data_15415 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15415 _Entry.Title ; Solution structure of Sso6901 from Sulfolobus solfataricus P2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-03 _Entry.Accession_date 2007-08-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Yingang Feng . . . 15415 2 Li Guo . . . 15415 3 Li Huang . . . 15415 4 Jinfeng Wang . . . 15415 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' . 15415 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SH3-like . 15415 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15415 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 15415 '15N chemical shifts' 51 15415 '1H chemical shifts' 434 15415 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 . . 2010-05-26 2007-08-03 update BMRB 'update entity name' 15415 1 . . 2008-10-29 2007-08-03 original author 'original release' 15415 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JTM 'BMRB Entry Tracking System' 15415 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15415 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18096617 _Citation.Full_citation . _Citation.Title 'Biochemical and structural characterization of Cren7, a novel chromatin protein conserved among Crenarchaea' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 36 _Citation.Journal_issue 4 _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 1129 _Citation.Page_last 1137 _Citation.Year 2008 _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 Li Guo . . . 15415 1 2 Yingang Feng . . . 15415 1 3 Zhenfeng Zhang . . . 15415 1 4 Hongwei Yao . . . 15415 1 5 Yuanming Luo . . . 15415 1 6 Jinfeng Wang . . . 15415 1 7 Li Huang . . . 15415 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15415 _Assembly.ID 1 _Assembly.Name monomer _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 Cren7 1 $entity A . yes native no no . . . 15415 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15415 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cren7 _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 ; MSSGKKPVKVKTPAGKEAEL VPEKVWALAPKGRKGVKIGL FKDPETGKYFRHKLPDDYPI ; _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6685.043 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JTM . "Solution Structure Of Sso6901 From Sulfolobus Solfataricus P2" . . . . . 100.00 60 100.00 100.00 5.45e-33 . . . . 15415 1 2 no PDB 3KXT . "Crystal Structure Of Sulfolobus Cren7-Dsdna Complex" . . . . . 91.67 56 100.00 100.00 3.02e-29 . . . . 15415 1 3 no PDB 3LWH . "Crystal Structure Of Cren7-dsdna Complex" . . . . . 100.00 60 100.00 100.00 5.45e-33 . . . . 15415 1 4 no PDB 3LWI . "Crystal Structure Of Cren7-dsdna Complex" . . . . . 100.00 60 100.00 100.00 5.45e-33 . . . . 15415 1 5 no PDB 4R56 . "Crystal Structure Of Sulfolobus Cren7-dsdna(gtgatcac) Complex" . . . . . 100.00 60 100.00 100.00 5.45e-33 . . . . 15415 1 6 no GB AAK41249 . "Conserved hypothetical protein [Sulfolobus solfataricus P2]" . . . . . 100.00 60 100.00 100.00 5.45e-33 . . . . 15415 1 7 no GB ACP35343 . "conserved hypothetical protein [Sulfolobus islandicus L.S.2.15]" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 8 no GB ACP38003 . "conserved hypothetical protein [Sulfolobus islandicus M.14.25]" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 9 no GB ACP45499 . "conserved hypothetical protein [Sulfolobus islandicus Y.G.57.14]" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 10 no GB ACP48703 . "conserved hypothetical protein [Sulfolobus islandicus Y.N.15.51]" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 11 no REF WP_009992425 . "chorismate-binding protein [Sulfolobus solfataricus]" . . . . . 100.00 60 100.00 100.00 5.45e-33 . . . . 15415 1 12 no REF WP_012711256 . "chorismate-binding protein [Sulfolobus islandicus]" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 13 no SP C3MPN0 . "RecName: Full=Chromatin protein Cren7" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 14 no SP C3MYM4 . "RecName: Full=Chromatin protein Cren7" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 15 no SP C3N5A6 . "RecName: Full=Chromatin protein Cren7" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 16 no SP C3NDW0 . "RecName: Full=Chromatin protein Cren7" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 17 no SP C3NHU3 . "RecName: Full=Chromatin protein Cren7" . . . . . 100.00 60 98.33 98.33 4.06e-32 . . . . 15415 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15415 1 2 . SER . 15415 1 3 . SER . 15415 1 4 . GLY . 15415 1 5 . LYS . 15415 1 6 . LYS . 15415 1 7 . PRO . 15415 1 8 . VAL . 15415 1 9 . LYS . 15415 1 10 . VAL . 15415 1 11 . LYS . 15415 1 12 . THR . 15415 1 13 . PRO . 15415 1 14 . ALA . 15415 1 15 . GLY . 15415 1 16 . LYS . 15415 1 17 . GLU . 15415 1 18 . ALA . 15415 1 19 . GLU . 15415 1 20 . LEU . 15415 1 21 . VAL . 15415 1 22 . PRO . 15415 1 23 . GLU . 15415 1 24 . LYS . 15415 1 25 . VAL . 15415 1 26 . TRP . 15415 1 27 . ALA . 15415 1 28 . LEU . 15415 1 29 . ALA . 15415 1 30 . PRO . 15415 1 31 . LYS . 15415 1 32 . GLY . 15415 1 33 . ARG . 15415 1 34 . LYS . 15415 1 35 . GLY . 15415 1 36 . VAL . 15415 1 37 . LYS . 15415 1 38 . ILE . 15415 1 39 . GLY . 15415 1 40 . LEU . 15415 1 41 . PHE . 15415 1 42 . LYS . 15415 1 43 . ASP . 15415 1 44 . PRO . 15415 1 45 . GLU . 15415 1 46 . THR . 15415 1 47 . GLY . 15415 1 48 . LYS . 15415 1 49 . TYR . 15415 1 50 . PHE . 15415 1 51 . ARG . 15415 1 52 . HIS . 15415 1 53 . LYS . 15415 1 54 . LEU . 15415 1 55 . PRO . 15415 1 56 . ASP . 15415 1 57 . ASP . 15415 1 58 . TYR . 15415 1 59 . PRO . 15415 1 60 . ILE . 15415 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15415 1 . SER 2 2 15415 1 . SER 3 3 15415 1 . GLY 4 4 15415 1 . LYS 5 5 15415 1 . LYS 6 6 15415 1 . PRO 7 7 15415 1 . VAL 8 8 15415 1 . LYS 9 9 15415 1 . VAL 10 10 15415 1 . LYS 11 11 15415 1 . THR 12 12 15415 1 . PRO 13 13 15415 1 . ALA 14 14 15415 1 . GLY 15 15 15415 1 . LYS 16 16 15415 1 . GLU 17 17 15415 1 . ALA 18 18 15415 1 . GLU 19 19 15415 1 . LEU 20 20 15415 1 . VAL 21 21 15415 1 . PRO 22 22 15415 1 . GLU 23 23 15415 1 . LYS 24 24 15415 1 . VAL 25 25 15415 1 . TRP 26 26 15415 1 . ALA 27 27 15415 1 . LEU 28 28 15415 1 . ALA 29 29 15415 1 . PRO 30 30 15415 1 . LYS 31 31 15415 1 . GLY 32 32 15415 1 . ARG 33 33 15415 1 . LYS 34 34 15415 1 . GLY 35 35 15415 1 . VAL 36 36 15415 1 . LYS 37 37 15415 1 . ILE 38 38 15415 1 . GLY 39 39 15415 1 . LEU 40 40 15415 1 . PHE 41 41 15415 1 . LYS 42 42 15415 1 . ASP 43 43 15415 1 . PRO 44 44 15415 1 . GLU 45 45 15415 1 . THR 46 46 15415 1 . GLY 47 47 15415 1 . LYS 48 48 15415 1 . TYR 49 49 15415 1 . PHE 50 50 15415 1 . ARG 51 51 15415 1 . HIS 52 52 15415 1 . LYS 53 53 15415 1 . LEU 54 54 15415 1 . PRO 55 55 15415 1 . ASP 56 56 15415 1 . ASP 57 57 15415 1 . TYR 58 58 15415 1 . PRO 59 59 15415 1 . ILE 60 60 15415 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 15415 _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 . 2287 organism . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Sulfolobus solfataricus . . . . . . . . . . . . . . . . . . . . . 15415 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 15415 _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 . . . . . . . . . . . . . . . . pET30a . . . . . . 15415 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1H _Sample.Sf_category sample _Sample.Sf_framecode sample_1H _Sample.Entry_ID 15415 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . . 1.0 2.0 mM . . . . 15415 1 2 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 15415 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15415 1 stop_ save_ save_sample_15N13C _Sample.Sf_category sample _Sample.Sf_framecode sample_15N13C _Sample.Entry_ID 15415 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . . 1.0 2.0 mM . . . . 