1.5170 0.01 . 1 . . . . 50 ALA HB1 . 16319 1 597 . 1 1 50 50 ALA HB3 H 1 1.5170 0.01 . 1 . . . . 50 ALA HB1 . 16319 1 598 . 1 1 50 50 ALA C C 13 179.3230 0.05 . 1 . . . . 50 ALA C . 16319 1 599 . 1 1 50 50 ALA CA C 13 54.6840 0.05 . 1 . . . . 50 ALA CA . 16319 1 600 . 1 1 50 50 ALA CB C 13 18.8770 0.05 . 1 . . . . 50 ALA CB . 16319 1 601 . 1 1 50 50 ALA N N 15 118.8530 0.05 . 1 . . . . 50 ALA N . 16319 1 602 . 1 1 51 51 LYS H H 1 8.0470 0.01 . 1 . . . . 51 LYS HN . 16319 1 603 . 1 1 51 51 LYS HA H 1 4.3720 0.01 . 1 . . . . 51 LYS HA . 16319 1 604 . 1 1 51 51 LYS HB2 H 1 1.8800 0.01 . 2 . . . . 51 LYS HB1 . 16319 1 605 . 1 1 51 51 LYS HD2 H 1 1.6760 0.01 . 2 . . . . 51 LYS HD1 . 16319 1 606 . 1 1 51 51 LYS HE2 H 1 2.9820 0.01 . 2 . . . . 51 LYS HE1 . 16319 1 607 . 1 1 51 51 LYS HG2 H 1 1.5570 0.01 . 2 . . . . 51 LYS HG1 . 16319 1 608 . 1 1 51 51 LYS HG3 H 1 1.4680 0.01 . 2 . . . . 51 LYS HG2 . 16319 1 609 . 1 1 51 51 LYS C C 13 177.6940 0.05 . 1 . . . . 51 LYS C . 16319 1 610 . 1 1 51 51 LYS CA C 13 57.6780 0.05 . 1 . . . . 51 LYS CA . 16319 1 611 . 1 1 51 51 LYS CB C 13 34.2790 0.05 . 1 . . . . 51 LYS CB . 16319 1 612 . 1 1 51 51 LYS CD C 13 28.8350 0.05 . 1 . . . . 51 LYS CD . 16319 1 613 . 1 1 51 51 LYS CE C 13 42.0100 0.05 . 1 . . . . 51 LYS CE . 16319 1 614 . 1 1 51 51 LYS CG C 13 25.3960 0.05 . 1 . . . . 51 LYS CG . 16319 1 615 . 1 1 51 51 LYS N N 15 114.6060 0.05 . 1 . . . . 51 LYS N . 16319 1 616 . 1 1 52 52 GLN H H 1 8.7070 0.01 . 1 . . . . 52 GLN HN . 16319 1 617 . 1 1 52 52 GLN HA H 1 4.5920 0.01 . 1 . . . . 52 GLN HA . 16319 1 618 . 1 1 52 52 GLN HB2 H 1 2.2190 0.01 . 2 . . . . 52 GLN HB1 . 16319 1 619 . 1 1 52 52 GLN HB3 H 1 2.0670 0.01 . 2 . . . . 52 GLN HB2 . 16319 1 620 . 1 1 52 52 GLN HE21 H 1 7.5680 0.01 . 2 . . . . 52 GLN HE21 . 16319 1 621 . 1 1 52 52 GLN HE22 H 1 6.7820 0.01 . 2 . . . . 52 GLN HE22 . 16319 1 622 . 1 1 52 52 GLN HG2 H 1 2.3640 0.01 . 2 . . . . 52 GLN HG1 . 16319 1 623 . 1 1 52 52 GLN HG3 H 1 2.2500 0.01 . 2 . . . . 52 GLN HG2 . 16319 1 624 . 1 1 52 52 GLN C C 13 176.7920 0.05 . 1 . . . . 52 GLN C . 16319 1 625 . 1 1 52 52 GLN CA C 13 56.4540 0.05 . 1 . . . . 52 GLN CA . 16319 1 626 . 