data_7371 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7371 _Entry.Title ; Solution NMR Structure: Northeast Structural Genomics Consortium Target SiR5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-23 _Entry.Accession_date 2007-06-12 _Entry.Last_release_date 2010-03-09 _Entry.Original_release_date 2010-03-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _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 L. Wang L. . . 7371 2 P. Rossi P. . . 7371 3 C. Chen C. X. . 7371 4 C. Nwosu C. . . 7371 5 K. Cunningham K. . . 7371 6 L. Ma L. -C. . 7371 7 R. Xiao R. . . 7371 8 J. Liu J. . . 7371 9 M. Baran M. C. . 7371 10 G. Swapna G. V.T. . 7371 11 T. Acton T. B. . 7371 12 R. Burkhard R. . . 7371 13 G. Montelione G. T. . 7371 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' NESG 7371 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NESG NESG 7371 'NMR structure' 'NMR structure' 7371 'Northeast Structural Genomics Consortium' 'Northeast Structural Genomics Consortium' 7371 'Protein Structure Initiative' 'Protein Structure Initiative' 7371 PSI-2 PSI-2 7371 SiR5 SiR5 7371 'Structural Genomics' 'Structural Genomics' 7371 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7371 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 7371 '15N chemical shifts' 93 7371 '1H chemical shifts' 682 7371 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 . . 2010-03-09 2007-02-23 original author . 7371 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OA4 'BMRB Entry Tracking System' 7371 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7371 _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 'Northeast Structural Genomics Consortium Target SiR5' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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 L. Wang L. . . 7371 1 2 P. Rossi P. . . 7371 1 3 C. Chen C. X. . 7371 1 4 C. Nwosu C. . . 7371 1 5 K. Cunningham K. . . 7371 1 6 L. Ma L. -C. . 7371 1 7 R. Xiao R. . . 7371 1 8 J. Liu J. . . 7371 1 9 M. Baran M. C. . 7371 1 10 G. Swapna G. V.T. . 7371 1 11 T. Acton T. B. . 7371 1 12 R. Burkhard R. . . 7371 1 13 G. Montelione G. T. . 7371 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7371 _Assembly.ID 1 _Assembly.Name SiR5 _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 SiR5 1 $SiR5 A . yes native no no . . . 7371 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SiR5 _Entity.Sf_category entity _Entity.Sf_framecode SiR5 _Entity.Entry_ID 7371 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SiR5 _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 ; MMFLRKVEGPRSVTLPDGSI MTRADLPPANTRRWVASRKI AVVRGVIYGLITLAEAKQTY GLSDEEFNSWVSALAEHGKD ALKVTALKKYRQLLEHHHHH H ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2OA4 . "Solution Nmr Structure: Northeast Structural Genomics Consortium Target Sir5" . . . . . 100.00 101 100.00 100.00 2.52e-67 . . . . 7371 1 2 no GB AAV94963 . "hypothetical protein SPO1678 [Ruegeria pomeroyi DSS-3]" . . . . . 92.08 93 98.92 98.92 1.01e-59 . . . . 7371 1 3 no REF WP_011047413 . "hypothetical protein [Ruegeria pomeroyi]" . . . . . 92.08 93 98.92 98.92 1.01e-59 . . . . 7371 1 4 no REF YP_166917 . "hypothetical protein SPO1678 [Ruegeria pomeroyi DSS-3]" . . . . . 92.08 93 98.92 98.92 1.01e-59 . . . . 7371 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Complete proteome' SWS-KEYWORD 7371 1 'Hypothetical protein' SWS-KEYWORD 7371 1 SiR5 RCSB_NAME 7371 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 7371 1 2 . MET . 7371 1 3 . PHE . 7371 1 4 . LEU . 7371 1 5 . ARG . 7371 1 6 . LYS . 7371 1 7 . VAL . 7371 1 8 . GLU . 7371 1 9 . GLY . 7371 1 10 . PRO . 7371 1 11 . ARG . 7371 1 12 . SER . 7371 1 13 . VAL . 7371 1 14 . THR . 7371 1 15 . LEU . 7371 1 16 . PRO . 7371 1 17 . ASP . 7371 1 18 . GLY . 7371 1 19 . SER . 7371 1 20 . ILE . 7371 1 21 . MET . 7371 1 22 . THR . 7371 1 23 . ARG . 7371 1 24 . ALA . 7371 1 25 . ASP . 7371 1 26 . LEU . 7371 1 27 . PRO . 7371 1 28 . PRO . 7371 1 29 . ALA . 7371 1 30 . ASN . 7371 1 31 . THR . 7371 1 32 . ARG . 7371 1 33 . ARG . 7371 1 34 . TRP . 7371 1 35 . VAL . 7371 1 36 . ALA . 7371 1 37 . SER . 7371 1 38 . ARG . 7371 1 39 . LYS . 7371 1 40 . ILE . 7371 1 41 . ALA . 7371 1 42 . VAL . 7371 1 43 . VAL . 7371 1 44 . ARG . 7371 1 45 . GLY . 7371 1 46 . VAL . 7371 1 47 . ILE . 7371 1 48 . TYR . 7371 1 49 . GLY . 7371 1 50 . LEU . 7371 1 51 . ILE . 7371 1 52 . THR . 7371 1 53 . LEU . 7371 1 54 . ALA . 7371 1 55 . GLU . 7371 1 56 . ALA . 7371 1 57 . LYS . 7371 1 58 . GLN . 7371 1 59 . THR . 7371 1 60 . TYR . 7371 1 61 . GLY . 7371 1 62 . LEU . 7371 1 63 . SER . 7371 1 64 . ASP . 7371 1 65 . GLU . 7371 1 66 . GLU . 7371 1 67 . PHE . 7371 1 68 . ASN . 7371 1 69 . SER . 7371 1 70 . TRP . 7371 1 71 . VAL . 7371 1 72 . SER . 7371 1 73 . ALA . 7371 1 74 . LEU . 7371 1 75 . ALA . 7371 1 76 . GLU . 7371 1 77 . HIS . 7371 1 78 . GLY . 7371 1 79 . LYS . 7371 1 80 . ASP . 7371 1 81 . ALA . 7371 1 82 . LEU . 7371 1 83 . LYS . 7371 1 84 . VAL . 7371 1 85 . THR . 7371 1 86 . ALA . 7371 1 87 . LEU . 7371 1 88 . LYS . 7371 1 89 . LYS . 7371 1 90 . TYR . 7371 1 91 . ARG . 7371 1 92 . GLN . 7371 1 93 . LEU . 7371 1 94 . LEU . 7371 1 95 . GLU . 7371 1 96 . HIS . 7371 1 97 . HIS . 7371 1 98 . HIS . 7371 1 99 . HIS . 7371 1 100 . HIS . 7371 1 101 . HIS . 7371 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7371 1 . MET 2 2 7371 1 . PHE 3 3 7371 1 . LEU 4 4 7371 1 . ARG 5 5 7371 1 . LYS 6 6 7371 1 . VAL 7 7 7371 1 . GLU 8 8 7371 1 . GLY 9 9 7371 1 . PRO 10 10 7371 1 . ARG 11 11 7371 1 . SER 12 12 7371 1 . VAL 13 13 7371 1 . THR 14 14 7371 1 . LEU 15 15 7371 1 . PRO 16 16 7371 1 . ASP 17 17 7371 1 . GLY 18 18 7371 1 . SER 19 19 7371 1 . ILE 20 20 7371 1 . MET 21 21 7371 1 . THR 22 22 7371 1 . ARG 23 23 7371 1 . ALA 24 24 7371 1 . ASP 25 25 7371 1 . LEU 26 26 7371 1 . PRO 27 27 7371 1 . PRO 28 28 7371 1 . ALA 29 29 7371 1 . ASN 30 30 7371 1 . THR 31 31 7371 1 . ARG 32 32 7371 1 . ARG 33 33 7371 1 . TRP 34 34 7371 1 . VAL 35 35 7371 1 . ALA 36 36 7371 1 . SER 37 37 7371 1 . ARG 38 38 7371 1 . LYS 39 39 7371 1 . ILE 40 40 7371 1 . ALA 41 41 7371 1 . VAL 42 42 7371 1 . VAL 43 43 7371 1 . ARG 44 44 7371 1 . GLY 45 45 7371 1 . VAL 46 46 7371 1 . ILE 47 47 7371 1 . TYR 48 48 7371 1 . GLY 49 49 7371 1 . LEU 50 50 7371 1 . ILE 51 51 7371 1 . THR 52 52 7371 1 . LEU 53 53 7371 1 . ALA 54 54 7371 1 . GLU 55 55 7371 1 . ALA 56 56 7371 1 . LYS 57 57 7371 1 . GLN 58 58 7371 1 . THR 59 59 7371 1 . TYR 60 60 7371 1 . GLY 61 61 7371 1 . LEU 62 62 7371 1 . SER 63 63 7371 1 . ASP 64 64 7371 1 . GLU 65 65 7371 1 . GLU 66 66 7371 1 . PHE 67 67 7371 1 . ASN 68 68 7371 1 . SER 69 69 7371 1 . TRP 70 70 7371 1 . VAL 71 71 7371 1 . SER 72 72 7371 1 . ALA 73 73 7371 1 . LEU 74 74 7371 1 . ALA 75 75 7371 1 . GLU 76 76 7371 1 . HIS 77 77 7371 1 . GLY 78 78 7371 1 . LYS 79 79 7371 1 . ASP 80 80 7371 1 . ALA 81 81 7371 1 . LEU 82 82 7371 1 . LYS 83 83 7371 1 . VAL 84 84 7371 1 . THR 85 85 7371 1 . ALA 86 86 7371 1 . LEU 87 87 7371 1 . LYS 88 88 7371 1 . LYS 89 89 7371 1 . TYR 90 90 7371 1 . ARG 91 91 7371 1 . GLN 92 92 7371 1 . LEU 93 93 7371 1 . LEU 94 94 7371 1 . GLU 95 95 7371 1 . HIS 96 96 7371 1 . HIS 97 97 7371 1 . HIS 98 98 7371 1 . HIS 99 99 7371 1 . HIS 100 100 7371 1 . HIS 101 101 7371 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 7371 _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 $SiR5 . 89184 organism . 'Silicibacter pomeroyi' . . . . Bacteria Silicibacter Silicibacter pomeroyi . . . . . . . . . . . . . . . SPO1678 . . . . 7371 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 7371 _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 $SiR5 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . MS . . . . . . . . 7371 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7371 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0mM U-13C, 15N SiR5, 5% D2O, 95% H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '5% D2O, 95% H2O' _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 SiR5 '[U-13C; U-15N]' . . 1 $SiR5 . . 1.0 . . mM . . . . 7371 1 2 NaCl . . . . . . . 0.1 . . mM . . . . 7371 1 3 D2O . . . . . . . 5 . . % . . . . 7371 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 7371 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7371 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.150mM 5%-13C, 15N SiR5, 5% D2O, 95% H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '5% D2O, 95% H2O' _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 SiR5 '[U-5% 13C; U-15N]' . . 1 $SiR5 . . 1.150 . . mM . . . . 7371 2 2 NaCl . . . . . . . 0.1 . . M . . . . 7371 2 3 D2O . . . . . . . 5 . . % . . . . 7371 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 7371 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7371 _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' 0.1 . M 7371 1 pH 6.5 . pH 7371 1 pressure 1 . atm 7371 1 temperature 293 . K 7371 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7371 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Varian Inc.' . . 7371 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7371 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7371 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 7371 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7371 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 7371 _Software.ID 3 _Software.Name DYANA _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7371 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7371 _Software.ID 4 _Software.Name X-PLOR _Software.Version 2.11.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7371 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7371 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2005 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delaglio . . 7371 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7371 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 7371 _Software.ID 6 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Moseley et al.' . . 7371 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7371 6 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 7371 _Software.ID 7 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang et al.' . . 7371 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7371 7 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 7371 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7371 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 7371 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 600 . . . 7371 1 2 spectrometer_2 Varian INOVA . 600 . . . 7371 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 7371 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_13C-separated_NOESY no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 3 HCCH-TOCSY no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 4 HCCH-COSY no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 5 CccoNH-TOCSY no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 6 3D-HNCACB no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 7 HNcoCACB no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 8 HBHAcoNH no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 9 HNCA no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 10 HNCO no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 11 'C13_HSQC_noct Stereospecific VL Me assign' no . . . . . . . . . . 2 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 12 'Het-NOE, T1/Tirho' no . . . . . . . . . . 2 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 1 13 'C13 Aromatic NOESY' no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7371 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 7371 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 7371 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 7371 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 7371 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7371 _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_13C-separated_NOESY . . . 7371 1 2 3D_15N-separated_NOESY . . . 7371 1 3 HCCH-TOCSY . . . 7371 1 4 HCCH-COSY . . . 