data_15314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15314 _Entry.Title ; Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from the phytopathogen Xylella fastidiosa. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-18 _Entry.Accession_date 2007-06-18 _Entry.Last_release_date 2009-10-14 _Entry.Original_release_date 2009-10-14 _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 Luciana Rosselli . K. . 15314 2 Mauricio Sforca . L. . 15314 3 Anete Souza . P. . 15314 4 Ana Zeri . C. . 15314 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 . SMOLBnet 'Structural Molecular Biology Network' . 15314 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA biding protein' . 15314 H-NS . 15314 'Xylella fastidiosa' . 15314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 15314 '15N chemical shifts' 74 15314 '1H chemical shifts' 516 15314 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-14 2007-06-18 original author . 15314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JR1 'BMRB Entry Tracking System' 15314 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15314 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from the phytopathogen Xylella fastidiosa.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Luciana Rosselli . K. . 15314 1 2 Mauricio Sforca . L. . 15314 1 3 Anete Souza . P. . 15314 1 4 Ana Zeri . C. . 15314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15314 _Assembly.ID 1 _Assembly.Name HNS79c_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 HNS79c 1 $protein_HNS79c A . yes native no no . . . 15314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein_HNS79c _Entity.Sf_category entity _Entity.Sf_framecode protein_HNS79c _Entity.Entry_ID 15314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein_HNS79c _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 ; FNVKQKSEITALVKEVTPPR KAPSKAKREAPIKYWLPHSG ATWSGRGKIPKPFEAWIGTA AYTAWKAKHPDEKFPAFPG ; _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 79 _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 8857.435 _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 2JR1 . "Solution Structure Of The Dna Binding Domain Of A Nucleoid-Associated Protein, H-Ns, From The Phytopathogen Xylella Fastidiosa" . . . . . 100.00 79 100.00 100.00 2.97e-47 . . . . 15314 1 2 no GB AAF83559 . "virulence regulator [Xylella fastidiosa 9a5c]" . . . . . 100.00 134 100.00 100.00 8.96e-49 . . . . 15314 1 3 no GB AAO29736 . "virulence regulator [Xylella fastidiosa Temecula1]" . . . . . 100.00 134 98.73 100.00 2.71e-48 . . . . 15314 1 4 no GB ACA12952 . "virulence regulator [Xylella fastidiosa M12]" . . . . . 100.00 134 98.73 100.00 2.71e-48 . . . . 15314 1 5 no GB ACB93409 . "histone family protein nucleoid-structuring protein H-NS [Xylella fastidiosa M23]" . . . . . 100.00 134 98.73 100.00 2.71e-48 . . . . 15314 1 6 no GB ADN62770 . "histone family protein nucleoid-structuring protein H-NS [Xylella fastidiosa subsp. fastidiosa GB514]" . . . . . 100.00 134 98.73 100.00 2.71e-48 . . . . 15314 1 7 no REF WP_004090416 . "DNA-binding protein H-NS [Xylella fastidiosa]" . . . . . 100.00 134 98.73 100.00 2.71e-48 . . . . 15314 1 8 no REF WP_010893272 . "virulence regulator [Xylella fastidiosa]" . . . . . 100.00 134 100.00 100.00 8.96e-49 . . . . 15314 1 9 no REF WP_020852461 . "histone-like nucleoid-structuring protein H-NS [Xylella fastidiosa]" . . . . . 100.00 134 100.00 100.00 8.21e-49 . . . . 15314 1 10 no REF WP_057682395 . "histone-like nucleoid-structuring protein [Xylella fastidiosa]" . . . . . 100.00 134 97.47 98.73 2.38e-47 . . . . 15314 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 . PHE . 15314 1 2 . ASN . 15314 1 3 . VAL . 15314 1 4 . LYS . 15314 1 5 . GLN . 15314 1 6 . LYS . 15314 1 7 . SER . 15314 1 8 . GLU . 15314 1 9 . ILE . 15314 1 10 . THR . 15314 1 11 . ALA . 15314 1 12 . LEU . 15314 1 13 . VAL . 15314 1 14 . LYS . 15314 1 15 . GLU . 15314 1 16 . VAL . 15314 1 17 . THR . 15314 1 18 . PRO . 15314 1 19 . PRO . 15314 1 20 . ARG . 15314 1 21 . LYS . 15314 1 22 . ALA . 15314 1 23 . PRO . 15314 1 24 . SER . 15314 1 25 . LYS . 15314 1 26 . ALA . 15314 1 27 . LYS . 15314 1 28 . ARG . 15314 1 29 . GLU . 15314 1 30 . ALA . 15314 1 31 . PRO . 15314 1 32 . ILE . 15314 1 33 . LYS . 15314 1 34 . TYR . 15314 1 35 . TRP . 15314 1 36 . LEU . 15314 1 37 . PRO . 15314 1 38 . HIS . 15314 1 39 . SER . 15314 1 40 . GLY . 15314 1 41 . ALA . 15314 1 42 . THR . 15314 1 43 . TRP . 15314 1 44 . SER . 15314 1 45 . GLY . 15314 1 46 . ARG . 15314 1 47 . GLY . 15314 1 48 . LYS . 15314 1 49 . ILE . 15314 1 50 . PRO . 15314 1 51 . LYS . 15314 1 52 . PRO . 15314 1 53 . PHE . 15314 1 54 . GLU . 15314 1 55 . ALA . 15314 1 56 . TRP . 15314 1 57 . ILE . 15314 1 58 . GLY . 15314 1 59 . THR . 15314 1 60 . ALA . 15314 1 61 . ALA . 15314 1 62 . TYR . 15314 1 63 . THR . 15314 1 64 . ALA . 15314 1 65 . TRP . 15314 1 66 . LYS . 15314 1 67 . ALA . 15314 1 68 . LYS . 15314 1 69 . HIS . 15314 1 70 . PRO . 15314 1 71 . ASP . 15314 1 72 . GLU . 15314 1 73 . LYS . 15314 1 74 . PHE . 15314 1 75 . PRO . 15314 1 76 . ALA . 15314 1 77 . PHE . 15314 1 78 . PRO . 15314 1 79 . GLY . 15314 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 . PHE 1 1 15314 1 . ASN 2 2 15314 1 . VAL 3 3 15314 1 . LYS 4 4 15314 1 . GLN 5 5 15314 1 . LYS 6 6 15314 1 . SER 7 7 15314 1 . GLU 8 8 15314 1 . ILE 9 9 15314 1 . THR 10 10 15314 1 . ALA 11 11 15314 1 . LEU 12 12 15314 1 . VAL 13 13 15314 1 . LYS 14 14 15314 1 . GLU 15 15 15314 1 . VAL 16 16 15314 1 . THR 17 17 15314 1 . PRO 18 18 15314 1 . PRO 19 19 15314 1 . ARG 20 20 15314 1 . LYS 21 21 15314 1 . ALA 22 22 15314 1 . PRO 23 23 15314 1 . SER 24 24 15314 1 . LYS 25 25 15314 1 . ALA 26 26 15314 1 . LYS 27 27 15314 1 . ARG 28 28 15314 1 . GLU 29 29 15314 1 . ALA 30 30 15314 1 . PRO 31 31 15314 1 . ILE 32 32 15314 1 . LYS 33 33 15314 1 . TYR 34 34 15314 1 . TRP 35 35 15314 1 . LEU 36 36 15314 1 . PRO 37 37 15314 1 . HIS 38 38 15314 1 . SER 39 39 15314 1 . GLY 40 40 15314 1 . ALA 41 41 15314 1 . THR 42 42 15314 1 . TRP 43 43 15314 1 . SER 44 44 15314 1 . GLY 45 45 15314 1 . ARG 46 46 15314 1 . GLY 47 47 15314 1 . LYS 48 48 15314 1 . ILE 49 49 15314 1 . PRO 50 50 15314 1 . LYS 51 51 15314 1 . PRO 52 52 15314 1 . PHE 53 53 15314 1 . GLU 54 54 15314 1 . ALA 55 55 15314 1 . TRP 56 56 15314 1 . ILE 57 57 15314 1 . GLY 58 58 15314 1 . THR 59 59 15314 1 . ALA 60 60 15314 1 . ALA 61 61 15314 1 . TYR 62 62 15314 1 . THR 63 63 15314 1 . ALA 64 64 15314 1 . TRP 65 65 15314 1 . LYS 66 66 15314 1 . ALA 67 67 15314 1 . LYS 68 68 15314 1 . HIS 69 69 15314 1 . PRO 70 70 15314 1 . ASP 71 71 15314 1 . GLU 72 72 15314 1 . LYS 73 73 15314 1 . PHE 74 74 15314 1 . PRO 75 75 15314 1 . ALA 76 76 15314 1 . PHE 77 77 15314 1 . PRO 78 78 15314 1 . GLY 79 79 15314 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 15314 _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 $protein_HNS79c . 2371 organism . 'Xylella fastidiosa' 'Xylella fastidiosa' . . Bacteria . Xylella fastidiosa 9a5c . . . . . . . . . . . . . . . XF0749 . . . . 15314 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 15314 _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 $protein_HNS79c . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET32Xa/LIC . . . . . . 15314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15314 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 protein_HNS79c '[U-99% 13C; U-99% 15N]' . . 1 $protein_HNS79c . . 0.5 . . mM . . . . 15314 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15314 1 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 15314 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 15314 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15314 1 6 D2O . . . . . . . 5 . . % . . . . 15314 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15314 _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 protein_HNS79c '[U-99% 13C; U-99% 15N]' . . 1 $protein_HNS79c . . 0.5 . . mM . . . . 15314 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15314 2 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 15314 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 15314 2 5 D2O . . . . . . . 100 . . % . . . . 15314 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15314 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 protein_HNS79c '[U-99% 15N]' . . 1 $protein_HNS79c . . 0.5 . . mM . . . . 15314 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15314 3 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 15314 3 4 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 15314 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15314 3 6 D2O . . . . . . . 5 . . % . . . . 