1 1 52 52 GLN CB C 13 31.7920 0.05 . 1 . . . . 52 GLN CB . 16319 1 627 . 1 1 52 52 GLN CD C 13 179.8140 0.05 . 1 . . . . 52 GLN CD . 16319 1 628 . 1 1 52 52 GLN CG C 13 34.7400 0.05 . 1 . . . . 52 GLN CG . 16319 1 629 . 1 1 52 52 GLN N N 15 115.9420 0.05 . 1 . . . . 52 GLN N . 16319 1 630 . 1 1 52 52 GLN NE2 N 15 111.0730 0.05 . 1 . . . . 52 GLN NE2 . 16319 1 631 . 1 1 53 53 GLY H H 1 8.0450 0.01 . 1 . . . . 53 GLY HN . 16319 1 632 . 1 1 53 53 GLY HA2 H 1 4.5680 0.01 . 2 . . . . 53 GLY HA1 . 16319 1 633 . 1 1 53 53 GLY HA3 H 1 4.0660 0.01 . 2 . . . . 53 GLY HA2 . 16319 1 634 . 1 1 53 53 GLY C C 13 173.7410 0.05 . 1 . . . . 53 GLY C . 16319 1 635 . 1 1 53 53 GLY CA C 13 44.5530 0.05 . 1 . . . . 53 GLY CA . 16319 1 636 . 1 1 53 53 GLY N N 15 110.3130 0.05 . 1 . . . . 53 GLY N . 16319 1 637 . 1 1 54 54 ILE H H 1 8.2810 0.01 . 1 . . . . 54 ILE HN . 16319 1 638 . 1 1 54 54 ILE HA H 1 3.5830 0.01 . 1 . . . . 54 ILE HA . 16319 1 639 . 1 1 54 54 ILE HB H 1 1.8620 0.01 . 1 . . . . 54 ILE HB . 16319 1 640 . 1 1 54 54 ILE HD11 H 1 0.8500 0.01 . 1 . . . . 54 ILE HD11 . 16319 1 641 . 1 1 54 54 ILE HD12 H 1 0.8500 0.01 . 1 . . . . 54 ILE HD11 . 16319 1 642 . 1 1 54 54 ILE HD13 H 1 0.8500 0.01 . 1 . . . . 54 ILE HD11 . 16319 1 643 . 1 1 54 54 ILE HG12 H 1 1.6520 0.01 . 2 . . . . 54 ILE HG11 . 16319 1 644 . 1 1 54 54 ILE HG13 H 1 1.1890 0.01 . 2 . . . . 54 ILE HG12 . 16319 1 645 . 1 1 54 54 ILE HG21 H 1 0.9430 0.01 . 1 . . . . 54 ILE HG21 . 16319 1 646 . 1 1 54 54 ILE HG22 H 1 0.9430 0.01 . 1 . . . . 54 ILE HG21 . 16319 1 647 . 1 1 54 54 ILE HG23 H 1 0.9430 0.01 . 1 . . . . 54 ILE HG21 . 16319 1 648 . 1 1 54 54 ILE C C 13 177.3130 0.05 . 1 . . . . 54 ILE C . 16319 1 649 . 1 1 54 54 ILE CA C 13 65.2530 0.05 . 1 . . . . 54 ILE CA . 16319 1 650 . 1 1 54 54 ILE CB C 13 38.4890 0.05 . 1 . . . . 54 ILE CB . 16319 1 651 . 1 1 54 54 ILE CD1 C 13 12.9400 0.05 . 1 . . . . 54 ILE CD1 . 16319 1 652 . 1 1 54 54 ILE CG1 C 13 28.8810 0.05 . 1 . . . . 54 ILE CG1 . 16319 1 653 . 1 1 54 54 ILE CG2 C 13 17.5610 0.05 . 1 . . . . 54 ILE CG2 . 16319 1 654 . 1 1 54 54 ILE N N 15 117.5790 0.05 . 1 . . . . 54 ILE N . 16319 1 655 . 1 1 55 55 LYS H H 1 8.3340 0.01 . 