7371 1 5 CccoNH-TOCSY . . . 7371 1 6 3D-HNCACB . . . 7371 1 7 HNcoCACB . . . 7371 1 8 HBHAcoNH . . . 7371 1 9 HNCA . . . 7371 1 10 HNCO . . . 7371 1 11 'C13_HSQC_noct Stereospecific VL Me assign' . . . 7371 1 12 'Het-NOE, T1/Tirho' . . . 7371 1 13 'C13 Aromatic NOESY' . . . 7371 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.452 0.03 . 1 . . . . 2 MET HA . 7371 1 2 . 1 1 2 2 MET HB2 H 1 1.923 0.03 . 2 . . . . 2 MET HB2 . 7371 1 3 . 1 1 2 2 MET HB3 H 1 1.919 0.03 . 2 . . . . 2 MET HB3 . 7371 1 4 . 1 1 2 2 MET C C 13 175.069 0.5 . 1 . . . . 2 MET C . 7371 1 5 . 1 1 2 2 MET CA C 13 55.325 0.5 . 1 . . . . 2 MET CA . 7371 1 6 . 1 1 2 2 MET CB C 13 33.211 0.5 . 1 . . . . 2 MET CB . 7371 1 7 . 1 1 3 3 PHE H H 1 8.402 0.03 . 1 . . . . 3 PHE H . 7371 1 8 . 1 1 3 3 PHE HA H 1 4.602 0.03 . 1 . . . . 3 PHE HA . 7371 1 9 . 1 1 3 3 PHE HB2 H 1 3.050 0.03 . 2 . . . . 3 PHE HB2 . 7371 1 10 . 1 1 3 3 PHE HB3 H 1 2.974 0.03 . 2 . . . . 3 PHE HB3 . 7371 1 11 . 1 1 3 3 PHE HD1 H 1 7.196 0.03 . 3 . . . . 3 PHE HD1 . 7371 1 12 . 1 1 3 3 PHE HD2 H 1 7.202 0.03 . 3 . . . . 3 PHE HD2 . 7371 1 13 . 1 1 3 3 PHE HE1 H 1 7.285 0.03 . 3 . . . . 3 PHE HE1 . 7371 1 14 . 1 1 3 3 PHE HE2 H 1 7.298 0.03 . 3 . . . . 3 PHE HE2 . 7371 1 15 . 1 1 3 3 PHE C C 13 174.988 0.5 . 1 . . . . 3 PHE C . 7371 1 16 . 1 1 3 3 PHE CA C 13 57.676 0.5 . 1 . . . . 3 PHE CA . 7371 1 17 . 1 1 3 3 PHE CB C 13 39.625 0.5 . 1 . . . . 3 PHE CB . 7371 1 18 . 1 1 3 3 PHE CD1 C 13 132.803 0.5 . 3 . . . . 3 PHE CD1 . 7371 1 19 . 1 1 3 3 PHE CD2 C 13 132.803 0.5 . 3 . . . . 3 PHE CD2 . 7371 1 20 . 1 1 3 3 PHE CE1 C 13 130.927 0.5 . 3 . . . . 3 PHE CE1 . 7371 1 21 . 1 1 3 3 PHE CE2 C 13 130.927 0.5 . 3 . . . . 3 PHE CE2 . 7371 1 22 . 1 1 3 3 PHE N N 15 122.907 0.5 . 1 . . . . 3 PHE N . 7371 1 23 . 1 1 4 4 LEU H H 1 8.201 0.03 . 1 . . . . 4 LEU H . 7371 1 24 . 1 1 4 4 LEU HA H 1 4.305 0.03 . 1 . . . . 4 LEU HA . 7371 1 25 . 1 1 4 4 LEU HB2 H 1 1.508 0.03 . 2 . . . . 4 LEU HB2 . 7371 1 26 . 1 1 4 4 LEU HB3 H 1 1.507 0.03 . 2 . . . . 4 LEU HB3 . 7371 1 27 . 1 1 4 4 LEU HD11 H 1 0.877 0.03 . 1 . . . . 4 LEU HD1 . 7371 1 28 . 1 1 4 4 LEU HD12 H 1 0.877 0.03 . 1 . . . . 4 LEU HD1 . 7371 1 29 . 1 1 4 4 LEU HD13 H 1 0.877 0.03 . 1 . . . . 4 LEU HD1 . 7371 1 30 . 1 1 4 4 LEU HD21 H 1 0.834 0.03 . 1 . . . . 4 LEU HD2 . 7371 1 31 . 1 1 4 4 LEU HD22 H 1 0.834 0.03 . 1 . . . . 4 LEU HD2 . 7371 1 32 . 1 1 4 4 LEU HD23 H 1 0.834 0.03 . 1 . . . . 4 LEU HD2 . 7371 1 33 . 1 1 4 4 LEU HG H 1 0.880 0.03 . 1 . . . . 4 LEU HG . 7371 1 34 . 1 1 4 4 LEU C C 13 176.379 0.5 . 1 . . . . 4 LEU C . 7371 1 35 . 1 1 4 4 LEU CA C 13 54.780 0.5 . 1 . . . . 4 LEU CA . 7371 1 36 . 1 1 4 4 LEU CB C 13 42.661 0.5 . 1 . . . . 4 LEU CB . 7371 1 37 . 1 1 4 4 LEU CD1 C 13 24.890 0.5 . 1 . . . . 4 LEU CD1 . 7371 1 38 . 1 1 4 4 LEU CD2 C 13 23.845 0.5 . 1 . . . . 4 LEU CD2 . 7371 1 39 . 1 1 4 4 LEU CG C 13 26.930 0.5 . 1 . . . . 4 LEU CG . 7371 1 40 . 1 1 4 4 LEU N N 15 125.034 0.5 . 1 . . . . 4 LEU N . 7371 1 41 . 1 1 5 5 ARG H H 1 8.243 0.03 . 1 . . . . 5 ARG H . 7371 1 42 . 1 1 5 5 ARG HA H 1 4.258 0.03 . 1 . . . . 5 ARG HA . 7371 1 43 . 1 1 5 5 ARG HB2 H 1 1.767 0.03 . 2 . . . . 5 ARG HB2 . 7371 1 44 . 1 1 5 5 ARG HB3 H 1 1.721 0.03 . 2 . . . . 5 ARG HB3 . 7371 1 45 . 1 1 5 5 ARG HD2 H 1 3.193 0.03 . 2 . . . . 5 ARG HD2 . 7371 1 46 . 1 1 5 5 ARG HD3 H 1 3.188 0.03 . 2 . . . . 5 ARG HD3 . 7371 1 47 . 1 1 5 5 ARG HG2 H 1 1.592 0.03 . 2 . . . . 5 ARG HG2 . 7371 1 48 . 1 1 5 5 ARG HG3 H 1 1.591 0.03 . 2 . . . . 5 ARG HG3 . 7371 1 49 . 1 1 5 5 ARG C C 13 175.819 0.5 . 1 . . . . 5 ARG C . 7371 1 50 . 1 1 5 5 ARG CA C 13 55.960 0.5 . 1 . . . . 5 ARG CA . 7371 1 51 . 1 1 5 5 ARG CB C 13 30.885 0.5 . 1 . . . . 5 ARG CB . 7371 1 52 . 1 1 5 5 ARG CD C 13 43.363 0.5 . 1 . . . . 5 ARG CD . 7371 1 53 . 1 1 5 5 ARG CG C 13 26.730 0.5 . 1 . . . . 5 ARG CG . 7371 1 54 . 1 1 5 5 ARG N N 15 122.796 0.5 . 1 . . . . 5 ARG N . 7371 1 55 . 1 1 6 6 LYS H H 1 8.405 0.03 . 1 . . . . 6 LYS H . 7371 1 56 . 1 1 6 6 LYS HA H 1 4.302 0.03 . 1 . . . . 6 LYS HA . 7371 1 57 . 1 1 6 6 LYS HB2 H 1 1.770 0.03 . 2 . . . . 6 LYS HB2 . 7371 1 58 . 1 1 6 6 LYS HB3 H 1 1.729 0.03 . 2 . . . . 6 LYS HB3 . 7371 1 59 . 1 1 6 6 LYS HD2 H 1 1.658 0.03 . 2 . . . . 6 LYS HD2 . 7371 1 60 . 1 1 6 6 LYS HD3 H 1 1.661 0.03 . 2 . . . . 6 LYS HD3 . 7371 1 61 . 1 1 6 6 LYS HE2 H 1 2.957 0.03 . 2 . . . . 6 LYS HE2 . 7371 1 62 . 1 1 6 6 LYS HE3 H 1 2.961 0.03 . 2 . . . . 6 LYS HE3 . 7371 1 63 . 1 1 6 6 LYS HG2 H 1 1.404 0.03 . 2 . . . . 6 LYS HG2 . 7371 1 64 . 1 1 6 6 LYS HG3 H 1 1.341 0.03 . 2 . . . . 6 LYS HG3 . 7371 1 65 . 1 1 6 6 LYS C C 13 176.324 0.5 . 1 . . . . 6 LYS C . 7371 1 66 . 1 1 6 6 LYS CA C 13 56.315 0.5 . 1 . . . . 6 LYS CA . 7371 1 67 . 1 1 6 6 LYS CB C 13 33.224 0.5 . 1 . . . . 6 LYS CB . 7371 1 68 . 1 1 6 6 LYS CD C 13 29.087 0.5 . 1 . . . . 6 LYS CD . 7371 1 69 . 1 1 6 6 LYS CE C 13 42.029 0.5 . 1 . . . . 6 LYS CE . 7371 1 70 . 1 1 6 6 LYS CG C 13 24.555 0.5 . 1 . . . . 6 LYS CG . 7371 1 71 . 1 1 6 6 LYS N N 15 124.031 0.5 . 1 . . . . 6 LYS N . 7371 1 72 . 1 1 7 7 VAL H H 1 8.252 0.03 . 1 . . . . 7 VAL H . 7371 1 73 . 1 1 7 7 VAL HA H 1 4.103 0.03 . 1 . . . . 7 VAL HA . 7371 1 74 . 1 1 7 7 VAL HB H 1 2.019 0.03 . 1 . . . . 7 VAL HB . 7371 1 75 . 1 1 7 7 VAL HG11 H 1 0.895 0.03 . 1 . . . . 7 VAL HG1 . 7371 1 76 . 1 1 7 7 VAL HG12 H 1 0.895 0.03 . 1 . . . . 7 VAL HG1 . 7371 1 77 . 1 1 7 7 VAL HG13 H 1 0.895 0.03 . 1 . . . . 7 VAL HG1 . 7371 1 78 . 1 1 7 7 VAL HG21 H 1 0.903 0.03 . 1 . . . . 7 VAL HG2 . 7371 1 79 . 1 1 7 7 VAL HG22 H 1 0.903 0.03 . 1 . . . . 7 VAL HG2 . 7371 1 80 . 1 1 7 7 VAL HG23 H 1 0.903 0.03 . 1 . . . . 7 VAL HG2 . 7371 1 81 . 1 1 7 7 VAL C C 13 175.885 0.5 . 1 . . . . 7 VAL C . 7371 1 82 . 1 1 7 7 VAL CA C 13 62.092 0.5 . 1 . . . . 7 VAL CA . 7371 1 83 . 1 1 7 7 VAL CB C 13 32.930 0.5 . 1 . . . . 7 VAL CB . 7371 1 84 . 1 1 7 7 VAL CG1 C 13 21.129 0.5 . 1 . . . . 7 VAL CG1 . 7371 1 85 . 1 1 7 7 VAL CG2 C 13 20.650 0.5 . 1 . . . . 7 VAL CG2 . 7371 1 86 . 1 1 7 7 VAL N N 15 122.743 0.5 . 1 . . . . 7 VAL N . 7371 1 87 . 1 1 8 8 GLU H H 1 8.550 0.03 . 1 . . . . 8 GLU H . 7371 1 88 . 1 1 8 8 GLU HA H 1 4.362 0.03 . 1 . . . . 8 GLU HA . 7371 1 89 . 1 1 8 8 GLU HB2 H 1 2.050 0.03 . 2 . . . . 8 GLU HB2 . 7371 1 90 . 1 1 8 8 GLU HB3 H 1 1.918 0.03 . 2 . . . . 8 GLU HB3 . 7371 1 91 . 1 1 8 8 GLU HG2 H 1 2.269 0.03 . 2 . . . . 8 GLU HG2 . 7371 1 92 . 1 1 8 8 GLU HG3 H 1 2.272 0.03 . 2 . . . . 8 GLU HG3 . 7371 1 93 . 1 1 8 8 GLU C C 13 176.462 0.5 . 1 . . . . 8 GLU C . 7371 1 94 . 1 1 8 8 GLU CA C 13 56.312 0.5 . 1 . . . . 8 GLU CA . 7371 1 95 . 1 1 8 8 GLU CB C 13 30.880 0.5 . 1 . . . . 8 GLU CB . 7371 1 96 . 1 1 8 8 GLU CG C 13 36.121 0.5 . 1 . . . . 8 GLU CG . 7371 1 97 . 1 1 8 8 GLU N N 15 125.884 0.5 . 1 . . . . 8 GLU N . 7371 1 98 . 1 1 9 9 GLY H H 1 8.352 0.03 . 1 . . . . 9 GLY H . 7371 1 99 . 1 1 9 9 GLY HA2 H 1 4.189 0.03 . 2 . . . . 9 GLY HA2 . 7371 1 100 . 1 1 9 9 GLY HA3 H 1 4.078 0.03 . 2 . . . . 9 GLY HA3 . 7371 1 101 . 1 1 9 9 GLY CA C 13 44.512 0.5 . 1 . . . . 9 GLY CA . 7371 1 102 . 1 1 9 9 GLY N N 15 110.583 0.5 . 1 . . . . 9 GLY N . 7371 1 103 . 1 1 10 10 PRO HA H 1 4.527 0.03 . 1 . . . . 10 PRO HA . 7371 1 104 . 1 1 10 10 PRO HB2 H 1 2.350 0.03 . 2 . . . . 10 PRO HB2 . 7371 1 105 . 1 1 10 10 PRO HB3 H 1 2.005 0.03 . 2 . . . . 10 PRO HB3 . 7371 1 106 . 1 1 10 10 PRO HD2 H 1 3.726 0.03 . 2 . . . . 10 PRO HD2 . 7371 1 107 . 1 1 10 10 PRO HD3 H 1 3.630 0.03 . 2 . . . . 10 PRO HD3 . 7371 1 108 . 1 1 10 10 PRO HG2 H 1 2.030 0.03 . 2 . . . . 10 PRO HG2 . 7371 1 109 . 1 1 10 10 PRO HG3 H 1 2.032 0.03 . 2 . . . . 10 PRO HG3 . 7371 1 110 . 1 1 10 10 PRO C C 13 177.015 0.5 . 1 . . . . 10 PRO C . 7371 1 111 . 1 1 10 10 PRO CA C 13 62.902 0.5 . 1 . . . . 10 PRO CA . 7371 1 112 . 1 1 10 10 PRO CB C 13 32.325 0.5 . 1 . . . . 10 PRO CB . 7371 1 113 . 1 1 10 10 PRO CD C 13 49.720 0.5 . 1 . . . . 10 PRO CD . 7371 1 114 . 1 1 10 10 PRO CG C 13 27.391 0.5 . 1 . . . . 10 PRO CG . 7371 1 115 . 1 1 11 11 ARG H H 1 8.744 0.03 . 1 . . . . 11 ARG H . 7371 1 116 . 1 1 11 11 ARG HA H 1 4.255 0.03 . 1 . . . . 11 ARG HA . 7371 1 117 . 1 1 11 11 ARG HB2 H 1 1.901 0.03 . 2 . . . . 11 ARG HB2 . 7371 1 118 . 1 1 11 11 ARG HB3 H 1 1.872 0.03 . 2 . . . . 11 ARG HB3 . 7371 1 119 . 1 1 11 11 ARG HD2 H 1 3.244 0.03 . 2 . . . . 11 ARG HD2 . 7371 1 120 . 1 1 11 11 ARG HD3 H 1 3.251 0.03 . 2 . . . . 11 ARG HD3 . 7371 1 121 . 1 1 11 11 ARG HG2 H 1 1.642 0.03 . 2 . . . . 11 ARG HG2 . 7371 1 122 . 1 1 11 11 ARG HG3 H 1 1.691 0.03 . 2 . . . . 11 ARG HG3 . 7371 1 123 . 1 1 11 11 ARG C C 13 176.074 0.5 . 1 . . . . 11 ARG C . 7371 1 124 . 1 1 11 11 ARG CA C 13 57.206 0.5 . 1 . . . . 11 ARG CA . 7371 1 125 . 1 1 11 11 ARG CB C 13 30.947 0.5 . 1 . . . . 11 ARG CB . 7371 1 126 . 1 1 11 11 ARG CD C 13 43.273 0.5 . 1 . . . . 11 ARG CD . 7371 1 127 . 1 1 11 11 ARG CG C 13 27.560 0.5 . 1 . . . . 11 ARG CG . 7371 1 128 . 1 1 11 11 ARG N N 15 120.585 0.5 . 1 . . . . 11 ARG N . 7371 1 129 . 1 1 12 12 SER H H 1 7.815 0.03 . 1 . . . . 12 SER H . 7371 1 130 . 1 1 12 12 SER HA H 1 5.110 0.03 . 1 . . . . 12 SER HA . 7371 1 131 . 1 1 12 12 SER HB2 H 1 3.699 0.03 . 2 . . . . 12 SER HB2 . 7371 1 132 . 1 1 12 12 SER HB3 H 1 3.704 0.03 . 2 . . . . 12 SER HB3 . 7371 1 133 . 1 1 12 12 SER C C 13 172.591 0.5 . 1 . . . . 12 SER C . 7371 1 134 . 1 1 12 12 SER CA C 13 56.673 0.5 . 1 . . . . 12 SER CA . 7371 1 135 . 1 1 12 12 SER CB C 13 66.020 0.5 . 1 . . . . 12 SER CB . 7371 1 136 . 1 1 12 12 SER N N 15 112.433 0.5 . 1 . . . . 12 SER N . 7371 1 137 . 1 1 13 13 VAL H H 1 8.765 0.03 . 1 . . . . 13 VAL H . 7371 1 138 . 1 1 13 13 VAL HA H 1 4.658 0.03 . 1 . . . . 13 VAL HA . 7371 1 139 . 1 1 13 13 VAL HB H 1 2.086 0.03 . 1 . . . . 13 VAL HB . 7371 1 140 . 1 1 13 13 VAL HG11 H 1 0.827 0.03 . 1 . . . . 13 VAL HG1 . 7371 1 141 . 1 1 13 13 VAL HG12 H 1 0.827 0.03 . 1 . . . . 13 VAL HG1 . 7371 1 142 . 1 1 13 13 VAL HG13 H 1 0.827 0.03 . 1 . . . . 13 VAL HG1 . 7371 1 143 . 1 1 13 13 VAL HG21 H 1 0.733 0.03 . 1 . . . . 13 VAL HG2 . 7371 1 144 . 1 1 13 13 VAL HG22 H 1 0.733 0.03 . 1 . . . . 13 VAL HG2 . 7371 1 145 . 1 1 13 13 VAL HG23 H 1 0.733 0.03 . 1 . . . . 13 VAL HG2 . 7371 1 146 . 1 1 13 13 VAL C C 13 173.794 0.5 . 1 . . . . 13 VAL C . 7371 1 147 . 1 1 13 13 VAL CA C 13 59.992 0.5 . 1 . . . . 13 VAL CA . 7371 1 148 . 1 1 13 13 VAL CB C 13 35.652 0.5 . 1 . . . . 13 VAL CB . 7371 1 149 . 1 1 13 13 VAL CG1 C 13 21.572 0.5 . 1 . . . . 13 VAL CG1 . 7371 1 150 . 1 1 13 13 VAL CG2 C 13 19.546 0.5 . 1 . . . . 13 VAL CG2 . 7371 1 151 . 1 1 13 13 VAL N N 15 114.513 0.5 . 1 . . . . 13 VAL N . 7371 1 152 . 1 1 14 14 THR H H 1 8.432 0.03 . 1 . . . . 14 THR H . 7371 1 153 . 1 1 14 14 THR HA H 1 4.765 0.03 . 1 . . . . 14 THR HA . 7371 1 154 . 1 1 14 14 THR HB H 1 3.895 0.03 . 1 . . . . 14 THR HB . 7371 1 155 . 1 1 14 14 THR HG21 H 1 1.174 0.03 . 1 . . . . 14 THR HG2 . 7371 1 156 . 1 1 14 14 THR HG22 H 1 1.174 0.03 . 1 . . . . 14 THR HG2 . 7371 1 157 . 1 1 14 14 THR HG23 H 1 1.174 0.03 . 1 . . . . 14 THR HG2 . 7371 1 158 . 1 1 14 14 THR C C 13 174.361 0.5 . 1 . . . . 14 THR C . 7371 1 159 . 1 1 14 14 THR CA C 13 61.743 0.5 . 1 . . . . 14 THR CA . 7371 1 160 . 1 1 14 14 THR CB C 13 69.230 0.5 . 1 . . . . 14 THR CB . 7371 1 161 . 1 1 14 14 THR CG2 C 13 21.544 0.5 . 1 . . . . 14 THR CG2 . 7371 1 162 . 1 1 14 14 THR N N 15 119.014 0.5 . 1 . . . . 14 THR N . 7371 1 163 . 1 1 15 15 LEU H H 1 9.125 0.03 . 1 . . . . 15 LEU H . 7371 1 164 . 1 1 15 15 LEU HA H 1 4.036 0.03 . 1 . . . . 15 LEU HA . 7371 1 165 . 1 1 15 15 LEU HB2 H 1 1.679 0.03 . 2 . . . . 15 LEU HB2 . 7371 1 166 . 1 1 15 15 LEU HB3 H 1 1.338 0.03 . 2 . . . . 15 LEU HB3 . 7371 1 167 . 1 1 15 15 LEU HD11 H 1 0.633 0.03 . 1 . . . . 15 LEU HD1 . 7371 1 168 . 1 1 15 15 LEU HD12 H 1 0.633 0.03 . 1 . . . . 15 LEU HD1 . 7371 1 169 . 1 1 15 15 LEU HD13 H 1 0.633 0.03 . 1 . . . . 15 LEU HD1 . 7371 1 170 . 1 1 15 15 LEU HD21 H 1 0.438 0.03 . 1 . . . . 15 LEU HD2 . 7371 1 171 . 1 1 15 15 LEU HD22 H 1 0.438 0.03 . 1 . . . . 15 LEU HD2 . 7371 1 172 . 1 1 15 15 LEU HD23 H 1 0.438 0.03 . 1 . . . . 15 LEU HD2 . 7371 1 173 . 