15415 2 2 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 15415 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15415 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15415 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 15415 1 pH 6.0 . pH 15415 1 pressure 1 . atm 15415 1 temperature 310 . K 15415 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15415 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15415 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15415 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15415 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15415 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15415 2 'peak picking' 15415 2 processing 15415 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15415 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15415 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15415 3 'structure solution' 15415 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15415 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 15415 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 15415 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 15415 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1H isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 2 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1H isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1H isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 10 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 12 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 13 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15415 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 15415 _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 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15415 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15415 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15415 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 15415 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 15415 1 2 '2D DQF-COSY' . . . 15415 1 3 '2D 1H-1H NOESY' . . . 15415 1 4 '2D 1H-15N HSQC' . . . 15415 1 5 '2D 1H-13C HSQC' . . . 15415 1 6 '3D CBCA(CO)NH' . . . 15415 1 7 '3D HNCACB' . . . 15415 1 8 '3D HBHA(CO)NH' . . . 15415 1 9 '3D HNCO' . . . 15415 1 10 '3D HN(CA)CO' . . . 15415 1 11 '3D 1H-15N TOCSY' . . . 15415 1 12 '3D HCCH-COSY' . . . 15415 1 13 '3D CCH-TOCSY' . . . 15415 1 14 '3D 1H-15N NOESY' . . . 15415 1 15 '3D 1H-13C NOESY' . . . 15415 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Felix . . 15415 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 3 3 SER HA H 1 4.52 0.02 . 1 . . . . 3 SER HA . 15415 1 2 . 1 1 3 3 SER HB2 H 1 3.9 0.02 . 1 . . . . 3 SER HB2 . 15415 1 3 . 1 1 3 3 SER HB3 H 1 3.9 0.02 . 1 . . . . 3 SER HB3 . 15415 1 4 . 1 1 3 3 SER C C 13 174.7 0.2 . 1 . . . . 3 SER C . 15415 1 5 . 1 1 3 3 SER CA C 13 58.4 0.2 . 1 . . . . 3 SER CA . 15415 1 6 . 1 1 3 3 SER CB C 13 64 0.2 . 1 . . . . 3 SER CB . 15415 1 7 . 1 1 4 4 GLY H H 1 8.35 0.02 . 1 . . . . 4 GLY H . 15415 1 8 . 1 1 4 4 GLY HA2 H 1 3.91 0.02 . 2 . . . . 4 GLY HA2 . 15415 1 9 . 1 1 4 4 GLY HA3 H 1 4.05 0.02 . 2 . . . . 4 GLY HA3 . 15415 1 10 . 1 1 4 4 GLY C C 13 173.8 0.2 . 1 . . . . 4 GLY C . 15415 1 11 . 1 1 4 4 GLY CA C 13 45.3 0.2 . 1 . . . . 4 GLY CA . 15415 1 12 . 1 1 4 4 GLY N N 15 110.3 0.2 . 1 . . . . 4 GLY N . 15415 1 13 . 1 1 5 5 LYS H H 1 8.11 0.02 . 1 . . . . 5 LYS H . 15415 1 14 . 1 1 5 5 LYS HA H 1 4.31 0.02 . 1 . . . . 5 LYS HA . 15415 1 15 . 1 1 5 5 LYS HB2 H 1 1.65 0.02 . 2 . . . . 5 LYS HB2 . 15415 1 16 . 1 1 5 5 LYS HB3 H 1 1.91 0.02 . 2 . . . . 5 LYS HB3 . 15415 1 17 . 1 1 5 5 LYS HD2 H 1 1.71 0.02 . 1 . . . . 5 LYS HD2 . 15415 1 18 . 1 1 5 5 LYS HD3 H 1 1.71 0.02 . 1 . . . . 5 LYS HD3 . 15415 1 19 . 1 1 5 5 LYS HE2 H 1 2.96 0.02 . 1 . . . . 5 LYS HE2 . 15415 1 20 . 1 1 5 5 LYS HE3 H 1 2.96 0.02 . 1 . . . . 5 LYS HE3 . 15415 1 21 . 1 1 5 5 LYS HG2 H 1 1.45 0.02 . 1 . . . . 5 LYS HG2 . 15415 1 22 . 1 1 5 5 LYS HG3 H 1 1.45 0.02 . 1 . . . . 5 LYS HG3 . 15415 1 23 . 1 1 5 5 LYS C C 13 175.7 0.2 . 1 . . . . 5 LYS C . 15415 1 24 . 1 1 5 5 LYS CA C 13 56.1 0.2 . 1 . . . . 5 LYS CA . 15415 1 25 . 1 1 5 5 LYS CB C 13 33.2 0.2 . 1 . . . . 5 LYS CB . 15415 1 26 . 1 1 5 5 LYS CD C 13 29.1 0.2 . 1 . . . . 5 LYS CD . 15415 1 27 . 1 1 5 5 LYS CE C 13 42.3 0.2 . 1 . . . . 5 LYS CE . 15415 1 28 . 1 1 5 5 LYS CG C 13 25.1 0.2 . 1 . . . . 5 LYS CG . 15415 1 29 . 1 1 5 5 LYS N N 15 120.5 0.2 . 1 . . . . 5 LYS N . 15415 1 30 . 1 1 6 6 LYS H H 1 7.98 0.02 . 1 . . . . 6 LYS H . 15415 1 31 . 1 1 6 6 LYS HA H 1 4.73 0.02 . 1 . . . . 6 LYS HA . 15415 1 32 . 1 1 6 6 LYS HB2 H 1 1.8 0.02 . 1 . . . . 6 LYS HB2 . 15415 1 33 . 1 1 6 6 LYS HB3 H 1 1.8 0.02 . 1 . . . . 6 LYS HB3 . 15415 1 34 . 1 1 6 6 LYS HD2 H 1 1.57 0.02 . 1 . . . . 6 LYS HD2 . 15415 1 35 . 1 1 6 6 LYS HD3 H 1 1.57 0.02 . 1 . . . . 6 LYS HD3 . 15415 1 36 . 1 1 6 6 LYS HE2 H 1 2.96 0.02 . 1 . . . . 6 LYS HE2 . 15415 1 37 . 1 1 6 6 LYS HE3 H 1 2.96 0.02 . 1 . . . . 6 LYS HE3 . 15415 1 38 . 1 1 6 6 LYS HG2 H 1 1.49 0.02 . 1 . . . . 6 LYS HG2 . 15415 1 39 . 1 1 6 6 LYS HG3 H 1 1.49 0.02 . 1 . . . . 6 LYS HG3 . 15415 1 40 . 1 1 6 6 LYS C C 13 174.8 0.2 . 1 . . . . 6 LYS C . 15415 1 41 . 1 1 6 6 LYS CA C 13 54 0.2 . 1 . . . . 6 LYS CA . 15415 1 42 . 1 1 6 6 LYS CB C 13 33.3 0.2 . 1 . . . . 6 LYS CB . 15415 1 43 . 1 1 6 6 LYS CD C 13 29.3 0.2 . 1 . . . . 6 LYS CD . 15415 1 44 . 1 1 6 6 LYS CE C 13 42.3 0.2 . 1 . . . . 6 LYS CE . 15415 1 45 . 1 1 6 6 LYS CG C 13 25.1 0.2 . 1 . . . . 6 LYS CG . 15415 1 46 . 1 1 6 6 LYS N N 15 121.9 0.2 . 1 . . . . 6 LYS N . 15415 1 47 . 1 1 7 7 PRO HA H 1 4.61 0.02 . 1 . . . . 7 PRO HA . 15415 1 48 . 1 1 7 7 PRO HB2 H 1 1.73 0.02 . 2 . . . . 7 PRO HB2 . 15415 1 49 . 1 1 7 7 PRO HB3 H 1 2.03 0.02 . 2 . . . . 7 PRO HB3 . 15415 1 50 . 1 1 7 7 PRO HD2 H 1 3.69 0.02 . 1 . . . . 7 PRO HD1 . 15415 1 51 . 1 1 7 7 PRO HD3 H 1 3.96 0.02 . 1 . . . . 7 PRO HD2 . 15415 1 52 . 1 1 7 7 PRO HG2 H 1 2.06 0.02 . 1 . . . . 7 PRO HG2 . 15415 1 53 . 1 1 7 7 PRO HG3 H 1 2.06 0.02 . 1 . . . . 7 PRO HG3 . 15415 1 54 . 1 1 7 7 PRO C C 13 175.9 0.2 . 1 . . . . 7 PRO C . 15415 1 55 . 1 1 7 7 PRO CA C 13 62.5 0.2 . 1 . . . . 7 PRO CA . 15415 1 56 . 1 1 7 7 PRO CB C 13 32.6 0.2 . 1 . . . . 7 PRO CB . 15415 1 57 . 1 1 7 7 PRO CD C 13 50.9 0.2 . 1 . . . . 7 PRO CD . 15415 1 58 . 1 1 7 7 PRO CG C 13 27.3 0.2 . 1 . . . . 7 PRO CG . 15415 1 59 . 1 1 8 8 VAL H H 1 9.04 0.02 . 1 . . . . 8 VAL H . 15415 1 60 . 1 1 8 8 VAL HA H 1 4.43 0.02 . 1 . . . . 8 VAL HA . 15415 1 61 . 1 1 8 8 VAL HB H 1 2.09 0.02 . 1 . . . . 8 VAL HB . 15415 1 62 . 1 1 8 8 VAL HG11 H 1 0.99 0.02 . 2 . . . . 8 VAL HG1 . 15415 1 63 . 1 1 8 8 VAL HG12 H 1 0.99 0.02 . 2 . . . . 8 VAL HG1 . 15415 1 64 . 1 1 8 8 VAL HG13 H 1 0.99 0.02 . 2 . . . . 8 VAL HG1 . 15415 1 65 . 1 1 8 8 VAL HG21 H 1 1.03 0.02 . 2 . . . . 8 VAL HG2 . 15415 1 66 . 1 1 8 8 VAL HG22 H 1 1.03 0.02 . 2 . . . . 8 VAL HG2 . 15415 1 67 . 1 1 8 8 VAL HG23 H 1 1.03 0.02 . 2 . . . . 8 VAL HG2 . 15415 1 68 . 1 1 8 8 VAL C C 13 173.9 0.2 . 1 . . . . 8 VAL C . 15415 1 69 . 1 1 8 8 VAL CA C 13 60.2 0.2 . 1 . . . . 8 VAL CA . 15415 1 70 . 1 1 8 8 VAL CB C 13 35.6 0.2 . 1 . . . . 8 VAL CB . 15415 1 71 . 1 1 8 8 VAL CG1 C 13 22 0.2 . 2 . . . . 8 VAL CG1 . 15415 1 72 . 1 1 8 8 VAL CG2 C 13 22 0.2 . 2 . . . . 8 VAL CG2 . 15415 1 73 . 1 1 8 8 VAL N N 15 119.9 0.2 . 1 . . . . 8 VAL N . 15415 1 74 . 1 1 9 9 LYS H H 1 8.39 0.02 . 1 . . . . 9 LYS H . 15415 1 75 . 1 1 9 9 LYS HA H 1 4.61 0.02 . 1 . . . . 9 LYS HA . 15415 1 76 . 1 1 9 9 LYS HB2 H 1 1.73 0.02 . 2 . . . . 9 LYS HB2 . 15415 1 77 . 1 1 9 9 LYS HB3 H 1 1.69 0.02 . 2 . . . . 9 LYS HB3 . 15415 1 78 . 1 1 9 9 LYS HD2 H 1 1.64 0.02 . 1 . . . . 9 LYS HD2 . 15415 1 79 . 1 1 9 9 LYS HD3 H 1 1.64 0.02 . 1 . . . . 9 LYS HD3 . 15415 1 80 . 1 1 9 9 LYS HE2 H 1 2.91 0.02 . 1 . . . . 9 LYS HE2 . 15415 1 81 . 1 1 9 9 LYS HE3 H 1 2.91 0.02 . 1 . . . . 9 LYS HE3 . 15415 1 82 . 1 1 9 9 LYS HG2 H 1 1.32 0.02 . 2 . . . . 9 LYS HG2 . 15415 1 83 . 1 1 9 9 LYS HG3 H 1 1.22 0.02 . 2 . . . . 9 LYS HG3 . 15415 1 84 . 1 1 9 9 LYS C C 13 175.5 0.2 . 