15314 3 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 15314 _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' 0.25 . M 15314 1 pH 6.8 0.5 pH 15314 1 pressure 1 . atm 15314 1 temperature 293 0.2 K 15314 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15314 _Software.ID 1 _Software.Name NMRPipe _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15314 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15314 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15314 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15314 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15314 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 15314 _Software.ID 3 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 15314 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15314 3 'structure solution' 15314 3 stop_ save_ save_DISCOVER _Software.Sf_category software _Software.Sf_framecode DISCOVER _Software.Entry_ID 15314 _Software.ID 4 _Software.Name DISCOVER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15314 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'energy minimization' 15314 4 refinement 15314 4 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 15314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'HNC Triple resonance probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15314 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'HNC Triple resonance probe' _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 15314 _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 . 500 'HNC Triple resonance probe' . . 15314 1 2 spectrometer_2 Varian INOVA . 600 'HNC Triple resonance probe' . . 15314 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 15314 _Experiment_list.ID 1 _Experiment_list.Details ; H/D exchange Nhsqc experiments were performed using smaple_2, sample_condiction_2, spectrometer_2 ; 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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 4 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15314 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 9 'Heteronuclear NOE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15314 1 10 'Heteronuclear NOE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 11 'T1 Relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15314 1 12 'T1 Relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 1 13 'T2 Relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15314 1 14 'T2 Relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15314 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 15314 _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 ubiquitin 'methyl carbon' . . . . ppm 56.0 external direct 1 . . . . . . . . . 15314 1 H 1 water protons . . . . ppm 4.8 internal direct 1 . . . . . . . . . 15314 1 N 15 ubiquitin nitrogen . . . . ppm 119.0 external direct 1 . . . . . . . . . 15314 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_assignments_HNS79c _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_HNS79c _Assigned_chem_shift_list.Entry_ID 15314 _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 '3D HNCACB' . . . 15314 1 2 '3D CBCA(CO)NH' . . . 15314 1 3 '3D HCCH-TOCSY' . . . 15314 1 4 '3D CCH-TOCSY' . . . 15314 1 5 '3D 1H-15N TOCSY' . . . 15314 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 PHE HA H 1 6.211 0.03 . 1 . . . . 1 PHE HA . 15314 1 2 . 1 1 1 1 PHE HB2 H 1 2.809 0.03 . 2 . . . . 1 PHE HB1 . 15314 1 3 . 1 1 1 1 PHE HB3 H 1 3.518 0.03 . 2 . . . . 1 PHE HB2 . 15314 1 4 . 1 1 1 1 PHE HD1 H 1 6.774 0.03 . 3 . . . . 1 PHE HD1 . 15314 1 5 . 1 1 1 1 PHE HE1 H 1 7.176 0.03 . 3 . . . . 1 PHE HE1 . 15314 1 6 . 1 1 1 1 PHE HZ H 1 7.082 0.03 . 1 . . . . 1 PHE HZ . 15314 1 7 . 1 1 1 1 PHE C C 13 175.918 0.5 . 1 . . . . 1 PHE C . 15314 1 8 . 1 1 1 1 PHE CA C 13 54.876 0.5 . 1 . . . . 1 PHE CA . 15314 1 9 . 1 1 1 1 PHE CB C 13 42.869 0.5 . 1 . . . . 1 PHE CB . 15314 1 10 . 1 1 1 1 PHE CD1 C 13 130.34 0.5 . 3 . . . . 1 PHE CD1 . 15314 1 11 . 1 1 1 1 PHE CE1 C 13 130.612 0.5 . 3 . . . . 1 PHE CE1 . 15314 1 12 . 1 1 1 1 PHE CZ C 13 124.658 0.5 . 1 . . . . 1 PHE CZ . 15314 1 13 . 1 1 2 2 ASN H H 1 9.438 0.03 . 1 . . . . 2 ASN HN . 15314 1 14 . 1 1 2 2 ASN HA H 1 5.912 0.03 . 1 . . . . 2 ASN HA . 15314 1 15 . 1 1 2 2 ASN HB2 H 1 3.525 0.03 . 2 . . . . 2 ASN HB1 . 15314 1 16 . 1 1 2 2 ASN HB3 H 1 3.229 0.03 . 2 . . . . 2 ASN HB2 . 15314 1 17 . 1 1 2 2 ASN HD21 H 1 7.69 0.03 . 2 . . . . 2 ASN HD21 . 15314 1 18 . 1 1 2 2 ASN HD22 H 1 7.023 0.03 . 2 . . . . 2 ASN HD22 . 15314 1 19 . 1 1 2 2 ASN C C 13 175.436 0.5 . 1 . . . . 2 ASN C . 15314 1 20 . 1 1 2 2 ASN CA C 13 54.299 0.5 . 1 . . . . 2 ASN CA . 15314 1 21 . 1 1 2 2 ASN CB C 13 38.092 0.5 . 1 . . . . 2 ASN CB . 15314 1 22 . 1 1 2 2 ASN N N 15 121.344 0.2 . 1 . . . . 2 ASN N . 15314 1 23 . 1 1 2 2 ASN ND2 N 15 113.894 0.2 . 1 . . . . 2 ASN ND2 . 15314 1 24 . 1 1 3 3 VAL H H 1 8.328 0.03 . 1 . . . . 3 VAL HN . 15314 1 25 . 1 1 3 3 VAL HA H 1 4.161 0.03 . 1 . . . . 3 VAL HA . 15314 1 26 . 1 1 3 3 VAL HB H 1 2.146 0.03 . 1 . . . . 3 VAL HB . 15314 1 27 . 1 1 3 3 VAL HG21 H 1 1.039 0.03 . 2 . . . . 3 VAL HG2 . 15314 1 28 . 1 1 3 3 VAL HG22 H 1 1.039 0.03 . 2 . . . . 3 VAL HG2 . 15314 1 29 . 1 1 3 3 VAL HG23 H 1 1.039 0.03 . 2 . . . . 3 VAL HG2 . 15314 1 30 . 1 1 3 3 VAL C C 13 178.2 0.5 . 1 . . . . 3 VAL C . 15314 1 31 . 1 1 3 3 VAL CA C 13 61.577 0.5 . 1 . . . . 3 VAL CA . 15314 1 32 . 1 1 3 3 VAL CB C 13 32.162 0.5 . 1 . . . . 3 VAL CB . 15314 1 33 . 1 1 3 3 VAL CG2 C 13 21.615 0.5 . 1 . . . . 3 VAL CG2 . 15314 1 34 . 1 1 3 3 VAL N N 15 122.195 0.2 . 1 . . . . 3 VAL N . 15314 1 35 . 1 1 4 4 LYS H H 1 8.474 0.03 . 1 . . . . 4 LYS HN . 15314 1 36 . 1 1 4 4 LYS HA H 1 4.283 0.03 . 1 . . . . 4 LYS HA . 15314 1 37 . 1 1 4 4 LYS HB2 H 1 1.869 0.03 . 2 . . . . 4 LYS HB1 . 15314 1 38 . 1 1 4 4 LYS HB3 H 1 1.869 0.03 . 2 . . . . 4 LYS HB2 . 15314 1 39 . 1 1 4 4 LYS HD2 H 1 1.722 0.03 . 2 . . . . 4 LYS HD1 . 15314 1 40 . 1 1 4 4 LYS HD3 H 1 1.722 0.03 . 2 . . . . 4 LYS HD2 . 15314 1 41 . 1 1 4 4 LYS HE2 H 1 3.284 0.03 . 2 . . . . 4 LYS HE2 . 15314 1 42 . 1 1 4 4 LYS HG2 H 1 1.52 0.03 . 2 . . . . 4 LYS HG1 . 15314 1 43 . 1 1 4 4 LYS HG3 H 1 1.52 0.03 . 2 . . . . 4 LYS HG2 . 15314 1 44 . 1 1 4 4 LYS C C 13 177.509 0.5 . 1 . . . . 4 LYS C . 15314 1 45 . 1 1 4 4 LYS CA C 13 55.197 0.5 . 1 . . . . 4 LYS CA . 15314 1 46 . 1 1 4 4 LYS CB C 13 30.194 0.5 . 1 . . . . 4 LYS CB . 15314 1 47 . 1 1 4 4 LYS N N 15 122.239 0.2 . 1 . . . . 4 LYS N . 15314 1 48 . 1 1 5 5 GLN H H 1 8.507 0.03 . 1 . . . . 5 GLN HN . 15314 1 49 . 1 1 5 5 GLN HA H 1 4.383 0.03 . 1 . . . . 5 GLN HA . 15314 1 50 . 1 1 5 5 GLN HB2 H 1 2.074 0.03 . 2 . . . . 5 GLN HB1 . 15314 1 51 . 1 1 5 5 GLN HB3 H 1 2.074 0.03 . 2 . . . . 5 GLN HB2 . 15314 1 52 . 1 1 5 5 GLN HE21 H 1 7.626 0.03 . 2 . . . . 5 GLN HE21 . 15314 1 53 . 1 1 5 5 GLN HE22 H 1 6.957 0.03 . 2 . . . . 5 GLN HE22 . 15314 1 54 . 1 1 5 5 GLN HG2 H 1 2.388 0.03 . 2 . . . . 5 GLN HG1 . 15314 1 55 . 1 1 5 5 GLN HG3 H 1 2.388 0.03 . 2 . . . . 5 GLN HG2 . 15314 1 56 . 1 1 5 5 GLN C C 13 177.44 0.5 . 1 . . . . 5 GLN C . 15314 1 57 . 1 1 5 5 GLN CA C 13 55.081 0.5 . 1 . . . . 5 GLN CA . 15314 1 58 . 1 1 5 5 GLN CB C 13 29.505 0.5 . 1 . . . . 5 GLN CB . 15314 1 59 . 1 1 5 5 GLN CG C 13 35.426 0.5 . 1 . . . . 5 GLN CG . 15314 1 60 . 1 1 5 5 GLN N N 15 123.847 0.2 . 1 . . . . 5 GLN N . 15314 1 61 . 1 1 5 5 GLN NE2 N 15 113.454 0.2 . 1 . . . . 5 GLN NE2 . 15314 1 62 . 1 1 6 6 LYS H H 1 8.407 0.03 . 1 . . . . 6 LYS HN . 15314 1 63 . 1 1 6 6 LYS HA H 1 4.392 0.03 . 1 . . . . 6 LYS HA . 15314 1 64 . 1 1 6 6 LYS HB2 H 1 1.883 0.03 . 2 . . . . 6 LYS HB1 . 15314 1 65 . 1 1 6 6 LYS HB3 H 1 2.35 0.03 . 2 . . . . 6 LYS HB2 . 15314 1 66 . 1 1 6 6 LYS HD2 H 1 1.844 0.03 . 2 . . . . 6 LYS HD1 . 15314 1 67 . 1 1 6 6 LYS HD3 H 1 1.779 0.03 . 2 . . . . 6 LYS HD2 . 15314 1 68 . 1 1 6 6 LYS HE2 H 1 3.133 0.03 . 2 . . . . 6 LYS HE1 . 15314 1 69 . 1 1 6 6 LYS HE3 H 1 3.133 0.03 . 2 . . . . 6 LYS HE2 . 15314 1 70 . 1 1 6 6 LYS HG2 H 1 1.549 0.03 . 2 . . . . 6 LYS HG1 . 15314 1 71 . 1 1 6 6 LYS HG3 H 1 1.549 0.03 . 2 . . . . 6 LYS HG2 . 15314 1 72 . 1 1 6 6 LYS C C 13 178.373 0.5 . 1 . . . . 6 LYS C . 15314 1 73 . 1 1 6 6 LYS CA C 13 61.491 0.5 . 1 . . . . 6 LYS CA . 15314 1 74 . 1 1 6 6 LYS CB C 13 31.993 0.5 . 1 . . . . 6 LYS CB . 15314 1 75 . 1 1 6 6 LYS CD C 13 27.575 0.5 . 1 . . . . 6 LYS CD . 15314 1 76 . 1 1 6 6 LYS CE C 13 41.166 0.5 . 1 . . . . 6 LYS CE . 15314 1 77 . 1 1 6 6 LYS CG C 13 23.945 0.5 . 1 . . . . 6 LYS CG . 15314 1 78 . 1 1 6 6 LYS N N 15 123.099 0.2 . 1 . . . . 6 LYS N . 15314 1 79 . 1 1 7 7 SER H H 1 8.516 0.03 . 1 . . . . 7 SER HN . 15314 1 80 . 1 1 7 7 SER HA H 1 4.483 0.03 . 1 . . . . 7 SER HA . 15314 1 81 . 1 1 7 7 SER HB2 H 1 3.953 0.03 . 2 . . . . 7 SER HB1 . 15314 1 82 . 1 1 7 7 SER HB3 H 1 3.953 0.03 . 2 . . . . 7 SER HB2 . 15314 1 83 . 1 1 7 7 SER C C 13 175.401 0.5 . 1 . . . . 7 SER C . 15314 1 84 . 1 1 7 7 SER CA C 13 57.37 0.5 . 1 . . . . 7 SER CA . 15314 1 85 . 1 1 7 7 SER CB C 13 62.979 0.5 . 1 . . . . 7 SER CB . 15314 1 86 . 1 1 7 7 SER N N 15 117.184 0.2 . 1 . . . . 7 SER N . 15314 1 87 . 1 1 8 8 GLU H H 1 8.548 0.03 . 1 . . . . 8 GLU HN . 15314 1 88 . 1 1 8 8 GLU HA H 1 4.397 0.03 . 1 . . . . 8 GLU HA . 15314 1 89 . 1 1 8 8 GLU HB2 H 1 2.043 0.03 . 2 . . . . 8 GLU HB1 . 15314 1 90 . 1 1 8 8 GLU HB3 H 1 2.043 0.03 . 2 . . . . 8 GLU HB2 . 15314 1 91 . 1 1 8 8 GLU HG2 H 1 2.323 0.03 . 2 . . . . 8 GLU HG1 . 15314 1 92 . 1 1 8 8 GLU HG3 H 1 2.323 0.03 . 2 . . . . 8 GLU HG2 . 15314 1 93 . 1 1 8 8 GLU C C 13 177.785 0.5 . 1 . . . . 8 GLU C . 15314 1 94 . 1 1 8 8 GLU CA C 13 55.856 0.5 . 1 . . . . 8 GLU CA . 15314 1 95 . 1 1 8 8 GLU CB C 13 29.726 0.5 . 1 . . . . 8 GLU CB . 15314 1 96 . 1 1 8 8 GLU CG C 13 35.51 0.5 . 1 . . . . 8 GLU CG . 15314 1 97 . 1 1 8 8 GLU N N 15 123.697 0.2 . 1 . . . . 8 GLU N . 15314 1 98 . 1 1 9 9 ILE H H 1 8.279 0.03 . 1 . . . . 9 ILE HN . 15314 1 99 . 1 1 9 9 ILE HA H 1 4.276 0.03 . 1 . . . . 9 ILE HA . 15314 1 100 . 1 1 9 9 ILE HB H 1 1.979 0.03 . 1 . . . . 9 ILE HB . 15314 1 101 . 1 1 9 9 ILE HD11 H 1 0.625 0.03 . 1 . . . . 9 ILE HD1 . 15314 1 102 . 