1 1 15 15 LEU HG H 1 1.166 0.03 . 1 . . . . 15 LEU HG . 7371 1 174 . 1 1 15 15 LEU CA C 13 54.088 0.5 . 1 . . . . 15 LEU CA . 7371 1 175 . 1 1 15 15 LEU CB C 13 39.661 0.5 . 1 . . . . 15 LEU CB . 7371 1 176 . 1 1 15 15 LEU CD1 C 13 24.997 0.5 . 1 . . . . 15 LEU CD1 . 7371 1 177 . 1 1 15 15 LEU CD2 C 13 23.512 0.5 . 1 . . . . 15 LEU CD2 . 7371 1 178 . 1 1 15 15 LEU CG C 13 28.445 0.5 . 1 . . . . 15 LEU CG . 7371 1 179 . 1 1 15 15 LEU N N 15 129.356 0.5 . 1 . . . . 15 LEU N . 7371 1 180 . 1 1 16 16 PRO HA H 1 4.249 0.03 . 1 . . . . 16 PRO HA . 7371 1 181 . 1 1 16 16 PRO HB2 H 1 2.394 0.03 . 2 . . . . 16 PRO HB2 . 7371 1 182 . 1 1 16 16 PRO HB3 H 1 1.871 0.03 . 2 . . . . 16 PRO HB3 . 7371 1 183 . 1 1 16 16 PRO HD2 H 1 3.426 0.03 . 2 . . . . 16 PRO HD2 . 7371 1 184 . 1 1 16 16 PRO HD3 H 1 3.279 0.03 . 2 . . . . 16 PRO HD3 . 7371 1 185 . 1 1 16 16 PRO HG2 H 1 2.172 0.03 . 2 . . . . 16 PRO HG2 . 7371 1 186 . 1 1 16 16 PRO HG3 H 1 2.042 0.03 . 2 . . . . 16 PRO HG3 . 7371 1 187 . 1 1 16 16 PRO C C 13 176.610 0.5 . 1 . . . . 16 PRO C . 7371 1 188 . 1 1 16 16 PRO CA C 13 65.562 0.5 . 1 . . . . 16 PRO CA . 7371 1 189 . 1 1 16 16 PRO CB C 13 31.786 0.5 . 1 . . . . 16 PRO CB . 7371 1 190 . 1 1 16 16 PRO CD C 13 50.752 0.5 . 1 . . . . 16 PRO CD . 7371 1 191 . 1 1 16 16 PRO CG C 13 28.023 0.5 . 1 . . . . 16 PRO CG . 7371 1 192 . 1 1 17 17 ASP H H 1 7.450 0.03 . 1 . . . . 17 ASP H . 7371 1 193 . 1 1 17 17 ASP HA H 1 4.480 0.03 . 1 . . . . 17 ASP HA . 7371 1 194 . 1 1 17 17 ASP HB2 H 1 3.041 0.03 . 2 . . . . 17 ASP HB2 . 7371 1 195 . 1 1 17 17 ASP HB3 H 1 2.548 0.03 . 2 . . . . 17 ASP HB3 . 7371 1 196 . 1 1 17 17 ASP C C 13 177.060 0.5 . 1 . . . . 17 ASP C . 7371 1 197 . 1 1 17 17 ASP CA C 13 53.124 0.5 . 1 . . . . 17 ASP CA . 7371 1 198 . 1 1 17 17 ASP CB C 13 39.728 0.5 . 1 . . . . 17 ASP CB . 7371 1 199 . 1 1 17 17 ASP N N 15 112.910 0.5 . 1 . . . . 17 ASP N . 7371 1 200 . 1 1 18 18 GLY H H 1 8.450 0.03 . 1 . . . . 18 GLY H . 7371 1 201 . 1 1 18 18 GLY HA2 H 1 4.274 0.03 . 2 . . . . 18 GLY HA2 . 7371 1 202 . 1 1 18 18 GLY HA3 H 1 3.449 0.03 . 2 . . . . 18 GLY HA3 . 7371 1 203 . 1 1 18 18 GLY C C 13 174.208 0.5 . 1 . . . . 18 GLY C . 7371 1 204 . 1 1 18 18 GLY CA C 13 44.898 0.5 . 1 . . . . 18 GLY CA . 7371 1 205 . 1 1 18 18 GLY N N 15 109.584 0.5 . 1 . . . . 18 GLY N . 7371 1 206 . 1 1 19 19 SER H H 1 8.139 0.03 . 1 . . . . 19 SER H . 7371 1 207 . 1 1 19 19 SER HA H 1 4.302 0.03 . 1 . . . . 19 SER HA . 7371 1 208 . 1 1 19 19 SER HB2 H 1 3.892 0.03 . 2 . . . . 19 SER HB2 . 7371 1 209 . 1 1 19 19 SER HB3 H 1 3.794 0.03 . 2 . . . . 19 SER HB3 . 7371 1 210 . 1 1 19 19 SER C C 13 171.644 0.5 . 1 . . . . 19 SER C . 7371 1 211 . 1 1 19 19 SER CA C 13 58.868 0.5 . 1 . . . . 19 SER CA . 7371 1 212 . 1 1 19 19 SER CB C 13 63.889 0.5 . 1 . . . . 19 SER CB . 7371 1 213 . 1 1 19 19 SER N N 15 118.145 0.5 . 1 . . . . 19 SER N . 7371 1 214 . 1 1 20 20 ILE H H 1 8.294 0.03 . 1 . . . . 20 ILE H . 7371 1 215 . 1 1 20 20 ILE HA H 1 4.923 0.03 . 1 . . . . 20 ILE HA . 7371 1 216 . 1 1 20 20 ILE HB H 1 1.686 0.03 . 1 . . . . 20 ILE HB . 7371 1 217 . 1 1 20 20 ILE HD11 H 1 0.771 0.03 . 1 . . . . 20 ILE HD1 . 7371 1 218 . 1 1 20 20 ILE HD12 H 1 0.771 0.03 . 1 . . . . 20 ILE HD1 . 7371 1 219 . 1 1 20 20 ILE HD13 H 1 0.771 0.03 . 1 . . . . 20 ILE HD1 . 7371 1 220 . 1 1 20 20 ILE HG12 H 1 1.468 0.03 . 2 . . . . 20 ILE HG12 . 7371 1 221 . 1 1 20 20 ILE HG13 H 1 1.161 0.03 . 2 . . . . 20 ILE HG13 . 7371 1 222 . 1 1 20 20 ILE HG21 H 1 0.788 0.03 . 1 . . . . 20 ILE HG2 . 7371 1 223 . 1 1 20 20 ILE HG22 H 1 0.788 0.03 . 1 . . . . 20 ILE HG2 . 7371 1 224 . 1 1 20 20 ILE HG23 H 1 0.788 0.03 . 1 . . . . 20 ILE HG2 . 7371 1 225 . 1 1 20 20 ILE C C 13 176.543 0.5 . 1 . . . . 20 ILE C . 7371 1 226 . 1 1 20 20 ILE CA C 13 59.622 0.5 . 1 . . . . 20 ILE CA . 7371 1 227 . 1 1 20 20 ILE CB C 13 40.026 0.5 . 1 . . . . 20 ILE CB . 7371 1 228 . 1 1 20 20 ILE CD1 C 13 12.912 0.5 . 1 . . . . 20 ILE CD1 . 7371 1 229 . 1 1 20 20 ILE CG1 C 13 27.371 0.5 . 1 . . . . 20 ILE CG1 . 7371 1 230 . 1 1 20 20 ILE CG2 C 13 17.988 0.5 . 1 . . . . 20 ILE CG2 . 7371 1 231 . 1 1 20 20 ILE N N 15 118.768 0.5 . 1 . . . . 20 ILE N . 7371 1 232 . 1 1 21 21 MET H H 1 9.017 0.03 . 1 . . . . 21 MET H . 7371 1 233 . 1 1 21 21 MET HA H 1 4.951 0.03 . 1 . . . . 21 MET HA . 7371 1 234 . 1 1 21 21 MET HB2 H 1 1.810 0.03 . 2 . . . . 21 MET HB2 . 7371 1 235 . 1 1 21 21 MET HB3 H 1 1.711 0.03 . 2 . . . . 21 MET HB3 . 7371 1 236 . 1 1 21 21 MET HE1 H 1 2.117 0.03 . 1 . . . . 21 MET HE . 7371 1 237 . 1 1 21 21 MET HE2 H 1 2.117 0.03 . 1 . . . . 21 MET HE . 7371 1 238 . 1 1 21 21 MET HE3 H 1 2.117 0.03 . 1 . . . . 21 MET HE . 7371 1 239 . 1 1 21 21 MET HG2 H 1 2.685 0.03 . 2 . . . . 21 MET HG2 . 7371 1 240 . 1 1 21 21 MET HG3 H 1 2.499 0.03 . 1 . . . . 21 MET HG3 . 7371 1 241 . 1 1 21 21 MET C C 13 174.507 0.5 . 1 . . . . 21 MET C . 7371 1 242 . 1 1 21 21 MET CA C 13 54.732 0.5 . 1 . . . . 21 MET CA . 7371 1 243 . 1 1 21 21 MET CB C 13 35.991 0.5 . 1 . . . . 21 MET CB . 7371 1 244 . 1 1 21 21 MET CE C 13 17.84 0.5 . 1 . . . . 21 MET CE . 7371 1 245 . 1 1 21 21 MET CG C 13 33.651 0.5 . 1 . . . . 21 MET CG . 7371 1 246 . 1 1 21 21 MET N N 15 127.497 0.5 . 1 . . . . 21 MET N . 7371 1 247 . 1 1 22 22 THR H H 1 9.218 0.03 . 1 . . . . 22 THR H . 7371 1 248 . 1 1 22 22 THR HA H 1 5.051 0.03 . 1 . . . . 22 THR HA . 7371 1 249 . 1 1 22 22 THR HB H 1 4.628 0.03 . 1 . . . . 22 THR HB . 7371 1 250 . 1 1 22 22 THR HG21 H 1 1.210 0.03 . 1 . . . . 22 THR HG2 . 7371 1 251 . 1 1 22 22 THR HG22 H 1 1.210 0.03 . 1 . . . . 22 THR HG2 . 7371 1 252 . 1 1 22 22 THR HG23 H 1 1.210 0.03 . 1 . . . . 22 THR HG2 . 7371 1 253 . 1 1 22 22 THR C C 13 176.106 0.5 . 1 . . . . 22 THR C . 7371 1 254 . 1 1 22 22 THR CA C 13 60.062 0.5 . 1 . . . . 22 THR CA . 7371 1 255 . 1 1 22 22 THR CB C 13 72.473 0.5 . 1 . . . . 22 THR CB . 7371 1 256 . 1 1 22 22 THR CG2 C 13 20.882 0.5 . 1 . . . . 22 THR CG2 . 7371 1 257 . 1 1 22 22 THR N N 15 115.588 0.5 . 1 . . . . 22 THR N . 7371 1 258 . 1 1 23 23 ARG H H 1 9.105 0.03 . 1 . . . . 23 ARG H . 7371 1 259 . 1 1 23 23 ARG HA H 1 3.919 0.03 . 1 . . . . 23 ARG HA . 7371 1 260 . 1 1 23 23 ARG HB2 H 1 2.014 0.03 . 2 . . . . 23 ARG HB2 . 7371 1 261 . 1 1 23 23 ARG HB3 H 1 1.861 0.03 . 2 . . . . 23 ARG HB3 . 7371 1 262 . 1 1 23 23 ARG HD2 H 1 3.237 0.03 . 2 . . . . 23 ARG HD2 . 7371 1 263 . 1 1 23 23 ARG HD3 H 1 3.211 0.03 . 2 . . . . 23 ARG HD3 . 7371 1 264 . 1 1 23 23 ARG HG2 H 1 1.516 0.03 . 2 . . . . 23 ARG HG2 . 7371 1 265 . 1 1 23 23 ARG C C 13 178.163 0.5 . 1 . . . . 23 ARG C . 7371 1 266 . 1 1 23 23 ARG CA C 13 60.039 0.5 . 1 . . . . 23 ARG CA . 7371 1 267 . 1 1 23 23 ARG CB C 13 29.396 0.5 . 1 . . . . 23 ARG CB . 7371 1 268 . 1 1 23 23 ARG CD C 13 43.065 0.5 . 1 . . . . 23 ARG CD . 7371 1 269 . 1 1 23 23 ARG CG C 13 26.96 0.5 . 1 . . . . 23 ARG CG . 7371 1 270 . 1 1 23 23 ARG N N 15 119.113 0.5 . 1 . . . . 23 ARG N . 7371 1 271 . 1 1 24 24 ALA H H 1 7.996 0.03 . 1 . . . . 24 ALA H . 7371 1 272 . 1 1 24 24 ALA HA H 1 4.202 0.03 . 1 . . . . 24 ALA HA . 7371 1 273 . 1 1 24 24 ALA HB1 H 1 1.341 0.03 . 1 . . . . 24 ALA HB . 7371 1 274 . 1 1 24 24 ALA HB2 H 1 1.341 0.03 . 1 . . . . 24 ALA HB . 7371 1 275 . 1 1 24 24 ALA HB3 H 1 1.341 0.03 . 1 . . . . 24 ALA HB . 7371 1 276 . 1 1 24 24 ALA C C 13 177.848 0.5 . 1 . . . . 24 ALA C . 7371 1 277 . 1 1 24 24 ALA CA C 13 53.941 0.5 . 1 . . . . 24 ALA CA . 7371 1 278 . 1 1 24 24 ALA CB C 13 18.207 0.5 . 1 . . . . 24 ALA CB . 7371 1 279 . 1 1 24 24 ALA N N 15 121.414 0.5 . 1 . . . . 24 ALA N . 7371 1 280 . 1 1 25 25 ASP H H 1 7.714 0.03 . 1 . . . . 25 ASP H . 7371 1 281 . 1 1 25 25 ASP HA H 1 4.569 0.03 . 1 . . . . 25 ASP HA . 7371 1 282 . 1 1 25 25 ASP HB2 H 1 2.905 0.03 . 2 . . . . 25 ASP HB2 . 7371 1 283 . 1 1 25 25 ASP HB3 H 1 2.900 0.03 . 2 . . . . 25 ASP HB3 . 7371 1 284 . 1 1 25 25 ASP C C 13 176.497 0.5 . 1 . . . . 25 ASP C . 7371 1 285 . 1 1 25 25 ASP CA C 13 55.162 0.5 . 1 . . . . 25 ASP CA . 7371 1 286 . 1 1 25 25 ASP CB C 13 42.355 0.5 . 1 . . . . 25 ASP CB . 7371 1 287 . 1 1 25 25 ASP N N 15 115.187 0.5 . 1 . . . . 25 ASP N . 7371 1 288 . 1 1 26 26 LEU H H 1 7.331 0.03 . 1 . . . . 26 LEU H . 7371 1 289 . 1 1 26 26 LEU HA H 1 4.426 0.03 . 1 . . . . 26 LEU HA . 7371 1 290 . 1 1 26 26 LEU HB2 H 1 1.979 0.03 . 2 . . . . 26 LEU HB2 . 7371 1 291 . 1 1 26 26 LEU HB3 H 1 1.782 0.03 . 2 . . . . 26 LEU HB3 . 7371 1 292 . 1 1 26 26 LEU HD11 H 1 1.086 0.03 . 1 . . . . 26 LEU HD1 . 7371 1 293 . 1 1 26 26 LEU HD12 H 1 1.086 0.03 . 1 . . . . 26 LEU HD1 . 7371 1 294 . 1 1 26 26 LEU HD13 H 1 1.086 0.03 . 1 . . . . 26 LEU HD1 . 7371 1 295 . 1 1 26 26 LEU HD21 H 1 0.922 0.03 . 1 . . . . 26 LEU HD2 . 7371 1 296 . 1 1 26 26 LEU HD22 H 1 0.922 0.03 . 1 . . . . 26 LEU HD2 . 7371 1 297 . 1 1 26 26 LEU HD23 H 1 0.922 0.03 . 1 . . . . 26 LEU HD2 . 7371 1 298 . 1 1 26 26 LEU HG H 1 1.719 0.03 . 1 . . . . 26 LEU HG . 7371 1 299 . 1 1 26 26 LEU CA C 13 52.802 0.5 . 1 . . . . 26 LEU CA . 7371 1 300 . 1 1 26 26 LEU CB C 13 40.125 0.5 . 1 . . . . 26 LEU CB . 7371 1 301 . 1 1 26 26 LEU CD1 C 13 26.758 0.5 . 1 . . . . 26 LEU CD1 . 7371 1 302 . 1 1 26 26 LEU CD2 C 13 24.119 0.5 . 1 . . . . 26 LEU CD2 . 7371 1 303 . 1 1 26 26 LEU CG C 13 27.333 0.5 . 1 . . . . 26 LEU CG . 7371 1 304 . 1 1 26 26 LEU N N 15 119.714 0.5 . 1 . . . . 26 LEU N . 7371 1 305 . 1 1 27 27 PRO HA H 1 4.779 0.03 . 1 . . . . 27 PRO HA . 7371 1 306 . 1 1 27 27 PRO HB2 H 1 2.166 0.03 . 2 . . . . 27 PRO HB2 . 7371 1 307 . 1 1 27 27 PRO HB3 H 1 1.905 0.03 . 2 . . . . 27 PRO HB3 . 7371 1 308 . 1 1 27 27 PRO HD2 H 1 3.833 0.03 . 2 . . . . 27 PRO HD2 . 7371 1 309 . 1 1 27 27 PRO HD3 H 1 3.663 0.03 . 2 . . . . 27 PRO HD3 . 7371 1 310 . 1 1 27 27 PRO HG2 H 1 2.169 0.03 . 2 . . . . 27 PRO HG2 . 7371 1 311 . 1 1 27 27 PRO HG3 H 1 2.145 0.03 . 2 . . . . 27 PRO HG3 . 7371 1 312 . 1 1 27 27 PRO CA C 13 61.351 0.5 . 1 . . . . 27 PRO CA . 7371 1 313 . 1 1 27 27 PRO CB C 13 30.212 0.5 . 1 . . . . 27 PRO CB . 7371 1 314 . 1 1 27 27 PRO CD C 13 50.128 0.5 . 1 . . . . 27 PRO CD . 7371 1 315 . 1 1 27 27 PRO CG C 13 28.059 0.5 . 1 . . . . 27 PRO CG . 7371 1 316 . 1 1 28 28 PRO HA H 1 4.545 0.03 . 1 . . . . 28 PRO HA . 7371 1 317 . 1 1 28 28 PRO HB2 H 1 2.403 0.03 . 2 . . . . 28 PRO HB2 . 7371 1 318 . 1 1 28 28 PRO HB3 H 1 1.980 0.03 . 2 . . . . 28 PRO HB3 . 7371 1 319 . 1 1 28 28 PRO HD2 H 1 3.846 0.03 . 2 . . . . 28 PRO HD2 . 7371 1 320 . 1 1 28 28 PRO HD3 H 1 3.407 0.03 . 2 . . . . 28 PRO HD3 . 7371 1 321 . 1 1 28 28 PRO HG2 H 1 2.062 0.03 . 2 . . . . 28 PRO HG2 . 7371 1 322 . 1 1 28 28 PRO HG3 H 1 2.022 0.03 . 2 . . . . 28 PRO HG3 . 7371 1 323 . 1 1 28 28 PRO C C 13 178.356 0.5 . 1 . . . . 28 PRO C . 7371 1 324 . 1 1 28 28 PRO CA C 13 63.014 0.5 . 1 . . . . 28 PRO CA . 7371 1 325 . 1 1 28 28 PRO CB C 13 32.180 0.5 . 1 . . . . 28 PRO CB . 7371 1 326 . 1 1 28 28 PRO CD C 13 50.536 0.5 . 1 . . . . 28 PRO CD . 7371 1 327 . 1 1 28 28 PRO CG C 13 27.592 0.5 . 1 . . . . 28 PRO CG . 7371 1 328 . 1 1 29 29 ALA H H 1 9.068 0.03 . 1 . . . . 29 ALA H . 7371 1 329 . 1 1 29 29 ALA HA H 1 4.000 0.03 . 1 . . . . 29 ALA HA . 7371 1 330 . 1 1 29 29 ALA HB1 H 1 1.380 0.03 . 1 . . . . 29 ALA HB . 7371 1 331 . 1 1 29 29 ALA HB2 H 1 1.380 0.03 . 1 . . . . 29 ALA HB . 7371 1 332 . 1 1 29 29 ALA HB3 H 1 1.380 0.03 . 1 . . . . 29 ALA HB . 7371 1 333 . 1 1 29 29 ALA C C 13 176.845 0.5 . 1 . . . . 29 ALA C . 7371 1 334 . 1 1 29 29 ALA CA C 13 54.847 0.5 . 1 . . . . 29 ALA CA . 7371 1 335 . 1 1 29 29 ALA CB C 13 18.673 0.5 . 1 . . . . 29 ALA CB . 7371 1 336 . 1 1 29 29 ALA N N 15 126.662 0.5 . 1 . . . . 29 ALA N . 7371 1 337 . 1 1 30 30 ASN H H 1 7.937 0.03 . 1 . . . . 30 ASN H . 7371 1 338 . 1 1 30 30 ASN HA H 1 4.669 0.03 . 1 . . . . 30 ASN HA . 7371 1 339 . 1 1 30 30 ASN HB2 H 1 3.091 0.03 . 2 . . . . 30 ASN HB2 . 7371 1 340 . 1 1 30 30 ASN HB3 H 1 2.777 0.03 . 2 . . . . 30 ASN HB3 . 7371 1 341 . 1 1 30 30 ASN HD21 H 1 7.534 0.03 . 2 . . . . 30 ASN HD21 . 7371 1 342 . 1 1 30 30 ASN HD22 H 1 6.725 0.03 . 2 . . . . 30 ASN HD22 . 7371 1 343 . 1 1 30 30 ASN C C 13 175.694 0.5 . 1 . . . . 30 ASN C . 7371 1 344 . 1 1 30 30 ASN CA C 13 52.507 0.5 . 