1 . . . . 55 LYS HN . 16319 1 656 . 1 1 55 55 LYS HA H 1 3.9550 0.01 . 1 . . . . 55 LYS HA . 16319 1 657 . 1 1 55 55 LYS HB2 H 1 1.8650 0.01 . 2 . . . . 55 LYS HB1 . 16319 1 658 . 1 1 55 55 LYS HB3 H 1 1.7940 0.01 . 2 . . . . 55 LYS HB2 . 16319 1 659 . 1 1 55 55 LYS HD2 H 1 1.6940 0.01 . 2 . . . . 55 LYS HD1 . 16319 1 660 . 1 1 55 55 LYS HE2 H 1 2.9690 0.01 . 2 . . . . 55 LYS HE1 . 16319 1 661 . 1 1 55 55 LYS HG2 H 1 1.5720 0.01 . 2 . . . . 55 LYS HG1 . 16319 1 662 . 1 1 55 55 LYS HG3 H 1 1.3960 0.01 . 2 . . . . 55 LYS HG2 . 16319 1 663 . 1 1 55 55 LYS C C 13 180.0260 0.05 . 1 . . . . 55 LYS C . 16319 1 664 . 1 1 55 55 LYS CA C 13 60.3430 0.05 . 1 . . . . 55 LYS CA . 16319 1 665 . 1 1 55 55 LYS CB C 13 31.6930 0.05 . 1 . . . . 55 LYS CB . 16319 1 666 . 1 1 55 55 LYS CD C 13 29.2840 0.05 . 1 . . . . 55 LYS CD . 16319 1 667 . 1 1 55 55 LYS CE C 13 41.9270 0.05 . 1 . . . . 55 LYS CE . 16319 1 668 . 1 1 55 55 LYS CG C 13 25.6090 0.05 . 1 . . . . 55 LYS CG . 16319 1 669 . 1 1 55 55 LYS N N 15 119.0390 0.05 . 1 . . . . 55 LYS N . 16319 1 670 . 1 1 56 56 LYS H H 1 7.9870 0.01 . 1 . . . . 56 LYS HN . 16319 1 671 . 1 1 56 56 LYS HA H 1 4.1300 0.01 . 1 . . . . 56 LYS HA . 16319 1 672 . 1 1 56 56 LYS HB2 H 1 1.6850 0.01 . 2 . . . . 56 LYS HB1 . 16319 1 673 . 1 1 56 56 LYS HD2 H 1 1.7730 0.01 . 2 . . . . 56 LYS HD1 . 16319 1 674 . 1 1 56 56 LYS HD3 H 1 1.6850 0.01 . 2 . . . . 56 LYS HD2 . 16319 1 675 . 1 1 56 56 LYS HE2 H 1 2.9380 0.01 . 2 . . . . 56 LYS HE1 . 16319 1 676 . 1 1 56 56 LYS HG2 H 1 1.4370 0.01 . 2 . . . . 56 LYS HG1 . 16319 1 677 . 1 1 56 56 LYS C C 13 178.6120 0.05 . 1 . . . . 56 LYS C . 16319 1 678 . 1 1 56 56 LYS CA C 13 57.7150 0.05 . 1 . . . . 56 LYS CA . 16319 1 679 . 1 1 56 56 LYS CB C 13 31.7140 0.05 . 1 . . . . 56 LYS CB . 16319 1 680 . 1 1 56 56 LYS CD C 13 28.1730 0.05 . 1 . . . . 56 LYS CD . 16319 1 681 . 1 1 56 56 LYS CE C 13 42.1450 0.05 . 1 . . . . 56 LYS CE . 16319 1 682 . 1 1 56 56 LYS CG C 13 25.2230 0.05 . 1 . . . . 56 LYS CG . 16319 1 683 . 1 1 56 56 LYS N N 15 119.1130 0.05 . 1 . . . . 56 LYS N . 16319 1 684 . 1 1 57 57 ALA H H 1 7.7350 0.01 . 1 . . . . 57 ALA HN . 16319 1 685 . 