1 1 9 9 ILE HD12 H 1 0.625 0.03 . 1 . . . . 9 ILE HD1 . 15314 1 103 . 1 1 9 9 ILE HD13 H 1 0.625 0.03 . 1 . . . . 9 ILE HD1 . 15314 1 104 . 1 1 9 9 ILE HG12 H 1 1.673 0.03 . 1 . . . . 9 ILE HG11 . 15314 1 105 . 1 1 9 9 ILE HG13 H 1 1.228 0.03 . 1 . . . . 9 ILE HG12 . 15314 1 106 . 1 1 9 9 ILE HG21 H 1 0.993 0.03 . 1 . . . . 9 ILE HG2 . 15314 1 107 . 1 1 9 9 ILE HG22 H 1 0.993 0.03 . 1 . . . . 9 ILE HG2 . 15314 1 108 . 1 1 9 9 ILE HG23 H 1 0.993 0.03 . 1 . . . . 9 ILE HG2 . 15314 1 109 . 1 1 9 9 ILE C C 13 177.958 0.5 . 1 . . . . 9 ILE C . 15314 1 110 . 1 1 9 9 ILE CA C 13 60.538 0.5 . 1 . . . . 9 ILE CA . 15314 1 111 . 1 1 9 9 ILE CB C 13 37.725 0.5 . 1 . . . . 9 ILE CB . 15314 1 112 . 1 1 9 9 ILE CD1 C 13 11.705 0.5 . 1 . . . . 9 ILE CD1 . 15314 1 113 . 1 1 9 9 ILE CG1 C 13 28.842 0.5 . 1 . . . . 9 ILE CG1 . 15314 1 114 . 1 1 9 9 ILE CG2 C 13 15.672 0.5 . 1 . . . . 9 ILE CG2 . 15314 1 115 . 1 1 9 9 ILE N N 15 122.616 0.2 . 1 . . . . 9 ILE N . 15314 1 116 . 1 1 10 10 THR H H 1 8.255 0.03 . 1 . . . . 10 THR HN . 15314 1 117 . 1 1 10 10 THR HA H 1 4.592 0.03 . 1 . . . . 10 THR HA . 15314 1 118 . 1 1 10 10 THR HB H 1 4.23 0.03 . 1 . . . . 10 THR HB . 15314 1 119 . 1 1 10 10 THR HG21 H 1 1.31 0.03 . 1 . . . . 10 THR HG2 . 15314 1 120 . 1 1 10 10 THR HG22 H 1 1.31 0.03 . 1 . . . . 10 THR HG2 . 15314 1 121 . 1 1 10 10 THR HG23 H 1 1.31 0.03 . 1 . . . . 10 THR HG2 . 15314 1 122 . 1 1 10 10 THR C C 13 174.993 0.5 . 1 . . . . 10 THR C . 15314 1 123 . 1 1 10 10 THR CA C 13 61.01 0.5 . 1 . . . . 10 THR CA . 15314 1 124 . 1 1 10 10 THR CB C 13 68.505 0.5 . 1 . . . . 10 THR CB . 15314 1 125 . 1 1 10 10 THR CG2 C 13 20.316 0.5 . 1 . . . . 10 THR CG2 . 15314 1 126 . 1 1 10 10 THR N N 15 119.401 0.2 . 1 . . . . 10 THR N . 15314 1 127 . 1 1 11 11 ALA H H 1 8.308 0.03 . 1 . . . . 11 ALA HN . 15314 1 128 . 1 1 11 11 ALA HA H 1 4.4 0.03 . 1 . . . . 11 ALA HA . 15314 1 129 . 1 1 11 11 ALA HB1 H 1 1.449 0.03 . 1 . . . . 11 ALA HB . 15314 1 130 . 1 1 11 11 ALA HB2 H 1 1.449 0.03 . 1 . . . . 11 ALA HB . 15314 1 131 . 1 1 11 11 ALA HB3 H 1 1.449 0.03 . 1 . . . . 11 ALA HB . 15314 1 132 . 1 1 11 11 ALA C C 13 178.822 0.5 . 1 . . . . 11 ALA C . 15314 1 133 . 1 1 11 11 ALA CA C 13 51.438 0.5 . 1 . . . . 11 ALA CA . 15314 1 134 . 1 1 11 11 ALA CB C 13 18.303 0.5 . 1 . . . . 11 ALA CB . 15314 1 135 . 1 1 11 11 ALA N N 15 127.285 0.2 . 1 . . . . 11 ALA N . 15314 1 136 . 1 1 12 12 LEU H H 1 8.228 0.03 . 1 . . . . 12 LEU HN . 15314 1 137 . 1 1 12 12 LEU HA H 1 4.457 0.03 . 1 . . . . 12 LEU HA . 15314 1 138 . 1 1 12 12 LEU HB2 H 1 1.713 0.03 . 2 . . . . 12 LEU HB1 . 15314 1 139 . 1 1 12 12 LEU HB3 H 1 2.04 0.03 . 2 . . . . 12 LEU HB2 . 15314 1 140 . 1 1 12 12 LEU HD11 H 1 0.997 0.03 . 2 . . . . 12 LEU HD1 . 15314 1 141 . 1 1 12 12 LEU HD12 H 1 0.997 0.03 . 2 . . . . 12 LEU HD1 . 15314 1 142 . 1 1 12 12 LEU HD13 H 1 0.997 0.03 . 2 . . . . 12 LEU HD1 . 15314 1 143 . 1 1 12 12 LEU HD21 H 1 0.635 0.03 . 2 . . . . 12 LEU HD2 . 15314 1 144 . 1 1 12 12 LEU HD22 H 1 0.635 0.03 . 2 . . . . 12 LEU HD2 . 15314 1 145 . 1 1 12 12 LEU HD23 H 1 0.635 0.03 . 2 . . . . 12 LEU HD2 . 15314 1 146 . 1 1 12 12 LEU HG H 1 1.363 0.03 . 1 . . . . 12 LEU HG . 15314 1 147 . 1 1 12 12 LEU C C 13 178.787 0.5 . 1 . . . . 12 LEU C . 15314 1 148 . 1 1 12 12 LEU CA C 13 54.261 0.5 . 1 . . . . 12 LEU CA . 15314 1 149 . 1 1 12 12 LEU CB C 13 41.457 0.5 . 1 . . . . 12 LEU CB . 15314 1 150 . 1 1 12 12 LEU CD1 C 13 23.608 0.5 . 1 . . . . 12 LEU CD1 . 15314 1 151 . 1 1 12 12 LEU CG C 13 26.056 0.5 . 1 . . . . 12 LEU CG . 15314 1 152 . 1 1 12 12 LEU N N 15 122.431 0.2 . 1 . . . . 12 LEU N . 15314 1 153 . 1 1 13 13 VAL H H 1 8.171 0.03 . 1 . . . . 13 VAL HN . 15314 1 154 . 1 1 13 13 VAL HA H 1 4.164 0.03 . 1 . . . . 13 VAL HA . 15314 1 155 . 1 1 13 13 VAL HB H 1 2.131 0.03 . 1 . . . . 13 VAL HB . 15314 1 156 . 1 1 13 13 VAL HG21 H 1 1.03 0.03 . 2 . . . . 13 VAL HG2 . 15314 1 157 . 1 1 13 13 VAL HG22 H 1 1.03 0.03 . 2 . . . . 13 VAL HG2 . 15314 1 158 . 1 1 13 13 VAL HG23 H 1 1.03 0.03 . 2 . . . . 13 VAL HG2 . 15314 1 159 . 1 1 13 13 VAL C C 13 177.412 0.5 . 1 . . . . 13 VAL C . 15314 1 160 . 1 1 13 13 VAL CA C 13 61.489 0.5 . 1 . . . . 13 VAL CA . 15314 1 161 . 1 1 13 13 VAL CB C 13 31.791 0.5 . 1 . . . . 13 VAL CB . 15314 1 162 . 1 1 13 13 VAL CG2 C 13 21.497 0.5 . 1 . . . . 13 VAL CG2 . 15314 1 163 . 1 1 13 13 VAL N N 15 122.619 0.2 . 1 . . . . 13 VAL N . 15314 1 164 . 1 1 14 14 LYS H H 1 8.459 0.03 . 1 . . . . 14 LYS HN . 15314 1 165 . 1 1 14 14 LYS HA H 1 4.375 0.03 . 1 . . . . 14 LYS HA . 15314 1 166 . 1 1 14 14 LYS HB2 H 1 1.868 0.03 . 2 . . . . 14 LYS HB1 . 15314 1 167 . 1 1 14 14 LYS HB3 H 1 2.082 0.03 . 2 . . . . 14 LYS HB2 . 15314 1 168 . 1 1 14 14 LYS HD2 H 1 1.756 0.03 . 2 . . . . 14 LYS HD1 . 15314 1 169 . 1 1 14 14 LYS HD3 H 1 1.756 0.03 . 2 . . . . 14 LYS HD2 . 15314 1 170 . 1 1 14 14 LYS HE2 H 1 3.104 0.03 . 2 . . . . 14 LYS HE1 . 15314 1 171 . 1 1 14 14 LYS HE3 H 1 3.104 0.03 . 2 . . . . 14 LYS HE2 . 15314 1 172 . 1 1 14 14 LYS HG2 H 1 1.513 0.03 . 2 . . . . 14 LYS HG1 . 15314 1 173 . 1 1 14 14 LYS HG3 H 1 1.513 0.03 . 2 . . . . 14 LYS HG2 . 15314 1 174 . 1 1 14 14 LYS C C 13 177.509 0.5 . 1 . . . . 14 LYS C . 15314 1 175 . 1 1 14 14 LYS CA C 13 55.532 0.5 . 1 . . . . 14 LYS CA . 15314 1 176 . 1 1 14 14 LYS CB C 13 32.114 0.5 . 1 . . . . 14 LYS CB . 15314 1 177 . 1 1 14 14 LYS CD C 13 28.082 0.5 . 1 . . . . 14 LYS CD . 15314 1 178 . 1 1 14 14 LYS CE C 13 40.829 0.5 . 1 . . . . 14 LYS CE . 15314 1 179 . 1 1 14 14 LYS CG C 13 23.945 0.5 . 1 . . . . 14 LYS CG . 15314 1 180 . 1 1 14 14 LYS N N 15 125.566 0.2 . 1 . . . . 14 LYS N . 15314 1 181 . 1 1 15 15 GLU H H 1 8.434 0.03 . 1 . . . . 15 GLU HN . 15314 1 182 . 1 1 15 15 GLU HA H 1 4.38 0.03 . 1 . . . . 15 GLU HA . 15314 1 183 . 1 1 15 15 GLU HB2 H 1 2.167 0.03 . 2 . . . . 15 GLU HB1 . 15314 1 184 . 1 1 15 15 GLU HB3 H 1 2.167 0.03 . 2 . . . . 15 GLU HB2 . 15314 1 185 . 1 1 15 15 GLU HG2 H 1 2.381 0.03 . 2 . . . . 15 GLU HG1 . 15314 1 186 . 1 1 15 15 GLU HG3 H 1 2.381 0.03 . 2 . . . . 15 GLU HG2 . 15314 1 187 . 1 1 15 15 GLU C C 13 177.44 0.5 . 1 . . . . 15 GLU C . 15314 1 188 . 1 1 15 15 GLU CA C 13 55.302 0.5 . 1 . . . . 15 GLU CA . 15314 1 189 . 1 1 15 15 GLU CB C 13 29.616 0.5 . 1 . . . . 15 GLU CB . 15314 1 190 . 1 1 15 15 GLU N N 15 123.95 0.2 . 1 . . . . 15 GLU N . 15314 1 191 . 1 1 16 16 VAL H H 1 8.326 0.03 . 1 . . . . 16 VAL HN . 15314 1 192 . 1 1 16 16 VAL HA H 1 4.205 0.03 . 1 . . . . 16 VAL HA . 15314 1 193 . 1 1 16 16 VAL HB H 1 2.148 0.03 . 1 . . . . 16 VAL HB . 15314 1 194 . 1 1 16 16 VAL HG21 H 1 1.03 0.03 . 2 . . . . 16 VAL HG2 . 15314 1 195 . 1 1 16 16 VAL HG22 H 1 1.03 0.03 . 2 . . . . 16 VAL HG2 . 15314 1 196 . 1 1 16 16 VAL HG23 H 1 1.03 0.03 . 2 . . . . 16 VAL HG2 . 15314 1 197 . 1 1 16 16 VAL CA C 13 61.613 0.5 . 1 . . . . 16 VAL CA . 15314 1 198 . 1 1 16 16 VAL CB C 13 32.231 0.5 . 1 . . . . 16 VAL CB . 15314 1 199 . 1 1 16 16 VAL N N 15 123.175 0.2 . 1 . . . . 16 VAL N . 15314 1 200 . 1 1 17 17 THR H H 1 8.171 0.03 . 1 . . . . 17 THR HN . 15314 1 201 . 1 1 17 17 THR HA H 1 4.47 0.03 . 1 . . . . 17 THR HA . 15314 1 202 . 1 1 17 17 THR HB H 1 3.976 0.03 . 1 . . . . 17 THR HB . 15314 1 203 . 1 1 17 17 THR HG21 H 1 1.287 0.03 . 1 . . . . 17 THR HG2 . 15314 1 204 . 1 1 17 17 THR HG22 H 1 1.287 0.03 . 1 . . . . 17 THR HG2 . 15314 1 205 . 1 1 17 17 THR HG23 H 1 1.287 0.03 . 1 . . . . 17 THR HG2 . 15314 1 206 . 1 1 17 17 THR CA C 13 57.893 0.5 . 1 . . . . 17 THR CA . 15314 1 207 . 1 1 17 17 THR CB C 13 70.047 0.5 . 1 . . . . 17 THR CB . 15314 1 208 . 1 1 17 17 THR N N 15 119.533 0.2 . 1 . . . . 17 THR N . 15314 1 209 . 1 1 19 19 PRO HA H 1 4.355 0.03 . 1 . . . . 19 PRO HA . 15314 1 210 . 1 1 19 19 PRO HB2 H 1 2.297 0.03 . 2 . . . . 19 PRO HB2 . 15314 1 211 . 1 1 19 19 PRO HG2 H 1 2.041 0.03 . 2 . . . . 19 PRO HG2 . 15314 1 212 . 1 1 19 19 PRO C C 13 177.057 0.5 . 1 . . . . 19 PRO C . 15314 1 213 . 1 1 19 19 PRO CA C 13 61.531 0.5 . 1 . . . . 19 PRO CA . 15314 1 214 . 1 1 19 19 PRO CB C 13 31.869 0.5 . 1 . . . . 19 PRO CB . 15314 1 215 . 1 1 20 20 ARG H H 1 8.435 0.03 . 1 . . . . 20 ARG HN . 15314 1 216 . 1 1 20 20 ARG HA H 1 4.391 0.03 . 1 . . . . 20 ARG HA . 15314 1 217 . 1 1 20 20 ARG HB2 H 1 1.786 0.03 . 2 . . . . 20 ARG HB1 . 15314 1 218 . 1 1 20 20 ARG HB3 H 1 1.83 0.03 . 2 . . . . 20 ARG HB2 . 15314 1 219 . 1 1 20 20 ARG HD2 H 1 3.091 0.03 . 2 . . . . 20 ARG HD1 . 15314 1 220 . 1 1 20 20 ARG HD3 H 1 3.091 0.03 . 2 . . . . 20 ARG HD2 . 15314 1 221 . 1 1 20 20 ARG HG2 H 1 1.534 0.03 . 2 . . . . 20 ARG HG1 . 15314 1 222 . 1 1 20 20 ARG HG3 H 1 1.523 0.03 . 2 . . . . 20 ARG HG2 . 15314 1 223 . 1 1 20 20 ARG C C 13 177.509 0.5 . 1 . . . . 20 ARG C . 15314 1 224 . 1 1 20 20 ARG CA C 13 55.3 0.5 . 1 . . . . 20 ARG CA . 15314 1 225 . 1 1 20 20 ARG CB C 13 32.492 0.5 . 1 . . . . 20 ARG CB . 15314 1 226 . 1 1 20 20 ARG CD C 13 42.56 0.5 . 1 . . . . 20 ARG CD . 15314 1 227 . 1 1 20 20 ARG CG C 13 28.166 0.5 . 1 . . . . 20 ARG CG . 15314 1 228 . 1 1 20 20 ARG N N 15 126.489 0.2 . 1 . . . . 20 ARG N . 15314 1 229 . 1 1 21 21 LYS H H 1 8.426 0.03 . 1 . . . . 21 LYS HN . 15314 1 230 . 1 1 21 21 LYS HA H 1 4.397 0.03 . 1 . . . . 21 LYS HA . 15314 1 231 . 1 1 21 21 LYS HB2 H 1 1.817 0.03 . 2 . . . . 21 LYS HB1 . 15314 1 232 . 1 1 21 21 LYS HB3 H 1 1.943 0.03 . 2 . . . . 21 LYS HB2 . 15314 1 233 . 1 1 21 21 LYS HD2 H 1 1.712 0.03 . 2 . . . . 21 LYS HD1 . 15314 1 234 . 1 1 21 21 LYS HD3 H 1 1.712 0.03 . 