1 . . . . 30 ASN CA . 7371 1 345 . 1 1 30 30 ASN CB C 13 36.911 0.5 . 1 . . . . 30 ASN CB . 7371 1 346 . 1 1 30 30 ASN N N 15 112.200 0.5 . 1 . . . . 30 ASN N . 7371 1 347 . 1 1 30 30 ASN ND2 N 15 110.684 0.5 . 1 . . . . 30 ASN ND2 . 7371 1 348 . 1 1 31 31 THR H H 1 7.637 0.03 . 1 . . . . 31 THR H . 7371 1 349 . 1 1 31 31 THR HA H 1 3.592 0.03 . 1 . . . . 31 THR HA . 7371 1 350 . 1 1 31 31 THR HB H 1 3.596 0.03 . 1 . . . . 31 THR HB . 7371 1 351 . 1 1 31 31 THR HG1 H 1 6.271 0.03 . 1 . . . . 31 THR HG1 . 7371 1 352 . 1 1 31 31 THR HG21 H 1 -0.287 0.03 . 1 . . . . 31 THR HG2 . 7371 1 353 . 1 1 31 31 THR HG22 H 1 -0.287 0.03 . 1 . . . . 31 THR HG2 . 7371 1 354 . 1 1 31 31 THR HG23 H 1 -0.287 0.03 . 1 . . . . 31 THR HG2 . 7371 1 355 . 1 1 31 31 THR CA C 13 66.058 0.5 . 1 . . . . 31 THR CA . 7371 1 356 . 1 1 31 31 THR CB C 13 70.174 0.5 . 1 . . . . 31 THR CB . 7371 1 357 . 1 1 31 31 THR CG2 C 13 19.635 0.5 . 1 . . . . 31 THR CG2 . 7371 1 358 . 1 1 31 31 THR N N 15 117.532 0.5 . 1 . . . . 31 THR N . 7371 1 359 . 1 1 32 32 ARG HA H 1 4.633 0.03 . 1 . . . . 32 ARG HA . 7371 1 360 . 1 1 32 32 ARG HB2 H 1 2.006 0.03 . 2 . . . . 32 ARG HB2 . 7371 1 361 . 1 1 32 32 ARG HB3 H 1 1.680 0.03 . 2 . . . . 32 ARG HB3 . 7371 1 362 . 1 1 32 32 ARG HD2 H 1 3.432 0.03 . 2 . . . . 32 ARG HD2 . 7371 1 363 . 1 1 32 32 ARG HD3 H 1 3.241 0.03 . 2 . . . . 32 ARG HD3 . 7371 1 364 . 1 1 32 32 ARG HG2 H 1 1.696 0.03 . 2 . . . . 32 ARG HG2 . 7371 1 365 . 1 1 32 32 ARG HG3 H 1 1.691 0.03 . 2 . . . . 32 ARG HG3 . 7371 1 366 . 1 1 32 32 ARG C C 13 175.138 0.5 . 1 . . . . 32 ARG C . 7371 1 367 . 1 1 32 32 ARG CA C 13 55.057 0.5 . 1 . . . . 32 ARG CA . 7371 1 368 . 1 1 32 32 ARG CB C 13 32.277 0.5 . 1 . . . . 32 ARG CB . 7371 1 369 . 1 1 32 32 ARG CD C 13 43.07 0.5 . 1 . . . . 32 ARG CD . 7371 1 370 . 1 1 33 33 ARG H H 1 7.461 0.03 . 1 . . . . 33 ARG H . 7371 1 371 . 1 1 33 33 ARG HA H 1 4.534 0.03 . 1 . . . . 33 ARG HA . 7371 1 372 . 1 1 33 33 ARG HB2 H 1 1.663 0.03 . 2 . . . . 33 ARG HB2 . 7371 1 373 . 1 1 33 33 ARG HB3 H 1 1.642 0.03 . 2 . . . . 33 ARG HB3 . 7371 1 374 . 1 1 33 33 ARG HD2 H 1 3.169 0.03 . 2 . . . . 33 ARG HD2 . 7371 1 375 . 1 1 33 33 ARG HD3 H 1 3.171 0.03 . 2 . . . . 33 ARG HD3 . 7371 1 376 . 1 1 33 33 ARG HG2 H 1 1.550 0.03 . 2 . . . . 33 ARG HG2 . 7371 1 377 . 1 1 33 33 ARG HG3 H 1 1.445 0.03 . 2 . . . . 33 ARG HG3 . 7371 1 378 . 1 1 33 33 ARG C C 13 175.245 0.5 . 1 . . . . 33 ARG C . 7371 1 379 . 1 1 33 33 ARG CA C 13 54.642 0.5 . 1 . . . . 33 ARG CA . 7371 1 380 . 1 1 33 33 ARG CB C 13 30.206 0.5 . 1 . . . . 33 ARG CB . 7371 1 381 . 1 1 33 33 ARG CD C 13 43.258 0.5 . 1 . . . . 33 ARG CD . 7371 1 382 . 1 1 33 33 ARG CG C 13 25.694 0.5 . 1 . . . . 33 ARG CG . 7371 1 383 . 1 1 33 33 ARG N N 15 121.313 0.5 . 1 . . . . 33 ARG N . 7371 1 384 . 1 1 34 34 TRP H H 1 8.929 0.03 . 1 . . . . 34 TRP H . 7371 1 385 . 1 1 34 34 TRP HA H 1 4.268 0.03 . 1 . . . . 34 TRP HA . 7371 1 386 . 1 1 34 34 TRP HB2 H 1 2.920 0.03 . 2 . . . . 34 TRP HB2 . 7371 1 387 . 1 1 34 34 TRP HB3 H 1 2.685 0.03 . 2 . . . . 34 TRP HB3 . 7371 1 388 . 1 1 34 34 TRP HD1 H 1 7.238 0.03 . 1 . . . . 34 TRP HD1 . 7371 1 389 . 1 1 34 34 TRP HE1 H 1 10.277 0.03 . 1 . . . . 34 TRP HE1 . 7371 1 390 . 1 1 34 34 TRP HE3 H 1 6.771 0.03 . 1 . . . . 34 TRP HE3 . 7371 1 391 . 1 1 34 34 TRP HH2 H 1 6.163 0.03 . 1 . . . . 34 TRP HH2 . 7371 1 392 . 1 1 34 34 TRP HZ2 H 1 7.612 0.03 . 1 . . . . 34 TRP HZ2 . 7371 1 393 . 1 1 34 34 TRP HZ3 H 1 6.567 0.03 . 1 . . . . 34 TRP HZ3 . 7371 1 394 . 1 1 34 34 TRP C C 13 176.143 0.5 . 1 . . . . 34 TRP C . 7371 1 395 . 1 1 34 34 TRP CA C 13 57.037 0.5 . 1 . . . . 34 TRP CA . 7371 1 396 . 1 1 34 34 TRP CB C 13 28.503 0.5 . 1 . . . . 34 TRP CB . 7371 1 397 . 1 1 34 34 TRP CD1 C 13 126.797 0.5 . 1 . . . . 34 TRP CD1 . 7371 1 398 . 1 1 34 34 TRP CE3 C 13 120.249 0.5 . 1 . . . . 34 TRP CE3 . 7371 1 399 . 1 1 34 34 TRP CH2 C 13 123.256 0.5 . 1 . . . . 34 TRP CH2 . 7371 1 400 . 1 1 34 34 TRP CZ2 C 13 115.267 0.5 . 1 . . . . 34 TRP CZ2 . 7371 1 401 . 1 1 34 34 TRP CZ3 C 13 121.273 0.5 . 1 . . . . 34 TRP CZ3 . 7371 1 402 . 1 1 34 34 TRP N N 15 129.038 0.5 . 1 . . . . 34 TRP N . 7371 1 403 . 1 1 34 34 TRP NE1 N 15 128.701 0.5 . 1 . . . . 34 TRP NE1 . 7371 1 404 . 1 1 35 35 VAL H H 1 6.793 0.03 . 1 . . . . 35 VAL H . 7371 1 405 . 1 1 35 35 VAL HA H 1 4.455 0.03 . 1 . . . . 35 VAL HA . 7371 1 406 . 1 1 35 35 VAL HB H 1 2.463 0.03 . 1 . . . . 35 VAL HB . 7371 1 407 . 1 1 35 35 VAL HG11 H 1 0.929 0.03 . 1 . . . . 35 VAL HG1 . 7371 1 408 . 1 1 35 35 VAL HG12 H 1 0.929 0.03 . 1 . . . . 35 VAL HG1 . 7371 1 409 . 1 1 35 35 VAL HG13 H 1 0.929 0.03 . 1 . . . . 35 VAL HG1 . 7371 1 410 . 1 1 35 35 VAL HG21 H 1 0.851 0.03 . 1 . . . . 35 VAL HG2 . 7371 1 411 . 1 1 35 35 VAL HG22 H 1 0.851 0.03 . 1 . . . . 35 VAL HG2 . 7371 1 412 . 1 1 35 35 VAL HG23 H 1 0.851 0.03 . 1 . . . . 35 VAL HG2 . 7371 1 413 . 1 1 35 35 VAL CA C 13 60.049 0.5 . 1 . . . . 35 VAL CA . 7371 1 414 . 1 1 35 35 VAL CB C 13 32.820 0.5 . 1 . . . . 35 VAL CB . 7371 1 415 . 1 1 35 35 VAL CG1 C 13 21.860 0.5 . 1 . . . . 35 VAL CG1 . 7371 1 416 . 1 1 35 35 VAL CG2 C 13 18.235 0.5 . 1 . . . . 35 VAL CG2 . 7371 1 417 . 1 1 35 35 VAL N N 15 114.479 0.5 . 1 . . . . 35 VAL N . 7371 1 418 . 1 1 36 36 ALA HA H 1 3.728 0.03 . 1 . . . . 36 ALA HA . 7371 1 419 . 1 1 36 36 ALA HB1 H 1 1.421 0.03 . 1 . . . . 36 ALA HB . 7371 1 420 . 1 1 36 36 ALA HB2 H 1 1.421 0.03 . 1 . . . . 36 ALA HB . 7371 1 421 . 1 1 36 36 ALA HB3 H 1 1.421 0.03 . 1 . . . . 36 ALA HB . 7371 1 422 . 1 1 36 36 ALA C C 13 179.139 0.5 . 1 . . . . 36 ALA C . 7371 1 423 . 1 1 36 36 ALA CA C 13 56.796 0.5 . 1 . . . . 36 ALA CA . 7371 1 424 . 1 1 36 36 ALA CB C 13 18.123 0.5 . 1 . . . . 36 ALA CB . 7371 1 425 . 1 1 37 37 SER H H 1 8.726 0.03 . 1 . . . . 37 SER H . 7371 1 426 . 1 1 37 37 SER HA H 1 4.015 0.03 . 1 . . . . 37 SER HA . 7371 1 427 . 1 1 37 37 SER HB2 H 1 3.878 0.03 . 2 . . . . 37 SER HB2 . 7371 1 428 . 1 1 37 37 SER HB3 H 1 3.869 0.03 . 2 . . . . 37 SER HB3 . 7371 1 429 . 1 1 37 37 SER C C 13 177.102 0.5 . 1 . . . . 37 SER C . 7371 1 430 . 1 1 37 37 SER CA C 13 61.606 0.5 . 1 . . . . 37 SER CA . 7371 1 431 . 1 1 37 37 SER CB C 13 61.650 0.5 . 1 . . . . 37 SER CB . 7371 1 432 . 1 1 37 37 SER N N 15 110.273 0.5 . 1 . . . . 37 SER N . 7371 1 433 . 1 1 38 38 ARG H H 1 7.178 0.03 . 1 . . . . 38 ARG H . 7371 1 434 . 1 1 38 38 ARG HA H 1 4.340 0.03 . 1 . . . . 38 ARG HA . 7371 1 435 . 1 1 38 38 ARG HB2 H 1 1.914 0.03 . 2 . . . . 38 ARG HB2 . 7371 1 436 . 1 1 38 38 ARG HB3 H 1 1.917 0.03 . 2 . . . . 38 ARG HB3 . 7371 1 437 . 1 1 38 38 ARG HD2 H 1 2.960 0.03 . 2 . . . . 38 ARG HD2 . 7371 1 438 . 1 1 38 38 ARG HD3 H 1 2.921 0.03 . 2 . . . . 38 ARG HD3 . 7371 1 439 . 1 1 38 38 ARG HG2 H 1 1.683 0.03 . 2 . . . . 38 ARG HG2 . 7371 1 440 . 1 1 38 38 ARG HG3 H 1 1.635 0.03 . 2 . . . . 38 ARG HG3 . 7371 1 441 . 1 1 38 38 ARG C C 13 177.390 0.5 . 1 . . . . 38 ARG C . 7371 1 442 . 1 1 38 38 ARG CA C 13 58.959 0.5 . 1 . . . . 38 ARG CA . 7371 1 443 . 1 1 38 38 ARG CB C 13 31.349 0.5 . 1 . . . . 38 ARG CB . 7371 1 444 . 1 1 38 38 ARG CD C 13 43.974 0.5 . 1 . . . . 38 ARG CD . 7371 1 445 . 1 1 38 38 ARG N N 15 122.023 0.5 . 1 . . . . 38 ARG N . 7371 1 446 . 1 1 39 39 LYS H H 1 7.516 0.03 . 1 . . . . 39 LYS H . 7371 1 447 . 1 1 39 39 LYS HA H 1 3.514 0.03 . 1 . . . . 39 LYS HA . 7371 1 448 . 1 1 39 39 LYS HB2 H 1 1.373 0.03 . 2 . . . . 39 LYS HB2 . 7371 1 449 . 1 1 39 39 LYS HB3 H 1 0.682 0.03 . 2 . . . . 39 LYS HB3 . 7371 1 450 . 1 1 39 39 LYS HD2 H 1 0.589 0.03 . 2 . . . . 39 LYS HD2 . 7371 1 451 . 1 1 39 39 LYS HD3 H 1 0.248 0.03 . 2 . . . . 39 LYS HD3 . 7371 1 452 . 1 1 39 39 LYS HE2 H 1 2.304 0.03 . 2 . . . . 39 LYS HE2 . 7371 1 453 . 1 1 39 39 LYS HE3 H 1 2.097 0.03 . 2 . . . . 39 LYS HE3 . 7371 1 454 . 1 1 39 39 LYS HG2 H 1 0.712 0.03 . 2 . . . . 39 LYS HG2 . 7371 1 455 . 1 1 39 39 LYS HG3 H 1 0.746 0.03 . 2 . . . . 39 LYS HG3 . 7371 1 456 . 1 1 39 39 LYS C C 13 178.876 0.5 . 1 . . . . 39 LYS C . 7371 1 457 . 1 1 39 39 LYS CA C 13 59.910 0.5 . 1 . . . . 39 LYS CA . 7371 1 458 . 1 1 39 39 LYS CB C 13 33.494 0.5 . 1 . . . . 39 LYS CB . 7371 1 459 . 1 1 39 39 LYS CD C 13 29.447 0.5 . 1 . . . . 39 LYS CD . 7371 1 460 . 1 1 39 39 LYS CE C 13 41.465 0.5 . 1 . . . . 39 LYS CE . 7371 1 461 . 1 1 39 39 LYS CG C 13 24.636 0.5 . 1 . . . . 39 LYS CG . 7371 1 462 . 1 1 39 39 LYS N N 15 118.708 0.5 . 1 . . . . 39 LYS N . 7371 1 463 . 1 1 40 40 ILE H H 1 8.256 0.03 . 1 . . . . 40 ILE H . 7371 1 464 . 1 1 40 40 ILE HA H 1 3.490 0.03 . 1 . . . . 40 ILE HA . 7371 1 465 . 1 1 40 40 ILE HB H 1 1.711 0.03 . 1 . . . . 40 ILE HB . 7371 1 466 . 1 1 40 40 ILE HD11 H 1 0.741 0.03 . 1 . . . . 40 ILE HD1 . 7371 1 467 . 1 1 40 40 ILE HD12 H 1 0.741 0.03 . 1 . . . . 40 ILE HD1 . 7371 1 468 . 1 1 40 40 ILE HD13 H 1 0.741 0.03 . 1 . . . . 40 ILE HD1 . 7371 1 469 . 1 1 40 40 ILE HG12 H 1 1.542 0.03 . 2 . . . . 40 ILE HG12 . 7371 1 470 . 1 1 40 40 ILE HG13 H 1 1.003 0.03 . 2 . . . . 40 ILE HG13 . 7371 1 471 . 1 1 40 40 ILE HG21 H 1 0.862 0.03 . 1 . . . . 40 ILE HG2 . 7371 1 472 . 1 1 40 40 ILE HG22 H 1 0.862 0.03 . 1 . . . . 40 ILE HG2 . 7371 1 473 . 1 1 40 40 ILE HG23 H 1 0.862 0.03 . 1 . . . . 40 ILE HG2 . 7371 1 474 . 1 1 40 40 ILE C C 13 176.841 0.5 . 1 . . . . 40 ILE C . 7371 1 475 . 1 1 40 40 ILE CA C 13 64.770 0.5 . 1 . . . . 40 ILE CA . 7371 1 476 . 1 1 40 40 ILE CB C 13 38.053 0.5 . 1 . . . . 40 ILE CB . 7371 1 477 . 1 1 40 40 ILE CD1 C 13 13.525 0.5 . 1 . . . . 40 ILE CD1 . 7371 1 478 . 1 1 40 40 ILE CG1 C 13 30.589 0.5 . 1 . . . . 40 ILE CG1 . 7371 1 479 . 1 1 40 40 ILE CG2 C 13 17.235 0.5 . 1 . . . . 40 ILE CG2 . 7371 1 480 . 1 1 40 40 ILE N N 15 116.257 0.5 . 1 . . . . 40 ILE N . 7371 1 481 . 1 1 41 41 ALA H H 1 7.151 0.03 . 1 . . . . 41 ALA H . 7371 1 482 . 1 1 41 41 ALA HA H 1 4.178 0.03 . 1 . . . . 41 ALA HA . 7371 1 483 . 1 1 41 41 ALA HB1 H 1 1.643 0.03 . 1 . . . . 41 ALA HB . 7371 1 484 . 1 1 41 41 ALA HB2 H 1 1.643 0.03 . 1 . . . . 41 ALA HB . 7371 1 485 . 1 1 41 41 ALA HB3 H 1 1.643 0.03 . 1 . . . . 41 ALA HB . 7371 1 486 . 1 1 41 41 ALA C C 13 179.411 0.5 . 1 . . . . 41 ALA C . 7371 1 487 . 1 1 41 41 ALA CA C 13 55.733 0.5 . 1 . . . . 41 ALA CA . 7371 1 488 . 1 1 41 41 ALA CB C 13 18.793 0.5 . 1 . . . . 41 ALA CB . 7371 1 489 . 1 1 41 41 ALA N N 15 121.890 0.5 . 1 . . . . 41 ALA N . 7371 1 490 . 1 1 42 42 VAL H H 1 7.370 0.03 . 1 . . . . 42 VAL H . 7371 1 491 . 1 1 42 42 VAL HA H 1 3.549 0.03 . 1 . . . . 42 VAL HA . 7371 1 492 . 1 1 42 42 VAL HB H 1 2.416 0.03 . 1 . . . . 42 VAL HB . 7371 1 493 . 1 1 42 42 VAL HG11 H 1 1.006 0.03 . 1 . . . . 42 VAL HG1 . 7371 1 494 . 1 1 42 42 VAL HG12 H 1 1.006 0.03 . 1 . . . . 42 VAL HG1 . 7371 1 495 . 1 1 42 42 VAL HG13 H 1 1.006 0.03 . 1 . . . . 42 VAL HG1 . 7371 1 496 . 1 1 42 42 VAL HG21 H 1 1.025 0.03 . 1 . . . . 42 VAL HG2 . 7371 1 497 . 1 1 42 42 VAL HG22 H 1 1.025 0.03 . 1 . . . . 42 VAL HG2 . 7371 1 498 . 1 1 42 42 VAL HG23 H 1 1.025 0.03 . 1 . . . . 42 VAL HG2 . 7371 1 499 . 1 1 42 42 VAL C C 13 177.337 0.5 . 1 . . . . 42 VAL C . 7371 1 500 . 1 1 42 42 VAL CA C 13 67.622 0.5 . 1 . . . . 42 VAL CA . 7371 1 501 . 1 1 42 42 VAL CB C 13 31.873 0.5 . 1 . . . . 42 VAL CB . 7371 1 502 . 1 1 42 42 VAL CG1 C 13 21.355 0.5 . 1 . . . . 42 VAL CG1 . 7371 1 503 . 1 1 42 42 VAL CG2 C 13 24.057 0.5 . 1 . . . . 42 VAL CG2 . 7371 1 504 . 1 1 42 42 VAL N N 15 116.609 0.5 . 1 . . . . 42 VAL N . 7371 1 505 . 1 1 43 43 VAL H H 1 8.357 0.03 . 1 . . . . 43 VAL H . 7371 1 506 . 1 1 43 43 VAL HA H 1 3.702 0.03 . 1 . . . . 43 VAL HA . 7371 1 507 . 1 1 43 43 VAL HB H 1 2.113 0.03 . 1 . . . . 43 VAL HB . 7371 1 508 . 1 1 43 43 VAL HG11 H 1 0.850 0.03 . 1 . . . . 43 VAL HG1 . 7371 1 509 . 1 1 43 43 VAL HG12 H 1 0.850 0.03 . 1 . . . . 43 VAL HG1 . 7371 1 510 . 1 1 43 43 VAL HG13 H 1 0.850 0.03 . 1 . . . . 43 VAL HG1 . 7371 1 511 . 1 1 43 43 VAL HG21 H 1 0.895 0.03 . 1 . . . . 43 VAL HG2 . 7371 1 512 . 1 1 43 43 VAL HG22 H 1 0.895 0.03 . 1 . . . . 43 VAL HG2 . 7371 1 513 . 1 1 43 43 VAL HG23 H 1 0.895 0.03 . 1 . . . . 43 VAL HG2 . 7371 1 514 . 1 1 43 43 VAL C C 13 178.307 0.5 . 1 . . . . 43 VAL C . 7371 1 515 . 