1 1 57 57 ALA HA H 1 3.9110 0.01 . 1 . . . . 57 ALA HA . 16319 1 686 . 1 1 57 57 ALA HB1 H 1 1.4550 0.01 . 1 . . . . 57 ALA HB1 . 16319 1 687 . 1 1 57 57 ALA HB2 H 1 1.4550 0.01 . 1 . . . . 57 ALA HB1 . 16319 1 688 . 1 1 57 57 ALA HB3 H 1 1.4550 0.01 . 1 . . . . 57 ALA HB1 . 16319 1 689 . 1 1 57 57 ALA C C 13 178.7130 0.05 . 1 . . . . 57 ALA C . 16319 1 690 . 1 1 57 57 ALA CA C 13 55.5680 0.05 . 1 . . . . 57 ALA CA . 16319 1 691 . 1 1 57 57 ALA CB C 13 19.9220 0.05 . 1 . . . . 57 ALA CB . 16319 1 692 . 1 1 57 57 ALA N N 15 122.3570 0.05 . 1 . . . . 57 ALA N . 16319 1 693 . 1 1 58 58 ILE H H 1 8.2570 0.01 . 1 . . . . 58 ILE HN . 16319 1 694 . 1 1 58 58 ILE HA H 1 3.4520 0.01 . 1 . . . . 58 ILE HA . 16319 1 695 . 1 1 58 58 ILE HB H 1 1.9790 0.01 . 1 . . . . 58 ILE HB . 16319 1 696 . 1 1 58 58 ILE HD11 H 1 0.9230 0.01 . 1 . . . . 58 ILE HD11 . 16319 1 697 . 1 1 58 58 ILE HD12 H 1 0.9230 0.01 . 1 . . . . 58 ILE HD11 . 16319 1 698 . 1 1 58 58 ILE HD13 H 1 0.9230 0.01 . 1 . . . . 58 ILE HD11 . 16319 1 699 . 1 1 58 58 ILE HG12 H 1 1.9810 0.01 . 2 . . . . 58 ILE HG11 . 16319 1 700 . 1 1 58 58 ILE HG13 H 1 0.7120 0.01 . 2 . . . . 58 ILE HG12 . 16319 1 701 . 1 1 58 58 ILE HG21 H 1 0.8890 0.01 . 1 . . . . 58 ILE HG21 . 16319 1 702 . 1 1 58 58 ILE HG22 H 1 0.8890 0.01 . 1 . . . . 58 ILE HG21 . 16319 1 703 . 1 1 58 58 ILE HG23 H 1 0.8890 0.01 . 1 . . . . 58 ILE HG21 . 16319 1 704 . 1 1 58 58 ILE C C 13 177.6880 0.05 . 1 . . . . 58 ILE C . 16319 1 705 . 1 1 58 58 ILE CA C 13 66.1570 0.05 . 1 . . . . 58 ILE CA . 16319 1 706 . 1 1 58 58 ILE CB C 13 38.3060 0.05 . 1 . . . . 58 ILE CB . 16319 1 707 . 1 1 58 58 ILE CD1 C 13 14.7200 0.05 . 1 . . . . 58 ILE CD1 . 16319 1 708 . 1 1 58 58 ILE CG1 C 13 30.6670 0.05 . 1 . . . . 58 ILE CG1 . 16319 1 709 . 1 1 58 58 ILE CG2 C 13 17.3650 0.05 . 1 . . . . 58 ILE CG2 . 16319 1 710 . 1 1 58 58 ILE N N 15 117.2790 0.05 . 1 . . . . 58 ILE N . 16319 1 711 . 1 1 59 59 GLN H H 1 7.7520 0.01 . 1 . . . . 59 GLN HN . 16319 1 712 . 1 1 59 59 GLN HA H 1 3.9160 0.01 . 1 . . . . 59 GLN HA . 16319 1 713 . 1 1 59 59 GLN HB2 H 1 2.2390 0.01 . 2 . . . . 59 GLN HB1 . 16319 1 714 . 1 1 59 59 GLN HB3 H 1 2.1530 0.01 . 2 . . . . 