1 . . . . 9 LYS C . 15415 1 85 . 1 1 9 9 LYS CA C 13 56.8 0.2 . 1 . . . . 9 LYS CA . 15415 1 86 . 1 1 9 9 LYS CB C 13 31.7 0.2 . 1 . . . . 9 LYS CB . 15415 1 87 . 1 1 9 9 LYS CD C 13 29.1 0.2 . 1 . . . . 9 LYS CD . 15415 1 88 . 1 1 9 9 LYS CE C 13 41.9 0.2 . 1 . . . . 9 LYS CE . 15415 1 89 . 1 1 9 9 LYS CG C 13 25.1 0.2 . 1 . . . . 9 LYS CG . 15415 1 90 . 1 1 9 9 LYS N N 15 125.8 0.2 . 1 . . . . 9 LYS N . 15415 1 91 . 1 1 10 10 VAL H H 1 8.74 0.02 . 1 . . . . 10 VAL H . 15415 1 92 . 1 1 10 10 VAL HA H 1 4.04 0.02 . 1 . . . . 10 VAL HA . 15415 1 93 . 1 1 10 10 VAL HB H 1 0.73 0.02 . 1 . . . . 10 VAL HB . 15415 1 94 . 1 1 10 10 VAL HG11 H 1 0.15 0.02 . 2 . . . . 10 VAL HG1 . 15415 1 95 . 1 1 10 10 VAL HG12 H 1 0.15 0.02 . 2 . . . . 10 VAL HG1 . 15415 1 96 . 1 1 10 10 VAL HG13 H 1 0.15 0.02 . 2 . . . . 10 VAL HG1 . 15415 1 97 . 1 1 10 10 VAL HG21 H 1 0 0.02 . 2 . . . . 10 VAL HG2 . 15415 1 98 . 1 1 10 10 VAL HG22 H 1 0 0.02 . 2 . . . . 10 VAL HG2 . 15415 1 99 . 1 1 10 10 VAL HG23 H 1 0 0.02 . 2 . . . . 10 VAL HG2 . 15415 1 100 . 1 1 10 10 VAL C C 13 173.6 0.2 . 1 . . . . 10 VAL C . 15415 1 101 . 1 1 10 10 VAL CA C 13 58.6 0.2 . 1 . . . . 10 VAL CA . 15415 1 102 . 1 1 10 10 VAL CB C 13 35.2 0.2 . 1 . . . . 10 VAL CB . 15415 1 103 . 1 1 10 10 VAL CG1 C 13 17.7 0.2 . 2 . . . . 10 VAL CG1 . 15415 1 104 . 1 1 10 10 VAL CG2 C 13 21.4 0.2 . 2 . . . . 10 VAL CG2 . 15415 1 105 . 1 1 10 10 VAL N N 15 120.7 0.2 . 1 . . . . 10 VAL N . 15415 1 106 . 1 1 11 11 LYS H H 1 7.32 0.02 . 1 . . . . 11 LYS H . 15415 1 107 . 1 1 11 11 LYS HA H 1 5 0.02 . 1 . . . . 11 LYS HA . 15415 1 108 . 1 1 11 11 LYS HB2 H 1 1.76 0.02 . 1 . . . . 11 LYS HB2 . 15415 1 109 . 1 1 11 11 LYS HB3 H 1 1.76 0.02 . 1 . . . . 11 LYS HB3 . 15415 1 110 . 1 1 11 11 LYS HD2 H 1 1.62 0.02 . 1 . . . . 11 LYS HD2 . 15415 1 111 . 1 1 11 11 LYS HD3 H 1 1.62 0.02 . 1 . . . . 11 LYS HD3 . 15415 1 112 . 1 1 11 11 LYS HE2 H 1 2.94 0.02 . 1 . . . . 11 LYS HE2 . 15415 1 113 . 1 1 11 11 LYS HE3 H 1 2.94 0.02 . 1 . . . . 11 LYS HE3 . 15415 1 114 . 1 1 11 11 LYS HG2 H 1 1.35 0.02 . 1 . . . . 11 LYS HG2 . 15415 1 115 . 1 1 11 11 LYS HG3 H 1 1.35 0.02 . 1 . . . . 11 LYS HG3 . 15415 1 116 . 1 1 11 11 LYS C C 13 176.6 0.2 . 1 . . . . 11 LYS C . 15415 1 117 . 1 1 11 11 LYS CA C 13 54.8 0.2 . 1 . . . . 11 LYS CA . 15415 1 118 . 1 1 11 11 LYS CB C 13 33.7 0.2 . 1 . . . . 11 LYS CB . 15415 1 119 . 1 1 11 11 LYS CD C 13 29.1 0.2 . 1 . . . . 11 LYS CD . 15415 1 120 . 1 1 11 11 LYS CE C 13 41.9 0.2 . 1 . . . . 11 LYS CE . 15415 1 121 . 1 1 11 11 LYS CG C 13 24.9 0.2 . 1 . . . . 11 LYS CG . 15415 1 122 . 1 1 11 11 LYS N N 15 120.6 0.2 . 1 . . . . 11 LYS N . 15415 1 123 . 1 1 12 12 THR H H 1 8.95 0.02 . 1 . . . . 12 THR H . 15415 1 124 . 1 1 12 12 THR HA H 1 3.7 0.02 . 1 . . . . 12 THR HA . 15415 1 125 . 1 1 12 12 THR HB H 1 4.29 0.02 . 1 . . . . 12 THR HB . 15415 1 126 . 1 1 12 12 THR HG21 H 1 1.12 0.02 . 1 . . . . 12 THR HG2 . 15415 1 127 . 1 1 12 12 THR HG22 H 1 1.12 0.02 . 1 . . . . 12 THR HG2 . 15415 1 128 . 1 1 12 12 THR HG23 H 1 1.12 0.02 . 1 . . . . 12 THR HG2 . 15415 1 129 . 1 1 12 12 THR C C 13 175.1 0.2 . 1 . . . . 12 THR C . 15415 1 130 . 1 1 12 12 THR CA C 13 59.7 0.2 . 1 . . . . 12 THR CA . 15415 1 131 . 1 1 12 12 THR CB C 13 67.7 0.2 . 1 . . . . 12 THR CB . 15415 1 132 . 1 1 12 12 THR CG2 C 13 21.5 0.2 . 1 . . . . 12 THR CG2 . 15415 1 133 . 1 1 12 12 THR N N 15 115.4 0.2 . 1 . . . . 12 THR N . 15415 1 134 . 1 1 13 13 PRO HA H 1 4.18 0.02 . 1 . . . . 13 PRO HA . 15415 1 135 . 1 1 13 13 PRO HB2 H 1 1.76 0.02 . 2 . . . . 13 PRO HB2 . 15415 1 136 . 1 1 13 13 PRO HB3 H 1 2.36 0.02 . 2 . . . . 13 PRO HB3 . 15415 1 137 . 1 1 13 13 PRO HD2 H 1 3.16 0.02 . 1 . . . . 13 PRO HD1 . 15415 1 138 . 1 1 13 13 PRO HD3 H 1 1.76 0.02 . 1 . . . . 13 PRO HD2 . 15415 1 139 . 1 1 13 13 PRO HG2 H 1 1.62 0.02 . 2 . . . . 13 PRO HG2 . 15415 1 140 . 1 1 13 13 PRO HG3 H 1 1.87 0.02 . 2 . . . . 13 PRO HG3 . 15415 1 141 . 1 1 13 13 PRO C C 13 177 0.2 . 1 . . . . 13 PRO C . 15415 1 142 . 1 1 13 13 PRO CA C 13 65 0.2 . 1 . . . . 13 PRO CA . 15415 1 143 . 1 1 13 13 PRO CB C 13 31.4 0.2 . 1 . . . . 13 PRO CB . 15415 1 144 . 1 1 13 13 PRO CD C 13 49.7 0.2 . 1 . . . . 13 PRO CD . 15415 1 145 . 1 1 13 13 PRO CG C 13 28.2 0.2 . 1 . . . . 13 PRO CG . 15415 1 146 . 1 1 14 14 ALA H H 1 7.24 0.02 . 1 . . . . 14 ALA H . 15415 1 147 . 1 1 14 14 ALA HA H 1 4.31 0.02 . 1 . . . . 14 ALA HA . 15415 1 148 . 1 1 14 14 ALA HB1 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 15415 1 149 . 1 1 14 14 ALA HB2 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 15415 1 150 . 1 1 14 14 ALA HB3 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 15415 1 151 . 1 1 14 14 ALA C C 13 177.9 0.2 . 1 . . . . 14 ALA C . 15415 1 152 . 1 1 14 14 ALA CA C 13 52.2 0.2 . 1 . . . . 14 ALA CA . 15415 1 153 . 1 1 14 14 ALA CB C 13 19 0.2 . 1 . . . . 14 ALA CB . 15415 1 154 . 1 1 14 14 ALA N N 15 116.1 0.2 . 1 . . . . 14 ALA N . 15415 1 155 . 1 1 15 15 GLY H H 1 8.31 0.02 . 1 . . . . 15 GLY H . 15415 1 156 . 1 1 15 15 GLY HA2 H 1 3.52 0.02 . 2 . . . . 15 GLY HA2 . 15415 1 157 . 1 1 15 15 GLY HA3 H 1 4.22 0.02 . 2 . . . . 15 GLY HA3 . 15415 1 158 . 1 1 15 15 GLY C C 13 174 0.2 . 1 . . . . 15 GLY C . 15415 1 159 . 1 1 15 15 GLY CA C 13 45.3 0.2 . 1 . . . . 15 GLY CA . 15415 1 160 . 1 1 15 15 GLY N N 15 107 0.2 . 1 . . . . 15 GLY N . 15415 1 161 . 1 1 16 16 LYS H H 1 6.96 0.02 . 1 . . . . 16 LYS H . 15415 1 162 . 1 1 16 16 LYS HA H 1 4.49 0.02 . 1 . . . . 16 LYS HA . 15415 1 163 . 1 1 16 16 LYS HB2 H 1 1.6 0.02 . 2 . . . . 16 LYS HB2 . 15415 1 164 . 1 1 16 16 LYS HB3 H 1 1.8 0.02 . 2 . . . . 16 LYS HB3 . 15415 1 165 . 1 1 16 16 LYS HD2 H 1 1.61 0.02 . 1 . . . . 16 LYS HD2 . 15415 1 166 . 1 1 16 16 LYS HD3 H 1 1.61 0.02 . 1 . . . . 16 LYS HD3 . 15415 1 167 . 1 1 16 16 LYS HE2 H 1 2.94 0.02 . 1 . . . . 16 LYS HE2 . 15415 1 168 . 1 1 16 16 LYS HE3 H 1 2.94 0.02 . 1 . . . . 16 LYS HE3 . 15415 1 169 . 1 1 16 16 LYS HG2 H 1 1.24 0.02 . 2 . . . . 16 LYS HG2 . 15415 1 170 . 1 1 16 16 LYS HG3 H 1 1.31 0.02 . 2 . . . . 16 LYS HG3 . 15415 1 171 . 1 1 16 16 LYS C C 13 175.4 0.2 . 1 . . . . 16 LYS C . 15415 1 172 . 1 1 16 16 LYS CA C 13 54.8 0.2 . 1 . . . . 16 LYS CA . 15415 1 173 . 1 1 16 16 LYS CB C 13 33.9 0.2 . 1 . . . . 16 LYS CB . 15415 1 174 . 1 1 16 16 LYS CD C 13 28.9 0.2 . 1 . . . . 16 LYS CD . 15415 1 175 . 1 1 16 16 LYS CE C 13 42.2 0.2 . 1 . . . . 16 LYS CE . 15415 1 176 . 1 1 16 16 LYS CG C 13 25.1 0.2 . 1 . . . . 16 LYS CG . 15415 1 177 . 1 1 16 16 LYS N N 15 119.2 0.2 . 1 . . . . 16 LYS N . 15415 1 178 . 1 1 17 17 GLU H H 1 8.52 0.02 . 1 . . . . 17 GLU H . 15415 1 179 . 1 1 17 17 GLU HA H 1 4.99 0.02 . 1 . . . . 17 GLU HA . 15415 1 180 . 1 1 17 17 GLU HB2 H 1 1.87 0.02 . 1 . . . . 17 GLU HB2 . 15415 1 181 . 1 1 17 17 GLU HB3 H 1 1.87 0.02 . 1 . . . . 17 GLU HB3 . 15415 1 182 . 1 1 17 17 GLU HG2 H 1 2.2 0.02 . 2 . . . . 17 GLU HG2 . 15415 1 183 . 1 1 17 17 GLU HG3 H 1 2.02 0.02 . 2 . . . . 17 GLU HG3 . 15415 1 184 . 1 1 17 17 GLU C C 13 175.8 0.2 . 1 . . . . 17 GLU C . 15415 1 185 . 1 1 17 17 GLU CA C 13 55.9 0.2 . 1 . . . . 17 GLU CA . 15415 1 186 . 1 1 17 17 GLU CB C 13 30.9 0.2 . 1 . . . . 17 GLU CB . 15415 1 187 . 1 1 17 17 GLU CG C 13 37.2 0.2 . 1 . . . . 17 GLU CG . 15415 1 188 . 1 1 17 17 GLU N N 15 122.2 0.2 . 1 . . . . 17 GLU N . 15415 1 189 . 1 1 18 18 ALA H H 1 8.87 0.02 . 1 . . . . 18 ALA H . 15415 1 190 . 1 1 18 18 ALA HA H 1 4.62 0.02 . 1 . . . . 18 ALA HA . 15415 1 191 . 1 1 18 18 ALA HB1 H 1 1.16 0.02 . 1 . . . . 18 ALA HB . 15415 1 192 . 1 1 18 18 ALA HB2 H 1 1.16 0.02 . 1 . . . . 18 ALA HB . 15415 1 193 . 1 1 18 18 ALA HB3 H 1 1.16 0.02 . 1 . . . . 18 ALA HB . 15415 1 194 . 1 1 18 18 ALA C C 13 174.6 0.2 . 1 . . . . 18 ALA C . 15415 1 195 . 1 1 18 18 ALA CA C 13 51 0.2 . 1 . . . . 18 ALA CA . 15415 1 196 . 1 1 18 18 ALA CB C 13 22.3 0.2 . 1 . . . . 18 ALA CB . 15415 1 197 . 1 1 18 18 ALA N N 15 127.2 0.2 . 1 . . . . 18 ALA N . 15415 1 198 . 