1 1 43 43 VAL CA C 13 67.617 0.5 . 1 . . . . 43 VAL CA . 7371 1 516 . 1 1 43 43 VAL CB C 13 31.701 0.5 . 1 . . . . 43 VAL CB . 7371 1 517 . 1 1 43 43 VAL CG1 C 13 23.038 0.5 . 2 . . . . 43 VAL CG1 . 7371 1 518 . 1 1 43 43 VAL CG2 C 13 23.175 0.5 . 2 . . . . 43 VAL CG2 . 7371 1 519 . 1 1 43 43 VAL N N 15 118.053 0.5 . 1 . . . . 43 VAL N . 7371 1 520 . 1 1 44 44 ARG H H 1 9.051 0.03 . 1 . . . . 44 ARG H . 7371 1 521 . 1 1 44 44 ARG HA H 1 3.906 0.03 . 1 . . . . 44 ARG HA . 7371 1 522 . 1 1 44 44 ARG HB2 H 1 2.010 0.03 . 2 . . . . 44 ARG HB2 . 7371 1 523 . 1 1 44 44 ARG HB3 H 1 1.889 0.03 . 2 . . . . 44 ARG HB3 . 7371 1 524 . 1 1 44 44 ARG HD2 H 1 3.194 0.03 . 2 . . . . 44 ARG HD2 . 7371 1 525 . 1 1 44 44 ARG HD3 H 1 3.042 0.03 . 2 . . . . 44 ARG HD3 . 7371 1 526 . 1 1 44 44 ARG HG2 H 1 2.083 0.03 . 2 . . . . 44 ARG HG2 . 7371 1 527 . 1 1 44 44 ARG HG3 H 1 1.640 0.03 . 2 . . . . 44 ARG HG3 . 7371 1 528 . 1 1 44 44 ARG C C 13 177.929 0.5 . 1 . . . . 44 ARG C . 7371 1 529 . 1 1 44 44 ARG CA C 13 60.487 0.5 . 1 . . . . 44 ARG CA . 7371 1 530 . 1 1 44 44 ARG CB C 13 31.004 0.5 . 1 . . . . 44 ARG CB . 7371 1 531 . 1 1 44 44 ARG CD C 13 44.311 0.5 . 1 . . . . 44 ARG CD . 7371 1 532 . 1 1 44 44 ARG CG C 13 27.304 0.5 . 1 . . . . 44 ARG CG . 7371 1 533 . 1 1 44 44 ARG N N 15 117.544 0.5 . 1 . . . . 44 ARG N . 7371 1 534 . 1 1 45 45 GLY H H 1 8.545 0.03 . 1 . . . . 45 GLY H . 7371 1 535 . 1 1 45 45 GLY HA2 H 1 3.793 0.03 . 2 . . . . 45 GLY HA2 . 7371 1 536 . 1 1 45 45 GLY HA3 H 1 3.567 0.03 . 2 . . . . 45 GLY HA3 . 7371 1 537 . 1 1 45 45 GLY C C 13 174.979 0.5 . 1 . . . . 45 GLY C . 7371 1 538 . 1 1 45 45 GLY CA C 13 47.545 0.5 . 1 . . . . 45 GLY CA . 7371 1 539 . 1 1 45 45 GLY N N 15 105.783 0.5 . 1 . . . . 45 GLY N . 7371 1 540 . 1 1 46 46 VAL H H 1 8.032 0.03 . 1 . . . . 46 VAL H . 7371 1 541 . 1 1 46 46 VAL HA H 1 4.538 0.03 . 1 . . . . 46 VAL HA . 7371 1 542 . 1 1 46 46 VAL HB H 1 2.190 0.03 . 1 . . . . 46 VAL HB . 7371 1 543 . 1 1 46 46 VAL HG11 H 1 0.746 0.03 . 1 . . . . 46 VAL HG1 . 7371 1 544 . 1 1 46 46 VAL HG12 H 1 0.746 0.03 . 1 . . . . 46 VAL HG1 . 7371 1 545 . 1 1 46 46 VAL HG13 H 1 0.746 0.03 . 1 . . . . 46 VAL HG1 . 7371 1 546 . 1 1 46 46 VAL HG21 H 1 0.755 0.03 . 1 . . . . 46 VAL HG2 . 7371 1 547 . 1 1 46 46 VAL HG22 H 1 0.755 0.03 . 1 . . . . 46 VAL HG2 . 7371 1 548 . 1 1 46 46 VAL HG23 H 1 0.755 0.03 . 1 . . . . 46 VAL HG2 . 7371 1 549 . 1 1 46 46 VAL C C 13 180.356 0.5 . 1 . . . . 46 VAL C . 7371 1 550 . 1 1 46 46 VAL CA C 13 64.445 0.5 . 1 . . . . 46 VAL CA . 7371 1 551 . 1 1 46 46 VAL CB C 13 32.522 0.5 . 1 . . . . 46 VAL CB . 7371 1 552 . 1 1 46 46 VAL CG1 C 13 21.438 0.5 . 1 . . . . 46 VAL CG1 . 7371 1 553 . 1 1 46 46 VAL CG2 C 13 22.480 0.5 . 1 . . . . 46 VAL CG2 . 7371 1 554 . 1 1 46 46 VAL N N 15 120.989 0.5 . 1 . . . . 46 VAL N . 7371 1 555 . 1 1 47 47 ILE H H 1 9.014 0.03 . 1 . . . . 47 ILE H . 7371 1 556 . 1 1 47 47 ILE HA H 1 3.651 0.03 . 1 . . . . 47 ILE HA . 7371 1 557 . 1 1 47 47 ILE HB H 1 1.604 0.03 . 1 . . . . 47 ILE HB . 7371 1 558 . 1 1 47 47 ILE HD11 H 1 0.590 0.03 . 1 . . . . 47 ILE HD1 . 7371 1 559 . 1 1 47 47 ILE HD12 H 1 0.590 0.03 . 1 . . . . 47 ILE HD1 . 7371 1 560 . 1 1 47 47 ILE HD13 H 1 0.590 0.03 . 1 . . . . 47 ILE HD1 . 7371 1 561 . 1 1 47 47 ILE HG12 H 1 1.207 0.03 . 2 . . . . 47 ILE HG12 . 7371 1 562 . 1 1 47 47 ILE HG13 H 1 1.217 0.03 . 2 . . . . 47 ILE HG13 . 7371 1 563 . 1 1 47 47 ILE HG21 H 1 0.377 0.03 . 1 . . . . 47 ILE HG2 . 7371 1 564 . 1 1 47 47 ILE HG22 H 1 0.377 0.03 . 1 . . . . 47 ILE HG2 . 7371 1 565 . 1 1 47 47 ILE HG23 H 1 0.377 0.03 . 1 . . . . 47 ILE HG2 . 7371 1 566 . 1 1 47 47 ILE C C 13 178.058 0.5 . 1 . . . . 47 ILE C . 7371 1 567 . 1 1 47 47 ILE CA C 13 65.257 0.5 . 1 . . . . 47 ILE CA . 7371 1 568 . 1 1 47 47 ILE CB C 13 37.135 0.5 . 1 . . . . 47 ILE CB . 7371 1 569 . 1 1 47 47 ILE CD1 C 13 13.119 0.5 . 1 . . . . 47 ILE CD1 . 7371 1 570 . 1 1 47 47 ILE CG1 C 13 28.223 0.5 . 1 . . . . 47 ILE CG1 . 7371 1 571 . 1 1 47 47 ILE CG2 C 13 16.666 0.5 . 1 . . . . 47 ILE CG2 . 7371 1 572 . 1 1 47 47 ILE N N 15 119.963 0.5 . 1 . . . . 47 ILE N . 7371 1 573 . 1 1 48 48 TYR H H 1 8.329 0.03 . 1 . . . . 48 TYR H . 7371 1 574 . 1 1 48 48 TYR HA H 1 4.658 0.03 . 1 . . . . 48 TYR HA . 7371 1 575 . 1 1 48 48 TYR HB2 H 1 3.345 0.03 . 2 . . . . 48 TYR HB2 . 7371 1 576 . 1 1 48 48 TYR HB3 H 1 2.760 0.03 . 2 . . . . 48 TYR HB3 . 7371 1 577 . 1 1 48 48 TYR HD1 H 1 7.294 0.03 . 3 . . . . 48 TYR HD1 . 7371 1 578 . 1 1 48 48 TYR HD2 H 1 7.298 0.03 . 3 . . . . 48 TYR HD2 . 7371 1 579 . 1 1 48 48 TYR HE1 H 1 6.725 0.03 . 3 . . . . 48 TYR HE1 . 7371 1 580 . 1 1 48 48 TYR HE2 H 1 6.720 0.03 . 3 . . . . 48 TYR HE2 . 7371 1 581 . 1 1 48 48 TYR C C 13 176.333 0.5 . 1 . . . . 48 TYR C . 7371 1 582 . 1 1 48 48 TYR CA C 13 58.877 0.5 . 1 . . . . 48 TYR CA . 7371 1 583 . 1 1 48 48 TYR CB C 13 36.846 0.5 . 1 . . . . 48 TYR CB . 7371 1 584 . 1 1 48 48 TYR CD1 C 13 133.186 0.5 . 3 . . . . 48 TYR CD1 . 7371 1 585 . 1 1 48 48 TYR CD2 C 13 133.271 0.5 . 3 . . . . 48 TYR CD2 . 7371 1 586 . 1 1 48 48 TYR CE1 C 13 117.357 0.5 . 3 . . . . 48 TYR CE1 . 7371 1 587 . 1 1 48 48 TYR CE2 C 13 117.384 0.5 . 3 . . . . 48 TYR CE2 . 7371 1 588 . 1 1 48 48 TYR N N 15 114.114 0.5 . 1 . . . . 48 TYR N . 7371 1 589 . 1 1 49 49 GLY H H 1 7.479 0.03 . 1 . . . . 49 GLY H . 7371 1 590 . 1 1 49 49 GLY HA2 H 1 4.062 0.03 . 2 . . . . 49 GLY HA2 . 7371 1 591 . 1 1 49 49 GLY HA3 H 1 3.861 0.03 . 2 . . . . 49 GLY HA3 . 7371 1 592 . 1 1 49 49 GLY C C 13 175.091 0.5 . 1 . . . . 49 GLY C . 7371 1 593 . 1 1 49 49 GLY CA C 13 46.713 0.5 . 1 . . . . 49 GLY CA . 7371 1 594 . 1 1 49 49 GLY N N 15 105.655 0.5 . 1 . . . . 49 GLY N . 7371 1 595 . 1 1 50 50 LEU H H 1 8.635 0.03 . 1 . . . . 50 LEU H . 7371 1 596 . 1 1 50 50 LEU HA H 1 4.059 0.03 . 1 . . . . 50 LEU HA . 7371 1 597 . 1 1 50 50 LEU HB2 H 1 1.815 0.03 . 2 . . . . 50 LEU HB2 . 7371 1 598 . 1 1 50 50 LEU HB3 H 1 1.530 0.03 . 2 . . . . 50 LEU HB3 . 7371 1 599 . 1 1 50 50 LEU HD11 H 1 0.795 0.03 . 1 . . . . 50 LEU HD1 . 7371 1 600 . 1 1 50 50 LEU HD12 H 1 0.795 0.03 . 1 . . . . 50 LEU HD1 . 7371 1 601 . 1 1 50 50 LEU HD13 H 1 0.795 0.03 . 1 . . . . 50 LEU HD1 . 7371 1 602 . 1 1 50 50 LEU HD21 H 1 0.698 0.03 . 1 . . . . 50 LEU HD2 . 7371 1 603 . 1 1 50 50 LEU HD22 H 1 0.698 0.03 . 1 . . . . 50 LEU HD2 . 7371 1 604 . 1 1 50 50 LEU HD23 H 1 0.698 0.03 . 1 . . . . 50 LEU HD2 . 7371 1 605 . 1 1 50 50 LEU HG H 1 1.550 0.03 . 1 . . . . 50 LEU HG . 7371 1 606 . 1 1 50 50 LEU C C 13 175.989 0.5 . 1 . . . . 50 LEU C . 7371 1 607 . 1 1 50 50 LEU CA C 13 57.441 0.5 . 1 . . . . 50 LEU CA . 7371 1 608 . 1 1 50 50 LEU CB C 13 43.594 0.5 . 1 . . . . 50 LEU CB . 7371 1 609 . 1 1 50 50 LEU CD1 C 13 23.736 0.5 . 1 . . . . 50 LEU CD1 . 7371 1 610 . 1 1 50 50 LEU CD2 C 13 25.944 0.5 . 1 . . . . 50 LEU CD2 . 7371 1 611 . 1 1 50 50 LEU CG C 13 26.852 0.5 . 1 . . . . 50 LEU CG . 7371 1 612 . 1 1 50 50 LEU N N 15 122.666 0.5 . 1 . . . . 50 LEU N . 7371 1 613 . 1 1 51 51 ILE H H 1 7.453 0.03 . 1 . . . . 51 ILE H . 7371 1 614 . 1 1 51 51 ILE HA H 1 4.675 0.03 . 1 . . . . 51 ILE HA . 7371 1 615 . 1 1 51 51 ILE HB H 1 1.786 0.03 . 1 . . . . 51 ILE HB . 7371 1 616 . 1 1 51 51 ILE HD11 H 1 0.906 0.03 . 1 . . . . 51 ILE HD1 . 7371 1 617 . 1 1 51 51 ILE HD12 H 1 0.906 0.03 . 1 . . . . 51 ILE HD1 . 7371 1 618 . 1 1 51 51 ILE HD13 H 1 0.906 0.03 . 1 . . . . 51 ILE HD1 . 7371 1 619 . 1 1 51 51 ILE HG12 H 1 1.403 0.03 . 2 . . . . 51 ILE HG12 . 7371 1 620 . 1 1 51 51 ILE HG13 H 1 0.748 0.03 . 2 . . . . 51 ILE HG13 . 7371 1 621 . 1 1 51 51 ILE HG21 H 1 0.802 0.03 . 1 . . . . 51 ILE HG2 . 7371 1 622 . 1 1 51 51 ILE HG22 H 1 0.802 0.03 . 1 . . . . 51 ILE HG2 . 7371 1 623 . 1 1 51 51 ILE HG23 H 1 0.802 0.03 . 1 . . . . 51 ILE HG2 . 7371 1 624 . 1 1 51 51 ILE C C 13 174.890 0.5 . 1 . . . . 51 ILE C . 7371 1 625 . 1 1 51 51 ILE CA C 13 58.285 0.5 . 1 . . . . 51 ILE CA . 7371 1 626 . 1 1 51 51 ILE CB C 13 42.388 0.5 . 1 . . . . 51 ILE CB . 7371 1 627 . 1 1 51 51 ILE CD1 C 13 13.791 0.5 . 1 . . . . 51 ILE CD1 . 7371 1 628 . 1 1 51 51 ILE CG1 C 13 26.062 0.5 . 1 . . . . 51 ILE CG1 . 7371 1 629 . 1 1 51 51 ILE CG2 C 13 17.678 0.5 . 1 . . . . 51 ILE CG2 . 7371 1 630 . 1 1 51 51 ILE N N 15 109.677 0.5 . 1 . . . . 51 ILE N . 7371 1 631 . 1 1 52 52 THR H H 1 8.618 0.03 . 1 . . . . 52 THR H . 7371 1 632 . 1 1 52 52 THR HA H 1 4.454 0.03 . 1 . . . . 52 THR HA . 7371 1 633 . 1 1 52 52 THR HB H 1 4.697 0.03 . 1 . . . . 52 THR HB . 7371 1 634 . 1 1 52 52 THR HG1 H 1 5.740 0.03 . 1 . . . . 52 THR HG1 . 7371 1 635 . 1 1 52 52 THR HG21 H 1 1.310 0.03 . 1 . . . . 52 THR HG2 . 7371 1 636 . 1 1 52 52 THR HG22 H 1 1.310 0.03 . 1 . . . . 52 THR HG2 . 7371 1 637 . 1 1 52 52 THR HG23 H 1 1.310 0.03 . 1 . . . . 52 THR HG2 . 7371 1 638 . 1 1 52 52 THR C C 13 175.494 0.5 . 1 . . . . 52 THR C . 7371 1 639 . 1 1 52 52 THR CA C 13 60.550 0.5 . 1 . . . . 52 THR CA . 7371 1 640 . 1 1 52 52 THR CB C 13 71.267 0.5 . 1 . . . . 52 THR CB . 7371 1 641 . 1 1 52 52 THR CG2 C 13 21.976 0.5 . 1 . . . . 52 THR CG2 . 7371 1 642 . 1 1 52 52 THR N N 15 112.210 0.5 . 1 . . . . 52 THR N . 7371 1 643 . 1 1 53 53 LEU H H 1 8.972 0.03 . 1 . . . . 53 LEU H . 7371 1 644 . 1 1 53 53 LEU HA H 1 3.708 0.03 . 1 . . . . 53 LEU HA . 7371 1 645 . 1 1 53 53 LEU HB2 H 1 1.657 0.03 . 2 . . . . 53 LEU HB2 . 7371 1 646 . 1 1 53 53 LEU HB3 H 1 1.226 0.03 . 2 . . . . 53 LEU HB3 . 7371 1 647 . 1 1 53 53 LEU HD11 H 1 0.092 0.03 . 1 . . . . 53 LEU HD1 . 7371 1 648 . 1 1 53 53 LEU HD12 H 1 0.092 0.03 . 1 . . . . 53 LEU HD1 . 7371 1 649 . 1 1 53 53 LEU HD13 H 1 0.092 0.03 . 1 . . . . 53 LEU HD1 . 7371 1 650 . 1 1 53 53 LEU HD21 H 1 0.690 0.03 . 1 . . . . 53 LEU HD2 . 7371 1 651 . 1 1 53 53 LEU HD22 H 1 0.690 0.03 . 1 . . . . 53 LEU HD2 . 7371 1 652 . 1 1 53 53 LEU HD23 H 1 0.690 0.03 . 1 . . . . 53 LEU HD2 . 7371 1 653 . 1 1 53 53 LEU HG H 1 1.157 0.03 . 1 . . . . 53 LEU HG . 7371 1 654 . 1 1 53 53 LEU C C 13 178.288 0.5 . 1 . . . . 53 LEU C . 7371 1 655 . 1 1 53 53 LEU CA C 13 58.007 0.5 . 1 . . . . 53 LEU CA . 7371 1 656 . 1 1 53 53 LEU CB C 13 40.785 0.5 . 1 . . . . 53 LEU CB . 7371 1 657 . 1 1 53 53 LEU CD1 C 13 22.156 0.5 . 1 . . . . 53 LEU CD1 . 7371 1 658 . 1 1 53 53 LEU CD2 C 13 25.540 0.5 . 1 . . . . 53 LEU CD2 . 7371 1 659 . 1 1 53 53 LEU CG C 13 27.076 0.5 . 1 . . . . 53 LEU CG . 7371 1 660 . 1 1 53 53 LEU N N 15 123.145 0.5 . 1 . . . . 53 LEU N . 7371 1 661 . 1 1 54 54 ALA H H 1 8.302 0.03 . 1 . . . . 54 ALA H . 7371 1 662 . 1 1 54 54 ALA HA H 1 3.860 0.03 . 1 . . . . 54 ALA HA . 7371 1 663 . 1 1 54 54 ALA HB1 H 1 1.355 0.03 . 1 . . . . 54 ALA HB . 7371 1 664 . 1 1 54 54 ALA HB2 H 1 1.355 0.03 . 1 . . . . 54 ALA HB . 7371 1 665 . 1 1 54 54 ALA HB3 H 1 1.355 0.03 . 1 . . . . 54 ALA HB . 7371 1 666 . 1 1 54 54 ALA C C 13 180.658 0.5 . 1 . . . . 54 ALA C . 7371 1 667 . 1 1 54 54 ALA CA C 13 55.568 0.5 . 1 . . . . 54 ALA CA . 7371 1 668 . 1 1 54 54 ALA CB C 13 18.062 0.5 . 1 . . . . 54 ALA CB . 7371 1 669 . 1 1 54 54 ALA N N 15 119.413 0.5 . 1 . . . . 54 ALA N . 7371 1 670 . 1 1 55 55 GLU H H 1 7.973 0.03 . 1 . . . . 55 GLU H . 7371 1 671 . 1 1 55 55 GLU HA H 1 3.970 0.03 . 1 . . . . 55 GLU HA . 7371 1 672 . 1 1 55 55 GLU HB2 H 1 2.190 0.03 . 2 . . . . 55 GLU HB2 . 7371 1 673 . 1 1 55 55 GLU HB3 H 1 1.951 0.03 . 2 . . . . 55 GLU HB3 . 7371 1 674 . 1 1 55 55 GLU HG2 H 1 2.300 0.03 . 2 . . . . 55 GLU HG2 . 7371 1 675 . 1 1 55 55 GLU HG3 H 1 2.109 0.03 . 2 . . . . 55 GLU HG3 . 7371 1 676 . 1 1 55 55 GLU C C 13 179.331 0.5 . 1 . . . . 55 GLU C . 7371 1 677 . 1 1 55 55 GLU CA C 13 59.202 0.5 . 1 . . . . 55 GLU CA . 7371 1 678 . 1 1 55 55 GLU CB C 13 29.427 0.5 . 1 . . . . 55 GLU CB . 7371 1 679 . 1 1 55 55 GLU CG C 13 36.634 0.5 . 1 . . . . 55 GLU CG . 7371 1 680 . 1 1 55 55 GLU N N 15 119.235 0.5 . 1 . . . . 55 GLU N . 7371 1 681 . 1 1 56 56 ALA H H 1 8.488 0.03 . 1 . . . . 56 ALA H . 7371 1 682 . 1 1 56 56 ALA HA H 1 3.981 0.03 . 1 . . . . 56 ALA HA . 7371 1 683 . 1 1 56 56 ALA HB1 H 1 1.284 0.03 . 1 . . . . 56 ALA HB . 7371 1 684 . 1 1 56 56 ALA HB2 H 1 1.284 0.03 . 1 . . . . 56 ALA HB . 7371 1 685 . 1 1 56 56 ALA HB3 H 1 1.284 0.03 . 1 . . . . 