2 . . . . 21 LYS HD2 . 15314 1 235 . 1 1 21 21 LYS HE2 H 1 3.229 0.03 . 2 . . . . 21 LYS HE1 . 15314 1 236 . 1 1 21 21 LYS HE3 H 1 3.229 0.03 . 2 . . . . 21 LYS HE2 . 15314 1 237 . 1 1 21 21 LYS HG2 H 1 1.597 0.03 . 2 . . . . 21 LYS HG1 . 15314 1 238 . 1 1 21 21 LYS HG3 H 1 1.597 0.03 . 2 . . . . 21 LYS HG2 . 15314 1 239 . 1 1 21 21 LYS C C 13 177.412 0.5 . 1 . . . . 21 LYS C . 15314 1 240 . 1 1 21 21 LYS CA C 13 55.296 0.5 . 1 . . . . 21 LYS CA . 15314 1 241 . 1 1 21 21 LYS CB C 13 29.837 0.5 . 1 . . . . 21 LYS CB . 15314 1 242 . 1 1 21 21 LYS CD C 13 26.309 0.5 . 1 . . . . 21 LYS CD . 15314 1 243 . 1 1 21 21 LYS CE C 13 39.393 0.5 . 1 . . . . 21 LYS CE . 15314 1 244 . 1 1 21 21 LYS N N 15 123.626 0.2 . 1 . . . . 21 LYS N . 15314 1 245 . 1 1 22 22 ALA H H 1 8.378 0.03 . 1 . . . . 22 ALA HN . 15314 1 246 . 1 1 22 22 ALA HA H 1 4.628 0.03 . 1 . . . . 22 ALA HA . 15314 1 247 . 1 1 22 22 ALA HB1 H 1 1.413 0.03 . 1 . . . . 22 ALA HB . 15314 1 248 . 1 1 22 22 ALA HB2 H 1 1.413 0.03 . 1 . . . . 22 ALA HB . 15314 1 249 . 1 1 22 22 ALA HB3 H 1 1.413 0.03 . 1 . . . . 22 ALA HB . 15314 1 250 . 1 1 22 22 ALA CA C 13 49.376 0.5 . 1 . . . . 22 ALA CA . 15314 1 251 . 1 1 22 22 ALA CB C 13 17.501 0.5 . 1 . . . . 22 ALA CB . 15314 1 252 . 1 1 22 22 ALA N N 15 127.197 0.2 . 1 . . . . 22 ALA N . 15314 1 253 . 1 1 23 23 PRO HA H 1 4.219 0.03 . 1 . . . . 23 PRO HA . 15314 1 254 . 1 1 23 23 PRO HB2 H 1 1.86 0.03 . 2 . . . . 23 PRO HB2 . 15314 1 255 . 1 1 23 23 PRO HD2 H 1 3.78 0.03 . 2 . . . . 23 PRO HD2 . 15314 1 256 . 1 1 23 23 PRO HG2 H 1 1.611 0.03 . 2 . . . . 23 PRO HG2 . 15314 1 257 . 1 1 23 23 PRO C C 13 177.44 0.5 . 1 . . . . 23 PRO C . 15314 1 258 . 1 1 23 23 PRO CA C 13 61.724 0.5 . 1 . . . . 23 PRO CA . 15314 1 259 . 1 1 23 23 PRO CB C 13 32.162 0.5 . 1 . . . . 23 PRO CB . 15314 1 260 . 1 1 24 24 SER H H 1 8.425 0.03 . 1 . . . . 24 SER HN . 15314 1 261 . 1 1 24 24 SER HA H 1 4.344 0.03 . 1 . . . . 24 SER HA . 15314 1 262 . 1 1 24 24 SER HB2 H 1 3.892 0.03 . 2 . . . . 24 SER HB1 . 15314 1 263 . 1 1 24 24 SER HB3 H 1 3.892 0.03 . 2 . . . . 24 SER HB2 . 15314 1 264 . 1 1 24 24 SER C C 13 175.61 0.5 . 1 . . . . 24 SER C . 15314 1 265 . 1 1 24 24 SER CA C 13 58.845 0.5 . 1 . . . . 24 SER CA . 15314 1 266 . 1 1 24 24 SER CB C 13 68.92 0.5 . 1 . . . . 24 SER CB . 15314 1 267 . 1 1 24 24 SER N N 15 122.433 0.2 . 1 . . . . 24 SER N . 15314 1 268 . 1 1 25 25 LYS H H 1 8.323 0.03 . 1 . . . . 25 LYS HN . 15314 1 269 . 1 1 25 25 LYS HA H 1 4.137 0.03 . 1 . . . . 25 LYS HA . 15314 1 270 . 1 1 25 25 LYS HB2 H 1 1.861 0.03 . 2 . . . . 25 LYS HB1 . 15314 1 271 . 1 1 25 25 LYS HB3 H 1 1.985 0.03 . 2 . . . . 25 LYS HB2 . 15314 1 272 . 1 1 25 25 LYS HD2 H 1 1.551 0.03 . 2 . . . . 25 LYS HD1 . 15314 1 273 . 1 1 25 25 LYS HD3 H 1 1.551 0.03 . 2 . . . . 25 LYS HD2 . 15314 1 274 . 1 1 25 25 LYS HG2 H 1 1.507 0.03 . 2 . . . . 25 LYS HG1 . 15314 1 275 . 1 1 25 25 LYS HG3 H 1 1.507 0.03 . 2 . . . . 25 LYS HG2 . 15314 1 276 . 1 1 25 25 LYS C C 13 177.462 0.5 . 1 . . . . 25 LYS C . 15314 1 277 . 1 1 25 25 LYS CA C 13 55.504 0.5 . 1 . . . . 25 LYS CA . 15314 1 278 . 1 1 25 25 LYS CB C 13 32.155 0.5 . 1 . . . . 25 LYS CB . 15314 1 279 . 1 1 25 25 LYS CD C 13 28.504 0.5 . 1 . . . . 25 LYS CD . 15314 1 280 . 1 1 25 25 LYS CG C 13 24.03 0.5 . 1 . . . . 25 LYS CG . 15314 1 281 . 1 1 25 25 LYS N N 15 121.718 0.2 . 1 . . . . 25 LYS N . 15314 1 282 . 1 1 26 26 ALA H H 1 8.333 0.03 . 1 . . . . 26 ALA HN . 15314 1 283 . 1 1 26 26 ALA HA H 1 4.334 0.03 . 1 . . . . 26 ALA HA . 15314 1 284 . 1 1 26 26 ALA HB1 H 1 1.455 0.03 . 1 . . . . 26 ALA HB . 15314 1 285 . 1 1 26 26 ALA HB2 H 1 1.455 0.03 . 1 . . . . 26 ALA HB . 15314 1 286 . 1 1 26 26 ALA HB3 H 1 1.455 0.03 . 1 . . . . 26 ALA HB . 15314 1 287 . 1 1 26 26 ALA CA C 13 51.512 0.5 . 1 . . . . 26 ALA CA . 15314 1 288 . 1 1 26 26 ALA CB C 13 18.486 0.5 . 1 . . . . 26 ALA CB . 15314 1 289 . 1 1 26 26 ALA N N 15 125.817 0.2 . 1 . . . . 26 ALA N . 15314 1 290 . 1 1 27 27 LYS H H 1 8.347 0.03 . 1 . . . . 27 LYS HN . 15314 1 291 . 1 1 27 27 LYS HA H 1 4.354 0.03 . 1 . . . . 27 LYS HA . 15314 1 292 . 1 1 27 27 LYS HB2 H 1 1.877 0.03 . 2 . . . . 27 LYS HB1 . 15314 1 293 . 1 1 27 27 LYS HB3 H 1 1.877 0.03 . 2 . . . . 27 LYS HB2 . 15314 1 294 . 1 1 27 27 LYS HD2 H 1 1.54 0.03 . 2 . . . . 27 LYS HD1 . 15314 1 295 . 1 1 27 27 LYS HD3 H 1 1.54 0.03 . 2 . . . . 27 LYS HD2 . 15314 1 296 . 1 1 27 27 LYS HE2 H 1 3.104 0.03 . 2 . . . . 27 LYS HE1 . 15314 1 297 . 1 1 27 27 LYS HE3 H 1 3.104 0.03 . 2 . . . . 27 LYS HE2 . 15314 1 298 . 1 1 27 27 LYS HG2 H 1 1.494 0.03 . 2 . . . . 27 LYS HG1 . 15314 1 299 . 1 1 27 27 LYS HG3 H 1 1.494 0.03 . 2 . . . . 27 LYS HG2 . 15314 1 300 . 1 1 27 27 LYS C C 13 177.923 0.5 . 1 . . . . 27 LYS C . 15314 1 301 . 1 1 27 27 LYS CA C 13 55.413 0.5 . 1 . . . . 27 LYS CA . 15314 1 302 . 1 1 27 27 LYS CB C 13 32.162 0.5 . 1 . . . . 27 LYS CB . 15314 1 303 . 1 1 27 27 LYS CD C 13 29.686 0.5 . 1 . . . . 27 LYS CD . 15314 1 304 . 1 1 27 27 LYS CE C 13 40.238 0.5 . 1 . . . . 27 LYS CE . 15314 1 305 . 1 1 27 27 LYS CG C 13 24.705 0.5 . 1 . . . . 27 LYS CG . 15314 1 306 . 1 1 27 27 LYS N N 15 121.81 0.2 . 1 . . . . 27 LYS N . 15314 1 307 . 1 1 28 28 ARG H H 1 8.44 0.03 . 1 . . . . 28 ARG HN . 15314 1 308 . 1 1 28 28 ARG HA H 1 4.672 0.03 . 1 . . . . 28 ARG HA . 15314 1 309 . 1 1 28 28 ARG HB2 H 1 2.2 0.03 . 2 . . . . 28 ARG HB1 . 15314 1 310 . 1 1 28 28 ARG HB3 H 1 2.2 0.03 . 2 . . . . 28 ARG HB2 . 15314 1 311 . 1 1 28 28 ARG HD2 H 1 3.287 0.03 . 2 . . . . 28 ARG HD1 . 15314 1 312 . 1 1 28 28 ARG HD3 H 1 3.287 0.03 . 2 . . . . 28 ARG HD2 . 15314 1 313 . 1 1 28 28 ARG HG2 H 1 1.409 0.03 . 2 . . . . 28 ARG HG1 . 15314 1 314 . 1 1 28 28 ARG HG3 H 1 1.409 0.03 . 2 . . . . 28 ARG HG2 . 15314 1 315 . 1 1 28 28 ARG C C 13 177.474 0.5 . 1 . . . . 28 ARG C . 15314 1 316 . 1 1 28 28 ARG CA C 13 55.14 0.5 . 1 . . . . 28 ARG CA . 15314 1 317 . 1 1 28 28 ARG CB C 13 28.508 0.5 . 1 . . . . 28 ARG CB . 15314 1 318 . 1 1 28 28 ARG N N 15 122.679 0.2 . 1 . . . . 28 ARG N . 15314 1 319 . 1 1 29 29 GLU H H 1 8.47 0.03 . 1 . . . . 29 GLU HN . 15314 1 320 . 1 1 29 29 GLU HA H 1 4.391 0.03 . 1 . . . . 29 GLU HA . 15314 1 321 . 1 1 29 29 GLU HB2 H 1 2.127 0.03 . 2 . . . . 29 GLU HB1 . 15314 1 322 . 1 1 29 29 GLU HB3 H 1 2.127 0.03 . 2 . . . . 29 GLU HB2 . 15314 1 323 . 1 1 29 29 GLU HG2 H 1 2.316 0.03 . 2 . . . . 29 GLU HG1 . 15314 1 324 . 1 1 29 29 GLU HG3 H 1 2.316 0.03 . 2 . . . . 29 GLU HG2 . 15314 1 325 . 1 1 29 29 GLU C C 13 177.057 0.5 . 1 . . . . 29 GLU C . 15314 1 326 . 1 1 29 29 GLU CA C 13 55.634 0.5 . 1 . . . . 29 GLU CA . 15314 1 327 . 1 1 29 29 GLU CB C 13 32.461 0.5 . 1 . . . . 29 GLU CB . 15314 1 328 . 1 1 29 29 GLU CG C 13 37.283 0.5 . 1 . . . . 29 GLU CG . 15314 1 329 . 1 1 29 29 GLU N N 15 124.395 0.2 . 1 . . . . 29 GLU N . 15314 1 330 . 1 1 30 30 ALA H H 1 8.485 0.03 . 1 . . . . 30 ALA HN . 15314 1 331 . 1 1 30 30 ALA HA H 1 4.652 0.03 . 1 . . . . 30 ALA HA . 15314 1 332 . 1 1 30 30 ALA HB1 H 1 1.428 0.03 . 1 . . . . 30 ALA HB . 15314 1 333 . 1 1 30 30 ALA HB2 H 1 1.428 0.03 . 1 . . . . 30 ALA HB . 15314 1 334 . 1 1 30 30 ALA HB3 H 1 1.428 0.03 . 1 . . . . 30 ALA HB . 15314 1 335 . 1 1 30 30 ALA CA C 13 49.523 0.5 . 1 . . . . 30 ALA CA . 15314 1 336 . 1 1 30 30 ALA CB C 13 17.328 0.5 . 1 . . . . 30 ALA CB . 15314 1 337 . 1 1 30 30 ALA N N 15 128.118 0.2 . 1 . . . . 30 ALA N . 15314 1 338 . 1 1 31 31 PRO HA H 1 4.44 0.03 . 1 . . . . 31 PRO HA . 15314 1 339 . 1 1 31 31 PRO HB2 H 1 2.3 0.03 . 2 . . . . 31 PRO HB1 . 15314 1 340 . 1 1 31 31 PRO HB3 H 1 2.447 0.03 . 2 . . . . 31 PRO HB2 . 15314 1 341 . 1 1 31 31 PRO HD2 H 1 3.623 0.03 . 2 . . . . 31 PRO HD1 . 15314 1 342 . 1 1 31 31 PRO HD3 H 1 3.623 0.03 . 2 . . . . 31 PRO HD2 . 15314 1 343 . 1 1 31 31 PRO HG2 H 1 2.018 0.03 . 2 . . . . 31 PRO HG1 . 15314 1 344 . 1 1 31 31 PRO HG3 H 1 2.018 0.03 . 2 . . . . 31 PRO HG2 . 15314 1 345 . 1 1 31 31 PRO C C 13 177.612 0.5 . 1 . . . . 31 PRO C . 15314 1 346 . 1 1 31 31 PRO CA C 13 61.605 0.5 . 1 . . . . 31 PRO CA . 15314 1 347 . 1 1 31 31 PRO CB C 13 31.616 0.5 . 1 . . . . 31 PRO CB . 15314 1 348 . 1 1 32 32 ILE H H 1 8.202 0.03 . 1 . . . . 32 ILE HN . 15314 1 349 . 1 1 32 32 ILE HA H 1 3.503 0.03 . 1 . . . . 32 ILE HA . 15314 1 350 . 1 1 32 32 ILE HB H 1 1.408 0.03 . 1 . . . . 32 ILE HB . 15314 1 351 . 1 1 32 32 ILE HD11 H 1 0.609 0.03 . 1 . . . . 32 ILE HD1 . 15314 1 352 . 1 1 32 32 ILE HD12 H 1 0.609 0.03 . 1 . . . . 32 ILE HD1 . 15314 1 353 . 1 1 32 32 ILE HD13 H 1 0.609 0.03 . 1 . . . . 32 ILE HD1 . 15314 1 354 . 1 1 32 32 ILE HG12 H 1 0.99 0.03 . 1 . . . . 32 ILE HG11 . 15314 1 355 . 1 1 32 32 ILE HG13 H 1 0.99 0.03 . 1 . . . . 32 ILE HG12 . 15314 1 356 . 1 1 32 32 ILE HG21 H 1 0.32 0.03 . 1 . . . . 32 ILE HG2 . 15314 1 357 . 1 1 32 32 ILE HG22 H 1 0.32 0.03 . 1 . . . . 32 ILE HG2 . 15314 1 358 . 1 1 32 32 ILE HG23 H 1 0.32 0.03 . 1 . . . . 32 ILE HG2 . 15314 1 359 . 1 1 32 32 ILE C C 13 176.061 0.5 . 1 . . . . 32 ILE C . 15314 1 360 . 1 1 32 32 ILE CA C 13 60.929 0.5 . 1 . . . . 32 ILE CA . 15314 1 361 . 1 1 32 32 ILE CB C 13 37.219 0.5 . 1 . . . . 32 ILE CB . 15314 1 362 . 1 1 32 32 ILE CD1 C 13 11.199 0.5 . 1 . . . . 32 ILE CD1 . 15314 1 363 . 1 1 32 32 ILE CG1 C 13 26.478 0.5 . 1 . . . . 32 ILE CG1 . 15314 1 364 . 1 1 32 32 ILE CG2 C 13 18.036 0.5 . 1 . . . . 32 ILE CG2 . 15314 1 365 . 1 1 32 32 ILE N N 15 121.27 0.2 . 1 . . . . 32 ILE N . 15314 1 366 . 1 1 33 33 LYS H H 1 7.434 0.03 . 1 . . . . 33 LYS HN . 