1 1 19 19 GLU H H 1 8.45 0.02 . 1 . . . . 19 GLU H . 15415 1 199 . 1 1 19 19 GLU HA H 1 4.83 0.02 . 1 . . . . 19 GLU HA . 15415 1 200 . 1 1 19 19 GLU HB2 H 1 1.83 0.02 . 1 . . . . 19 GLU HB2 . 15415 1 201 . 1 1 19 19 GLU HB3 H 1 1.83 0.02 . 1 . . . . 19 GLU HB3 . 15415 1 202 . 1 1 19 19 GLU HG2 H 1 1.91 0.02 . 2 . . . . 19 GLU HG2 . 15415 1 203 . 1 1 19 19 GLU HG3 H 1 2.02 0.02 . 2 . . . . 19 GLU HG3 . 15415 1 204 . 1 1 19 19 GLU C C 13 175.2 0.2 . 1 . . . . 19 GLU C . 15415 1 205 . 1 1 19 19 GLU CA C 13 55.4 0.2 . 1 . . . . 19 GLU CA . 15415 1 206 . 1 1 19 19 GLU CB C 13 30.1 0.2 . 1 . . . . 19 GLU CB . 15415 1 207 . 1 1 19 19 GLU CG C 13 37.2 0.2 . 1 . . . . 19 GLU CG . 15415 1 208 . 1 1 19 19 GLU N N 15 121.7 0.2 . 1 . . . . 19 GLU N . 15415 1 209 . 1 1 20 20 LEU H H 1 8.47 0.02 . 1 . . . . 20 LEU H . 15415 1 210 . 1 1 20 20 LEU HA H 1 5.03 0.02 . 1 . . . . 20 LEU HA . 15415 1 211 . 1 1 20 20 LEU HB2 H 1 1.66 0.02 . 2 . . . . 20 LEU HB2 . 15415 1 212 . 1 1 20 20 LEU HB3 H 1 1.76 0.02 . 2 . . . . 20 LEU HB3 . 15415 1 213 . 1 1 20 20 LEU HD11 H 1 1.05 0.02 . 2 . . . . 20 LEU HD1 . 15415 1 214 . 1 1 20 20 LEU HD12 H 1 1.05 0.02 . 2 . . . . 20 LEU HD1 . 15415 1 215 . 1 1 20 20 LEU HD13 H 1 1.05 0.02 . 2 . . . . 20 LEU HD1 . 15415 1 216 . 1 1 20 20 LEU HD21 H 1 0.92 0.02 . 2 . . . . 20 LEU HD2 . 15415 1 217 . 1 1 20 20 LEU HD22 H 1 0.92 0.02 . 2 . . . . 20 LEU HD2 . 15415 1 218 . 1 1 20 20 LEU HD23 H 1 0.92 0.02 . 2 . . . . 20 LEU HD2 . 15415 1 219 . 1 1 20 20 LEU HG H 1 1.44 0.02 . 1 . . . . 20 LEU HG . 15415 1 220 . 1 1 20 20 LEU C C 13 175.6 0.2 . 1 . . . . 20 LEU C . 15415 1 221 . 1 1 20 20 LEU CA C 13 53 0.2 . 1 . . . . 20 LEU CA . 15415 1 222 . 1 1 20 20 LEU CB C 13 47.6 0.2 . 1 . . . . 20 LEU CB . 15415 1 223 . 1 1 20 20 LEU CD1 C 13 22.8 0.2 . 2 . . . . 20 LEU CD1 . 15415 1 224 . 1 1 20 20 LEU CD2 C 13 25.6 0.2 . 2 . . . . 20 LEU CD2 . 15415 1 225 . 1 1 20 20 LEU CG C 13 26.6 0.2 . 1 . . . . 20 LEU CG . 15415 1 226 . 1 1 20 20 LEU N N 15 124.6 0.2 . 1 . . . . 20 LEU N . 15415 1 227 . 1 1 21 21 VAL H H 1 8.88 0.02 . 1 . . . . 21 VAL H . 15415 1 228 . 1 1 21 21 VAL HA H 1 4.54 0.02 . 1 . . . . 21 VAL HA . 15415 1 229 . 1 1 21 21 VAL HB H 1 1.99 0.02 . 1 . . . . 21 VAL HB . 15415 1 230 . 1 1 21 21 VAL HG11 H 1 0.9 0.02 . 2 . . . . 21 VAL HG1 . 15415 1 231 . 1 1 21 21 VAL HG12 H 1 0.9 0.02 . 2 . . . . 21 VAL HG1 . 15415 1 232 . 1 1 21 21 VAL HG13 H 1 0.9 0.02 . 2 . . . . 21 VAL HG1 . 15415 1 233 . 1 1 21 21 VAL HG21 H 1 0.9 0.02 . 2 . . . . 21 VAL HG2 . 15415 1 234 . 1 1 21 21 VAL HG22 H 1 0.9 0.02 . 2 . . . . 21 VAL HG2 . 15415 1 235 . 1 1 21 21 VAL HG23 H 1 0.9 0.02 . 2 . . . . 21 VAL HG2 . 15415 1 236 . 1 1 21 21 VAL C C 13 175 0.2 . 1 . . . . 21 VAL C . 15415 1 237 . 1 1 21 21 VAL CA C 13 59.4 0.2 . 1 . . . . 21 VAL CA . 15415 1 238 . 1 1 21 21 VAL CB C 13 33.3 0.2 . 1 . . . . 21 VAL CB . 15415 1 239 . 1 1 21 21 VAL CG1 C 13 21.4 0.2 . 2 . . . . 21 VAL CG1 . 15415 1 240 . 1 1 21 21 VAL CG2 C 13 21.4 0.2 . 2 . . . . 21 VAL CG2 . 15415 1 241 . 1 1 21 21 VAL N N 15 123.2 0.2 . 1 . . . . 21 VAL N . 15415 1 242 . 1 1 22 22 PRO HA H 1 3.52 0.02 . 1 . . . . 22 PRO HA . 15415 1 243 . 1 1 22 22 PRO HB2 H 1 0.64 0.02 . 2 . . . . 22 PRO HB2 . 15415 1 244 . 1 1 22 22 PRO HB3 H 1 1.28 0.02 . 2 . . . . 22 PRO HB3 . 15415 1 245 . 1 1 22 22 PRO HD2 H 1 3.82 0.02 . 1 . . . . 22 PRO HD1 . 15415 1 246 . 1 1 22 22 PRO HD3 H 1 3.78 0.02 . 1 . . . . 22 PRO HD2 . 15415 1 247 . 1 1 22 22 PRO HG2 H 1 1.46 0.02 . 2 . . . . 22 PRO HG2 . 15415 1 248 . 1 1 22 22 PRO HG3 H 1 1.78 0.02 . 2 . . . . 22 PRO HG3 . 15415 1 249 . 1 1 22 22 PRO C C 13 176.3 0.2 . 1 . . . . 22 PRO C . 15415 1 250 . 1 1 22 22 PRO CA C 13 62.6 0.2 . 1 . . . . 22 PRO CA . 15415 1 251 . 1 1 22 22 PRO CB C 13 30.8 0.2 . 1 . . . . 22 PRO CB . 15415 1 252 . 1 1 22 22 PRO CD C 13 50.9 0.2 . 1 . . . . 22 PRO CD . 15415 1 253 . 1 1 22 22 PRO CG C 13 26.9 0.2 . 1 . . . . 22 PRO CG . 15415 1 254 . 1 1 23 23 GLU H H 1 8.83 0.02 . 1 . . . . 23 GLU H . 15415 1 255 . 1 1 23 23 GLU HA H 1 4.07 0.02 . 1 . . . . 23 GLU HA . 15415 1 256 . 1 1 23 23 GLU HB2 H 1 1.75 0.02 . 2 . . . . 23 GLU HB2 . 15415 1 257 . 1 1 23 23 GLU HB3 H 1 2.06 0.02 . 2 . . . . 23 GLU HB3 . 15415 1 258 . 1 1 23 23 GLU HG2 H 1 2.28 0.02 . 2 . . . . 23 GLU HG2 . 15415 1 259 . 1 1 23 23 GLU HG3 H 1 2.34 0.02 . 2 . . . . 23 GLU HG3 . 15415 1 260 . 1 1 23 23 GLU C C 13 176.7 0.2 . 1 . . . . 23 GLU C . 15415 1 261 . 1 1 23 23 GLU CA C 13 57.7 0.2 . 1 . . . . 23 GLU CA . 15415 1 262 . 1 1 23 23 GLU CB C 13 30.9 0.2 . 1 . . . . 23 GLU CB . 15415 1 263 . 1 1 23 23 GLU CG C 13 36.7 0.2 . 1 . . . . 23 GLU CG . 15415 1 264 . 1 1 23 23 GLU N N 15 121.2 0.2 . 1 . . . . 23 GLU N . 15415 1 265 . 1 1 24 24 LYS H H 1 7.12 0.02 . 1 . . . . 24 LYS H . 15415 1 266 . 1 1 24 24 LYS HA H 1 4.48 0.02 . 1 . . . . 24 LYS HA . 15415 1 267 . 1 1 24 24 LYS HB2 H 1 1.51 0.02 . 1 . . . . 24 LYS HB2 . 15415 1 268 . 1 1 24 24 LYS HB3 H 1 1.51 0.02 . 1 . . . . 24 LYS HB3 . 15415 1 269 . 1 1 24 24 LYS HD2 H 1 1.53 0.02 . 1 . . . . 24 LYS HD2 . 15415 1 270 . 1 1 24 24 LYS HD3 H 1 1.53 0.02 . 1 . . . . 24 LYS HD3 . 15415 1 271 . 1 1 24 24 LYS HE2 H 1 2.77 0.02 . 1 . . . . 24 LYS HE2 . 15415 1 272 . 1 1 24 24 LYS HE3 H 1 2.77 0.02 . 1 . . . . 24 LYS HE3 . 15415 1 273 . 1 1 24 24 LYS HG2 H 1 1.22 0.02 . 1 . . . . 24 LYS HG2 . 15415 1 274 . 1 1 24 24 LYS HG3 H 1 1.22 0.02 . 1 . . . . 24 LYS HG3 . 15415 1 275 . 1 1 24 24 LYS C C 13 173.9 0.2 . 1 . . . . 24 LYS C . 15415 1 276 . 1 1 24 24 LYS CA C 13 55 0.2 . 1 . . . . 24 LYS CA . 15415 1 277 . 1 1 24 24 LYS CB C 13 36.8 0.2 . 1 . . . . 24 LYS CB . 15415 1 278 . 1 1 24 24 LYS CD C 13 29.2 0.2 . 1 . . . . 24 LYS CD . 15415 1 279 . 1 1 24 24 LYS CE C 13 42 0.2 . 1 . . . . 24 LYS CE . 15415 1 280 . 1 1 24 24 LYS CG C 13 24.9 0.2 . 1 . . . . 24 LYS CG . 15415 1 281 . 1 1 24 24 LYS N N 15 114.6 0.2 . 1 . . . . 24 LYS N . 15415 1 282 . 1 1 25 25 VAL H H 1 8.24 0.02 . 1 . . . . 25 VAL H . 15415 1 283 . 1 1 25 25 VAL HA H 1 5.03 0.02 . 1 . . . . 25 VAL HA . 15415 1 284 . 1 1 25 25 VAL HB H 1 1.88 0.02 . 1 . . . . 25 VAL HB . 15415 1 285 . 1 1 25 25 VAL HG11 H 1 0.74 0.02 . 2 . . . . 25 VAL HG1 . 15415 1 286 . 1 1 25 25 VAL HG12 H 1 0.74 0.02 . 2 . . . . 25 VAL HG1 . 15415 1 287 . 1 1 25 25 VAL HG13 H 1 0.74 0.02 . 2 . . . . 25 VAL HG1 . 15415 1 288 . 1 1 25 25 VAL HG21 H 1 0.89 0.02 . 2 . . . . 25 VAL HG2 . 15415 1 289 . 1 1 25 25 VAL HG22 H 1 0.89 0.02 . 2 . . . . 25 VAL HG2 . 15415 1 290 . 1 1 25 25 VAL HG23 H 1 0.89 0.02 . 2 . . . . 25 VAL HG2 . 15415 1 291 . 1 1 25 25 VAL C C 13 174.5 0.2 . 1 . . . . 25 VAL C . 15415 1 292 . 1 1 25 25 VAL CA C 13 60.2 0.2 . 1 . . . . 25 VAL CA . 15415 1 293 . 1 1 25 25 VAL CB C 13 35.4 0.2 . 1 . . . . 25 VAL CB . 15415 1 294 . 1 1 25 25 VAL CG1 C 13 22.9 0.2 . 2 . . . . 25 VAL CG1 . 15415 1 295 . 1 1 25 25 VAL CG2 C 13 20.4 0.2 . 2 . . . . 25 VAL CG2 . 15415 1 296 . 1 1 25 25 VAL N N 15 117.4 0.2 . 1 . . . . 25 VAL N . 15415 1 297 . 1 1 26 26 TRP H H 1 9.13 0.02 . 1 . . . . 26 TRP H . 15415 1 298 . 1 1 26 26 TRP HA H 1 4.88 0.02 . 1 . . . . 26 TRP HA . 15415 1 299 . 1 1 26 26 TRP HB2 H 1 3.4 0.02 . 2 . . . . 26 TRP HB2 . 15415 1 300 . 1 1 26 26 TRP HB3 H 1 3.11 0.02 . 2 . . . . 26 TRP HB3 . 15415 1 301 . 1 1 26 26 TRP HD1 H 1 7.03 0.02 . 1 . . . . 26 TRP HD1 . 15415 1 302 . 1 1 26 26 TRP HE1 H 1 10.05 0.02 . 1 . . . . 26 TRP HE1 . 15415 1 303 . 1 1 26 26 TRP HE3 H 1 7.21 0.02 . 1 . . . . 26 TRP HE3 . 15415 1 304 . 1 1 26 26 TRP HH2 H 1 6.83 0.02 . 1 . . . . 26 TRP HH2 . 15415 1 305 . 1 1 26 26 TRP HZ2 H 1 7.28 0.02 . 1 . . . . 26 TRP HZ2 . 15415 1 306 . 1 1 26 26 TRP HZ3 H 1 6.63 0.02 . 1 . . . . 26 TRP HZ3 . 15415 1 307 . 1 1 26 26 TRP C C 13 172.6 0.2 . 1 . . . . 26 TRP C . 15415 1 308 . 1 1 26 26 TRP CA C 13 57.8 0.2 . 1 . . . . 26 TRP CA . 15415 1 309 . 1 1 26 26 TRP CB C 13 31.5 0.2 . 1 . . . . 26 TRP CB . 15415 1 310 . 1 1 26 26 TRP CD1 C 13 127.2 0.2 . 1 . . . . 26 TRP CD1 . 15415 1 311 . 1 1 26 26 TRP CE3 C 13 120.7 0.2 . 