56 ALA HB . 7371 1 686 . 1 1 56 56 ALA C C 13 179.491 0.5 . 1 . . . . 56 ALA C . 7371 1 687 . 1 1 56 56 ALA CA C 13 55.645 0.5 . 1 . . . . 56 ALA CA . 7371 1 688 . 1 1 56 56 ALA CB C 13 17.488 0.5 . 1 . . . . 56 ALA CB . 7371 1 689 . 1 1 56 56 ALA N N 15 123.974 0.5 . 1 . . . . 56 ALA N . 7371 1 690 . 1 1 57 57 LYS H H 1 8.539 0.03 . 1 . . . . 57 LYS H . 7371 1 691 . 1 1 57 57 LYS HA H 1 3.727 0.03 . 1 . . . . 57 LYS HA . 7371 1 692 . 1 1 57 57 LYS HB2 H 1 1.812 0.03 . 2 . . . . 57 LYS HB2 . 7371 1 693 . 1 1 57 57 LYS HB3 H 1 1.700 0.03 . 2 . . . . 57 LYS HB3 . 7371 1 694 . 1 1 57 57 LYS HD2 H 1 1.465 0.03 . 2 . . . . 57 LYS HD2 . 7371 1 695 . 1 1 57 57 LYS HE2 H 1 2.672 0.03 . 2 . . . . 57 LYS HE2 . 7371 1 696 . 1 1 57 57 LYS HE3 H 1 2.659 0.03 . 2 . . . . 57 LYS HE3 . 7371 1 697 . 1 1 57 57 LYS HG2 H 1 1.423 0.03 . 2 . . . . 57 LYS HG2 . 7371 1 698 . 1 1 57 57 LYS HG3 H 1 1.050 0.03 . 2 . . . . 57 LYS HG3 . 7371 1 699 . 1 1 57 57 LYS C C 13 179.419 0.5 . 1 . . . . 57 LYS C . 7371 1 700 . 1 1 57 57 LYS CA C 13 60.875 0.5 . 1 . . . . 57 LYS CA . 7371 1 701 . 1 1 57 57 LYS CB C 13 31.990 0.5 . 1 . . . . 57 LYS CB . 7371 1 702 . 1 1 57 57 LYS CD C 13 29.440 0.5 . 1 . . . . 57 LYS CD . 7371 1 703 . 1 1 57 57 LYS CE C 13 41.231 0.5 . 1 . . . . 57 LYS CE . 7371 1 704 . 1 1 57 57 LYS CG C 13 24.966 0.5 . 1 . . . . 57 LYS CG . 7371 1 705 . 1 1 57 57 LYS N N 15 115.995 0.5 . 1 . . . . 57 LYS N . 7371 1 706 . 1 1 58 58 GLN H H 1 7.815 0.03 . 1 . . . . 58 GLN H . 7371 1 707 . 1 1 58 58 GLN HA H 1 4.027 0.03 . 1 . . . . 58 GLN HA . 7371 1 708 . 1 1 58 58 GLN HB2 H 1 2.097 0.03 . 2 . . . . 58 GLN HB2 . 7371 1 709 . 1 1 58 58 GLN HB3 H 1 2.094 0.03 . 2 . . . . 58 GLN HB3 . 7371 1 710 . 1 1 58 58 GLN HE21 H 1 7.443 0.03 . 2 . . . . 58 GLN HE21 . 7371 1 711 . 1 1 58 58 GLN HE22 H 1 6.786 0.03 . 2 . . . . 58 GLN HE22 . 7371 1 712 . 1 1 58 58 GLN HG2 H 1 2.372 0.03 . 2 . . . . 58 GLN HG2 . 7371 1 713 . 1 1 58 58 GLN HG3 H 1 2.369 0.03 . 2 . . . . 58 GLN HG3 . 7371 1 714 . 1 1 58 58 GLN C C 13 178.341 0.5 . 1 . . . . 58 GLN C . 7371 1 715 . 1 1 58 58 GLN CA C 13 58.310 0.5 . 1 . . . . 58 GLN CA . 7371 1 716 . 1 1 58 58 GLN CB C 13 28.843 0.5 . 1 . . . . 58 GLN CB . 7371 1 717 . 1 1 58 58 GLN CG C 13 33.711 0.5 . 1 . . . . 58 GLN CG . 7371 1 718 . 1 1 58 58 GLN N N 15 117.369 0.5 . 1 . . . . 58 GLN N . 7371 1 719 . 1 1 58 58 GLN NE2 N 15 111.843 0.5 . 1 . . . . 58 GLN NE2 . 7371 1 720 . 1 1 59 59 THR H H 1 8.659 0.03 . 1 . . . . 59 THR H . 7371 1 721 . 1 1 59 59 THR HA H 1 3.703 0.03 . 1 . . . . 59 THR HA . 7371 1 722 . 1 1 59 59 THR HB H 1 3.543 0.03 . 1 . . . . 59 THR HB . 7371 1 723 . 1 1 59 59 THR HG21 H 1 0.444 0.03 . 1 . . . . 59 THR HG2 . 7371 1 724 . 1 1 59 59 THR HG22 H 1 0.444 0.03 . 1 . . . . 59 THR HG2 . 7371 1 725 . 1 1 59 59 THR HG23 H 1 0.444 0.03 . 1 . . . . 59 THR HG2 . 7371 1 726 . 1 1 59 59 THR C C 13 174.921 0.5 . 1 . . . . 59 THR C . 7371 1 727 . 1 1 59 59 THR CA C 13 66.575 0.5 . 1 . . . . 59 THR CA . 7371 1 728 . 1 1 59 59 THR CB C 13 69.340 0.5 . 1 . . . . 59 THR CB . 7371 1 729 . 1 1 59 59 THR CG2 C 13 19.947 0.5 . 1 . . . . 59 THR CG2 . 7371 1 730 . 1 1 59 59 THR N N 15 116.064 0.5 . 1 . . . . 59 THR N . 7371 1 731 . 1 1 60 60 TYR H H 1 7.653 0.03 . 1 . . . . 60 TYR H . 7371 1 732 . 1 1 60 60 TYR HA H 1 5.065 0.03 . 1 . . . . 60 TYR HA . 7371 1 733 . 1 1 60 60 TYR HB2 H 1 3.664 0.03 . 2 . . . . 60 TYR HB2 . 7371 1 734 . 1 1 60 60 TYR HB3 H 1 2.769 0.03 . 2 . . . . 60 TYR HB3 . 7371 1 735 . 1 1 60 60 TYR HD1 H 1 7.565 0.03 . 3 . . . . 60 TYR HD1 . 7371 1 736 . 1 1 60 60 TYR HD2 H 1 7.553 0.03 . 3 . . . . 60 TYR HD2 . 7371 1 737 . 1 1 60 60 TYR HE1 H 1 6.746 0.03 . 3 . . . . 60 TYR HE1 . 7371 1 738 . 1 1 60 60 TYR HE2 H 1 6.757 0.03 . 3 . . . . 60 TYR HE2 . 7371 1 739 . 1 1 60 60 TYR HH H 1 9.492 0.03 . 1 . . . . 60 TYR HH . 7371 1 740 . 1 1 60 60 TYR C C 13 175.463 0.5 . 1 . . . . 60 TYR C . 7371 1 741 . 1 1 60 60 TYR CA C 13 58.144 0.5 . 1 . . . . 60 TYR CA . 7371 1 742 . 1 1 60 60 TYR CB C 13 38.726 0.5 . 1 . . . . 60 TYR CB . 7371 1 743 . 1 1 60 60 TYR CD1 C 13 133.428 0.5 . 3 . . . . 60 TYR CD1 . 7371 1 744 . 1 1 60 60 TYR CD2 C 13 133.444 0.5 . 3 . . . . 60 TYR CD2 . 7371 1 745 . 1 1 60 60 TYR CE1 C 13 117.741 0.5 . 3 . . . . 60 TYR CE1 . 7371 1 746 . 1 1 60 60 TYR CE2 C 13 117.798 0.5 . 3 . . . . 60 TYR CE2 . 7371 1 747 . 1 1 60 60 TYR N N 15 114.028 0.5 . 1 . . . . 60 TYR N . 7371 1 748 . 1 1 61 61 GLY H H 1 7.587 0.03 . 1 . . . . 61 GLY H . 7371 1 749 . 1 1 61 61 GLY HA2 H 1 3.945 0.03 . 2 . . . . 61 GLY HA2 . 7371 1 750 . 1 1 61 61 GLY HA3 H 1 3.942 0.03 . 2 . . . . 61 GLY HA3 . 7371 1 751 . 1 1 61 61 GLY C C 13 174.929 0.5 . 1 . . . . 61 GLY C . 7371 1 752 . 1 1 61 61 GLY CA C 13 47.113 0.5 . 1 . . . . 61 GLY CA . 7371 1 753 . 1 1 61 61 GLY N N 15 109.704 0.5 . 1 . . . . 61 GLY N . 7371 1 754 . 1 1 62 62 LEU H H 1 7.282 0.03 . 1 . . . . 62 LEU H . 7371 1 755 . 1 1 62 62 LEU HA H 1 4.495 0.03 . 1 . . . . 62 LEU HA . 7371 1 756 . 1 1 62 62 LEU HB2 H 1 1.239 0.03 . 2 . . . . 62 LEU HB2 . 7371 1 757 . 1 1 62 62 LEU HB3 H 1 1.074 0.03 . 2 . . . . 62 LEU HB3 . 7371 1 758 . 1 1 62 62 LEU HD11 H 1 0.126 0.03 . 1 . . . . 62 LEU HD1 . 7371 1 759 . 1 1 62 62 LEU HD12 H 1 0.126 0.03 . 1 . . . . 62 LEU HD1 . 7371 1 760 . 1 1 62 62 LEU HD13 H 1 0.126 0.03 . 1 . . . . 62 LEU HD1 . 7371 1 761 . 1 1 62 62 LEU HD21 H 1 0.130 0.03 . 1 . . . . 62 LEU HD2 . 7371 1 762 . 1 1 62 62 LEU HD22 H 1 0.130 0.03 . 1 . . . . 62 LEU HD2 . 7371 1 763 . 1 1 62 62 LEU HD23 H 1 0.130 0.03 . 1 . . . . 62 LEU HD2 . 7371 1 764 . 1 1 62 62 LEU HG H 1 1.294 0.03 . 1 . . . . 62 LEU HG . 7371 1 765 . 1 1 62 62 LEU C C 13 176.159 0.5 . 1 . . . . 62 LEU C . 7371 1 766 . 1 1 62 62 LEU CA C 13 53.380 0.5 . 1 . . . . 62 LEU CA . 7371 1 767 . 1 1 62 62 LEU CB C 13 45.146 0.5 . 1 . . . . 62 LEU CB . 7371 1 768 . 1 1 62 62 LEU CD1 C 13 25.277 0.5 . 1 . . . . 62 LEU CD1 . 7371 1 769 . 1 1 62 62 LEU CD2 C 13 22.735 0.5 . 1 . . . . 62 LEU CD2 . 7371 1 770 . 1 1 62 62 LEU CG C 13 26.411 0.5 . 1 . . . . 62 LEU CG . 7371 1 771 . 1 1 62 62 LEU N N 15 117.547 0.5 . 1 . . . . 62 LEU N . 7371 1 772 . 1 1 63 63 SER H H 1 8.129 0.03 . 1 . . . . 63 SER H . 7371 1 773 . 1 1 63 63 SER HA H 1 4.575 0.03 . 1 . . . . 63 SER HA . 7371 1 774 . 1 1 63 63 SER HB2 H 1 4.362 0.03 . 2 . . . . 63 SER HB2 . 7371 1 775 . 1 1 63 63 SER HB3 H 1 3.970 0.03 . 2 . . . . 63 SER HB3 . 7371 1 776 . 1 1 63 63 SER C C 13 174.969 0.5 . 1 . . . . 63 SER C . 7371 1 777 . 1 1 63 63 SER CA C 13 55.790 0.5 . 1 . . . . 63 SER CA . 7371 1 778 . 1 1 63 63 SER CB C 13 66.108 0.5 . 1 . . . . 63 SER CB . 7371 1 779 . 1 1 63 63 SER N N 15 116.026 0.5 . 1 . . . . 63 SER N . 7371 1 780 . 1 1 64 64 ASP H H 1 8.816 0.03 . 1 . . . . 64 ASP H . 7371 1 781 . 1 1 64 64 ASP HA H 1 4.110 0.03 . 1 . . . . 64 ASP HA . 7371 1 782 . 1 1 64 64 ASP HB2 H 1 2.521 0.03 . 2 . . . . 64 ASP HB2 . 7371 1 783 . 1 1 64 64 ASP HB3 H 1 2.496 0.03 . 2 . . . . 64 ASP HB3 . 7371 1 784 . 1 1 64 64 ASP C C 13 177.973 0.5 . 1 . . . . 64 ASP C . 7371 1 785 . 1 1 64 64 ASP CA C 13 58.415 0.5 . 1 . . . . 64 ASP CA . 7371 1 786 . 1 1 64 64 ASP CB C 13 40.377 0.5 . 1 . . . . 64 ASP CB . 7371 1 787 . 1 1 64 64 ASP N N 15 120.613 0.5 . 1 . . . . 64 ASP N . 7371 1 788 . 1 1 65 65 GLU H H 1 8.718 0.03 . 1 . . . . 65 GLU H . 7371 1 789 . 1 1 65 65 GLU HA H 1 3.934 0.03 . 1 . . . . 65 GLU HA . 7371 1 790 . 1 1 65 65 GLU HB2 H 1 2.009 0.03 . 2 . . . . 65 GLU HB2 . 7371 1 791 . 1 1 65 65 GLU HB3 H 1 1.874 0.03 . 2 . . . . 65 GLU HB3 . 7371 1 792 . 1 1 65 65 GLU HG2 H 1 2.336 0.03 . 2 . . . . 65 GLU HG2 . 7371 1 793 . 1 1 65 65 GLU HG3 H 1 2.252 0.03 . 2 . . . . 65 GLU HG3 . 7371 1 794 . 1 1 65 65 GLU C C 13 179.322 0.5 . 1 . . . . 65 GLU C . 7371 1 795 . 1 1 65 65 GLU CA C 13 59.906 0.5 . 1 . . . . 65 GLU CA . 7371 1 796 . 1 1 65 65 GLU CB C 13 29.061 0.5 . 1 . . . . 65 GLU CB . 7371 1 797 . 1 1 65 65 GLU CG C 13 36.517 0.5 . 1 . . . . 65 GLU CG . 7371 1 798 . 1 1 65 65 GLU N N 15 117.942 0.5 . 1 . . . . 65 GLU N . 7371 1 799 . 1 1 66 66 GLU H H 1 7.931 0.03 . 1 . . . . 66 GLU H . 7371 1 800 . 1 1 66 66 GLU HA H 1 3.809 0.03 . 1 . . . . 66 GLU HA . 7371 1 801 . 1 1 66 66 GLU HB2 H 1 1.911 0.03 . 2 . . . . 66 GLU HB2 . 7371 1 802 . 1 1 66 66 GLU HB3 H 1 1.450 0.03 . 2 . . . . 66 GLU HB3 . 7371 1 803 . 1 1 66 66 GLU HG2 H 1 1.917 0.03 . 2 . . . . 66 GLU HG2 . 7371 1 804 . 1 1 66 66 GLU HG3 H 1 1.845 0.03 . 2 . . . . 66 GLU HG3 . 7371 1 805 . 1 1 66 66 GLU C C 13 178.065 0.5 . 1 . . . . 66 GLU C . 7371 1 806 . 1 1 66 66 GLU CA C 13 58.902 0.5 . 1 . . . . 66 GLU CA . 7371 1 807 . 1 1 66 66 GLU CB C 13 29.653 0.5 . 1 . . . . 66 GLU CB . 7371 1 808 . 1 1 66 66 GLU CG C 13 35.368 0.5 . 1 . . . . 66 GLU CG . 7371 1 809 . 1 1 66 66 GLU N N 15 121.926 0.5 . 1 . . . . 66 GLU N . 7371 1 810 . 1 1 67 67 PHE H H 1 7.870 0.03 . 1 . . . . 67 PHE H . 7371 1 811 . 1 1 67 67 PHE HA H 1 3.024 0.03 . 1 . . . . 67 PHE HA . 7371 1 812 . 1 1 67 67 PHE HB2 H 1 2.810 0.03 . 2 . . . . 67 PHE HB2 . 7371 1 813 . 1 1 67 67 PHE HB3 H 1 2.413 0.03 . 2 . . . . 67 PHE HB3 . 7371 1 814 . 1 1 67 67 PHE HD1 H 1 6.786 0.03 . 3 . . . . 67 PHE HD1 . 7371 1 815 . 1 1 67 67 PHE HD2 H 1 6.788 0.03 . 3 . . . . 67 PHE HD2 . 7371 1 816 . 1 1 67 67 PHE HE1 H 1 6.982 0.03 . 3 . . . . 67 PHE HE1 . 7371 1 817 . 1 1 67 67 PHE HE2 H 1 6.976 0.03 . 3 . . . . 67 PHE HE2 . 7371 1 818 . 1 1 67 67 PHE HZ H 1 6.933 0.03 . 1 . . . . 67 PHE HZ . 7371 1 819 . 1 1 67 67 PHE C C 13 176.811 0.5 . 1 . . . . 67 PHE C . 7371 1 820 . 1 1 67 67 PHE CA C 13 62.192 0.5 . 1 . . . . 67 PHE CA . 7371 1 821 . 1 1 67 67 PHE CB C 13 38.422 0.5 . 1 . . . . 67 PHE CB . 7371 1 822 . 1 1 67 67 PHE CD1 C 13 131.340 0.5 . 3 . . . . 67 PHE CD1 . 7371 1 823 . 1 1 67 67 PHE CD2 C 13 131.340 0.5 . 3 . . . . 67 PHE CD2 . 7371 1 824 . 1 1 67 67 PHE CE1 C 13 131.115 0.5 . 3 . . . . 67 PHE CE1 . 7371 1 825 . 1 1 67 67 PHE CE2 C 13 131.115 0.5 . 3 . . . . 67 PHE CE2 . 7371 1 826 . 1 1 67 67 PHE CZ C 13 128.419 0.5 . 1 . . . . 67 PHE CZ . 7371 1 827 . 1 1 67 67 PHE N N 15 118.334 0.5 . 1 . . . . 67 PHE N . 7371 1 828 . 1 1 68 68 ASN H H 1 8.542 0.03 . 1 . . . . 68 ASN H . 7371 1 829 . 1 1 68 68 ASN HA H 1 4.204 0.03 . 1 . . . . 68 ASN HA . 7371 1 830 . 1 1 68 68 ASN HB2 H 1 2.828 0.03 . 2 . . . . 68 ASN HB2 . 7371 1 831 . 1 1 68 68 ASN HB3 H 1 2.717 0.03 . 2 . . . . 68 ASN HB3 . 7371 1 832 . 1 1 68 68 ASN HD21 H 1 7.521 0.03 . 2 . . . . 68 ASN HD21 . 7371 1 833 . 1 1 68 68 ASN HD22 H 1 6.826 0.03 . 2 . . . . 68 ASN HD22 . 7371 1 834 . 1 1 68 68 ASN C C 13 178.374 0.5 . 1 . . . . 68 ASN C . 7371 1 835 . 1 1 68 68 ASN CA C 13 56.244 0.5 . 1 . . . . 68 ASN CA . 7371 1 836 . 1 1 68 68 ASN CB C 13 37.722 0.5 . 1 . . . . 68 ASN CB . 7371 1 837 . 1 1 68 68 ASN N N 15 115.706 0.5 . 1 . . . . 68 ASN N . 7371 1 838 . 1 1 68 68 ASN ND2 N 15 111.501 0.5 . 1 . . . . 68 ASN ND2 . 7371 1 839 . 1 1 69 69 SER H H 1 7.898 0.03 . 1 . . . . 69 SER H . 7371 1 840 . 1 1 69 69 SER HA H 1 4.287 0.03 . 1 . . . . 69 SER HA . 7371 1 841 . 1 1 69 69 SER HB2 H 1 4.091 0.03 . 2 . . . . 69 SER HB2 . 7371 1 842 . 1 1 69 69 SER HB3 H 1 4.091 0.03 . 2 . . . . 69 SER HB3 . 7371 1 843 . 1 1 69 69 SER C C 13 177.049 0.5 . 1 . . . . 69 SER C . 7371 1 844 . 1 1 69 69 SER CA C 13 61.489 0.5 . 1 . . . . 69 SER CA . 7371 1 845 . 1 1 69 69 SER CB C 13 62.807 0.5 . 1 . . . . 69 SER CB . 7371 1 846 . 1 1 69 69 SER N N 15 117.461 0.5 . 1 . . . . 69 SER N . 7371 1 847 . 1 1 70 70 TRP H H 1 8.047 0.03 . 1 . . . . 70 TRP H . 7371 1 848 . 1 1 70 70 TRP HA H 1 4.484 0.03 . 1 . . . . 70 TRP HA . 7371 1 849 . 1 1 70 70 TRP HB2 H 1 3.107 0.03 . 2 . . . . 70 TRP HB2 . 7371 1 850 . 1 1 70 70 TRP HB3 H 1 2.684 0.03 . 2 . . . . 70 TRP HB3 . 7371 1 851 . 1 1 70 70 TRP HD1 H 1 6.868 0.03 . 1 . . . . 70 TRP HD1 . 7371 1 852 . 1 1 70 70 TRP HE1 H 1 10.138 0.03 . 1 . . . . 70 TRP HE1 . 7371 1 853 . 1 1 70 70 TRP HE3 H 1 6.983 0.03 . 1 . . . . 70 TRP HE3 . 7371 1 854 . 1 1 70 70 TRP HZ2 H 1 6.342 0.03 . 1 . . . . 70 TRP HZ2 . 7371 1 855 . 1 1 70 70 TRP HZ3 H 1 6.117 0.03 . 1 . . . . 70 TRP HZ3 . 7371 1 856 . 1 1 70 70 TRP C C 13 178.784 0.5 . 1 . . . . 70 TRP C . 