59 GLN HB2 . 16319 1 715 . 1 1 59 59 GLN HE21 H 1 7.4660 0.01 . 2 . . . . 59 GLN HE21 . 16319 1 716 . 1 1 59 59 GLN HE22 H 1 6.8530 0.01 . 2 . . . . 59 GLN HE22 . 16319 1 717 . 1 1 59 59 GLN HG2 H 1 2.5790 0.01 . 2 . . . . 59 GLN HG1 . 16319 1 718 . 1 1 59 59 GLN HG3 H 1 2.4130 0.01 . 2 . . . . 59 GLN HG2 . 16319 1 719 . 1 1 59 59 GLN C C 13 178.9760 0.05 . 1 . . . . 59 GLN C . 16319 1 720 . 1 1 59 59 GLN CA C 13 59.1120 0.05 . 1 . . . . 59 GLN CA . 16319 1 721 . 1 1 59 59 GLN CB C 13 28.1890 0.05 . 1 . . . . 59 GLN CB . 16319 1 722 . 1 1 59 59 GLN CD C 13 180.0890 0.05 . 1 . . . . 59 GLN CD . 16319 1 723 . 1 1 59 59 GLN CG C 13 34.0740 0.05 . 1 . . . . 59 GLN CG . 16319 1 724 . 1 1 59 59 GLN N N 15 117.5330 0.05 . 1 . . . . 59 GLN N . 16319 1 725 . 1 1 59 59 GLN NE2 N 15 111.2710 0.05 . 1 . . . . 59 GLN NE2 . 16319 1 726 . 1 1 60 60 LEU H H 1 8.0360 0.01 . 1 . . . . 60 LEU HN . 16319 1 727 . 1 1 60 60 LEU HA H 1 4.0600 0.01 . 1 . . . . 60 LEU HA . 16319 1 728 . 1 1 60 60 LEU HB2 H 1 1.8180 0.01 . 2 . . . . 60 LEU HB1 . 16319 1 729 . 1 1 60 60 LEU HB3 H 1 1.7140 0.01 . 2 . . . . 60 LEU HB2 . 16319 1 730 . 1 1 60 60 LEU HD11 H 1 0.8250 0.01 . 2 . . . . 60 LEU HD11 . 16319 1 731 . 1 1 60 60 LEU HD12 H 1 0.8250 0.01 . 2 . . . . 60 LEU HD11 . 16319 1 732 . 1 1 60 60 LEU HD13 H 1 0.8250 0.01 . 2 . . . . 60 LEU HD11 . 16319 1 733 . 1 1 60 60 LEU HD21 H 1 0.8040 0.01 . 2 . . . . 60 LEU HD21 . 16319 1 734 . 1 1 60 60 LEU HD22 H 1 0.8040 0.01 . 2 . . . . 60 LEU HD21 . 16319 1 735 . 1 1 60 60 LEU HD23 H 1 0.8040 0.01 . 2 . . . . 60 LEU HD21 . 16319 1 736 . 1 1 60 60 LEU HG H 1 1.6590 0.01 . 1 . . . . 60 LEU HG . 16319 1 737 . 1 1 60 60 LEU C C 13 178.9810 0.05 . 1 . . . . 60 LEU C . 16319 1 738 . 1 1 60 60 LEU CA C 13 58.1880 0.05 . 1 . . . . 60 LEU CA . 16319 1 739 . 1 1 60 60 LEU CB C 13 42.3240 0.05 . 1 . . . . 60 LEU CB . 16319 1 740 . 1 1 60 60 LEU CD1 C 13 25.2390 0.05 . 2 . . . . 60 LEU CD1 . 16319 1 741 . 1 1 60 60 LEU CD2 C 13 24.4340 0.05 . 2 . . . . 60 LEU CD2 . 16319 1 742 . 1 1 60 60 LEU CG C 13 27.0160 0.05 . 1 . . . . 60 LEU CG . 16319 1 743 . 1 1 60 60 LEU N N 15 121.5730 0.05 . 1 . . . . 60 LEU N . 16319 1 stop_ save_