1 . . . . 26 TRP CE3 . 15415 1 312 . 1 1 26 26 TRP CH2 C 13 123.1 0.2 . 1 . . . . 26 TRP CH2 . 15415 1 313 . 1 1 26 26 TRP CZ2 C 13 114.6 0.2 . 1 . . . . 26 TRP CZ2 . 15415 1 314 . 1 1 26 26 TRP CZ3 C 13 120.9 0.2 . 1 . . . . 26 TRP CZ3 . 15415 1 315 . 1 1 26 26 TRP N N 15 122.5 0.2 . 1 . . . . 26 TRP N . 15415 1 316 . 1 1 26 26 TRP NE1 N 15 129.3 0.2 . 1 . . . . 26 TRP NE1 . 15415 1 317 . 1 1 27 27 ALA H H 1 8.64 0.02 . 1 . . . . 27 ALA H . 15415 1 318 . 1 1 27 27 ALA HA H 1 5.17 0.02 . 1 . . . . 27 ALA HA . 15415 1 319 . 1 1 27 27 ALA HB1 H 1 1.37 0.02 . 1 . . . . 27 ALA HB . 15415 1 320 . 1 1 27 27 ALA HB2 H 1 1.37 0.02 . 1 . . . . 27 ALA HB . 15415 1 321 . 1 1 27 27 ALA HB3 H 1 1.37 0.02 . 1 . . . . 27 ALA HB . 15415 1 322 . 1 1 27 27 ALA C C 13 177 0.2 . 1 . . . . 27 ALA C . 15415 1 323 . 1 1 27 27 ALA CA C 13 50.5 0.2 . 1 . . . . 27 ALA CA . 15415 1 324 . 1 1 27 27 ALA CB C 13 21 0.2 . 1 . . . . 27 ALA CB . 15415 1 325 . 1 1 27 27 ALA N N 15 122.2 0.2 . 1 . . . . 27 ALA N . 15415 1 326 . 1 1 28 28 LEU H H 1 8.86 0.02 . 1 . . . . 28 LEU H . 15415 1 327 . 1 1 28 28 LEU HA H 1 4.59 0.02 . 1 . . . . 28 LEU HA . 15415 1 328 . 1 1 28 28 LEU HB2 H 1 1.61 0.02 . 2 . . . . 28 LEU HB2 . 15415 1 329 . 1 1 28 28 LEU HB3 H 1 1.71 0.02 . 2 . . . . 28 LEU HB3 . 15415 1 330 . 1 1 28 28 LEU HD11 H 1 0.92 0.02 . 2 . . . . 28 LEU HD1 . 15415 1 331 . 1 1 28 28 LEU HD12 H 1 0.92 0.02 . 2 . . . . 28 LEU HD1 . 15415 1 332 . 1 1 28 28 LEU HD13 H 1 0.92 0.02 . 2 . . . . 28 LEU HD1 . 15415 1 333 . 1 1 28 28 LEU HD21 H 1 0.89 0.02 . 2 . . . . 28 LEU HD2 . 15415 1 334 . 1 1 28 28 LEU HD22 H 1 0.89 0.02 . 2 . . . . 28 LEU HD2 . 15415 1 335 . 1 1 28 28 LEU HD23 H 1 0.89 0.02 . 2 . . . . 28 LEU HD2 . 15415 1 336 . 1 1 28 28 LEU HG H 1 1.59 0.02 . 1 . . . . 28 LEU HG . 15415 1 337 . 1 1 28 28 LEU C C 13 176.1 0.2 . 1 . . . . 28 LEU C . 15415 1 338 . 1 1 28 28 LEU CA C 13 54.5 0.2 . 1 . . . . 28 LEU CA . 15415 1 339 . 1 1 28 28 LEU CB C 13 43.1 0.2 . 1 . . . . 28 LEU CB . 15415 1 340 . 1 1 28 28 LEU CD1 C 13 23.6 0.2 . 2 . . . . 28 LEU CD1 . 15415 1 341 . 1 1 28 28 LEU CD2 C 13 24.9 0.2 . 2 . . . . 28 LEU CD2 . 15415 1 342 . 1 1 28 28 LEU CG C 13 27.2 0.2 . 1 . . . . 28 LEU CG . 15415 1 343 . 1 1 28 28 LEU N N 15 123.3 0.2 . 1 . . . . 28 LEU N . 15415 1 344 . 1 1 29 29 ALA H H 1 8.54 0.02 . 1 . . . . 29 ALA H . 15415 1 345 . 1 1 29 29 ALA HA H 1 4.82 0.02 . 1 . . . . 29 ALA HA . 15415 1 346 . 1 1 29 29 ALA HB1 H 1 1.29 0.02 . 1 . . . . 29 ALA HB . 15415 1 347 . 1 1 29 29 ALA HB2 H 1 1.29 0.02 . 1 . . . . 29 ALA HB . 15415 1 348 . 1 1 29 29 ALA HB3 H 1 1.29 0.02 . 1 . . . . 29 ALA HB . 15415 1 349 . 1 1 29 29 ALA C C 13 174.3 0.2 . 1 . . . . 29 ALA C . 15415 1 350 . 1 1 29 29 ALA CA C 13 50 0.2 . 1 . . . . 29 ALA CA . 15415 1 351 . 1 1 29 29 ALA CB C 13 19 0.2 . 1 . . . . 29 ALA CB . 15415 1 352 . 1 1 29 29 ALA N N 15 125.9 0.2 . 1 . . . . 29 ALA N . 15415 1 353 . 1 1 30 30 PRO HA H 1 4.44 0.02 . 1 . . . . 30 PRO HA . 15415 1 354 . 1 1 30 30 PRO HB2 H 1 1.8 0.02 . 2 . . . . 30 PRO HB2 . 15415 1 355 . 1 1 30 30 PRO HB3 H 1 2.28 0.02 . 2 . . . . 30 PRO HB3 . 15415 1 356 . 1 1 30 30 PRO HD2 H 1 3.63 0.02 . 1 . . . . 30 PRO HD1 . 15415 1 357 . 1 1 30 30 PRO HD3 H 1 3.56 0.02 . 1 . . . . 30 PRO HD2 . 15415 1 358 . 1 1 30 30 PRO HG2 H 1 1.95 0.02 . 1 . . . . 30 PRO HG2 . 15415 1 359 . 1 1 30 30 PRO HG3 H 1 1.95 0.02 . 1 . . . . 30 PRO HG3 . 15415 1 360 . 1 1 30 30 PRO C C 13 176.8 0.2 . 1 . . . . 30 PRO C . 15415 1 361 . 1 1 30 30 PRO CA C 13 62.6 0.2 . 1 . . . . 30 PRO CA . 15415 1 362 . 1 1 30 30 PRO CB C 13 31.9 0.2 . 1 . . . . 30 PRO CB . 15415 1 363 . 1 1 30 30 PRO CD C 13 50.4 0.2 . 1 . . . . 30 PRO CD . 15415 1 364 . 1 1 30 30 PRO CG C 13 27.3 0.2 . 1 . . . . 30 PRO CG . 15415 1 365 . 1 1 31 31 LYS H H 1 8.37 0.02 . 1 . . . . 31 LYS H . 15415 1 366 . 1 1 31 31 LYS HA H 1 4.17 0.02 . 1 . . . . 31 LYS HA . 15415 1 367 . 1 1 31 31 LYS HB2 H 1 1.8 0.02 . 1 . . . . 31 LYS HB2 . 15415 1 368 . 1 1 31 31 LYS HB3 H 1 1.8 0.02 . 1 . . . . 31 LYS HB3 . 15415 1 369 . 1 1 31 31 LYS HD2 H 1 1.71 0.02 . 1 . . . . 31 LYS HD2 . 15415 1 370 . 1 1 31 31 LYS HD3 H 1 1.71 0.02 . 1 . . . . 31 LYS HD3 . 15415 1 371 . 1 1 31 31 LYS HE2 H 1 3.01 0.02 . 1 . . . . 31 LYS HE2 . 15415 1 372 . 1 1 31 31 LYS HE3 H 1 3.01 0.02 . 1 . . . . 31 LYS HE3 . 15415 1 373 . 1 1 31 31 LYS HG2 H 1 1.4 0.02 . 1 . . . . 31 LYS HG2 . 15415 1 374 . 1 1 31 31 LYS HG3 H 1 1.4 0.02 . 1 . . . . 31 LYS HG3 . 15415 1 375 . 1 1 31 31 LYS C C 13 177.7 0.2 . 1 . . . . 31 LYS C . 15415 1 376 . 1 1 31 31 LYS CA C 13 57.3 0.2 . 1 . . . . 31 LYS CA . 15415 1 377 . 1 1 31 31 LYS CB C 13 32 0.2 . 1 . . . . 31 LYS CB . 15415 1 378 . 1 1 31 31 LYS CD C 13 29.1 0.2 . 1 . . . . 31 LYS CD . 15415 1 379 . 1 1 31 31 LYS CE C 13 42.2 0.2 . 1 . . . . 31 LYS CE . 15415 1 380 . 1 1 31 31 LYS CG C 13 24.6 0.2 . 1 . . . . 31 LYS CG . 15415 1 381 . 1 1 31 31 LYS N N 15 121.5 0.2 . 1 . . . . 31 LYS N . 15415 1 382 . 1 1 32 32 GLY H H 1 8.72 0.02 . 1 . . . . 32 GLY H . 15415 1 383 . 1 1 32 32 GLY HA2 H 1 3.78 0.02 . 2 . . . . 32 GLY HA2 . 15415 1 384 . 1 1 32 32 GLY HA3 H 1 4.12 0.02 . 2 . . . . 32 GLY HA3 . 15415 1 385 . 1 1 32 32 GLY C C 13 173.9 0.2 . 1 . . . . 32 GLY C . 15415 1 386 . 1 1 32 32 GLY CA C 13 45.7 0.2 . 1 . . . . 32 GLY CA . 15415 1 387 . 1 1 32 32 GLY N N 15 112.2 0.2 . 1 . . . . 32 GLY N . 15415 1 388 . 1 1 33 33 ARG H H 1 7.79 0.02 . 1 . . . . 33 ARG H . 15415 1 389 . 1 1 33 33 ARG HA H 1 4.59 0.02 . 1 . . . . 33 ARG HA . 15415 1 390 . 1 1 33 33 ARG HB2 H 1 1.65 0.02 . 2 . . . . 33 ARG HB2 . 15415 1 391 . 1 1 33 33 ARG HB3 H 1 1.99 0.02 . 2 . . . . 33 ARG HB3 . 15415 1 392 . 1 1 33 33 ARG HD2 H 1 3.18 0.02 . 1 . . . . 33 ARG HD2 . 15415 1 393 . 1 1 33 33 ARG HD3 H 1 3.18 0.02 . 1 . . . . 33 ARG HD3 . 15415 1 394 . 1 1 33 33 ARG HG2 H 1 1.58 0.02 . 1 . . . . 33 ARG HG2 . 15415 1 395 . 1 1 33 33 ARG HG3 H 1 1.58 0.02 . 1 . . . . 33 ARG HG3 . 15415 1 396 . 1 1 33 33 ARG C C 13 175.2 0.2 . 1 . . . . 33 ARG C . 15415 1 397 . 1 1 33 33 ARG CA C 13 54.7 0.2 . 1 . . . . 33 ARG CA . 15415 1 398 . 1 1 33 33 ARG CB C 13 32.3 0.2 . 1 . . . . 33 ARG CB . 15415 1 399 . 1 1 33 33 ARG CD C 13 43.3 0.2 . 1 . . . . 33 ARG CD . 15415 1 400 . 1 1 33 33 ARG CG C 13 26.9 0.2 . 1 . . . . 33 ARG CG . 15415 1 401 . 1 1 33 33 ARG N N 15 118.8 0.2 . 1 . . . . 33 ARG N . 15415 1 402 . 1 1 34 34 LYS H H 1 8.19 0.02 . 1 . . . . 34 LYS H . 15415 1 403 . 1 1 34 34 LYS HA H 1 4.28 0.02 . 1 . . . . 34 LYS HA . 15415 1 404 . 1 1 34 34 LYS HB2 H 1 1.82 0.02 . 1 . . . . 34 LYS HB2 . 15415 1 405 . 1 1 34 34 LYS HB3 H 1 1.82 0.02 . 1 . . . . 34 LYS HB3 . 15415 1 406 . 1 1 34 34 LYS HD2 H 1 1.72 0.02 . 1 . . . . 34 LYS HD2 . 15415 1 407 . 1 1 34 34 LYS HD3 H 1 1.72 0.02 . 1 . . . . 34 LYS HD3 . 15415 1 408 . 1 1 34 34 LYS HE2 H 1 3.04 0.02 . 1 . . . . 34 LYS HE2 . 15415 1 409 . 1 1 34 34 LYS HE3 H 1 3.04 0.02 . 1 . . . . 34 LYS HE3 . 15415 1 410 . 1 1 34 34 LYS HG2 H 1 1.52 0.02 . 1 . . . . 34 LYS HG2 . 15415 1 411 . 1 1 34 34 LYS HG3 H 1 1.52 0.02 . 1 . . . . 34 LYS HG3 . 15415 1 412 . 1 1 34 34 LYS C C 13 176.7 0.2 . 1 . . . . 34 LYS C . 15415 1 413 . 1 1 34 34 LYS CA C 13 56.8 0.2 . 1 . . . . 34 LYS CA . 15415 1 414 . 1 1 34 34 LYS CB C 13 32.9 0.2 . 1 . . . . 34 LYS CB . 15415 1 415 . 1 1 34 34 LYS CD C 13 29.2 0.2 . 1 . . . . 34 LYS CD . 15415 1 416 . 1 1 34 34 LYS CE C 13 42.2 0.2 . 1 . . . . 34 LYS CE . 15415 1 417 . 1 1 34 34 LYS CG C 13 24.8 0.2 . 1 . . . . 34 LYS CG . 15415 1 418 . 1 1 34 34 LYS N N 15 120.6 0.2 . 1 . . . . 34 LYS N . 15415 1 419 . 1 1 35 35 GLY H H 1 8.49 0.02 . 1 . . . . 35 GLY H . 15415 1 420 . 1 1 35 35 GLY HA2 H 1 3.9 0.02 . 2 . . . . 35 GLY HA2 . 15415 1 421 . 1 1 35 35 GLY HA3 H 1 4.26 0.02 . 2 . . . . 35 GLY HA3 . 15415 1 422 . 1 1 35 35 GLY C C 13 173.2 0.2 . 1 . . . . 35 GLY C . 15415 1 423 . 1 1 35 35 GLY CA C 13 45.5 0.2 . 1 . . . . 35 GLY CA . 15415 1 424 . 1 1 35 35 GLY N N 15 110.4 0.2 . 1 . . . . 35 GLY N . 15415 1 425 . 