15314 1 367 . 1 1 33 33 LYS HA H 1 4.37 0.03 . 1 . . . . 33 LYS HA . 15314 1 368 . 1 1 33 33 LYS HB2 H 1 1.939 0.03 . 2 . . . . 33 LYS HB1 . 15314 1 369 . 1 1 33 33 LYS HB3 H 1 1.939 0.03 . 2 . . . . 33 LYS HB2 . 15314 1 370 . 1 1 33 33 LYS HD2 H 1 1.511 0.03 . 2 . . . . 33 LYS HD1 . 15314 1 371 . 1 1 33 33 LYS HD3 H 1 1.511 0.03 . 2 . . . . 33 LYS HD2 . 15314 1 372 . 1 1 33 33 LYS HE2 H 1 3 0.03 . 2 . . . . 33 LYS HE1 . 15314 1 373 . 1 1 33 33 LYS HE3 H 1 3 0.03 . 2 . . . . 33 LYS HE2 . 15314 1 374 . 1 1 33 33 LYS HG2 H 1 1.208 0.03 . 2 . . . . 33 LYS HG1 . 15314 1 375 . 1 1 33 33 LYS HG3 H 1 1.208 0.03 . 2 . . . . 33 LYS HG2 . 15314 1 376 . 1 1 33 33 LYS C C 13 176.96 0.5 . 1 . . . . 33 LYS C . 15314 1 377 . 1 1 33 33 LYS CA C 13 56.553 0.5 . 1 . . . . 33 LYS CA . 15314 1 378 . 1 1 33 33 LYS CB C 13 35.043 0.5 . 1 . . . . 33 LYS CB . 15314 1 379 . 1 1 33 33 LYS CD C 13 28.082 0.5 . 1 . . . . 33 LYS CD . 15314 1 380 . 1 1 33 33 LYS CE C 13 42.264 0.5 . 1 . . . . 33 LYS CE . 15314 1 381 . 1 1 33 33 LYS CG C 13 23.945 0.5 . 1 . . . . 33 LYS CG . 15314 1 382 . 1 1 33 33 LYS N N 15 126.133 0.2 . 1 . . . . 33 LYS N . 15314 1 383 . 1 1 34 34 TYR H H 1 7.974 0.03 . 1 . . . . 34 TYR HN . 15314 1 384 . 1 1 34 34 TYR HA H 1 4.551 0.03 . 1 . . . . 34 TYR HA . 15314 1 385 . 1 1 34 34 TYR HB2 H 1 3.08 0.03 . 2 . . . . 34 TYR HB1 . 15314 1 386 . 1 1 34 34 TYR HB3 H 1 3.08 0.03 . 2 . . . . 34 TYR HB2 . 15314 1 387 . 1 1 34 34 TYR HD1 H 1 6.994 0.03 . 3 . . . . 34 TYR HD1 . 15314 1 388 . 1 1 34 34 TYR HE1 H 1 7 0.03 . 3 . . . . 34 TYR HE1 . 15314 1 389 . 1 1 34 34 TYR CA C 13 57.337 0.5 . 1 . . . . 34 TYR CA . 15314 1 390 . 1 1 34 34 TYR CB C 13 38.051 0.5 . 1 . . . . 34 TYR CB . 15314 1 391 . 1 1 34 34 TYR CD1 C 13 132.952 0.5 . 3 . . . . 34 TYR CD1 . 15314 1 392 . 1 1 34 34 TYR CE1 C 13 117.013 0.5 . 3 . . . . 34 TYR CE1 . 15314 1 393 . 1 1 34 34 TYR N N 15 121.936 0.2 . 1 . . . . 34 TYR N . 15314 1 394 . 1 1 35 35 TRP H H 1 7.912 0.03 . 1 . . . . 35 TRP HN . 15314 1 395 . 1 1 35 35 TRP HA H 1 4.687 0.03 . 1 . . . . 35 TRP HA . 15314 1 396 . 1 1 35 35 TRP HB2 H 1 3.243 0.03 . 2 . . . . 35 TRP HB1 . 15314 1 397 . 1 1 35 35 TRP HB3 H 1 3.243 0.03 . 2 . . . . 35 TRP HB2 . 15314 1 398 . 1 1 35 35 TRP HE1 H 1 9.979 0.03 . 1 . . . . 35 TRP HE1 . 15314 1 399 . 1 1 35 35 TRP HE3 H 1 7.41 0.03 . 1 . . . . 35 TRP HE3 . 15314 1 400 . 1 1 35 35 TRP HH2 H 1 6.774 0.03 . 1 . . . . 35 TRP HH2 . 15314 1 401 . 1 1 35 35 TRP HZ2 H 1 7.201 0.03 . 1 . . . . 35 TRP HZ2 . 15314 1 402 . 1 1 35 35 TRP HZ3 H 1 6.046 0.03 . 1 . . . . 35 TRP HZ3 . 15314 1 403 . 1 1 35 35 TRP C C 13 171.862 0.5 . 1 . . . . 35 TRP C . 15314 1 404 . 1 1 35 35 TRP CA C 13 56.72 0.5 . 1 . . . . 35 TRP CA . 15314 1 405 . 1 1 35 35 TRP CB C 13 28.638 0.5 . 1 . . . . 35 TRP CB . 15314 1 406 . 1 1 35 35 TRP CE3 C 13 119.309 0.5 . 1 . . . . 35 TRP CE3 . 15314 1 407 . 1 1 35 35 TRP CH2 C 13 130.34 0.5 . 1 . . . . 35 TRP CH2 . 15314 1 408 . 1 1 35 35 TRP CZ2 C 13 115.072 0.5 . 1 . . . . 35 TRP CZ2 . 15314 1 409 . 1 1 35 35 TRP CZ3 C 13 129.419 0.5 . 1 . . . . 35 TRP CZ3 . 15314 1 410 . 1 1 35 35 TRP N N 15 122.844 0.2 . 1 . . . . 35 TRP N . 15314 1 411 . 1 1 35 35 TRP NE1 N 15 131.265 0.2 . 1 . . . . 35 TRP NE1 . 15314 1 412 . 1 1 36 36 LEU H H 1 7.598 0.03 . 1 . . . . 36 LEU HN . 15314 1 413 . 1 1 36 36 LEU HA H 1 4.028 0.03 . 1 . . . . 36 LEU HA . 15314 1 414 . 1 1 36 36 LEU HB2 H 1 1.046 0.03 . 2 . . . . 36 LEU HB1 . 15314 1 415 . 1 1 36 36 LEU HB3 H 1 1.508 0.03 . 2 . . . . 36 LEU HB2 . 15314 1 416 . 1 1 36 36 LEU HD11 H 1 -0.223 0.03 . 2 . . . . 36 LEU HD1 . 15314 1 417 . 1 1 36 36 LEU HD12 H 1 -0.223 0.03 . 2 . . . . 36 LEU HD1 . 15314 1 418 . 1 1 36 36 LEU HD13 H 1 -0.223 0.03 . 2 . . . . 36 LEU HD1 . 15314 1 419 . 1 1 36 36 LEU HD21 H 1 -0.47 0.03 . 2 . . . . 36 LEU HD2 . 15314 1 420 . 1 1 36 36 LEU HD22 H 1 -0.47 0.03 . 2 . . . . 36 LEU HD2 . 15314 1 421 . 1 1 36 36 LEU HD23 H 1 -0.47 0.03 . 2 . . . . 36 LEU HD2 . 15314 1 422 . 1 1 36 36 LEU HG H 1 0.008 0.03 . 1 . . . . 36 LEU HG . 15314 1 423 . 1 1 36 36 LEU CA C 13 47.586 0.5 . 1 . . . . 36 LEU CA . 15314 1 424 . 1 1 36 36 LEU CB C 13 39.448 0.5 . 1 . . . . 36 LEU CB . 15314 1 425 . 1 1 36 36 LEU CD1 C 13 24.452 0.5 . 1 . . . . 36 LEU CD1 . 15314 1 426 . 1 1 36 36 LEU CD2 C 13 21.714 0.5 . 1 . . . . 36 LEU CD2 . 15314 1 427 . 1 1 36 36 LEU CG C 13 24.452 0.5 . 1 . . . . 36 LEU CG . 15314 1 428 . 1 1 36 36 LEU N N 15 117.117 0.2 . 1 . . . . 36 LEU N . 15314 1 429 . 1 1 37 37 PRO HA H 1 4.34 0.03 . 1 . . . . 37 PRO HA . 15314 1 430 . 1 1 37 37 PRO HB2 H 1 2.294 0.03 . 2 . . . . 37 PRO HB1 . 15314 1 431 . 1 1 37 37 PRO HB3 H 1 2.294 0.03 . 2 . . . . 37 PRO HB2 . 15314 1 432 . 1 1 37 37 PRO HD2 H 1 3.626 0.03 . 2 . . . . 37 PRO HD1 . 15314 1 433 . 1 1 37 37 PRO HD3 H 1 3.626 0.03 . 2 . . . . 37 PRO HD2 . 15314 1 434 . 1 1 37 37 PRO HG2 H 1 2.117 0.03 . 2 . . . . 37 PRO HG1 . 15314 1 435 . 1 1 37 37 PRO HG3 H 1 2.117 0.03 . 2 . . . . 37 PRO HG2 . 15314 1 436 . 1 1 37 37 PRO C C 13 175.85 0.5 . 1 . . . . 37 PRO C . 15314 1 437 . 1 1 37 37 PRO CA C 13 62.513 0.5 . 1 . . . . 37 PRO CA . 15314 1 438 . 1 1 37 37 PRO CB C 13 31.51 0.5 . 1 . . . . 37 PRO CB . 15314 1 439 . 1 1 38 38 HIS H H 1 7.704 0.03 . 1 . . . . 38 HIS HN . 15314 1 440 . 1 1 38 38 HIS HA H 1 4.366 0.03 . 1 . . . . 38 HIS HA . 15314 1 441 . 1 1 38 38 HIS HB2 H 1 2.992 0.03 . 2 . . . . 38 HIS HB1 . 15314 1 442 . 1 1 38 38 HIS HB3 H 1 3.163 0.03 . 2 . . . . 38 HIS HB2 . 15314 1 443 . 1 1 38 38 HIS HD2 H 1 8.728 0.03 . 1 . . . . 38 HIS HD2 . 15314 1 444 . 1 1 38 38 HIS HE1 H 1 7.345 0.03 . 1 . . . . 38 HIS HE1 . 15314 1 445 . 1 1 38 38 HIS C C 13 176.772 0.5 . 1 . . . . 38 HIS C . 15314 1 446 . 1 1 38 38 HIS CA C 13 56.604 0.5 . 1 . . . . 38 HIS CA . 15314 1 447 . 1 1 38 38 HIS CB C 13 28.736 0.5 . 1 . . . . 38 HIS CB . 15314 1 448 . 1 1 38 38 HIS CD2 C 13 134.413 0.5 . 1 . . . . 38 HIS CD2 . 15314 1 449 . 1 1 38 38 HIS CE1 C 13 130.921 0.5 . 1 . . . . 38 HIS CE1 . 15314 1 450 . 1 1 38 38 HIS N N 15 111.845 0.2 . 1 . . . . 38 HIS N . 15314 1 451 . 1 1 39 39 SER H H 1 6.451 0.03 . 1 . . . . 39 SER HN . 15314 1 452 . 1 1 39 39 SER HA H 1 4.62 0.03 . 1 . . . . 39 SER HA . 15314 1 453 . 1 1 39 39 SER HB2 H 1 3.844 0.03 . 2 . . . . 39 SER HB1 . 15314 1 454 . 1 1 39 39 SER HB3 H 1 3.844 0.03 . 2 . . . . 39 SER HB2 . 15314 1 455 . 1 1 39 39 SER C C 13 176.576 0.5 . 1 . . . . 39 SER C . 15314 1 456 . 1 1 39 39 SER CA C 13 56.604 0.5 . 1 . . . . 39 SER CA . 15314 1 457 . 1 1 39 39 SER CB C 13 65.579 0.5 . 1 . . . . 39 SER CB . 15314 1 458 . 1 1 39 39 SER N N 15 113.386 0.2 . 1 . . . . 39 SER N . 15314 1 459 . 1 1 40 40 GLY H H 1 8.42 0.03 . 1 . . . . 40 GLY HN . 15314 1 460 . 1 1 40 40 GLY HA2 H 1 4.346 0.03 . 2 . . . . 40 GLY HA1 . 15314 1 461 . 1 1 40 40 GLY HA3 H 1 3.741 0.03 . 2 . . . . 40 GLY HA2 . 15314 1 462 . 1 1 40 40 GLY C C 13 176.997 0.5 . 1 . . . . 40 GLY C . 15314 1 463 . 1 1 40 40 GLY CA C 13 44.153 0.5 . 1 . . . . 40 GLY CA . 15314 1 464 . 1 1 40 40 GLY N N 15 113.16 0.2 . 1 . . . . 40 GLY N . 15314 1 465 . 1 1 41 41 ALA H H 1 7.187 0.03 . 1 . . . . 41 ALA HN . 15314 1 466 . 1 1 41 41 ALA HA H 1 4.397 0.03 . 1 . . . . 41 ALA HA . 15314 1 467 . 1 1 41 41 ALA HB1 H 1 1.204 0.03 . 1 . . . . 41 ALA HB . 15314 1 468 . 1 1 41 41 ALA HB2 H 1 1.204 0.03 . 1 . . . . 41 ALA HB . 15314 1 469 . 1 1 41 41 ALA HB3 H 1 1.204 0.03 . 1 . . . . 41 ALA HB . 15314 1 470 . 1 1 41 41 ALA C C 13 177.989 0.5 . 1 . . . . 41 ALA C . 15314 1 471 . 1 1 41 41 ALA CA C 13 51.533 0.5 . 1 . . . . 41 ALA CA . 15314 1 472 . 1 1 41 41 ALA CB C 13 17.99 0.5 . 1 . . . . 41 ALA CB . 15314 1 473 . 1 1 41 41 ALA N N 15 123.786 0.2 . 1 . . . . 41 ALA N . 15314 1 474 . 1 1 42 42 THR H H 1 8.358 0.03 . 1 . . . . 42 THR HN . 15314 1 475 . 1 1 42 42 THR HA H 1 5.612 0.03 . 1 . . . . 42 THR HA . 15314 1 476 . 1 1 42 42 THR HB H 1 4.232 0.03 . 1 . . . . 42 THR HB . 15314 1 477 . 1 1 42 42 THR HG21 H 1 1.23 0.03 . 1 . . . . 42 THR HG2 . 15314 1 478 . 1 1 42 42 THR HG22 H 1 1.23 0.03 . 1 . . . . 42 THR HG2 . 15314 1 479 . 1 1 42 42 THR HG23 H 1 1.23 0.03 . 1 . . . . 42 THR HG2 . 15314 1 480 . 1 1 42 42 THR C C 13 175.505 0.5 . 1 . . . . 42 THR C . 15314 1 481 . 1 1 42 42 THR CA C 13 58.816 0.5 . 1 . . . . 42 THR CA . 15314 1 482 . 1 1 42 42 THR CB C 13 71.944 0.5 . 1 . . . . 42 THR CB . 15314 1 483 . 1 1 42 42 THR CG2 C 13 21.328 0.5 . 1 . . . . 42 THR CG2 . 15314 1 484 . 1 1 42 42 THR N N 15 108.609 0.2 . 1 . . . . 42 THR N . 15314 1 485 . 1 1 43 43 TRP H H 1 8.625 0.03 . 1 . . . . 43 TRP HN . 15314 1 486 . 1 1 43 43 TRP HA H 1 5.338 0.03 . 1 . . . . 43 TRP HA . 15314 1 487 . 1 1 43 43 TRP HB2 H 1 2.233 0.03 . 2 . . . . 43 TRP HB1 . 15314 1 488 . 1 1 43 43 TRP HB3 H 1 2.327 0.03 . 2 . . . . 43 TRP HB2 . 15314 1 489 . 1 1 43 43 TRP HE1 H 1 9.853 0.03 . 1 . . . . 43 TRP HE1 . 15314 1 490 . 1 1 43 43 TRP HE3 H 1 7.408 0.03 . 1 . . . . 43 TRP HE3 . 15314 1 491 . 1 1 43 43 TRP HH2 H 1 7.305 0.03 . 1 . . . . 43 TRP HH2 . 15314 1 492 . 1 1 43 43 TRP HZ2 H 1 7.55 0.03 . 1 . . . . 43 TRP HZ2 . 15314 1 493 . 1 1 43 43 TRP HZ3 H 1 6.898 0.03 . 1 . . . . 43 TRP HZ3 . 15314 1 494 . 1 1 43 43 TRP C C 13 177.892 0.5 . 1 . . . . 43 TRP C . 15314 1 495 . 1 1 43 43 TRP CA C 13 54.345 0.5 . 1 . . . . 43 TRP CA . 15314 1 496 . 1 1 43 43 TRP CB C 13 31.571 0.5 . 1 . . . . 43 TRP CB . 15314 1 497 . 1 1 43 43 TRP CE3 C 13 119.101 0.5 . 1 . . . . 43 TRP CE3 . 15314 1 498 . 1 1 43 43 TRP CH2 C 13 123.955 0.5 . 