7371 1 857 . 1 1 70 70 TRP CA C 13 58.315 0.5 . 1 . . . . 70 TRP CA . 7371 1 858 . 1 1 70 70 TRP CB C 13 28.401 0.5 . 1 . . . . 70 TRP CB . 7371 1 859 . 1 1 70 70 TRP CD1 C 13 124.277 0.5 . 1 . . . . 70 TRP CD1 . 7371 1 860 . 1 1 70 70 TRP CE3 C 13 118.736 0.5 . 1 . . . . 70 TRP CE3 . 7371 1 861 . 1 1 70 70 TRP CZ2 C 13 113.216 0.5 . 1 . . . . 70 TRP CZ2 . 7371 1 862 . 1 1 70 70 TRP CZ3 C 13 120.249 0.5 . 1 . . . . 70 TRP CZ3 . 7371 1 863 . 1 1 70 70 TRP N N 15 125.771 0.5 . 1 . . . . 70 TRP N . 7371 1 864 . 1 1 70 70 TRP NE1 N 15 126.879 0.5 . 1 . . . . 70 TRP NE1 . 7371 1 865 . 1 1 71 71 VAL H H 1 7.748 0.03 . 1 . . . . 71 VAL H . 7371 1 866 . 1 1 71 71 VAL HA H 1 3.276 0.03 . 1 . . . . 71 VAL HA . 7371 1 867 . 1 1 71 71 VAL HB H 1 1.960 0.03 . 1 . . . . 71 VAL HB . 7371 1 868 . 1 1 71 71 VAL HG11 H 1 0.727 0.03 . 1 . . . . 71 VAL HG1 . 7371 1 869 . 1 1 71 71 VAL HG12 H 1 0.727 0.03 . 1 . . . . 71 VAL HG1 . 7371 1 870 . 1 1 71 71 VAL HG13 H 1 0.727 0.03 . 1 . . . . 71 VAL HG1 . 7371 1 871 . 1 1 71 71 VAL HG21 H 1 0.473 0.03 . 1 . . . . 71 VAL HG2 . 7371 1 872 . 1 1 71 71 VAL HG22 H 1 0.473 0.03 . 1 . . . . 71 VAL HG2 . 7371 1 873 . 1 1 71 71 VAL HG23 H 1 0.473 0.03 . 1 . . . . 71 VAL HG2 . 7371 1 874 . 1 1 71 71 VAL C C 13 178.294 0.5 . 1 . . . . 71 VAL C . 7371 1 875 . 1 1 71 71 VAL CA C 13 66.667 0.5 . 1 . . . . 71 VAL CA . 7371 1 876 . 1 1 71 71 VAL CB C 13 31.526 0.5 . 1 . . . . 71 VAL CB . 7371 1 877 . 1 1 71 71 VAL CG1 C 13 21.723 0.5 . 1 . . . . 71 VAL CG1 . 7371 1 878 . 1 1 71 71 VAL CG2 C 13 23.627 0.5 . 1 . . . . 71 VAL CG2 . 7371 1 879 . 1 1 71 71 VAL N N 15 118.877 0.5 . 1 . . . . 71 VAL N . 7371 1 880 . 1 1 72 72 SER H H 1 8.033 0.03 . 1 . . . . 72 SER H . 7371 1 881 . 1 1 72 72 SER HA H 1 4.080 0.03 . 1 . . . . 72 SER HA . 7371 1 882 . 1 1 72 72 SER HB2 H 1 3.919 0.03 . 2 . . . . 72 SER HB2 . 7371 1 883 . 1 1 72 72 SER HB3 H 1 3.917 0.03 . 2 . . . . 72 SER HB3 . 7371 1 884 . 1 1 72 72 SER C C 13 176.075 0.5 . 1 . . . . 72 SER C . 7371 1 885 . 1 1 72 72 SER CA C 13 61.464 0.5 . 1 . . . . 72 SER CA . 7371 1 886 . 1 1 72 72 SER CB C 13 63.051 0.5 . 1 . . . . 72 SER CB . 7371 1 887 . 1 1 72 72 SER N N 15 113.701 0.5 . 1 . . . . 72 SER N . 7371 1 888 . 1 1 73 73 ALA H H 1 7.683 0.03 . 1 . . . . 73 ALA H . 7371 1 889 . 1 1 73 73 ALA HA H 1 4.240 0.03 . 1 . . . . 73 ALA HA . 7371 1 890 . 1 1 73 73 ALA HB1 H 1 1.473 0.03 . 1 . . . . 73 ALA HB . 7371 1 891 . 1 1 73 73 ALA HB2 H 1 1.473 0.03 . 1 . . . . 73 ALA HB . 7371 1 892 . 1 1 73 73 ALA HB3 H 1 1.473 0.03 . 1 . . . . 73 ALA HB . 7371 1 893 . 1 1 73 73 ALA C C 13 179.661 0.5 . 1 . . . . 73 ALA C . 7371 1 894 . 1 1 73 73 ALA CA C 13 54.271 0.5 . 1 . . . . 73 ALA CA . 7371 1 895 . 1 1 73 73 ALA CB C 13 18.754 0.5 . 1 . . . . 73 ALA CB . 7371 1 896 . 1 1 73 73 ALA N N 15 122.024 0.5 . 1 . . . . 73 ALA N . 7371 1 897 . 1 1 74 74 LEU H H 1 7.720 0.03 . 1 . . . . 74 LEU H . 7371 1 898 . 1 1 74 74 LEU HA H 1 4.210 0.03 . 1 . . . . 74 LEU HA . 7371 1 899 . 1 1 74 74 LEU HB2 H 1 1.683 0.03 . 2 . . . . 74 LEU HB2 . 7371 1 900 . 1 1 74 74 LEU HB3 H 1 1.580 0.03 . 2 . . . . 74 LEU HB3 . 7371 1 901 . 1 1 74 74 LEU HD11 H 1 0.792 0.03 . 1 . . . . 74 LEU HD1 . 7371 1 902 . 1 1 74 74 LEU HD12 H 1 0.792 0.03 . 1 . . . . 74 LEU HD1 . 7371 1 903 . 1 1 74 74 LEU HD13 H 1 0.792 0.03 . 1 . . . . 74 LEU HD1 . 7371 1 904 . 1 1 74 74 LEU HD21 H 1 0.801 0.03 . 1 . . . . 74 LEU HD2 . 7371 1 905 . 1 1 74 74 LEU HD22 H 1 0.801 0.03 . 1 . . . . 74 LEU HD2 . 7371 1 906 . 1 1 74 74 LEU HD23 H 1 0.801 0.03 . 1 . . . . 74 LEU HD2 . 7371 1 907 . 1 1 74 74 LEU HG H 1 1.768 0.03 . 1 . . . . 74 LEU HG . 7371 1 908 . 1 1 74 74 LEU C C 13 177.869 0.5 . 1 . . . . 74 LEU C . 7371 1 909 . 1 1 74 74 LEU CA C 13 56.227 0.5 . 1 . . . . 74 LEU CA . 7371 1 910 . 1 1 74 74 LEU CB C 13 42.385 0.5 . 1 . . . . 74 LEU CB . 7371 1 911 . 1 1 74 74 LEU CD1 C 13 25.722 0.5 . 1 . . . . 74 LEU CD1 . 7371 1 912 . 1 1 74 74 LEU CD2 C 13 23.506 0.5 . 1 . . . . 74 LEU CD2 . 7371 1 913 . 1 1 74 74 LEU CG C 13 26.997 0.5 . 1 . . . . 74 LEU CG . 7371 1 914 . 1 1 74 74 LEU N N 15 117.833 0.5 . 1 . . . . 74 LEU N . 7371 1 915 . 1 1 75 75 ALA H H 1 8.008 0.03 . 1 . . . . 75 ALA H . 7371 1 916 . 1 1 75 75 ALA HA H 1 4.207 0.03 . 1 . . . . 75 ALA HA . 7371 1 917 . 1 1 75 75 ALA HB1 H 1 1.403 0.03 . 1 . . . . 75 ALA HB . 7371 1 918 . 1 1 75 75 ALA HB2 H 1 1.403 0.03 . 1 . . . . 75 ALA HB . 7371 1 919 . 1 1 75 75 ALA HB3 H 1 1.403 0.03 . 1 . . . . 75 ALA HB . 7371 1 920 . 1 1 75 75 ALA C C 13 178.159 0.5 . 1 . . . . 75 ALA C . 7371 1 921 . 1 1 75 75 ALA CA C 13 53.426 0.5 . 1 . . . . 75 ALA CA . 7371 1 922 . 1 1 75 75 ALA CB C 13 19.020 0.5 . 1 . . . . 75 ALA CB . 7371 1 923 . 1 1 75 75 ALA N N 15 121.915 0.5 . 1 . . . . 75 ALA N . 7371 1 924 . 1 1 76 76 GLU H H 1 8.000 0.03 . 1 . . . . 76 GLU H . 7371 1 925 . 1 1 76 76 GLU HA H 1 4.135 0.03 . 1 . . . . 76 GLU HA . 7371 1 926 . 1 1 76 76 GLU HB2 H 1 1.912 0.03 . 2 . . . . 76 GLU HB2 . 7371 1 927 . 1 1 76 76 GLU HB3 H 1 1.907 0.03 . 2 . . . . 76 GLU HB3 . 7371 1 928 . 1 1 76 76 GLU HG2 H 1 2.224 0.03 . 2 . . . . 76 GLU HG2 . 7371 1 929 . 1 1 76 76 GLU HG3 H 1 2.116 0.03 . 2 . . . . 76 GLU HG3 . 7371 1 930 . 1 1 76 76 GLU C C 13 176.748 0.5 . 1 . . . . 76 GLU C . 7371 1 931 . 1 1 76 76 GLU CA C 13 57.252 0.5 . 1 . . . . 76 GLU CA . 7371 1 932 . 1 1 76 76 GLU CB C 13 30.086 0.5 . 1 . . . . 76 GLU CB . 7371 1 933 . 1 1 76 76 GLU CG C 13 36.113 0.5 . 1 . . . . 76 GLU CG . 7371 1 934 . 1 1 76 76 GLU N N 15 117.872 0.5 . 1 . . . . 76 GLU N . 7371 1 935 . 1 1 77 77 HIS H H 1 8.069 0.03 . 1 . . . . 77 HIS H . 7371 1 936 . 1 1 77 77 HIS HA H 1 4.649 0.03 . 1 . . . . 77 HIS HA . 7371 1 937 . 1 1 77 77 HIS HB2 H 1 3.246 0.03 . 2 . . . . 77 HIS HB2 . 7371 1 938 . 1 1 77 77 HIS HB3 H 1 3.100 0.03 . 2 . . . . 77 HIS HB3 . 7371 1 939 . 1 1 77 77 HIS HD2 H 1 7.110 0.03 . 1 . . . . 77 HIS HD2 . 7371 1 940 . 1 1 77 77 HIS C C 13 175.720 0.5 . 1 . . . . 77 HIS C . 7371 1 941 . 1 1 77 77 HIS CA C 13 56.383 0.5 . 1 . . . . 77 HIS CA . 7371 1 942 . 1 1 77 77 HIS CB C 13 30.033 0.5 . 1 . . . . 77 HIS CB . 7371 1 943 . 1 1 77 77 HIS CD2 C 13 120.20 0.5 . 1 . . . . 77 HIS CD2 . 7371 1 944 . 1 1 77 77 HIS N N 15 117.626 0.5 . 1 . . . . 77 HIS N . 7371 1 945 . 1 1 78 78 GLY H H 1 8.192 0.03 . 1 . . . . 78 GLY H . 7371 1 946 . 1 1 78 78 GLY HA2 H 1 3.965 0.03 . 2 . . . . 78 GLY HA2 . 7371 1 947 . 1 1 78 78 GLY HA3 H 1 3.967 0.03 . 2 . . . . 78 GLY HA3 . 7371 1 948 . 1 1 78 78 GLY C C 13 174.534 0.5 . 1 . . . . 78 GLY C . 7371 1 949 . 1 1 78 78 GLY CA C 13 45.614 0.5 . 1 . . . . 78 GLY CA . 7371 1 950 . 1 1 78 78 GLY N N 15 109.381 0.5 . 1 . . . . 78 GLY N . 7371 1 951 . 1 1 79 79 LYS H H 1 8.339 0.03 . 1 . . . . 79 LYS H . 7371 1 952 . 1 1 79 79 LYS HA H 1 4.214 0.03 . 1 . . . . 79 LYS HA . 7371 1 953 . 1 1 79 79 LYS HB2 H 1 1.837 0.03 . 2 . . . . 79 LYS HB2 . 7371 1 954 . 1 1 79 79 LYS HB3 H 1 1.818 0.03 . 2 . . . . 79 LYS HB3 . 7371 1 955 . 1 1 79 79 LYS HD2 H 1 1.663 0.03 . 2 . . . . 79 LYS HD2 . 7371 1 956 . 1 1 79 79 LYS HD3 H 1 1.655 0.03 . 2 . . . . 79 LYS HD3 . 7371 1 957 . 1 1 79 79 LYS HE2 H 1 2.980 0.03 . 2 . . . . 79 LYS HE2 . 7371 1 958 . 1 1 79 79 LYS HE3 H 1 2.981 0.03 . 2 . . . . 79 LYS HE3 . 7371 1 959 . 1 1 79 79 LYS HG2 H 1 1.521 0.03 . 2 . . . . 79 LYS HG2 . 7371 1 960 . 1 1 79 79 LYS HG3 H 1 1.525 0.03 . 2 . . . . 79 LYS HG3 . 7371 1 961 . 1 1 79 79 LYS C C 13 177.021 0.5 . 1 . . . . 79 LYS C . 7371 1 962 . 1 1 79 79 LYS CA C 13 57.305 0.5 . 1 . . . . 79 LYS CA . 7371 1 963 . 1 1 79 79 LYS CB C 13 32.511 0.5 . 1 . . . . 79 LYS CB . 7371 1 964 . 1 1 79 79 LYS CD C 13 28.996 0.5 . 1 . . . . 79 LYS CD . 7371 1 965 . 1 1 79 79 LYS CE C 13 42.135 0.5 . 1 . . . . 79 LYS CE . 7371 1 966 . 1 1 79 79 LYS CG C 13 24.647 0.5 . 1 . . . . 79 LYS CG . 7371 1 967 . 1 1 79 79 LYS N N 15 120.611 0.5 . 1 . . . . 79 LYS N . 7371 1 968 . 1 1 80 80 ASP H H 1 8.353 0.03 . 1 . . . . 80 ASP H . 7371 1 969 . 1 1 80 80 ASP HA H 1 4.560 0.03 . 1 . . . . 80 ASP HA . 7371 1 970 . 1 1 80 80 ASP HB2 H 1 2.727 0.03 . 2 . . . . 80 ASP HB2 . 7371 1 971 . 1 1 80 80 ASP HB3 H 1 2.598 0.03 . 2 . . . . 80 ASP HB3 . 7371 1 972 . 1 1 80 80 ASP C C 13 176.242 0.5 . 1 . . . . 80 ASP C . 7371 1 973 . 1 1 80 80 ASP CA C 13 54.921 0.5 . 1 . . . . 80 ASP CA . 7371 1 974 . 1 1 80 80 ASP CB C 13 40.998 0.5 . 1 . . . . 80 ASP CB . 7371 1 975 . 1 1 80 80 ASP N N 15 119.870 0.5 . 1 . . . . 80 ASP N . 7371 1 976 . 1 1 81 81 ALA H H 1 7.993 0.03 . 1 . . . . 81 ALA H . 7371 1 977 . 1 1 81 81 ALA HA H 1 4.149 0.03 . 1 . . . . 81 ALA HA . 7371 1 978 . 1 1 81 81 ALA HB1 H 1 1.364 0.03 . 1 . . . . 81 ALA HB . 7371 1 979 . 1 1 81 81 ALA HB2 H 1 1.364 0.03 . 1 . . . . 81 ALA HB . 7371 1 980 . 1 1 81 81 ALA HB3 H 1 1.364 0.03 . 1 . . . . 81 ALA HB . 7371 1 981 . 1 1 81 81 ALA C C 13 178.524 0.5 . 1 . . . . 81 ALA C . 7371 1 982 . 1 1 81 81 ALA CA C 13 53.844 0.5 . 1 . . . . 81 ALA CA . 7371 1 983 . 1 1 81 81 ALA CB C 13 19.080 0.5 . 1 . . . . 81 ALA CB . 7371 1 984 . 1 1 81 81 ALA N N 15 122.913 0.5 . 1 . . . . 81 ALA N . 7371 1 985 . 1 1 82 82 LEU H H 1 8.024 0.03 . 1 . . . . 82 LEU H . 7371 1 986 . 1 1 82 82 LEU HA H 1 4.287 0.03 . 1 . . . . 82 LEU HA . 7371 1 987 . 1 1 82 82 LEU HB2 H 1 1.673 0.03 . 2 . . . . 82 LEU HB2 . 7371 1 988 . 1 1 82 82 LEU HB3 H 1 1.544 0.03 . 2 . . . . 82 LEU HB3 . 7371 1 989 . 1 1 82 82 LEU HD11 H 1 0.882 0.03 . 1 . . . . 82 LEU HD1 . 7371 1 990 . 1 1 82 82 LEU HD12 H 1 0.882 0.03 . 1 . . . . 82 LEU HD1 . 7371 1 991 . 1 1 82 82 LEU HD13 H 1 0.882 0.03 . 1 . . . . 82 LEU HD1 . 7371 1 992 . 1 1 82 82 LEU HD21 H 1 0.836 0.03 . 1 . . . . 82 LEU HD2 . 7371 1 993 . 1 1 82 82 LEU HD22 H 1 0.836 0.03 . 1 . . . . 82 LEU HD2 . 7371 1 994 . 1 1 82 82 LEU HD23 H 1 0.836 0.03 . 1 . . . . 82 LEU HD2 . 7371 1 995 . 1 1 82 82 LEU HG H 1 1.506 0.03 . 1 . . . . 82 LEU HG . 7371 1 996 . 1 1 82 82 LEU C C 13 177.663 0.5 . 1 . . . . 82 LEU C . 7371 1 997 . 1 1 82 82 LEU CA C 13 55.767 0.5 . 1 . . . . 82 LEU CA . 7371 1 998 . 1 1 82 82 LEU CB C 13 42.226 0.5 . 1 . . . . 82 LEU CB . 7371 1 999 . 1 1 82 82 LEU CD1 C 13 25.291 0.5 . 1 . . . . 82 LEU CD1 . 7371 1 1000 . 1 1 82 82 LEU CD2 C 13 23.658 0.5 . 1 . . . . 82 LEU CD2 . 7371 1 1001 . 1 1 82 82 LEU CG C 13 27.019 0.5 . 1 . . . . 82 LEU CG . 7371 1 1002 . 1 1 82 82 LEU N N 15 118.700 0.5 . 1 . . . . 82 LEU N . 7371 1 1003 . 1 1 83 83 LYS H H 1 7.979 0.03 . 1 . . . . 83 LYS H . 7371 1 1004 . 1 1 83 83 LYS HA H 1 4.233 0.03 . 1 . . . . 83 LYS HA . 7371 1 1005 . 1 1 83 83 LYS HB2 H 1 1.854 0.03 . 2 . . . . 83 LYS HB2 . 7371 1 1006 . 1 1 83 83 LYS HB3 H 1 1.863 0.03 . 2 . . . . 83 LYS HB3 . 7371 1 1007 . 1 1 83 83 LYS HD2 H 1 1.665 0.03 . 2 . . . . 83 LYS HD2 . 7371 1 1008 . 1 1 83 83 LYS HD3 H 1 1.670 0.03 . 2 . . . . 83 LYS HD3 . 7371 1 1009 . 1 1 83 83 LYS HE2 H 1 2.970 0.03 . 2 . . . . 83 LYS HE2 . 7371 1 1010 . 1 1 83 83 LYS HE3 H 1 2.977 0.03 . 2 . . . . 83 LYS HE3 . 7371 1 1011 . 1 1 83 83 LYS HG2 H 1 1.419 0.03 . 2 . . . . 83 LYS HG2 . 7371 1 1012 . 1 1 83 83 LYS HG3 H 1 1.394 0.03 . 2 . . . . 83 LYS HG3 . 7371 1 1013 . 1 1 83 83 LYS C C 13 177.566 0.5 . 1 . . . . 83 LYS C . 7371 1 1014 . 1 1 83 83 LYS CA C 13 57.122 0.5 . 1 . . . . 83 LYS CA . 7371 1 1015 . 1 1 83 83 LYS CB C 13 32.690 0.5 . 1 . . . . 83 LYS CB . 7371 1 1016 . 1 1 83 83 LYS CD C 13 29.057 0.5 . 1 . . . . 83 LYS CD . 7371 1 1017 . 1 1 83 83 LYS CE C 13 42.186 0.5 . 1 . . . . 83 LYS CE . 7371 1 1018 . 1 1 83 83 LYS CG C 13 24.728 0.5 . 1 . . . . 83 LYS CG . 7371 1 1019 . 1 1 83 83 LYS N N 15 120.653 0.5 . 1 . . . . 83 LYS N . 7371 1 1020 . 1 1 84 84 VAL H H 1 8.143 0.03 . 1 . . . . 84 VAL H . 7371 1 1021 . 1 1 84 84 VAL HA H 1 3.921 0.03 . 1 . . . . 84 VAL HA . 7371 1 1022 . 1 1 84 84 VAL HB H 1 2.150 0.03 . 1 . . . . 84 VAL HB . 7371 1 1023 . 1 1 84 84 VAL HG11 H 1 0.947 0.03 . 1 . . . . 84 VAL HG1 . 7371 1 1024 . 1 1 84 84 VAL HG12 H 1 0.947 0.03 . 1 . . . . 84 VAL HG1 . 7371 1 1025 . 1 1 84 84 VAL HG13 H 1 0.947 0.03 . 1 . . . . 84 VAL HG1 . 7371 1 1026 . 1 1 84 84 VAL HG21 H 1 0.973 0.03 . 1 . . . . 84 VAL HG2 . 7371 1 1027 . 1 1 84 84 VAL HG22 H 1 0.973 0.03 . 1 . . . . 