1 1 36 36 VAL H H 1 8.13 0.02 . 1 . . . . 36 VAL H . 15415 1 426 . 1 1 36 36 VAL HA H 1 4.38 0.02 . 1 . . . . 36 VAL HA . 15415 1 427 . 1 1 36 36 VAL HB H 1 2.08 0.02 . 1 . . . . 36 VAL HB . 15415 1 428 . 1 1 36 36 VAL HG11 H 1 0.97 0.02 . 2 . . . . 36 VAL HG1 . 15415 1 429 . 1 1 36 36 VAL HG12 H 1 0.97 0.02 . 2 . . . . 36 VAL HG1 . 15415 1 430 . 1 1 36 36 VAL HG13 H 1 0.97 0.02 . 2 . . . . 36 VAL HG1 . 15415 1 431 . 1 1 36 36 VAL HG21 H 1 0.99 0.02 . 2 . . . . 36 VAL HG2 . 15415 1 432 . 1 1 36 36 VAL HG22 H 1 0.99 0.02 . 2 . . . . 36 VAL HG2 . 15415 1 433 . 1 1 36 36 VAL HG23 H 1 0.99 0.02 . 2 . . . . 36 VAL HG2 . 15415 1 434 . 1 1 36 36 VAL C C 13 174.1 0.2 . 1 . . . . 36 VAL C . 15415 1 435 . 1 1 36 36 VAL CA C 13 61.5 0.2 . 1 . . . . 36 VAL CA . 15415 1 436 . 1 1 36 36 VAL CB C 13 34.7 0.2 . 1 . . . . 36 VAL CB . 15415 1 437 . 1 1 36 36 VAL CG1 C 13 21 0.2 . 2 . . . . 36 VAL CG1 . 15415 1 438 . 1 1 36 36 VAL N N 15 119 0.2 . 1 . . . . 36 VAL N . 15415 1 439 . 1 1 37 37 LYS H H 1 9.02 0.02 . 1 . . . . 37 LYS H . 15415 1 440 . 1 1 37 37 LYS HA H 1 5.07 0.02 . 1 . . . . 37 LYS HA . 15415 1 441 . 1 1 37 37 LYS HB2 H 1 1.73 0.02 . 2 . . . . 37 LYS HB2 . 15415 1 442 . 1 1 37 37 LYS HB3 H 1 1.54 0.02 . 2 . . . . 37 LYS HB3 . 15415 1 443 . 1 1 37 37 LYS HD2 H 1 1.86 0.02 . 1 . . . . 37 LYS HD1 . 15415 1 444 . 1 1 37 37 LYS HD3 H 1 1.78 0.02 . 1 . . . . 37 LYS HD2 . 15415 1 445 . 1 1 37 37 LYS HE2 H 1 3.02 0.02 . 2 . . . . 37 LYS HE2 . 15415 1 446 . 1 1 37 37 LYS HE3 H 1 3.12 0.02 . 2 . . . . 37 LYS HE3 . 15415 1 447 . 1 1 37 37 LYS HG2 H 1 1.21 0.02 . 2 . . . . 37 LYS HG2 . 15415 1 448 . 1 1 37 37 LYS HG3 H 1 1.67 0.02 . 2 . . . . 37 LYS HG3 . 15415 1 449 . 1 1 37 37 LYS C C 13 174.7 0.2 . 1 . . . . 37 LYS C . 15415 1 450 . 1 1 37 37 LYS CA C 13 55.4 0.2 . 1 . . . . 37 LYS CA . 15415 1 451 . 1 1 37 37 LYS CB C 13 35.7 0.2 . 1 . . . . 37 LYS CB . 15415 1 452 . 1 1 37 37 LYS CD C 13 30.2 0.2 . 1 . . . . 37 LYS CD . 15415 1 453 . 1 1 37 37 LYS CE C 13 42.9 0.2 . 1 . . . . 37 LYS CE . 15415 1 454 . 1 1 37 37 LYS CG C 13 26.3 0.2 . 1 . . . . 37 LYS CG . 15415 1 455 . 1 1 37 37 LYS N N 15 125.6 0.2 . 1 . . . . 37 LYS N . 15415 1 456 . 1 1 38 38 ILE H H 1 8.86 0.02 . 1 . . . . 38 ILE H . 15415 1 457 . 1 1 38 38 ILE HA H 1 4.39 0.02 . 1 . . . . 38 ILE HA . 15415 1 458 . 1 1 38 38 ILE HB H 1 0.98 0.02 . 1 . . . . 38 ILE HB . 15415 1 459 . 1 1 38 38 ILE HD11 H 1 0.7 0.02 . 1 . . . . 38 ILE HD1 . 15415 1 460 . 1 1 38 38 ILE HD12 H 1 0.7 0.02 . 1 . . . . 38 ILE HD1 . 15415 1 461 . 1 1 38 38 ILE HD13 H 1 0.7 0.02 . 1 . . . . 38 ILE HD1 . 15415 1 462 . 1 1 38 38 ILE HG12 H 1 1.02 0.02 . 2 . . . . 38 ILE HG12 . 15415 1 463 . 1 1 38 38 ILE HG13 H 1 1.27 0.02 . 2 . . . . 38 ILE HG13 . 15415 1 464 . 1 1 38 38 ILE HG21 H 1 0.58 0.02 . 1 . . . . 38 ILE HG2 . 15415 1 465 . 1 1 38 38 ILE HG22 H 1 0.58 0.02 . 1 . . . . 38 ILE HG2 . 15415 1 466 . 1 1 38 38 ILE HG23 H 1 0.58 0.02 . 1 . . . . 38 ILE HG2 . 15415 1 467 . 1 1 38 38 ILE C C 13 173.1 0.2 . 1 . . . . 38 ILE C . 15415 1 468 . 1 1 38 38 ILE CA C 13 59 0.2 . 1 . . . . 38 ILE CA . 15415 1 469 . 1 1 38 38 ILE CB C 13 40.9 0.2 . 1 . . . . 38 ILE CB . 15415 1 470 . 1 1 38 38 ILE CD1 C 13 11.8 0.2 . 1 . . . . 38 ILE CD1 . 15415 1 471 . 1 1 38 38 ILE CG1 C 13 27.3 0.2 . 1 . . . . 38 ILE CG1 . 15415 1 472 . 1 1 38 38 ILE CG2 C 13 18.2 0.2 . 1 . . . . 38 ILE CG2 . 15415 1 473 . 1 1 38 38 ILE N N 15 123.3 0.2 . 1 . . . . 38 ILE N . 15415 1 474 . 1 1 39 39 GLY H H 1 8.6 0.02 . 1 . . . . 39 GLY H . 15415 1 475 . 1 1 39 39 GLY HA2 H 1 2.92 0.02 . 2 . . . . 39 GLY HA2 . 15415 1 476 . 1 1 39 39 GLY HA3 H 1 5.06 0.02 . 2 . . . . 39 GLY HA3 . 15415 1 477 . 1 1 39 39 GLY C C 13 170.4 0.2 . 1 . . . . 39 GLY C . 15415 1 478 . 1 1 39 39 GLY CA C 13 43.8 0.2 . 1 . . . . 39 GLY CA . 15415 1 479 . 1 1 39 39 GLY N N 15 109.5 0.2 . 1 . . . . 39 GLY N . 15415 1 480 . 1 1 40 40 LEU H H 1 8.09 0.02 . 1 . . . . 40 LEU H . 15415 1 481 . 1 1 40 40 LEU HA H 1 4.87 0.02 . 1 . . . . 40 LEU HA . 15415 1 482 . 1 1 40 40 LEU HB2 H 1 1.43 0.02 . 2 . . . . 40 LEU HB2 . 15415 1 483 . 1 1 40 40 LEU HB3 H 1 1.73 0.02 . 2 . . . . 40 LEU HB3 . 15415 1 484 . 1 1 40 40 LEU HD11 H 1 0.66 0.02 . 2 . . . . 40 LEU HD1 . 15415 1 485 . 1 1 40 40 LEU HD12 H 1 0.66 0.02 . 2 . . . . 40 LEU HD1 . 15415 1 486 . 1 1 40 40 LEU HD13 H 1 0.66 0.02 . 2 . . . . 40 LEU HD1 . 15415 1 487 . 1 1 40 40 LEU HD21 H 1 0.96 0.02 . 2 . . . . 40 LEU HD2 . 15415 1 488 . 1 1 40 40 LEU HD22 H 1 0.96 0.02 . 2 . . . . 40 LEU HD2 . 15415 1 489 . 1 1 40 40 LEU HD23 H 1 0.96 0.02 . 2 . . . . 40 LEU HD2 . 15415 1 490 . 1 1 40 40 LEU HG H 1 1.42 0.02 . 1 . . . . 40 LEU HG . 15415 1 491 . 1 1 40 40 LEU C C 13 174.1 0.2 . 1 . . . . 40 LEU C . 15415 1 492 . 1 1 40 40 LEU CA C 13 53.4 0.2 . 1 . . . . 40 LEU CA . 15415 1 493 . 1 1 40 40 LEU CB C 13 45.5 0.2 . 1 . . . . 40 LEU CB . 15415 1 494 . 1 1 40 40 LEU CD1 C 13 25.8 0.2 . 2 . . . . 40 LEU CD1 . 15415 1 495 . 1 1 40 40 LEU CD2 C 13 23.8 0.2 . 2 . . . . 40 LEU CD2 . 15415 1 496 . 1 1 40 40 LEU CG C 13 27.4 0.2 . 1 . . . . 40 LEU CG . 15415 1 497 . 1 1 40 40 LEU N N 15 122.2 0.2 . 1 . . . . 40 LEU N . 15415 1 498 . 1 1 41 41 PHE H H 1 9.18 0.02 . 1 . . . . 41 PHE H . 15415 1 499 . 1 1 41 41 PHE HA H 1 4.62 0.02 . 1 . . . . 41 PHE HA . 15415 1 500 . 1 1 41 41 PHE HB2 H 1 0.97 0.02 . 2 . . . . 41 PHE HB2 . 15415 1 501 . 1 1 41 41 PHE HB3 H 1 2.22 0.02 . 2 . . . . 41 PHE HB3 . 15415 1 502 . 1 1 41 41 PHE HD1 H 1 6.8 0.02 . 1 . . . . 41 PHE HD1 . 15415 1 503 . 1 1 41 41 PHE HD2 H 1 6.8 0.02 . 1 . . . . 41 PHE HD2 . 15415 1 504 . 1 1 41 41 PHE HE1 H 1 7.02 0.02 . 1 . . . . 41 PHE HE1 . 15415 1 505 . 1 1 41 41 PHE HE2 H 1 7.02 0.02 . 1 . . . . 41 PHE HE2 . 15415 1 506 . 1 1 41 41 PHE HZ H 1 6.69 0.02 . 1 . . . . 41 PHE HZ . 15415 1 507 . 1 1 41 41 PHE C C 13 173 0.2 . 1 . . . . 41 PHE C . 15415 1 508 . 1 1 41 41 PHE CA C 13 56 0.2 . 1 . . . . 41 PHE CA . 15415 1 509 . 1 1 41 41 PHE CB C 13 43.4 0.2 . 1 . . . . 41 PHE CB . 15415 1 510 . 1 1 41 41 PHE CD1 C 13 132.7 0.2 . 1 . . . . 41 PHE CD1 . 15415 1 511 . 1 1 41 41 PHE CD2 C 13 132.7 0.2 . 1 . . . . 41 PHE CD2 . 15415 1 512 . 1 1 41 41 PHE CE1 C 13 130.6 0.2 . 1 . . . . 41 PHE CE1 . 15415 1 513 . 1 1 41 41 PHE CE2 C 13 130.6 0.2 . 1 . . . . 41 PHE CE2 . 15415 1 514 . 1 1 41 41 PHE CZ C 13 128.8 0.2 . 1 . . . . 41 PHE CZ . 15415 1 515 . 1 1 41 41 PHE N N 15 124.6 0.2 . 1 . . . . 41 PHE N . 15415 1 516 . 1 1 42 42 LYS H H 1 8.46 0.02 . 1 . . . . 42 LYS H . 15415 1 517 . 1 1 42 42 LYS HA H 1 4.32 0.02 . 1 . . . . 42 LYS HA . 15415 1 518 . 1 1 42 42 LYS HB2 H 1 1.17 0.02 . 2 . . . . 42 LYS HB2 . 15415 1 519 . 1 1 42 42 LYS HB3 H 1 1.56 0.02 . 2 . . . . 42 LYS HB3 . 15415 1 520 . 1 1 42 42 LYS HD2 H 1 1.44 0.02 . 1 . . . . 42 LYS HD2 . 15415 1 521 . 1 1 42 42 LYS HD3 H 1 1.44 0.02 . 1 . . . . 42 LYS HD3 . 15415 1 522 . 1 1 42 42 LYS HE2 H 1 2.74 0.02 . 1 . . . . 42 LYS HE2 . 15415 1 523 . 1 1 42 42 LYS HE3 H 1 2.74 0.02 . 1 . . . . 42 LYS HE3 . 15415 1 524 . 1 1 42 42 LYS HG2 H 1 0.52 0.02 . 2 . . . . 42 LYS HG2 . 15415 1 525 . 1 1 42 42 LYS HG3 H 1 0.71 0.02 . 2 . . . . 42 LYS HG3 . 15415 1 526 . 1 1 42 42 LYS C C 13 175.8 0.2 . 1 . . . . 42 LYS C . 15415 1 527 . 1 1 42 42 LYS CA C 13 54.7 0.2 . 1 . . . . 42 LYS CA . 15415 1 528 . 1 1 42 42 LYS CB C 13 34.5 0.2 . 1 . . . . 42 LYS CB . 15415 1 529 . 1 1 42 42 LYS CD C 13 29.2 0.2 . 1 . . . . 42 LYS CD . 15415 1 530 . 1 1 42 42 LYS CE C 13 41.8 0.2 . 1 . . . . 42 LYS CE . 15415 1 531 . 1 1 42 42 LYS CG C 13 24.8 0.2 . 1 . . . . 42 LYS CG . 15415 1 532 . 1 1 42 42 LYS N N 15 120.8 0.2 . 1 . . . . 42 LYS N . 15415 1 533 . 1 1 43 43 ASP H H 1 8.97 0.02 . 1 . . . . 43 ASP H . 15415 1 534 . 1 1 43 43 ASP HA H 1 4.72 0.02 . 1 . . . . 43 ASP HA . 15415 1 535 . 1 1 43 43 ASP HB2 H 1 2.57 0.02 . 2 . . . . 43 ASP HB2 . 15415 1 536 . 1 1 43 43 ASP HB3 H 1 3.26 0.02 . 2 . . . . 43 ASP HB3 . 15415 1 537 . 1 1 43 43 ASP C C 13 175.8 0.2 . 1 . . . . 43 ASP C . 15415 1 538 . 1 1 43 43 ASP CA C 13 52.1 0.2 . 