1 . . . . 43 TRP CH2 . 15314 1 499 . 1 1 43 43 TRP CZ2 C 13 113.347 0.5 . 1 . . . . 43 TRP CZ2 . 15314 1 500 . 1 1 43 43 TRP CZ3 C 13 121.606 0.5 . 1 . . . . 43 TRP CZ3 . 15314 1 501 . 1 1 43 43 TRP N N 15 117.778 0.2 . 1 . . . . 43 TRP N . 15314 1 502 . 1 1 43 43 TRP NE1 N 15 131.151 0.2 . 1 . . . . 43 TRP NE1 . 15314 1 503 . 1 1 44 44 SER H H 1 8.451 0.03 . 1 . . . . 44 SER HN . 15314 1 504 . 1 1 44 44 SER HA H 1 4.498 0.03 . 1 . . . . 44 SER HA . 15314 1 505 . 1 1 44 44 SER HB2 H 1 3.946 0.03 . 2 . . . . 44 SER HB1 . 15314 1 506 . 1 1 44 44 SER HB3 H 1 3.946 0.03 . 2 . . . . 44 SER HB2 . 15314 1 507 . 1 1 44 44 SER C C 13 175.85 0.5 . 1 . . . . 44 SER C . 15314 1 508 . 1 1 44 44 SER CA C 13 57.363 0.5 . 1 . . . . 44 SER CA . 15314 1 509 . 1 1 44 44 SER CB C 13 62.55 0.5 . 1 . . . . 44 SER CB . 15314 1 510 . 1 1 44 44 SER N N 15 117.818 0.2 . 1 . . . . 44 SER N . 15314 1 511 . 1 1 45 45 GLY H H 1 7.513 0.03 . 1 . . . . 45 GLY HN . 15314 1 512 . 1 1 45 45 GLY HA2 H 1 4.344 0.03 . 2 . . . . 45 GLY HA1 . 15314 1 513 . 1 1 45 45 GLY HA3 H 1 3.775 0.03 . 2 . . . . 45 GLY HA2 . 15314 1 514 . 1 1 45 45 GLY C C 13 172.858 0.5 . 1 . . . . 45 GLY C . 15314 1 515 . 1 1 45 45 GLY CA C 13 44.312 0.5 . 1 . . . . 45 GLY CA . 15314 1 516 . 1 1 45 45 GLY N N 15 111.146 0.2 . 1 . . . . 45 GLY N . 15314 1 517 . 1 1 46 46 ARG H H 1 8.534 0.03 . 1 . . . . 46 ARG HN . 15314 1 518 . 1 1 46 46 ARG HA H 1 4.632 0.03 . 1 . . . . 46 ARG HA . 15314 1 519 . 1 1 46 46 ARG HB2 H 1 1.713 0.03 . 2 . . . . 46 ARG HB1 . 15314 1 520 . 1 1 46 46 ARG HB3 H 1 1.905 0.03 . 2 . . . . 46 ARG HB2 . 15314 1 521 . 1 1 46 46 ARG HD2 H 1 3.179 0.03 . 2 . . . . 46 ARG HD1 . 15314 1 522 . 1 1 46 46 ARG HD3 H 1 3.179 0.03 . 2 . . . . 46 ARG HD2 . 15314 1 523 . 1 1 46 46 ARG HG2 H 1 1.484 0.03 . 2 . . . . 46 ARG HG1 . 15314 1 524 . 1 1 46 46 ARG HG3 H 1 1.484 0.03 . 2 . . . . 46 ARG HG2 . 15314 1 525 . 1 1 46 46 ARG C C 13 177.983 0.5 . 1 . . . . 46 ARG C . 15314 1 526 . 1 1 46 46 ARG CA C 13 53.53 0.5 . 1 . . . . 46 ARG CA . 15314 1 527 . 1 1 46 46 ARG CB C 13 31.064 0.5 . 1 . . . . 46 ARG CB . 15314 1 528 . 1 1 46 46 ARG CD C 13 42.01 0.5 . 1 . . . . 46 ARG CD . 15314 1 529 . 1 1 46 46 ARG CG C 13 26.14 0.5 . 1 . . . . 46 ARG CG . 15314 1 530 . 1 1 46 46 ARG N N 15 120.921 0.2 . 1 . . . . 46 ARG N . 15314 1 531 . 1 1 47 47 GLY H H 1 8.864 0.03 . 1 . . . . 47 GLY HN . 15314 1 532 . 1 1 47 47 GLY HA2 H 1 3.919 0.03 . 2 . . . . 47 GLY HA1 . 15314 1 533 . 1 1 47 47 GLY HA3 H 1 4.336 0.03 . 2 . . . . 47 GLY HA2 . 15314 1 534 . 1 1 47 47 GLY C C 13 177.44 0.5 . 1 . . . . 47 GLY C . 15314 1 535 . 1 1 47 47 GLY CA C 13 44.06 0.5 . 1 . . . . 47 GLY CA . 15314 1 536 . 1 1 47 47 GLY N N 15 111.872 0.2 . 1 . . . . 47 GLY N . 15314 1 537 . 1 1 48 48 LYS H H 1 7.752 0.03 . 1 . . . . 48 LYS HN . 15314 1 538 . 1 1 48 48 LYS HA H 1 4.274 0.03 . 1 . . . . 48 LYS HA . 15314 1 539 . 1 1 48 48 LYS HB2 H 1 1.763 0.03 . 2 . . . . 48 LYS HB1 . 15314 1 540 . 1 1 48 48 LYS HB3 H 1 1.763 0.03 . 2 . . . . 48 LYS HB2 . 15314 1 541 . 1 1 48 48 LYS HD2 H 1 1.497 0.03 . 2 . . . . 48 LYS HD1 . 15314 1 542 . 1 1 48 48 LYS HD3 H 1 1.497 0.03 . 2 . . . . 48 LYS HD2 . 15314 1 543 . 1 1 48 48 LYS HE2 H 1 3.243 0.03 . 2 . . . . 48 LYS HE1 . 15314 1 544 . 1 1 48 48 LYS HE3 H 1 3.243 0.03 . 2 . . . . 48 LYS HE2 . 15314 1 545 . 1 1 48 48 LYS HG2 H 1 1.324 0.03 . 2 . . . . 48 LYS HG1 . 15314 1 546 . 1 1 48 48 LYS HG3 H 1 1.324 0.03 . 2 . . . . 48 LYS HG2 . 15314 1 547 . 1 1 48 48 LYS C C 13 178.053 0.5 . 1 . . . . 48 LYS C . 15314 1 548 . 1 1 48 48 LYS CA C 13 55.302 0.5 . 1 . . . . 48 LYS CA . 15314 1 549 . 1 1 48 48 LYS CB C 13 32.162 0.5 . 1 . . . . 48 LYS CB . 15314 1 550 . 1 1 48 48 LYS N N 15 125.971 0.2 . 1 . . . . 48 LYS N . 15314 1 551 . 1 1 49 49 ILE H H 1 8.236 0.03 . 1 . . . . 49 ILE HN . 15314 1 552 . 1 1 49 49 ILE HA H 1 2.797 0.03 . 1 . . . . 49 ILE HA . 15314 1 553 . 1 1 49 49 ILE HB H 1 1.578 0.03 . 1 . . . . 49 ILE HB . 15314 1 554 . 1 1 49 49 ILE HD11 H 1 0.707 0.03 . 1 . . . . 49 ILE HD1 . 15314 1 555 . 1 1 49 49 ILE HD12 H 1 0.707 0.03 . 1 . . . . 49 ILE HD1 . 15314 1 556 . 1 1 49 49 ILE HD13 H 1 0.707 0.03 . 1 . . . . 49 ILE HD1 . 15314 1 557 . 1 1 49 49 ILE HG12 H 1 1.095 0.03 . 1 . . . . 49 ILE HG11 . 15314 1 558 . 1 1 49 49 ILE HG13 H 1 1.095 0.03 . 1 . . . . 49 ILE HG12 . 15314 1 559 . 1 1 49 49 ILE HG21 H 1 0.315 0.03 . 1 . . . . 49 ILE HG2 . 15314 1 560 . 1 1 49 49 ILE HG22 H 1 0.315 0.03 . 1 . . . . 49 ILE HG2 . 15314 1 561 . 1 1 49 49 ILE HG23 H 1 0.315 0.03 . 1 . . . . 49 ILE HG2 . 15314 1 562 . 1 1 49 49 ILE CA C 13 58.222 0.5 . 1 . . . . 49 ILE CA . 15314 1 563 . 1 1 49 49 ILE CB C 13 37.578 0.5 . 1 . . . . 49 ILE CB . 15314 1 564 . 1 1 49 49 ILE CD1 C 13 12.887 0.5 . 1 . . . . 49 ILE CD1 . 15314 1 565 . 1 1 49 49 ILE CG1 C 13 27.575 0.5 . 1 . . . . 49 ILE CG1 . 15314 1 566 . 1 1 49 49 ILE CG2 C 13 17.879 0.5 . 1 . . . . 49 ILE CG2 . 15314 1 567 . 1 1 49 49 ILE N N 15 126.182 0.2 . 1 . . . . 49 ILE N . 15314 1 568 . 1 1 50 50 PRO HA H 1 4.344 0.03 . 1 . . . . 50 PRO HA . 15314 1 569 . 1 1 50 50 PRO HB2 H 1 1.912 0.03 . 2 . . . . 50 PRO HB2 . 15314 1 570 . 1 1 50 50 PRO HD2 H 1 3.808 0.03 . 2 . . . . 50 PRO HD2 . 15314 1 571 . 1 1 50 50 PRO C C 13 178.547 0.5 . 1 . . . . 50 PRO C . 15314 1 572 . 1 1 50 50 PRO CA C 13 60.998 0.5 . 1 . . . . 50 PRO CA . 15314 1 573 . 1 1 50 50 PRO CB C 13 32.796 0.5 . 1 . . . . 50 PRO CB . 15314 1 574 . 1 1 50 50 PRO CD C 13 49.7 0.5 . 1 . . . . 50 PRO CD . 15314 1 575 . 1 1 51 51 LYS H H 1 9.065 0.03 . 1 . . . . 51 LYS HN . 15314 1 576 . 1 1 51 51 LYS HA H 1 4.87 0.03 . 1 . . . . 51 LYS HA . 15314 1 577 . 1 1 51 51 LYS HB2 H 1 1.689 0.03 . 2 . . . . 51 LYS HB1 . 15314 1 578 . 1 1 51 51 LYS HB3 H 1 1.689 0.03 . 2 . . . . 51 LYS HB2 . 15314 1 579 . 1 1 51 51 LYS HE2 H 1 2.776 0.03 . 2 . . . . 51 LYS HE1 . 15314 1 580 . 1 1 51 51 LYS HE3 H 1 2.875 0.03 . 2 . . . . 51 LYS HE2 . 15314 1 581 . 1 1 51 51 LYS CA C 13 59.788 0.5 . 1 . . . . 51 LYS CA . 15314 1 582 . 1 1 51 51 LYS CB C 13 28.838 0.5 . 1 . . . . 51 LYS CB . 15314 1 583 . 1 1 51 51 LYS N N 15 125.299 0.2 . 1 . . . . 51 LYS N . 15314 1 584 . 1 1 52 52 PRO HA H 1 4.391 0.03 . 1 . . . . 52 PRO HA . 15314 1 585 . 1 1 52 52 PRO HB2 H 1 2.31 0.03 . 2 . . . . 52 PRO HB1 . 15314 1 586 . 1 1 52 52 PRO HB3 H 1 2.31 0.03 . 2 . . . . 52 PRO HB2 . 15314 1 587 . 1 1 52 52 PRO HD2 H 1 3.8 0.03 . 2 . . . . 52 PRO HD1 . 15314 1 588 . 1 1 52 52 PRO HD3 H 1 3.8 0.03 . 2 . . . . 52 PRO HD2 . 15314 1 589 . 1 1 52 52 PRO HG2 H 1 1.961 0.03 . 2 . . . . 52 PRO HG1 . 15314 1 590 . 1 1 52 52 PRO HG3 H 1 1.961 0.03 . 2 . . . . 52 PRO HG2 . 15314 1 591 . 1 1 52 52 PRO C C 13 181.184 0.5 . 1 . . . . 52 PRO C . 15314 1 592 . 1 1 52 52 PRO CA C 13 64.975 0.5 . 1 . . . . 52 PRO CA . 15314 1 593 . 1 1 52 52 PRO CB C 13 30.072 0.5 . 1 . . . . 52 PRO CB . 15314 1 594 . 1 1 52 52 PRO CD C 13 49.7 0.5 . 1 . . . . 52 PRO CD . 15314 1 595 . 1 1 53 53 PHE H H 1 7.144 0.03 . 1 . . . . 53 PHE HN . 15314 1 596 . 1 1 53 53 PHE HA H 1 3.875 0.03 . 1 . . . . 53 PHE HA . 15314 1 597 . 1 1 53 53 PHE HB2 H 1 2.21 0.03 . 2 . . . . 53 PHE HB1 . 15314 1 598 . 1 1 53 53 PHE HB3 H 1 2.74 0.03 . 2 . . . . 53 PHE HB2 . 15314 1 599 . 1 1 53 53 PHE HD1 H 1 7.087 0.03 . 3 . . . . 53 PHE HD1 . 15314 1 600 . 1 1 53 53 PHE HE1 H 1 7.349 0.03 . 3 . . . . 53 PHE HE1 . 15314 1 601 . 1 1 53 53 PHE C C 13 177.838 0.5 . 1 . . . . 53 PHE C . 15314 1 602 . 1 1 53 53 PHE CA C 13 60.265 0.5 . 1 . . . . 53 PHE CA . 15314 1 603 . 1 1 53 53 PHE CB C 13 37.091 0.5 . 1 . . . . 53 PHE CB . 15314 1 604 . 1 1 53 53 PHE CD1 C 13 130.464 0.5 . 3 . . . . 53 PHE CD1 . 15314 1 605 . 1 1 53 53 PHE CE1 C 13 126.311 0.5 . 3 . . . . 53 PHE CE1 . 15314 1 606 . 1 1 53 53 PHE N N 15 116.868 0.2 . 1 . . . . 53 PHE N . 15314 1 607 . 1 1 54 54 GLU H H 1 7.788 0.03 . 1 . . . . 54 GLU HN . 15314 1 608 . 1 1 54 54 GLU HA H 1 3.997 0.03 . 1 . . . . 54 GLU HA . 15314 1 609 . 1 1 54 54 GLU HB2 H 1 2.009 0.03 . 2 . . . . 54 GLU HB1 . 15314 1 610 . 1 1 54 54 GLU HB3 H 1 2.158 0.03 . 2 . . . . 54 GLU HB2 . 15314 1 611 . 1 1 54 54 GLU HG2 H 1 2.298 0.03 . 2 . . . . 54 GLU HG1 . 15314 1 612 . 1 1 54 54 GLU HG3 H 1 2.298 0.03 . 2 . . . . 54 GLU HG2 . 15314 1 613 . 1 1 54 54 GLU C C 13 180.998 0.5 . 1 . . . . 54 GLU C . 15314 1 614 . 1 1 54 54 GLU CA C 13 58.691 0.5 . 1 . . . . 54 GLU CA . 15314 1 615 . 1 1 54 54 GLU CB C 13 29.328 0.5 . 1 . . . . 54 GLU CB . 15314 1 616 . 1 1 54 54 GLU CG C 13 35.679 0.5 . 1 . . . . 54 GLU CG . 15314 1 617 . 1 1 54 54 GLU N N 15 120.523 0.2 . 1 . . . . 54 GLU N . 15314 1 618 . 1 1 55 55 ALA H H 1 8.379 0.03 . 1 . . . . 55 ALA HN . 15314 1 619 . 1 1 55 55 ALA HA H 1 4.086 0.03 . 1 . . . . 55 ALA HA . 15314 1 620 . 1 1 55 55 ALA HB1 H 1 1.487 0.03 . 1 . . . . 55 ALA HB . 15314 1 621 . 1 1 55 55 ALA HB2 H 1 1.487 0.03 . 1 . . . . 55 ALA HB . 15314 1 622 . 1 1 55 55 ALA HB3 H 1 1.487 0.03 . 1 . . . . 55 ALA HB . 15314 1 623 . 1 1 55 55 ALA C C 13 180.899 0.5 . 1 . . . . 55 ALA C . 15314 1 624 . 1 1 55 55 ALA CA C 13 53.119 0.5 . 1 . . . . 55 ALA CA . 15314 1 625 . 1 1 55 55 ALA CB C 13 17.854 0.5 . 1 . . . . 55 ALA CB . 15314 1 626 . 1 1 55 55 ALA N N 15 119.006 0.2 . 1 . . . . 55 ALA N . 15314 1 627 . 1 1 56 56 TRP H H 1 7.575 0.03 . 1 . . . . 56 TRP HN . 15314 1 628 . 1 1 56 56 TRP HA H 1 4.616 0.03 . 1 . . . . 56 TRP HA . 15314 1 629 . 1 1 56 56 TRP HB2 H 1 3.412 0.03 . 2 . . . . 56 TRP HB1 . 15314 1 630 . 1 1 56 56 TRP HB3 H 1 3.412 0.03 . 