84 VAL HG2 . 7371 1 1028 . 1 1 84 84 VAL HG23 H 1 0.973 0.03 . 1 . . . . 84 VAL HG2 . 7371 1 1029 . 1 1 84 84 VAL C C 13 177.430 0.5 . 1 . . . . 84 VAL C . 7371 1 1030 . 1 1 84 84 VAL CA C 13 64.608 0.5 . 1 . . . . 84 VAL CA . 7371 1 1031 . 1 1 84 84 VAL CB C 13 32.126 0.5 . 1 . . . . 84 VAL CB . 7371 1 1032 . 1 1 84 84 VAL CG1 C 13 21.329 0.5 . 1 . . . . 84 VAL CG1 . 7371 1 1033 . 1 1 84 84 VAL CG2 C 13 21.567 0.5 . 1 . . . . 84 VAL CG2 . 7371 1 1034 . 1 1 84 84 VAL N N 15 120.213 0.5 . 1 . . . . 84 VAL N . 7371 1 1035 . 1 1 85 85 THR H H 1 8.008 0.03 . 1 . . . . 85 THR H . 7371 1 1036 . 1 1 85 85 THR HA H 1 4.069 0.03 . 1 . . . . 85 THR HA . 7371 1 1037 . 1 1 85 85 THR HB H 1 4.244 0.03 . 1 . . . . 85 THR HB . 7371 1 1038 . 1 1 85 85 THR HG21 H 1 1.250 0.03 . 1 . . . . 85 THR HG2 . 7371 1 1039 . 1 1 85 85 THR HG22 H 1 1.250 0.03 . 1 . . . . 85 THR HG2 . 7371 1 1040 . 1 1 85 85 THR HG23 H 1 1.250 0.03 . 1 . . . . 85 THR HG2 . 7371 1 1041 . 1 1 85 85 THR C C 13 175.536 0.5 . 1 . . . . 85 THR C . 7371 1 1042 . 1 1 85 85 THR CA C 13 64.223 0.5 . 1 . . . . 85 THR CA . 7371 1 1043 . 1 1 85 85 THR CB C 13 69.120 0.5 . 1 . . . . 85 THR CB . 7371 1 1044 . 1 1 85 85 THR CG2 C 13 22.057 0.5 . 1 . . . . 85 THR CG2 . 7371 1 1045 . 1 1 85 85 THR N N 15 115.527 0.5 . 1 . . . . 85 THR N . 7371 1 1046 . 1 1 86 86 ALA H H 1 7.965 0.03 . 1 . . . . 86 ALA H . 7371 1 1047 . 1 1 86 86 ALA HA H 1 4.178 0.03 . 1 . . . . 86 ALA HA . 7371 1 1048 . 1 1 86 86 ALA HB1 H 1 1.420 0.03 . 1 . . . . 86 ALA HB . 7371 1 1049 . 1 1 86 86 ALA HB2 H 1 1.420 0.03 . 1 . . . . 86 ALA HB . 7371 1 1050 . 1 1 86 86 ALA HB3 H 1 1.420 0.03 . 1 . . . . 86 ALA HB . 7371 1 1051 . 1 1 86 86 ALA C C 13 178.853 0.5 . 1 . . . . 86 ALA C . 7371 1 1052 . 1 1 86 86 ALA CA C 13 54.168 0.5 . 1 . . . . 86 ALA CA . 7371 1 1053 . 1 1 86 86 ALA CB C 13 18.85 0.5 . 1 . . . . 86 ALA CB . 7371 1 1054 . 1 1 86 86 ALA N N 15 124.689 0.5 . 1 . . . . 86 ALA N . 7371 1 1055 . 1 1 87 87 LEU H H 1 7.954 0.03 . 1 . . . . 87 LEU H . 7371 1 1056 . 1 1 87 87 LEU HA H 1 4.174 0.03 . 1 . . . . 87 LEU HA . 7371 1 1057 . 1 1 87 87 LEU HB2 H 1 1.690 0.03 . 2 . . . . 87 LEU HB2 . 7371 1 1058 . 1 1 87 87 LEU HB3 H 1 1.684 0.03 . 2 . . . . 87 LEU HB3 . 7371 1 1059 . 1 1 87 87 LEU HD11 H 1 0.913 0.03 . 1 . . . . 87 LEU HD1 . 7371 1 1060 . 1 1 87 87 LEU HD12 H 1 0.913 0.03 . 1 . . . . 87 LEU HD1 . 7371 1 1061 . 1 1 87 87 LEU HD13 H 1 0.913 0.03 . 1 . . . . 87 LEU HD1 . 7371 1 1062 . 1 1 87 87 LEU HD21 H 1 0.853 0.03 . 1 . . . . 87 LEU HD2 . 7371 1 1063 . 1 1 87 87 LEU HD22 H 1 0.853 0.03 . 1 . . . . 87 LEU HD2 . 7371 1 1064 . 1 1 87 87 LEU HD23 H 1 0.853 0.03 . 1 . . . . 87 LEU HD2 . 7371 1 1065 . 1 1 87 87 LEU HG H 1 1.667 0.03 . 1 . . . . 87 LEU HG . 7371 1 1066 . 1 1 87 87 LEU C C 13 178.366 0.5 . 1 . . . . 87 LEU C . 7371 1 1067 . 1 1 87 87 LEU CA C 13 56.844 0.5 . 1 . . . . 87 LEU CA . 7371 1 1068 . 1 1 87 87 LEU CB C 13 41.908 0.5 . 1 . . . . 87 LEU CB . 7371 1 1069 . 1 1 87 87 LEU CD1 C 13 24.872 0.5 . 1 . . . . 87 LEU CD1 . 7371 1 1070 . 1 1 87 87 LEU CD2 C 13 24.021 0.5 . 1 . . . . 87 LEU CD2 . 7371 1 1071 . 1 1 87 87 LEU CG C 13 27.194 0.5 . 1 . . . . 87 LEU CG . 7371 1 1072 . 1 1 87 87 LEU N N 15 119.457 0.5 . 1 . . . . 87 LEU N . 7371 1 1073 . 1 1 88 88 LYS H H 1 8.105 0.03 . 1 . . . . 88 LYS H . 7371 1 1074 . 1 1 88 88 LYS HA H 1 4.031 0.03 . 1 . . . . 88 LYS HA . 7371 1 1075 . 1 1 88 88 LYS HB2 H 1 1.846 0.03 . 2 . . . . 88 LYS HB2 . 7371 1 1076 . 1 1 88 88 LYS HB3 H 1 1.847 0.03 . 2 . . . . 88 LYS HB3 . 7371 1 1077 . 1 1 88 88 LYS HD2 H 1 1.667 0.03 . 2 . . . . 88 LYS HD2 . 7371 1 1078 . 1 1 88 88 LYS HD3 H 1 1.663 0.03 . 2 . . . . 88 LYS HD3 . 7371 1 1079 . 1 1 88 88 LYS HE2 H 1 2.957 0.03 . 2 . . . . 88 LYS HE2 . 7371 1 1080 . 1 1 88 88 LYS HE3 H 1 2.954 0.03 . 2 . . . . 88 LYS HE3 . 7371 1 1081 . 1 1 88 88 LYS HG2 H 1 1.521 0.03 . 2 . . . . 88 LYS HG2 . 7371 1 1082 . 1 1 88 88 LYS HG3 H 1 1.374 0.03 . 2 . . . . 88 LYS HG3 . 7371 1 1083 . 1 1 88 88 LYS C C 13 178.341 0.5 . 1 . . . . 88 LYS C . 7371 1 1084 . 1 1 88 88 LYS CA C 13 58.825 0.5 . 1 . . . . 88 LYS CA . 7371 1 1085 . 1 1 88 88 LYS CB C 13 32.409 0.5 . 1 . . . . 88 LYS CB . 7371 1 1086 . 1 1 88 88 LYS CD C 13 29.518 0.5 . 1 . . . . 88 LYS CD . 7371 1 1087 . 1 1 88 88 LYS CE C 13 42.104 0.5 . 1 . . . . 88 LYS CE . 7371 1 1088 . 1 1 88 88 LYS CG C 13 25.461 0.5 . 1 . . . . 88 LYS CG . 7371 1 1089 . 1 1 88 88 LYS N N 15 120.274 0.5 . 1 . . . . 88 LYS N . 7371 1 1090 . 1 1 89 89 LYS H H 1 7.967 0.03 . 1 . . . . 89 LYS H . 7371 1 1091 . 1 1 89 89 LYS HA H 1 4.123 0.03 . 1 . . . . 89 LYS HA . 7371 1 1092 . 1 1 89 89 LYS HB2 H 1 1.770 0.03 . 2 . . . . 89 LYS HB2 . 7371 1 1093 . 1 1 89 89 LYS HB3 H 1 1.760 0.03 . 2 . . . . 89 LYS HB3 . 7371 1 1094 . 1 1 89 89 LYS HD2 H 1 1.645 0.03 . 2 . . . . 89 LYS HD2 . 7371 1 1095 . 1 1 89 89 LYS HD3 H 1 1.630 0.03 . 2 . . . . 89 LYS HD3 . 7371 1 1096 . 1 1 89 89 LYS HE2 H 1 2.954 0.03 . 2 . . . . 89 LYS HE2 . 7371 1 1097 . 1 1 89 89 LYS HE3 H 1 2.947 0.03 . 2 . . . . 89 LYS HE3 . 7371 1 1098 . 1 1 89 89 LYS HG2 H 1 1.352 0.03 . 2 . . . . 89 LYS HG2 . 7371 1 1099 . 1 1 89 89 LYS HG3 H 1 1.303 0.03 . 2 . . . . 89 LYS HG3 . 7371 1 1100 . 1 1 89 89 LYS C C 13 177.847 0.5 . 1 . . . . 89 LYS C . 7371 1 1101 . 1 1 89 89 LYS CA C 13 58.270 0.5 . 1 . . . . 89 LYS CA . 7371 1 1102 . 1 1 89 89 LYS CB C 13 32.374 0.5 . 1 . . . . 89 LYS CB . 7371 1 1103 . 1 1 89 89 LYS CD C 13 28.870 0.5 . 1 . . . . 89 LYS CD . 7371 1 1104 . 1 1 89 89 LYS CE C 13 42.050 0.5 . 1 . . . . 89 LYS CE . 7371 1 1105 . 1 1 89 89 LYS CG C 13 24.759 0.5 . 1 . . . . 89 LYS CG . 7371 1 1106 . 1 1 89 89 LYS N N 15 119.545 0.5 . 1 . . . . 89 LYS N . 7371 1 1107 . 1 1 90 90 TYR H H 1 8.020 0.03 . 1 . . . . 90 TYR H . 7371 1 1108 . 1 1 90 90 TYR HA H 1 4.377 0.03 . 1 . . . . 90 TYR HA . 7371 1 1109 . 1 1 90 90 TYR HB2 H 1 3.098 0.03 . 2 . . . . 90 TYR HB2 . 7371 1 1110 . 1 1 90 90 TYR HB3 H 1 3.033 0.03 . 2 . . . . 90 TYR HB3 . 7371 1 1111 . 1 1 90 90 TYR HD1 H 1 7.037 0.03 . 3 . . . . 90 TYR HD1 . 7371 1 1112 . 1 1 90 90 TYR HD2 H 1 7.046 0.03 . 3 . . . . 90 TYR HD2 . 7371 1 1113 . 1 1 90 90 TYR HE1 H 1 6.756 0.03 . 3 . . . . 90 TYR HE1 . 7371 1 1114 . 1 1 90 90 TYR HE2 H 1 6.759 0.03 . 3 . . . . 90 TYR HE2 . 7371 1 1115 . 1 1 90 90 TYR C C 13 176.597 0.5 . 1 . . . . 90 TYR C . 7371 1 1116 . 1 1 90 90 TYR CA C 13 59.821 0.5 . 1 . . . . 90 TYR CA . 7371 1 1117 . 1 1 90 90 TYR CB C 13 38.265 0.5 . 1 . . . . 90 TYR CB . 7371 1 1118 . 1 1 90 90 TYR CD1 C 13 132.766 0.5 . 3 . . . . 90 TYR CD1 . 7371 1 1119 . 1 1 90 90 TYR CD2 C 13 132.766 0.5 . 3 . . . . 90 TYR CD2 . 7371 1 1120 . 1 1 90 90 TYR CE1 C 13 117.798 0.5 . 3 . . . . 90 TYR CE1 . 7371 1 1121 . 1 1 90 90 TYR CE2 C 13 117.798 0.5 . 3 . . . . 90 TYR CE2 . 7371 1 1122 . 1 1 90 90 TYR N N 15 119.834 0.5 . 1 . . . . 90 TYR N . 7371 1 1123 . 1 1 91 91 ARG H H 1 8.129 0.03 . 1 . . . . 91 ARG H . 7371 1 1124 . 1 1 91 91 ARG HA H 1 3.915 0.03 . 1 . . . . 91 ARG HA . 7371 1 1125 . 1 1 91 91 ARG HB2 H 1 1.859 0.03 . 2 . . . . 91 ARG HB2 . 7371 1 1126 . 1 1 91 91 ARG HB3 H 1 1.858 0.03 . 2 . . . . 91 ARG HB3 . 7371 1 1127 . 1 1 91 91 ARG HD2 H 1 3.168 0.03 . 2 . . . . 91 ARG HD2 . 7371 1 1128 . 1 1 91 91 ARG HD3 H 1 3.162 0.03 . 2 . . . . 91 ARG HD3 . 7371 1 1129 . 1 1 91 91 ARG HG2 H 1 1.750 0.03 . 2 . . . . 91 ARG HG2 . 7371 1 1130 . 1 1 91 91 ARG HG3 H 1 1.614 0.03 . 2 . . . . 91 ARG HG3 . 7371 1 1131 . 1 1 91 91 ARG C C 13 177.845 0.5 . 1 . . . . 91 ARG C . 7371 1 1132 . 1 1 91 91 ARG CA C 13 58.342 0.5 . 1 . . . . 91 ARG CA . 7371 1 1133 . 1 1 91 91 ARG CB C 13 30.020 0.5 . 1 . . . . 91 ARG CB . 7371 1 1134 . 1 1 91 91 ARG CD C 13 43.324 0.5 . 1 . . . . 91 ARG CD . 7371 1 1135 . 1 1 91 91 ARG CG C 13 27.47 0.5 . 1 . . . . 91 ARG CG . 7371 1 1136 . 1 1 91 91 ARG N N 15 119.266 0.5 . 1 . . . . 91 ARG N . 7371 1 1137 . 1 1 92 92 GLN H H 1 8.091 0.03 . 1 . . . . 92 GLN H . 7371 1 1138 . 1 1 92 92 GLN HA H 1 4.117 0.03 . 1 . . . . 92 GLN HA . 7371 1 1139 . 1 1 92 92 GLN HB2 H 1 2.095 0.03 . 2 . . . . 92 GLN HB2 . 7371 1 1140 . 1 1 92 92 GLN HB3 H 1 2.085 0.03 . 2 . . . . 92 GLN HB3 . 7371 1 1141 . 1 1 92 92 GLN HE21 H 1 7.518 0.03 . 2 . . . . 92 GLN HE21 . 7371 1 1142 . 1 1 92 92 GLN HE22 H 1 6.850 0.03 . 2 . . . . 92 GLN HE22 . 7371 1 1143 . 1 1 92 92 GLN HG2 H 1 2.452 0.03 . 2 . . . . 92 GLN HG2 . 7371 1 1144 . 1 1 92 92 GLN HG3 H 1 2.352 0.03 . 2 . . . . 92 GLN HG3 . 7371 1 1145 . 1 1 92 92 GLN C C 13 177.531 0.5 . 1 . . . . 92 GLN C . 7371 1 1146 . 1 1 92 92 GLN CA C 13 57.913 0.5 . 1 . . . . 92 GLN CA . 7371 1 1147 . 1 1 92 92 GLN CB C 13 28.758 0.5 . 1 . . . . 92 GLN CB . 7371 1 1148 . 1 1 92 92 GLN CG C 13 33.970 0.5 . 1 . . . . 92 GLN CG . 7371 1 1149 . 1 1 92 92 GLN N N 15 119.027 0.5 . 1 . . . . 92 GLN N . 7371 1 1150 . 1 1 92 92 GLN NE2 N 15 111.973 0.5 . 1 . . . . 92 GLN NE2 . 7371 1 1151 . 1 1 93 93 LEU H H 1 7.926 0.03 . 1 . . . . 93 LEU H . 7371 1 1152 . 1 1 93 93 LEU HA H 1 4.172 0.03 . 1 . . . . 93 LEU HA . 7371 1 1153 . 1 1 93 93 LEU HB2 H 1 1.745 0.03 . 2 . . . . 93 LEU HB2 . 7371 1 1154 . 1 1 93 93 LEU HB3 H 1 1.588 0.03 . 2 . . . . 93 LEU HB3 . 7371 1 1155 . 1 1 93 93 LEU HD11 H 1 0.890 0.03 . 1 . . . . 93 LEU HD1 . 7371 1 1156 . 1 1 93 93 LEU HD12 H 1 0.890 0.03 . 1 . . . . 93 LEU HD1 . 7371 1 1157 . 1 1 93 93 LEU HD13 H 1 0.890 0.03 . 1 . . . . 93 LEU HD1 . 7371 1 1158 . 1 1 93 93 LEU HD21 H 1 0.837 0.03 . 1 . . . . 93 LEU HD2 . 7371 1 1159 . 1 1 93 93 LEU HD22 H 1 0.837 0.03 . 1 . . . . 93 LEU HD2 . 7371 1 1160 . 1 1 93 93 LEU HD23 H 1 0.837 0.03 . 1 . . . . 93 LEU HD2 . 7371 1 1161 . 1 1 93 93 LEU HG H 1 1.687 0.03 . 1 . . . . 93 LEU HG . 7371 1 1162 . 1 1 93 93 LEU C C 13 178.396 0.5 . 1 . . . . 93 LEU C . 7371 1 1163 . 1 1 93 93 LEU CA C 13 56.626 0.5 . 1 . . . . 93 LEU CA . 7371 1 1164 . 1 1 93 93 LEU CB C 13 41.870 0.5 . 1 . . . . 93 LEU CB . 7371 1 1165 . 1 1 93 93 LEU CD1 C 13 25.172 0.5 . 1 . . . . 93 LEU CD1 . 7371 1 1166 . 1 1 93 93 LEU CD2 C 13 23.566 0.5 . 1 . . . . 93 LEU CD2 . 7371 1 1167 . 1 1 93 93 LEU CG C 13 26.942 0.5 . 1 . . . . 93 LEU CG . 7371 1 1168 . 1 1 93 93 LEU N N 15 121.365 0.5 . 1 . . . . 93 LEU N . 7371 1 1169 . 1 1 94 94 LEU H H 1 7.831 0.03 . 1 . . . . 94 LEU H . 7371 1 1170 . 1 1 94 94 LEU HA H 1 4.103 0.03 . 1 . . . . 94 LEU HA . 7371 1 1171 . 1 1 94 94 LEU HB2 H 1 1.598 0.03 . 2 . . . . 94 LEU HB2 . 7371 1 1172 . 1 1 94 94 LEU HB3 H 1 1.475 0.03 . 2 . . . . 94 LEU HB3 . 7371 1 1173 . 1 1 94 94 LEU HD11 H 1 0.765 0.03 . 1 . . . . 94 LEU HD1 . 7371 1 1174 . 1 1 94 94 LEU HD12 H 1 0.765 0.03 . 1 . . . . 94 LEU HD1 . 7371 1 1175 . 1 1 94 94 LEU HD13 H 1 0.765 0.03 . 1 . . . . 94 LEU HD1 . 7371 1 1176 . 1 1 94 94 LEU HD21 H 1 0.754 0.03 . 1 . . . . 94 LEU HD2 . 7371 1 1177 . 1 1 94 94 LEU HD22 H 1 0.754 0.03 . 1 . . . . 94 LEU HD2 . 7371 1 1178 . 1 1 94 94 LEU HD23 H 1 0.754 0.03 . 1 . . . . 94 LEU HD2 . 7371 1 1179 . 1 1 94 94 LEU HG H 1 1.496 0.03 . 1 . . . . 94 LEU HG . 7371 1 1180 . 1 1 94 94 LEU C C 13 178.095 0.5 . 1 . . . . 94 LEU C . 7371 1 1181 . 1 1 94 94 LEU CA C 13 56.054 0.5 . 1 . . . . 94 LEU CA . 7371 1 1182 . 1 1 94 94 LEU CB C 13 42.163 0.5 . 1 . . . . 94 LEU CB . 7371 1 1183 . 1 1 94 94 LEU CD1 C 13 25.079 0.5 . 1 . . . . 94 LEU CD1 . 7371 1 1184 . 1 1 94 94 LEU CD2 C 13 23.243 0.5 . 1 . . . . 94 LEU CD2 . 7371 1 1185 . 1 1 94 94 LEU CG C 13 26.577 0.5 . 1 . . . . 94 LEU CG . 7371 1 1186 . 1 1 94 94 LEU N N 15 120.130 0.5 . 1 . . . . 94 LEU N . 7371 1 1187 . 1 1 95 95 GLU H H 1 7.902 0.03 . 1 . . . . 95 GLU H . 7371 1 1188 . 1 1 95 95 GLU HA H 1 4.088 0.03 . 1 . . . . 95 GLU HA . 7371 1 1189 . 1 1 95 95 GLU HB2 H 1 1.914 0.03 . 2 . . . . 95 GLU HB2 . 7371 1 1190 . 1 1 95 95 GLU HG2 H 1 2.260 0.03 . 2 . . . . 95 GLU HG2 . 7371 1 1191 . 1 1 95 95 GLU HG3 H 1 2.135 0.03 . 2 . . . . 95 GLU HG3 . 7371 1 1192 . 1 1 95 95 GLU CA C 13 57.280 0.5 . 1 . . . . 95 GLU CA . 7371 1 1193 . 1 1 95 95 GLU CB C 13 29.931 0.5 . 1 . . . . 95 GLU CB . 7371 1 1194 . 1 1 95 95 GLU CG C 13 36.158 0.5 . 1 . . . . 95 GLU CG . 7371 1 1195 . 1 1 95 95 GLU N N 15 119.460 0.5 . 1 . . . . 95 GLU N . 7371 1 stop_ save_