1 . . . . 43 ASP CA . 15415 1 539 . 1 1 43 43 ASP CB C 13 42.7 0.2 . 1 . . . . 43 ASP CB . 15415 1 540 . 1 1 43 43 ASP N N 15 127.6 0.2 . 1 . . . . 43 ASP N . 15415 1 541 . 1 1 44 44 PRO HA H 1 4.32 0.02 . 1 . . . . 44 PRO HA . 15415 1 542 . 1 1 44 44 PRO HB2 H 1 2.04 0.02 . 2 . . . . 44 PRO HB2 . 15415 1 543 . 1 1 44 44 PRO HB3 H 1 2.4 0.02 . 2 . . . . 44 PRO HB3 . 15415 1 544 . 1 1 44 44 PRO HD2 H 1 4.36 0.02 . 1 . . . . 44 PRO HD1 . 15415 1 545 . 1 1 44 44 PRO HD3 H 1 4.01 0.02 . 1 . . . . 44 PRO HD2 . 15415 1 546 . 1 1 44 44 PRO HG2 H 1 2.12 0.02 . 2 . . . . 44 PRO HG2 . 15415 1 547 . 1 1 44 44 PRO HG3 H 1 2.06 0.02 . 2 . . . . 44 PRO HG3 . 15415 1 548 . 1 1 44 44 PRO C C 13 177.9 0.2 . 1 . . . . 44 PRO C . 15415 1 549 . 1 1 44 44 PRO CA C 13 64.3 0.2 . 1 . . . . 44 PRO CA . 15415 1 550 . 1 1 44 44 PRO CB C 13 32.3 0.2 . 1 . . . . 44 PRO CB . 15415 1 551 . 1 1 44 44 PRO CD C 13 50.9 0.2 . 1 . . . . 44 PRO CD . 15415 1 552 . 1 1 44 44 PRO CG C 13 27.3 0.2 . 1 . . . . 44 PRO CG . 15415 1 553 . 1 1 45 45 GLU H H 1 8.32 0.02 . 1 . . . . 45 GLU H . 15415 1 554 . 1 1 45 45 GLU HA H 1 4.23 0.02 . 1 . . . . 45 GLU HA . 15415 1 555 . 1 1 45 45 GLU HB2 H 1 2.09 0.02 . 1 . . . . 45 GLU HB2 . 15415 1 556 . 1 1 45 45 GLU HB3 H 1 2.09 0.02 . 1 . . . . 45 GLU HB3 . 15415 1 557 . 1 1 45 45 GLU HG2 H 1 2.31 0.02 . 1 . . . . 45 GLU HG2 . 15415 1 558 . 1 1 45 45 GLU HG3 H 1 2.31 0.02 . 1 . . . . 45 GLU HG3 . 15415 1 559 . 1 1 45 45 GLU C C 13 177.8 0.2 . 1 . . . . 45 GLU C . 15415 1 560 . 1 1 45 45 GLU CA C 13 58.6 0.2 . 1 . . . . 45 GLU CA . 15415 1 561 . 1 1 45 45 GLU CB C 13 30.7 0.2 . 1 . . . . 45 GLU CB . 15415 1 562 . 1 1 45 45 GLU CG C 13 37 0.2 . 1 . . . . 45 GLU CG . 15415 1 563 . 1 1 45 45 GLU N N 15 116 0.2 . 1 . . . . 45 GLU N . 15415 1 564 . 1 1 46 46 THR H H 1 7.32 0.02 . 1 . . . . 46 THR H . 15415 1 565 . 1 1 46 46 THR HA H 1 4.46 0.02 . 1 . . . . 46 THR HA . 15415 1 566 . 1 1 46 46 THR HB H 1 4.32 0.02 . 1 . . . . 46 THR HB . 15415 1 567 . 1 1 46 46 THR HG21 H 1 1.19 0.02 . 1 . . . . 46 THR HG2 . 15415 1 568 . 1 1 46 46 THR HG22 H 1 1.19 0.02 . 1 . . . . 46 THR HG2 . 15415 1 569 . 1 1 46 46 THR HG23 H 1 1.19 0.02 . 1 . . . . 46 THR HG2 . 15415 1 570 . 1 1 46 46 THR C C 13 176.3 0.2 . 1 . . . . 46 THR C . 15415 1 571 . 1 1 46 46 THR CA C 13 61.7 0.2 . 1 . . . . 46 THR CA . 15415 1 572 . 1 1 46 46 THR CB C 13 71.5 0.2 . 1 . . . . 46 THR CB . 15415 1 573 . 1 1 46 46 THR CG2 C 13 20.8 0.2 . 1 . . . . 46 THR CG2 . 15415 1 574 . 1 1 46 46 THR N N 15 105.1 0.2 . 1 . . . . 46 THR N . 15415 1 575 . 1 1 47 47 GLY H H 1 8.55 0.02 . 1 . . . . 47 GLY H . 15415 1 576 . 1 1 47 47 GLY HA2 H 1 3.57 0.02 . 2 . . . . 47 GLY HA2 . 15415 1 577 . 1 1 47 47 GLY HA3 H 1 4.16 0.02 . 2 . . . . 47 GLY HA3 . 15415 1 578 . 1 1 47 47 GLY C C 13 173.2 0.2 . 1 . . . . 47 GLY C . 15415 1 579 . 1 1 47 47 GLY CA C 13 45.7 0.2 . 1 . . . . 47 GLY CA . 15415 1 580 . 1 1 47 47 GLY N N 15 111.5 0.2 . 1 . . . . 47 GLY N . 15415 1 581 . 1 1 48 48 LYS H H 1 7.7 0.02 . 1 . . . . 48 LYS H . 15415 1 582 . 1 1 48 48 LYS HA H 1 4.41 0.02 . 1 . . . . 48 LYS HA . 15415 1 583 . 1 1 48 48 LYS HB2 H 1 1.8 0.02 . 2 . . . . 48 LYS HB2 . 15415 1 584 . 1 1 48 48 LYS HB3 H 1 1.98 0.02 . 2 . . . . 48 LYS HB3 . 15415 1 585 . 1 1 48 48 LYS HD2 H 1 1.72 0.02 . 1 . . . . 48 LYS HD2 . 15415 1 586 . 1 1 48 48 LYS HD3 H 1 1.72 0.02 . 1 . . . . 48 LYS HD3 . 15415 1 587 . 1 1 48 48 LYS HE2 H 1 3.06 0.02 . 1 . . . . 48 LYS HE2 . 15415 1 588 . 1 1 48 48 LYS HE3 H 1 3.06 0.02 . 1 . . . . 48 LYS HE3 . 15415 1 589 . 1 1 48 48 LYS HG2 H 1 1.48 0.02 . 1 . . . . 48 LYS HG2 . 15415 1 590 . 1 1 48 48 LYS HG3 H 1 1.48 0.02 . 1 . . . . 48 LYS HG3 . 15415 1 591 . 1 1 48 48 LYS C C 13 176.6 0.2 . 1 . . . . 48 LYS C . 15415 1 592 . 1 1 48 48 LYS CA C 13 55.8 0.2 . 1 . . . . 48 LYS CA . 15415 1 593 . 1 1 48 48 LYS CB C 13 33.9 0.2 . 1 . . . . 48 LYS CB . 15415 1 594 . 1 1 48 48 LYS CD C 13 29 0.2 . 1 . . . . 48 LYS CD . 15415 1 595 . 1 1 48 48 LYS CE C 13 42.3 0.2 . 1 . . . . 48 LYS CE . 15415 1 596 . 1 1 48 48 LYS CG C 13 25.3 0.2 . 1 . . . . 48 LYS CG . 15415 1 597 . 1 1 48 48 LYS N N 15 118.8 0.2 . 1 . . . . 48 LYS N . 15415 1 598 . 1 1 49 49 TYR H H 1 8.74 0.02 . 1 . . . . 49 TYR H . 15415 1 599 . 1 1 49 49 TYR HA H 1 5.67 0.02 . 1 . . . . 49 TYR HA . 15415 1 600 . 1 1 49 49 TYR HB2 H 1 2.93 0.02 . 1 . . . . 49 TYR HB2 . 15415 1 601 . 1 1 49 49 TYR HB3 H 1 2.93 0.02 . 1 . . . . 49 TYR HB3 . 15415 1 602 . 1 1 49 49 TYR HD1 H 1 7.1 0.02 . 1 . . . . 49 TYR HD1 . 15415 1 603 . 1 1 49 49 TYR HD2 H 1 7.1 0.02 . 1 . . . . 49 TYR HD2 . 15415 1 604 . 1 1 49 49 TYR HE1 H 1 6.74 0.02 . 1 . . . . 49 TYR HE1 . 15415 1 605 . 1 1 49 49 TYR HE2 H 1 6.74 0.02 . 1 . . . . 49 TYR HE2 . 15415 1 606 . 1 1 49 49 TYR C C 13 177.4 0.2 . 1 . . . . 49 TYR C . 15415 1 607 . 1 1 49 49 TYR CA C 13 58.2 0.2 . 1 . . . . 49 TYR CA . 15415 1 608 . 1 1 49 49 TYR CB C 13 40.3 0.2 . 1 . . . . 49 TYR CB . 15415 1 609 . 1 1 49 49 TYR CD1 C 13 133 0.2 . 1 . . . . 49 TYR CD1 . 15415 1 610 . 1 1 49 49 TYR CD2 C 13 133 0.2 . 1 . . . . 49 TYR CD2 . 15415 1 611 . 1 1 49 49 TYR CE1 C 13 117.9 0.2 . 1 . . . . 49 TYR CE1 . 15415 1 612 . 1 1 49 49 TYR CE2 C 13 117.9 0.2 . 1 . . . . 49 TYR CE2 . 15415 1 613 . 1 1 49 49 TYR N N 15 121.1 0.2 . 1 . . . . 49 TYR N . 15415 1 614 . 1 1 50 50 PHE H H 1 9.63 0.02 . 1 . . . . 50 PHE H . 15415 1 615 . 1 1 50 50 PHE HA H 1 5.15 0.02 . 1 . . . . 50 PHE HA . 15415 1 616 . 1 1 50 50 PHE HB2 H 1 3.27 0.02 . 1 . . . . 50 PHE HB2 . 15415 1 617 . 1 1 50 50 PHE HB3 H 1 3.27 0.02 . 1 . . . . 50 PHE HB3 . 15415 1 618 . 1 1 50 50 PHE HD1 H 1 7.27 0.02 . 1 . . . . 50 PHE HD1 . 15415 1 619 . 1 1 50 50 PHE HD2 H 1 7.27 0.02 . 1 . . . . 50 PHE HD2 . 15415 1 620 . 1 1 50 50 PHE HE1 H 1 6.8 0.02 . 1 . . . . 50 PHE HE1 . 15415 1 621 . 1 1 50 50 PHE HE2 H 1 6.8 0.02 . 1 . . . . 50 PHE HE2 . 15415 1 622 . 1 1 50 50 PHE HZ H 1 6.62 0.02 . 1 . . . . 50 PHE HZ . 15415 1 623 . 1 1 50 50 PHE C C 13 172.5 0.2 . 1 . . . . 50 PHE C . 15415 1 624 . 1 1 50 50 PHE CA C 13 56.2 0.2 . 1 . . . . 50 PHE CA . 15415 1 625 . 1 1 50 50 PHE CB C 13 41.4 0.2 . 1 . . . . 50 PHE CB . 15415 1 626 . 1 1 50 50 PHE CD1 C 13 133.6 0.2 . 1 . . . . 50 PHE CD1 . 15415 1 627 . 1 1 50 50 PHE CD2 C 13 133.6 0.2 . 1 . . . . 50 PHE CD2 . 15415 1 628 . 1 1 50 50 PHE CE1 C 13 130.5 0.2 . 1 . . . . 50 PHE CE1 . 15415 1 629 . 1 1 50 50 PHE CE2 C 13 130.5 0.2 . 1 . . . . 50 PHE CE2 . 15415 1 630 . 1 1 50 50 PHE CZ C 13 128.9 0.2 . 1 . . . . 50 PHE CZ . 15415 1 631 . 1 1 50 50 PHE N N 15 118.4 0.2 . 1 . . . . 50 PHE N . 15415 1 632 . 1 1 51 51 ARG H H 1 8.94 0.02 . 1 . . . . 51 ARG H . 15415 1 633 . 1 1 51 51 ARG HA H 1 5.74 0.02 . 1 . . . . 51 ARG HA . 15415 1 634 . 1 1 51 51 ARG HB2 H 1 1.84 0.02 . 2 . . . . 51 ARG HB2 . 15415 1 635 . 1 1 51 51 ARG HB3 H 1 1.77 0.02 . 2 . . . . 51 ARG HB3 . 15415 1 636 . 1 1 51 51 ARG HD2 H 1 3.23 0.02 . 1 . . . . 51 ARG HD2 . 15415 1 637 . 1 1 51 51 ARG HD3 H 1 3.23 0.02 . 1 . . . . 51 ARG HD3 . 15415 1 638 . 1 1 51 51 ARG HG2 H 1 1.67 0.02 . 2 . . . . 51 ARG HG2 . 15415 1 639 . 1 1 51 51 ARG HG3 H 1 1.84 0.02 . 2 . . . . 51 ARG HG3 . 15415 1 640 . 1 1 51 51 ARG C C 13 176.6 0.2 . 1 . . . . 51 ARG C . 15415 1 641 . 1 1 51 51 ARG CA C 13 54.9 0.2 . 1 . . . . 51 ARG CA . 15415 1 642 . 1 1 51 51 ARG CB C 13 32.7 0.2 . 1 . . . . 51 ARG CB . 15415 1 643 . 1 1 51 51 ARG CD C 13 43.8 0.2 . 1 . . . . 51 ARG CD . 15415 1 644 . 1 1 51 51 ARG CG C 13 28.7 0.2 . 1 . . . . 51 ARG CG . 15415 1 645 . 1 1 51 51 ARG N N 15 120.7 0.2 . 1 . . . . 51 ARG N . 15415 1 646 . 1 1 52 52 HIS H H 1 9.13 0.02 . 1 . . . . 52 HIS H . 15415 1 647 . 1 1 52 52 HIS HA H 1 4.73 0.02 . 1 . . . . 52 HIS HA . 15415 1 648 . 1 1 52 52 HIS HB2 H 1 2.91 0.02 . 2 . . . . 52 HIS HB2 . 15415 1 649 . 1 1 52 52 HIS HB3 H 1 3.04 0.02 . 2 . . . . 52 HIS HB3 . 15415 1 650 . 1 1 52 52 HIS HE1 H 1 7.93 0.02 . 1 . . . . 52 HIS HE1 . 15415 1 651 . 1 1 52 52 HIS C C 13 173.9 0.2 . 1 . . . . 52 HIS C . 15415 1 652 . 