2 . . . . 56 TRP HB2 . 15314 1 631 . 1 1 56 56 TRP HE1 H 1 10.138 0.03 . 1 . . . . 56 TRP HE1 . 15314 1 632 . 1 1 56 56 TRP HH2 H 1 6.652 0.03 . 1 . . . . 56 TRP HH2 . 15314 1 633 . 1 1 56 56 TRP HZ2 H 1 7.291 0.03 . 1 . . . . 56 TRP HZ2 . 15314 1 634 . 1 1 56 56 TRP C C 13 179.334 0.5 . 1 . . . . 56 TRP C . 15314 1 635 . 1 1 56 56 TRP CA C 13 59.039 0.5 . 1 . . . . 56 TRP CA . 15314 1 636 . 1 1 56 56 TRP CB C 13 27.791 0.5 . 1 . . . . 56 TRP CB . 15314 1 637 . 1 1 56 56 TRP CH2 C 13 123.624 0.5 . 1 . . . . 56 TRP CH2 . 15314 1 638 . 1 1 56 56 TRP CZ2 C 13 113.069 0.5 . 1 . . . . 56 TRP CZ2 . 15314 1 639 . 1 1 56 56 TRP N N 15 119.77 0.2 . 1 . . . . 56 TRP N . 15314 1 640 . 1 1 56 56 TRP NE1 N 15 133.493 0.2 . 1 . . . . 56 TRP NE1 . 15314 1 641 . 1 1 57 57 ILE H H 1 7.291 0.03 . 1 . . . . 57 ILE HN . 15314 1 642 . 1 1 57 57 ILE HA H 1 2.517 0.03 . 1 . . . . 57 ILE HA . 15314 1 643 . 1 1 57 57 ILE HB H 1 1.767 0.03 . 1 . . . . 57 ILE HB . 15314 1 644 . 1 1 57 57 ILE HD11 H 1 0.997 0.03 . 1 . . . . 57 ILE HD1 . 15314 1 645 . 1 1 57 57 ILE HD12 H 1 0.997 0.03 . 1 . . . . 57 ILE HD1 . 15314 1 646 . 1 1 57 57 ILE HD13 H 1 0.997 0.03 . 1 . . . . 57 ILE HD1 . 15314 1 647 . 1 1 57 57 ILE HG12 H 1 1.247 0.03 . 1 . . . . 57 ILE HG12 . 15314 1 648 . 1 1 57 57 ILE HG21 H 1 0.675 0.03 . 1 . . . . 57 ILE HG2 . 15314 1 649 . 1 1 57 57 ILE HG22 H 1 0.675 0.03 . 1 . . . . 57 ILE HG2 . 15314 1 650 . 1 1 57 57 ILE HG23 H 1 0.675 0.03 . 1 . . . . 57 ILE HG2 . 15314 1 651 . 1 1 57 57 ILE C C 13 177.768 0.5 . 1 . . . . 57 ILE C . 15314 1 652 . 1 1 57 57 ILE CA C 13 62.722 0.5 . 1 . . . . 57 ILE CA . 15314 1 653 . 1 1 57 57 ILE CB C 13 36.507 0.5 . 1 . . . . 57 ILE CB . 15314 1 654 . 1 1 57 57 ILE CD1 C 13 12.957 0.5 . 1 . . . . 57 ILE CD1 . 15314 1 655 . 1 1 57 57 ILE CG1 C 13 27.406 0.5 . 1 . . . . 57 ILE CG1 . 15314 1 656 . 1 1 57 57 ILE CG2 C 13 15.926 0.5 . 1 . . . . 57 ILE CG2 . 15314 1 657 . 1 1 57 57 ILE N N 15 117.374 0.2 . 1 . . . . 57 ILE N . 15314 1 658 . 1 1 58 58 GLY H H 1 6.565 0.03 . 1 . . . . 58 GLY HN . 15314 1 659 . 1 1 58 58 GLY HA2 H 1 3.985 0.03 . 2 . . . . 58 GLY HA1 . 15314 1 660 . 1 1 58 58 GLY HA3 H 1 4.069 0.03 . 2 . . . . 58 GLY HA2 . 15314 1 661 . 1 1 58 58 GLY C C 13 178.787 0.5 . 1 . . . . 58 GLY C . 15314 1 662 . 1 1 58 58 GLY CA C 13 43.958 0.5 . 1 . . . . 58 GLY CA . 15314 1 663 . 1 1 58 58 GLY N N 15 110.422 0.2 . 1 . . . . 58 GLY N . 15314 1 664 . 1 1 59 59 THR H H 1 7.629 0.03 . 1 . . . . 59 THR HN . 15314 1 665 . 1 1 59 59 THR HA H 1 4.554 0.03 . 1 . . . . 59 THR HA . 15314 1 666 . 1 1 59 59 THR HB H 1 3.952 0.03 . 1 . . . . 59 THR HB . 15314 1 667 . 1 1 59 59 THR HG21 H 1 1.506 0.03 . 1 . . . . 59 THR HG2 . 15314 1 668 . 1 1 59 59 THR HG22 H 1 1.506 0.03 . 1 . . . . 59 THR HG2 . 15314 1 669 . 1 1 59 59 THR HG23 H 1 1.506 0.03 . 1 . . . . 59 THR HG2 . 15314 1 670 . 1 1 59 59 THR CA C 13 60.466 0.5 . 1 . . . . 59 THR CA . 15314 1 671 . 1 1 59 59 THR CB C 13 71.728 0.5 . 1 . . . . 59 THR CB . 15314 1 672 . 1 1 59 59 THR N N 15 111.6 0.2 . 1 . . . . 59 THR N . 15314 1 673 . 1 1 60 60 ALA H H 1 9.01 0.03 . 1 . . . . 60 ALA HN . 15314 1 674 . 1 1 60 60 ALA HA H 1 4.917 0.03 . 1 . . . . 60 ALA HA . 15314 1 675 . 1 1 60 60 ALA HB1 H 1 1.536 0.03 . 1 . . . . 60 ALA HB . 15314 1 676 . 1 1 60 60 ALA HB2 H 1 1.536 0.03 . 1 . . . . 60 ALA HB . 15314 1 677 . 1 1 60 60 ALA HB3 H 1 1.536 0.03 . 1 . . . . 60 ALA HB . 15314 1 678 . 1 1 60 60 ALA C C 13 182.933 0.5 . 1 . . . . 60 ALA C . 15314 1 679 . 1 1 60 60 ALA CA C 13 54.222 0.5 . 1 . . . . 60 ALA CA . 15314 1 680 . 1 1 60 60 ALA CB C 13 18.122 0.5 . 1 . . . . 60 ALA CB . 15314 1 681 . 1 1 60 60 ALA N N 15 125.89 0.2 . 1 . . . . 60 ALA N . 15314 1 682 . 1 1 61 61 ALA H H 1 8.368 0.03 . 1 . . . . 61 ALA HN . 15314 1 683 . 1 1 61 61 ALA HA H 1 4.256 0.03 . 1 . . . . 61 ALA HA . 15314 1 684 . 1 1 61 61 ALA HB1 H 1 1.716 0.03 . 1 . . . . 61 ALA HB . 15314 1 685 . 1 1 61 61 ALA HB2 H 1 1.716 0.03 . 1 . . . . 61 ALA HB . 15314 1 686 . 1 1 61 61 ALA HB3 H 1 1.716 0.03 . 1 . . . . 61 ALA HB . 15314 1 687 . 1 1 61 61 ALA C C 13 182.536 0.5 . 1 . . . . 61 ALA C . 15314 1 688 . 1 1 61 61 ALA CA C 13 54.071 0.5 . 1 . . . . 61 ALA CA . 15314 1 689 . 1 1 61 61 ALA CB C 13 18.122 0.5 . 1 . . . . 61 ALA CB . 15314 1 690 . 1 1 61 61 ALA N N 15 121.272 0.2 . 1 . . . . 61 ALA N . 15314 1 691 . 1 1 62 62 TYR H H 1 7.31 0.03 . 1 . . . . 62 TYR HN . 15314 1 692 . 1 1 62 62 TYR HA H 1 3.381 0.03 . 1 . . . . 62 TYR HA . 15314 1 693 . 1 1 62 62 TYR HB2 H 1 2.693 0.03 . 2 . . . . 62 TYR HB1 . 15314 1 694 . 1 1 62 62 TYR HB3 H 1 2.693 0.03 . 2 . . . . 62 TYR HB2 . 15314 1 695 . 1 1 62 62 TYR HD1 H 1 7.021 0.03 . 3 . . . . 62 TYR HD1 . 15314 1 696 . 1 1 62 62 TYR HE1 H 1 6.98 0.03 . 3 . . . . 62 TYR HE1 . 15314 1 697 . 1 1 62 62 TYR C C 13 177.889 0.5 . 1 . . . . 62 TYR C . 15314 1 698 . 1 1 62 62 TYR CA C 13 60.203 0.5 . 1 . . . . 62 TYR CA . 15314 1 699 . 1 1 62 62 TYR CB C 13 36.771 0.5 . 1 . . . . 62 TYR CB . 15314 1 700 . 1 1 62 62 TYR CD1 C 13 133.038 0.5 . 3 . . . . 62 TYR CD1 . 15314 1 701 . 1 1 62 62 TYR CE1 C 13 117.05 0.5 . 3 . . . . 62 TYR CE1 . 15314 1 702 . 1 1 62 62 TYR N N 15 122.066 0.2 . 1 . . . . 62 TYR N . 15314 1 703 . 1 1 63 63 THR H H 1 8.303 0.03 . 1 . . . . 63 THR HN . 15314 1 704 . 1 1 63 63 THR HA H 1 4.405 0.03 . 1 . . . . 63 THR HA . 15314 1 705 . 1 1 63 63 THR HB H 1 4.239 0.03 . 1 . . . . 63 THR HB . 15314 1 706 . 1 1 63 63 THR HG21 H 1 1.304 0.03 . 1 . . . . 63 THR HG2 . 15314 1 707 . 1 1 63 63 THR HG22 H 1 1.304 0.03 . 1 . . . . 63 THR HG2 . 15314 1 708 . 1 1 63 63 THR HG23 H 1 1.304 0.03 . 1 . . . . 63 THR HG2 . 15314 1 709 . 1 1 63 63 THR C C 13 178.2 0.5 . 1 . . . . 63 THR C . 15314 1 710 . 1 1 63 63 THR CA C 13 65.547 0.5 . 1 . . . . 63 THR CA . 15314 1 711 . 1 1 63 63 THR CB C 13 67.47 0.5 . 1 . . . . 63 THR CB . 15314 1 712 . 1 1 63 63 THR N N 15 117.473 0.2 . 1 . . . . 63 THR N . 15314 1 713 . 1 1 64 64 ALA H H 1 7.931 0.03 . 1 . . . . 64 ALA HN . 15314 1 714 . 1 1 64 64 ALA HA H 1 4.22 0.03 . 1 . . . . 64 ALA HA . 15314 1 715 . 1 1 64 64 ALA HB1 H 1 1.577 0.03 . 1 . . . . 64 ALA HB . 15314 1 716 . 1 1 64 64 ALA HB2 H 1 1.577 0.03 . 1 . . . . 64 ALA HB . 15314 1 717 . 1 1 64 64 ALA HB3 H 1 1.577 0.03 . 1 . . . . 64 ALA HB . 15314 1 718 . 1 1 64 64 ALA C C 13 181.966 0.5 . 1 . . . . 64 ALA C . 15314 1 719 . 1 1 64 64 ALA CA C 13 53.966 0.5 . 1 . . . . 64 ALA CA . 15314 1 720 . 1 1 64 64 ALA CB C 13 17.432 0.5 . 1 . . . . 64 ALA CB . 15314 1 721 . 1 1 64 64 ALA N N 15 123.649 0.2 . 1 . . . . 64 ALA N . 15314 1 722 . 1 1 65 65 TRP H H 1 8.049 0.03 . 1 . . . . 65 TRP HN . 15314 1 723 . 1 1 65 65 TRP HA H 1 4.294 0.03 . 1 . . . . 65 TRP HA . 15314 1 724 . 1 1 65 65 TRP HB2 H 1 3.626 0.03 . 2 . . . . 65 TRP HB1 . 15314 1 725 . 1 1 65 65 TRP HB3 H 1 3.626 0.03 . 2 . . . . 65 TRP HB2 . 15314 1 726 . 1 1 65 65 TRP HE1 H 1 10.312 0.03 . 1 . . . . 65 TRP HE1 . 15314 1 727 . 1 1 65 65 TRP HH2 H 1 6.612 0.03 . 1 . . . . 65 TRP HH2 . 15314 1 728 . 1 1 65 65 TRP HZ2 H 1 7.101 0.03 . 1 . . . . 65 TRP HZ2 . 15314 1 729 . 1 1 65 65 TRP C C 13 181.255 0.5 . 1 . . . . 65 TRP C . 15314 1 730 . 1 1 65 65 TRP CA C 13 61.458 0.5 . 1 . . . . 65 TRP CA . 15314 1 731 . 1 1 65 65 TRP CB C 13 27.748 0.5 . 1 . . . . 65 TRP CB . 15314 1 732 . 1 1 65 65 TRP CH2 C 13 118.871 0.5 . 1 . . . . 65 TRP CH2 . 15314 1 733 . 1 1 65 65 TRP CZ2 C 13 113.105 0.5 . 1 . . . . 65 TRP CZ2 . 15314 1 734 . 1 1 65 65 TRP N N 15 121.372 0.2 . 1 . . . . 65 TRP N . 15314 1 735 . 1 1 65 65 TRP NE1 N 15 130.602 0.2 . 1 . . . . 65 TRP NE1 . 15314 1 736 . 1 1 66 66 LYS H H 1 9.624 0.03 . 1 . . . . 66 LYS HN . 15314 1 737 . 1 1 66 66 LYS HA H 1 4.352 0.03 . 1 . . . . 66 LYS HA . 15314 1 738 . 1 1 66 66 LYS HB2 H 1 1.816 0.03 . 2 . . . . 66 LYS HB1 . 15314 1 739 . 1 1 66 66 LYS HB3 H 1 1.919 0.03 . 2 . . . . 66 LYS HB2 . 15314 1 740 . 1 1 66 66 LYS HD2 H 1 1.763 0.03 . 2 . . . . 66 LYS HD1 . 15314 1 741 . 1 1 66 66 LYS HD3 H 1 1.763 0.03 . 2 . . . . 66 LYS HD2 . 15314 1 742 . 1 1 66 66 LYS HE2 H 1 3.026 0.03 . 2 . . . . 66 LYS HE2 . 15314 1 743 . 1 1 66 66 LYS HG2 H 1 1.539 0.03 . 2 . . . . 66 LYS HG1 . 15314 1 744 . 1 1 66 66 LYS HG3 H 1 1.539 0.03 . 2 . . . . 66 LYS HG2 . 15314 1 745 . 1 1 66 66 LYS C C 13 180.615 0.5 . 1 . . . . 66 LYS C . 15314 1 746 . 1 1 66 66 LYS CA C 13 56.03 0.5 . 1 . . . . 66 LYS CA . 15314 1 747 . 1 1 66 66 LYS CB C 13 30.842 0.5 . 1 . . . . 66 LYS CB . 15314 1 748 . 1 1 66 66 LYS CD C 13 28.166 0.5 . 1 . . . . 66 LYS CD . 15314 1 749 . 1 1 66 66 LYS CE C 13 40.913 0.5 . 1 . . . . 66 LYS CE . 15314 1 750 . 1 1 66 66 LYS CG C 13 24.861 0.5 . 1 . . . . 66 LYS CG . 15314 1 751 . 1 1 66 66 LYS N N 15 123.631 0.2 . 1 . . . . 66 LYS N . 15314 1 752 . 1 1 67 67 ALA H H 1 8.822 0.03 . 1 . . . . 67 ALA HN . 15314 1 753 . 1 1 67 67 ALA HA H 1 4.027 0.03 . 1 . . . . 67 ALA HA . 15314 1 754 . 1 1 67 67 ALA HB1 H 1 1.492 0.03 . 1 . . . . 67 ALA HB . 15314 1 755 . 1 1 67 67 ALA HB2 H 1 1.492 0.03 . 1 . . . . 67 ALA HB . 15314 1 756 . 1 1 67 67 ALA HB3 H 1 1.492 0.03 . 1 . . . . 67 ALA HB . 15314 1 757 . 1 1 67 67 ALA C C 13 180.899 0.5 . 1 . . . . 67 ALA C . 15314 1 758 . 1 1 67 67 ALA CA C 13 53.759 0.5 . 1 . . . . 67 ALA CA . 15314 1 759 . 1 1 67 67 ALA CB C 13 17.534 0.5 . 1 . . . . 67 ALA CB . 15314 1 760 . 1 1 67 67 ALA N N 15 120.803 0.2 . 1 . . . . 67 ALA N . 15314 1 761 . 1 1 68 68 LYS H H 1 6.888 0.03 . 1 . . . . 68 LYS HN . 15314 1 762 . 1 1 68 68 LYS HA H 1 4.233 0.03 . 1 . . . . 68 LYS HA . 15314 1 763 . 1 1 68 68 LYS HB2 H 1 1.792 0.03 . 2 . . . . 68 LYS HB1 . 15314 1 764 . 1 1 68 68 LYS HB3 H 1 1.792 0.03 . 2 . . . . 68 LYS HB2 . 15314 1 765 . 1 1 68 68 LYS HD2 H 1 1.545 0.03 . 2 . . . . 68 LYS HD1 . 15314 1 766 . 1 1 68 68 LYS HD3 H 1 1.545 0.03 . 2 . . . . 68 LYS HD2 . 15314 1 767 . 1 1 68 68 LYS HE2 H 1 3.086 0.03 . 2 . . . . 68 LYS HE1 . 15314 1 768 . 1 1 68 68 LYS HE3 H 1 3.086 0.03 . 2 . . . . 68 LYS HE2 . 15314 1 769 . 1 1 68 68 LYS HG2 H 1 1.411 0.03 . 2 . . . . 68 LYS HG1 . 15314 1 770 . 1 1 68 68 LYS HG3 H 1 1.411 0.03 . 2 . . . . 68 LYS HG2 . 15314 1 771 . 1 1 68 68 LYS C C 13 175.989 0.5 . 1 . . . . 68 LYS C . 15314 1 772 . 1 1 68 68 LYS CA C 13 54.355 0.5 . 1 . . . . 68 LYS CA . 15314 1 773 . 1 1 68 68 LYS CB C 13 33.056 0.5 . 1 . . . . 68 LYS CB . 15314 1 774 . 1 1 68 68 LYS CD C 13 27.829 0.5 . 1 . . . . 68 LYS CD . 15314 1 775 . 1 1 68 68 LYS CE C 13 41.673 0.5 . 1 . . . . 68 LYS CE . 15314 1 776 . 1 1 68 68 LYS CG C 13 24.452 0.5 . 1 . . . . 68 LYS CG . 15314 1 777 . 1 1 68 68 LYS N N 15 113.741 0.2 . 1 . . . . 68 LYS N . 15314 1 778 . 1 1 69 69 HIS H H 1 7.111 0.03 . 1 . . . . 69 HIS HN . 15314 1 779 . 1 1 69 69 HIS HA H 1 4.768 0.03 . 1 . . . . 69 HIS HA . 15314 1 780 . 1 1 69 69 HIS HB2 H 1 2.562 0.03 . 2 . . . . 69 HIS HB1 . 15314 1 781 . 1 1 69 69 HIS HB3 H 1 2.562 0.03 . 2 . . . . 69 HIS HB2 . 15314 1 782 . 1 1 69 69 HIS HD2 H 1 8.114 0.03 . 1 . . . . 69 HIS HD2 . 15314 1 783 . 1 1 69 69 HIS HE1 H 1 7.478 0.03 . 1 . . . . 69 HIS HE1 . 15314 1 784 . 1 1 69 69 HIS CA C 13 52.654 0.5 . 1 . . . . 69 HIS CA . 15314 1 785 . 1 1 69 69 HIS CB C 13 27.381 0.5 . 1 . . . . 69 HIS CB . 15314 1 786 . 1 1 69 69 HIS CD2 C 13 136.572 0.5 . 1 . . . . 69 HIS CD2 . 15314 1 787 . 1 1 69 69 HIS CE1 C 13 131.327 0.5 . 1 . . . . 69 HIS CE1 . 15314 1 788 . 1 1 69 69 HIS N N 15 120.596 0.2 . 1 . . . . 69 HIS N . 15314 1 789 . 1 1 70 70 PRO HA H 1 4.23 0.03 . 1 . . . . 70 PRO HA . 15314 1 790 . 1 1 70 70 PRO HB2 H 1 2.327 0.03 . 2 . . . . 70 PRO HB1 . 15314 1 791 . 1 1 70 70 PRO HB3 H 1 2.327 0.03 . 2 . . . . 70 PRO HB2 . 15314 1 792 . 1 1 70 70 PRO HD2 H 1 3.8 0.03 . 2 . . . . 70 PRO HD1 . 15314 1 793 . 1 1 70 70 PRO HD3 H 1 3.505 0.03 . 2 . . . . 70 PRO HD2 . 15314 1 794 . 1 1 70 70 PRO HG2 H 1 1.961 0.03 . 2 . . . . 70 PRO HG1 . 15314 1 795 . 1 1 70 70 PRO HG3 H 1 1.961 0.03 . 2 . . . . 70 PRO HG2 . 15314 1 796 . 1 1 70 70 PRO C C 13 179.651 0.5 . 1 . . . . 70 PRO C . 15314 1 797 . 1 1 70 70 PRO CA C 13 64.184 0.5 . 1 . . . . 70 PRO CA . 15314 1 798 . 1 1 70 70 PRO CB C 13 30.854 0.5 . 1 . . . . 70 PRO CB . 15314 1 799 . 1 1 70 70 PRO CD C 13 49.319 0.5 . 1 . . . . 70 PRO CD . 15314 1 800 . 1 1 71 71 ASP H H 1 8.619 0.03 . 1 . . . . 71 ASP HN . 15314 1 801 . 1 1 71 71 ASP HA H 1 4.917 0.03 . 1 . . . . 71 ASP HA . 15314 1 802 . 1 1 71 71 ASP HB2 H 1 2.741 0.03 . 2 . . . . 71 ASP HB1 . 15314 1 803 . 1 1 71 71 ASP HB3 H 1 2.946 0.03 . 2 . . . . 71 ASP HB2 . 15314 1 804 . 1 1 71 71 ASP C C 13 177.057 0.5 . 1 . . . . 71 ASP C . 15314 1 805 . 1 1 71 71 ASP CA C 13 52.975 0.5 . 1 . . . . 71 ASP CA . 15314 1 806 . 1 1 71 71 ASP CB C 13 40.475 0.5 . 1 . . . . 71 ASP CB . 15314 1 807 . 1 1 71 71 ASP N N 15 116.294 0.2 . 1 . . . . 71 ASP N . 15314 1 808 . 1 1 72 72 GLU H H 1 7.389 0.03 . 1 . . . . 72 GLU HN . 15314 1 809 . 1 1 72 72 GLU HA H 1 4.92 0.03 . 1 . . . . 72 GLU HA . 15314 1 810 . 1 1 72 72 GLU HB2 H 1 2.159 0.03 . 2 . . . . 72 GLU HB1 . 15314 1 811 . 1 1 72 72 GLU HB3 H 1 2.159 0.03 . 2 . . . . 72 GLU HB2 . 15314 1 812 . 1 1 72 72 GLU HG2 H 1 2.388 0.03 . 2 . . . . 72 GLU HG1 . 15314 1 813 . 1 1 72 72 GLU HG3 H 1 2.388 0.03 . 2 . . . . 72 GLU HG2 . 15314 1 814 . 1 1 72 72 GLU C C 13 176.986 0.5 . 1 . . . . 72 GLU C . 15314 1 815 . 1 1 72 72 GLU CA C 13 54.236 0.5 . 1 . . . . 72 GLU CA . 15314 1 816 . 1 1 72 72 GLU CB C 13 33.622 0.5 . 1 . . . . 72 GLU CB . 15314 1 817 . 1 1 72 72 GLU CG C 13 36.43 0.5 . 1 . . . . 72 GLU CG . 15314 1 818 . 1 1 72 72 GLU N N 15 120.136 0.2 . 1 . . . . 72 GLU N . 15314 1 819 . 1 1 73 73 LYS H H 1 9.155 0.03 . 1 . . . . 73 LYS HN . 15314 1 820 . 1 1 73 73 LYS HA H 1 4.245 0.03 . 1 . . . . 73 LYS HA . 15314 1 821 . 1 1 73 73 LYS HB2 H 1 1.69 0.03 . 2 . . . . 73 LYS HB1 . 15314 1 822 . 1 1 73 73 LYS HB3 H 1 1.854 0.03 . 2 . . . . 73 LYS HB2 . 15314 1 823 . 1 1 73 73 LYS HD2 H 1 1.585 0.03 . 2 . . . . 73 LYS HD1 . 15314 1 824 . 1 1 73 73 LYS HD3 H 1 1.585 0.03 . 2 . . . . 73 LYS HD2 . 15314 1 825 . 1 1 73 73 LYS HE2 H 1 3.278 0.03 . 2 . . . . 73 LYS HE1 . 15314 1 826 . 1 1 73 73 LYS HE3 H 1 3.278 0.03 . 2 . . . . 73 LYS HE2 . 15314 1 827 . 1 1 73 73 LYS HG2 H 1 1.403 0.03 . 2 . . . . 73 LYS HG1 . 15314 1 828 . 1 1 73 73 LYS HG3 H 1 1.403 0.03 . 2 . . . . 73 LYS HG2 . 15314 1 829 . 1 1 73 73 LYS C C 13 176.68 0.5 . 1 . . . . 73 LYS C . 15314 1 830 . 1 1 73 73 LYS CA C 13 57.999 0.5 . 1 . . . . 73 LYS CA . 15314 1 831 . 1 1 73 73 LYS CB C 13 33.418 0.5 . 1 . . . . 73 LYS CB . 15314 1 832 . 1 1 73 73 LYS CD C 13 28.335 0.5 . 1 . . . . 73 LYS CD . 15314 1 833 . 1 1 73 73 LYS CE C 13 41.166 0.5 . 1 . . . . 73 LYS CE . 15314 1 834 . 1 1 73 73 LYS CG C 13 24.452 0.5 . 1 . . . . 73 LYS CG . 15314 1 835 . 1 1 73 73 LYS N N 15 121.554 0.2 . 1 . . . . 73 LYS N . 15314 1 836 . 1 1 74 74 PHE H H 1 7.171 0.03 . 1 . . . . 74 PHE HN . 15314 1 837 . 1 1 74 74 PHE HA H 1 4.6 0.03 . 1 . . . . 74 PHE HA . 15314 1 838 . 1 1 74 74 PHE HB2 H 1 3.188 0.03 . 2 . . . . 74 PHE HB1 . 15314 1 839 . 1 1 74 74 PHE HB3 H 1 3.293 0.03 . 2 . . . . 74 PHE HB2 . 15314 1 840 . 1 1 74 74 PHE HD1 H 1 7.087 0.03 . 3 . . . . 74 PHE HD1 . 15314 1 841 . 1 1 74 74 PHE HE1 H 1 7.623 0.03 . 3 . . . . 74 PHE HE1 . 15314 1 842 . 1 1 74 74 PHE HZ H 1 7.433 0.03 . 1 . . . . 74 PHE HZ . 15314 1 843 . 1 1 74 74 PHE CA C 13 55.159 0.5 . 1 . . . . 74 PHE CA . 15314 1 844 . 1 1 74 74 PHE CB C 13 40.451 0.5 . 1 . . . . 74 PHE CB . 15314 1 845 . 1 1 74 74 PHE CD1 C 13 130.464 0.5 . 3 . . . . 74 PHE CD1 . 15314 1 846 . 1 1 74 74 PHE CE1 C 13 131.512 0.5 . 3 . . . . 74 PHE CE1 . 15314 1 847 . 1 1 74 74 PHE CZ C 13 125.987 0.5 . 1 . . . . 74 PHE CZ . 15314 1 848 . 1 1 74 74 PHE N N 15 111.944 0.2 . 1 . . . . 74 PHE N . 15314 1 849 . 1 1 75 75 PRO HA H 1 4.64 0.03 . 1 . . . . 75 PRO HA . 15314 1 850 . 1 1 75 75 PRO HB2 H 1 2.321 0.03 . 2 . . . . 75 PRO HB1 . 15314 1 851 . 1 1 75 75 PRO HB3 H 1 2.485 0.03 . 2 . . . . 75 PRO HB2 . 15314 1 852 . 1 1 75 75 PRO HD2 H 1 3.79 0.03 . 2 . . . . 75 PRO HD1 . 15314 1 853 . 1 1 75 75 PRO HD3 H 1 3.79 0.03 . 2 . . . . 75 PRO HD2 . 15314 1 854 . 1 1 75 75 PRO HG2 H 1 2.002 0.03 . 2 . . . . 75 PRO HG1 . 15314 1 855 . 1 1 75 75 PRO HG3 H 1 2.002 0.03 . 2 . . . . 75 PRO HG2 . 15314 1 856 . 1 1 75 75 PRO C C 13 176.914 0.5 . 1 . . . . 75 PRO C . 15314 1 857 . 1 1 75 75 PRO CA C 13 62.713 0.5 . 1 . . . . 75 PRO CA . 15314 1 858 . 1 1 75 75 PRO CB C 13 30.073 0.5 . 1 . . . . 75 PRO CB . 15314 1 859 . 1 1 75 75 PRO CD C 13 48.781 0.5 . 1 . . . . 75 PRO CD . 15314 1 860 . 1 1 76 76 ALA H H 1 9.039 0.03 . 1 . . . . 76 ALA HN . 15314 1 861 . 1 1 76 76 ALA HA H 1 4.87 0.03 . 1 . . . . 76 ALA HA . 15314 1 862 . 1 1 76 76 ALA HB1 H 1 1.695 0.03 . 1 . . . . 76 ALA HB . 15314 1 863 . 1 1 76 76 ALA HB2 H 1 1.695 0.03 . 1 . . . . 76 ALA HB . 15314 1 864 . 1 1 76 76 ALA HB3 H 1 1.695 0.03 . 1 . . . . 76 ALA HB . 15314 1 865 . 1 1 76 76 ALA C C 13 179.974 0.5 . 1 . . . . 76 ALA C . 15314 1 866 . 1 1 76 76 ALA CA C 13 50.923 0.5 . 1 . . . . 76 ALA CA . 15314 1 867 . 1 1 76 76 ALA CB C 13 18.13 0.5 . 1 . . . . 76 ALA CB . 15314 1 868 . 1 1 76 76 ALA N N 15 128.387 0.2 . 1 . . . . 76 ALA N . 15314 1 869 . 1 1 77 77 PHE H H 1 8.117 0.03 . 1 . . . . 77 PHE HN . 15314 1 870 . 1 1 77 77 PHE HA H 1 4.915 0.03 . 1 . . . . 77 PHE HA . 15314 1 871 . 1 1 77 77 PHE HB2 H 1 2.743 0.03 . 2 . . . . 77 PHE HB1 . 15314 1 872 . 1 1 77 77 PHE HB3 H 1 2.96 0.03 . 2 . . . . 77 PHE HB2 . 15314 1 873 . 1 1 77 77 PHE HD1 H 1 7.078 0.03 . 3 . . . . 77 PHE HD1 . 15314 1 874 . 1 1 77 77 PHE HE1 H 1 7.342 0.03 . 3 . . . . 77 PHE HE1 . 15314 1 875 . 1 1 77 77 PHE CA C 13 53.371 0.5 . 1 . . . . 77 PHE CA . 15314 1 876 . 1 1 77 77 PHE CB C 13 36.523 0.5 . 1 . . . . 77 PHE CB . 15314 1 877 . 1 1 77 77 PHE CE1 C 13 125.748 0.5 . 3 . . . . 77 PHE CE1 . 15314 1 878 . 1 1 77 77 PHE N N 15 125.115 0.2 . 1 . . . . 77 PHE N . 15314 1 879 . 1 1 78 78 PRO HA H 1 4.245 0.03 . 1 . . . . 78 PRO HA . 15314 1 880 . 1 1 78 78 PRO HB2 H 1 2.391 0.03 . 2 . . . . 78 PRO HB1 . 15314 1 881 . 1 1 78 78 PRO HB3 H 1 2.391 0.03 . 2 . . . . 78 PRO HB2 . 15314 1 882 . 1 1 78 78 PRO HD2 H 1 3.876 0.03 . 2 . . . . 78 PRO HD1 . 15314 1 883 . 1 1 78 78 PRO HD3 H 1 3.876 0.03 . 2 . . . . 78 PRO HD2 . 15314 1 884 . 1 1 78 78 PRO HG2 H 1 2.064 0.03 . 2 . . . . 78 PRO HG1 . 15314 1 885 . 1 1 78 78 PRO HG3 H 1 2.064 0.03 . 2 . . . . 78 PRO HG2 . 15314 1 886 . 1 1 78 78 PRO C C 13 176.487 0.5 . 1 . . . . 78 PRO C . 15314 1 887 . 1 1 78 78 PRO CA C 13 62.48 0.5 . 1 . . . . 78 PRO CA . 15314 1 888 . 1 1 78 78 PRO CB C 13 30.324 0.5 . 1 . . . . 78 PRO CB . 15314 1 889 . 1 1 79 79 GLY H H 1 5.46 0.03 . 1 . . . . 79 GLY HN . 15314 1 890 . 1 1 79 79 GLY HA2 H 1 3.342 0.03 . 2 . . . . 79 GLY HA1 . 15314 1 891 . 1 1 79 79 GLY HA3 H 1 3.549 0.03 . 2 . . . . 79 GLY HA2 . 15314 1 892 . 1 1 79 79 GLY CA C 13 44.924 0.5 . 1 . . . . 79 GLY CA . 15314 1 893 . 1 1 79 79 GLY N N 15 113.022 0.2 . 1 . . . . 79 GLY N . 15314 1 stop_ save_