1 1 52 52 HIS CA C 13 56.6 0.2 . 1 . . . . 52 HIS CA . 15415 1 653 . 1 1 52 52 HIS CB C 13 33.7 0.2 . 1 . . . . 52 HIS CB . 15415 1 654 . 1 1 52 52 HIS CE1 C 13 140.2 0.2 . 1 . . . . 52 HIS CE1 . 15415 1 655 . 1 1 52 52 HIS N N 15 120.4 0.2 . 1 . . . . 52 HIS N . 15415 1 656 . 1 1 53 53 LYS H H 1 8.77 0.02 . 1 . . . . 53 LYS H . 15415 1 657 . 1 1 53 53 LYS HA H 1 4.59 0.02 . 1 . . . . 53 LYS HA . 15415 1 658 . 1 1 53 53 LYS HB2 H 1 1.82 0.02 . 2 . . . . 53 LYS HB2 . 15415 1 659 . 1 1 53 53 LYS HB3 H 1 1.75 0.02 . 2 . . . . 53 LYS HB3 . 15415 1 660 . 1 1 53 53 LYS HD2 H 1 1.72 0.02 . 1 . . . . 53 LYS HD2 . 15415 1 661 . 1 1 53 53 LYS HD3 H 1 1.72 0.02 . 1 . . . . 53 LYS HD3 . 15415 1 662 . 1 1 53 53 LYS HE2 H 1 3.07 0.02 . 1 . . . . 53 LYS HE2 . 15415 1 663 . 1 1 53 53 LYS HE3 H 1 3.07 0.02 . 1 . . . . 53 LYS HE3 . 15415 1 664 . 1 1 53 53 LYS HG2 H 1 1.55 0.02 . 1 . . . . 53 LYS HG2 . 15415 1 665 . 1 1 53 53 LYS HG3 H 1 1.55 0.02 . 1 . . . . 53 LYS HG3 . 15415 1 666 . 1 1 53 53 LYS C C 13 176.7 0.2 . 1 . . . . 53 LYS C . 15415 1 667 . 1 1 53 53 LYS CA C 13 58 0.2 . 1 . . . . 53 LYS CA . 15415 1 668 . 1 1 53 53 LYS CB C 13 33.3 0.2 . 1 . . . . 53 LYS CB . 15415 1 669 . 1 1 53 53 LYS CD C 13 29.2 0.2 . 1 . . . . 53 LYS CD . 15415 1 670 . 1 1 53 53 LYS CE C 13 42.1 0.2 . 1 . . . . 53 LYS CE . 15415 1 671 . 1 1 53 53 LYS CG C 13 24.8 0.2 . 1 . . . . 53 LYS CG . 15415 1 672 . 1 1 53 53 LYS N N 15 127.5 0.2 . 1 . . . . 53 LYS N . 15415 1 673 . 1 1 54 54 LEU H H 1 8.69 0.02 . 1 . . . . 54 LEU H . 15415 1 674 . 1 1 54 54 LEU HA H 1 4.83 0.02 . 1 . . . . 54 LEU HA . 15415 1 675 . 1 1 54 54 LEU HB2 H 1 1.43 0.02 . 2 . . . . 54 LEU HB2 . 15415 1 676 . 1 1 54 54 LEU HB3 H 1 1.14 0.02 . 2 . . . . 54 LEU HB3 . 15415 1 677 . 1 1 54 54 LEU HD11 H 1 0.58 0.02 . 2 . . . . 54 LEU HD1 . 15415 1 678 . 1 1 54 54 LEU HD12 H 1 0.58 0.02 . 2 . . . . 54 LEU HD1 . 15415 1 679 . 1 1 54 54 LEU HD13 H 1 0.58 0.02 . 2 . . . . 54 LEU HD1 . 15415 1 680 . 1 1 54 54 LEU HD21 H 1 0.35 0.02 . 2 . . . . 54 LEU HD2 . 15415 1 681 . 1 1 54 54 LEU HD22 H 1 0.35 0.02 . 2 . . . . 54 LEU HD2 . 15415 1 682 . 1 1 54 54 LEU HD23 H 1 0.35 0.02 . 2 . . . . 54 LEU HD2 . 15415 1 683 . 1 1 54 54 LEU HG H 1 1.54 0.02 . 1 . . . . 54 LEU HG . 15415 1 684 . 1 1 54 54 LEU C C 13 173.9 0.2 . 1 . . . . 54 LEU C . 15415 1 685 . 1 1 54 54 LEU CA C 13 51.7 0.2 . 1 . . . . 54 LEU CA . 15415 1 686 . 1 1 54 54 LEU CB C 13 41.4 0.2 . 1 . . . . 54 LEU CB . 15415 1 687 . 1 1 54 54 LEU CD1 C 13 24.1 0.2 . 2 . . . . 54 LEU CD1 . 15415 1 688 . 1 1 54 54 LEU CD2 C 13 26.7 0.2 . 2 . . . . 54 LEU CD2 . 15415 1 689 . 1 1 54 54 LEU CG C 13 26.6 0.2 . 1 . . . . 54 LEU CG . 15415 1 690 . 1 1 54 54 LEU N N 15 125.4 0.2 . 1 . . . . 54 LEU N . 15415 1 691 . 1 1 55 55 PRO HA H 1 4.42 0.02 . 1 . . . . 55 PRO HA . 15415 1 692 . 1 1 55 55 PRO HB2 H 1 2.15 0.02 . 2 . . . . 55 PRO HB2 . 15415 1 693 . 1 1 55 55 PRO HB3 H 1 2.58 0.02 . 2 . . . . 55 PRO HB3 . 15415 1 694 . 1 1 55 55 PRO HD2 H 1 3.49 0.02 . 1 . . . . 55 PRO HD1 . 15415 1 695 . 1 1 55 55 PRO HD3 H 1 3.93 0.02 . 1 . . . . 55 PRO HD2 . 15415 1 696 . 1 1 55 55 PRO HG2 H 1 2.25 0.02 . 2 . . . . 55 PRO HG2 . 15415 1 697 . 1 1 55 55 PRO HG3 H 1 2.38 0.02 . 2 . . . . 55 PRO HG3 . 15415 1 698 . 1 1 55 55 PRO C C 13 177.1 0.2 . 1 . . . . 55 PRO C . 15415 1 699 . 1 1 55 55 PRO CA C 13 62.9 0.2 . 1 . . . . 55 PRO CA . 15415 1 700 . 1 1 55 55 PRO CB C 13 32.5 0.2 . 1 . . . . 55 PRO CB . 15415 1 701 . 1 1 55 55 PRO CD C 13 50.7 0.2 . 1 . . . . 55 PRO CD . 15415 1 702 . 1 1 55 55 PRO CG C 13 28 0.2 . 1 . . . . 55 PRO CG . 15415 1 703 . 1 1 56 56 ASP H H 1 8.74 0.02 . 1 . . . . 56 ASP H . 15415 1 704 . 1 1 56 56 ASP HA H 1 4.44 0.02 . 1 . . . . 56 ASP HA . 15415 1 705 . 1 1 56 56 ASP HB2 H 1 2.77 0.02 . 2 . . . . 56 ASP HB2 . 15415 1 706 . 1 1 56 56 ASP HB3 H 1 2.64 0.02 . 2 . . . . 56 ASP HB3 . 15415 1 707 . 1 1 56 56 ASP C C 13 177.2 0.2 . 1 . . . . 56 ASP C . 15415 1 708 . 1 1 56 56 ASP CA C 13 57.5 0.2 . 1 . . . . 56 ASP CA . 15415 1 709 . 1 1 56 56 ASP CB C 13 40.5 0.2 . 1 . . . . 56 ASP CB . 15415 1 710 . 1 1 56 56 ASP N N 15 120.7 0.2 . 1 . . . . 56 ASP N . 15415 1 711 . 1 1 57 57 ASP H H 1 8.35 0.02 . 1 . . . . 57 ASP H . 15415 1 712 . 1 1 57 57 ASP HA H 1 4.62 0.02 . 1 . . . . 57 ASP HA . 15415 1 713 . 1 1 57 57 ASP HB2 H 1 2.57 0.02 . 2 . . . . 57 ASP HB2 . 15415 1 714 . 1 1 57 57 ASP HB3 H 1 2.93 0.02 . 2 . . . . 57 ASP HB3 . 15415 1 715 . 1 1 57 57 ASP C C 13 176.3 0.2 . 1 . . . . 57 ASP C . 15415 1 716 . 1 1 57 57 ASP CA C 13 52.6 0.2 . 1 . . . . 57 ASP CA . 15415 1 717 . 1 1 57 57 ASP CB C 13 39.5 0.2 . 1 . . . . 57 ASP CB . 15415 1 718 . 1 1 57 57 ASP N N 15 116.4 0.2 . 1 . . . . 57 ASP N . 15415 1 719 . 1 1 58 58 TYR H H 1 7.89 0.02 . 1 . . . . 58 TYR H . 15415 1 720 . 1 1 58 58 TYR HA H 1 4.35 0.02 . 1 . . . . 58 TYR HA . 15415 1 721 . 1 1 58 58 TYR HB2 H 1 2.76 0.02 . 2 . . . . 58 TYR HB2 . 15415 1 722 . 1 1 58 58 TYR HB3 H 1 3.09 0.02 . 2 . . . . 58 TYR HB3 . 15415 1 723 . 1 1 58 58 TYR HD1 H 1 7.01 0.02 . 1 . . . . 58 TYR HD1 . 15415 1 724 . 1 1 58 58 TYR HD2 H 1 7.01 0.02 . 1 . . . . 58 TYR HD2 . 15415 1 725 . 1 1 58 58 TYR HE1 H 1 6.72 0.02 . 1 . . . . 58 TYR HE1 . 15415 1 726 . 1 1 58 58 TYR HE2 H 1 6.72 0.02 . 1 . . . . 58 TYR HE2 . 15415 1 727 . 1 1 58 58 TYR C C 13 174.4 0.2 . 1 . . . . 58 TYR C . 15415 1 728 . 1 1 58 58 TYR CA C 13 58.4 0.2 . 1 . . . . 58 TYR CA . 15415 1 729 . 1 1 58 58 TYR CB C 13 40.3 0.2 . 1 . . . . 58 TYR CB . 15415 1 730 . 1 1 58 58 TYR CD1 C 13 133.6 0.2 . 1 . . . . 58 TYR CD1 . 15415 1 731 . 1 1 58 58 TYR CD2 C 13 133.6 0.2 . 1 . . . . 58 TYR CD2 . 15415 1 732 . 1 1 58 58 TYR CE1 C 13 118.1 0.2 . 1 . . . . 58 TYR CE1 . 15415 1 733 . 1 1 58 58 TYR CE2 C 13 118.1 0.2 . 1 . . . . 58 TYR CE2 . 15415 1 734 . 1 1 58 58 TYR N N 15 125.5 0.2 . 1 . . . . 58 TYR N . 15415 1 735 . 1 1 59 59 PRO HA H 1 4.36 0.02 . 1 . . . . 59 PRO HA . 15415 1 736 . 1 1 59 59 PRO HB2 H 1 1.83 0.02 . 2 . . . . 59 PRO HB2 . 15415 1 737 . 1 1 59 59 PRO HB3 H 1 1.98 0.02 . 2 . . . . 59 PRO HB3 . 15415 1 738 . 1 1 59 59 PRO HD2 H 1 3.44 0.02 . 1 . . . . 59 PRO HD1 . 15415 1 739 . 1 1 59 59 PRO HD3 H 1 2.1 0.02 . 1 . . . . 59 PRO HD2 . 15415 1 740 . 1 1 59 59 PRO HG2 H 1 1.72 0.02 . 1 . . . . 59 PRO HG2 . 15415 1 741 . 1 1 59 59 PRO HG3 H 1 1.72 0.02 . 1 . . . . 59 PRO HG3 . 15415 1 742 . 1 1 59 59 PRO C C 13 174.7 0.2 . 1 . . . . 59 PRO C . 15415 1 743 . 1 1 59 59 PRO CA C 13 63.4 0.2 . 1 . . . . 59 PRO CA . 15415 1 744 . 1 1 59 59 PRO CB C 13 31.1 0.2 . 1 . . . . 59 PRO CB . 15415 1 745 . 1 1 59 59 PRO CD C 13 50.1 0.2 . 1 . . . . 59 PRO CD . 15415 1 746 . 1 1 59 59 PRO CG C 13 27.3 0.2 . 1 . . . . 59 PRO CG . 15415 1 747 . 1 1 60 60 ILE H H 1 7.6 0.02 . 1 . . . . 60 ILE H . 15415 1 748 . 1 1 60 60 ILE HA H 1 4.13 0.02 . 1 . . . . 60 ILE HA . 15415 1 749 . 1 1 60 60 ILE HB H 1 1.87 0.02 . 1 . . . . 60 ILE HB . 15415 1 750 . 1 1 60 60 ILE HD11 H 1 0.81 0.02 . 1 . . . . 60 ILE HD1 . 15415 1 751 . 1 1 60 60 ILE HD12 H 1 0.81 0.02 . 1 . . . . 60 ILE HD1 . 15415 1 752 . 1 1 60 60 ILE HD13 H 1 0.81 0.02 . 1 . . . . 60 ILE HD1 . 15415 1 753 . 1 1 60 60 ILE HG12 H 1 1.26 0.02 . 2 . . . . 60 ILE HG12 . 15415 1 754 . 1 1 60 60 ILE HG13 H 1 1.47 0.02 . 2 . . . . 60 ILE HG13 . 15415 1 755 . 1 1 60 60 ILE HG21 H 1 0.91 0.02 . 1 . . . . 60 ILE HG2 . 15415 1 756 . 1 1 60 60 ILE HG22 H 1 0.91 0.02 . 1 . . . . 60 ILE HG2 . 15415 1 757 . 1 1 60 60 ILE HG23 H 1 0.91 0.02 . 1 . . . . 60 ILE HG2 . 15415 1 758 . 1 1 60 60 ILE C C 13 172.3 0.2 . 1 . . . . 60 ILE C . 15415 1 759 . 1 1 60 60 ILE CA C 13 62.2 0.2 . 1 . . . . 60 ILE CA . 15415 1 760 . 1 1 60 60 ILE CB C 13 39.4 0.2 . 1 . . . . 60 ILE CB . 15415 1 761 . 1 1 60 60 ILE CD1 C 13 13.5 0.2 . 1 . . . . 60 ILE CD1 . 15415 1 762 . 1 1 60 60 ILE CG1 C 13 27.3 0.2 . 1 . . . . 60 ILE CG1 . 15415 1 763 . 1 1 60 60 ILE CG2 C 13 18 0.2 . 1 . . . . 60 ILE CG2 . 15415 1 764 . 1 1 60 60 ILE N N 15 125.7 0.2 . 1 . . . . 60 ILE N . 15415 1 stop_ save_