data_16313 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16313 _Entry.Title ; NMR Solution Structure of a Tubulin folding cofactor B obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium target AR3436A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-22 _Entry.Accession_date 2009-05-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'This is a methods development target from the Northeast Structural Genomics Consortium. RMSD of the structure was calculated on only the core residues (13-26,29-37,57-63,67-73,77,88-95) as obtained from FindCore software (Ref: Snyder et al., Proteins: Structure, Function and Bioinformatics, Vol 59, 2005, 673-686).' _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 Rajeswari Mani . . . 16313 2 Swapna Gurla . V.T. . 16313 3 Ritu Shastry . . . 16313 4 Erica Foote . . . 16313 5 Colleen Ciccosanti . . . 16313 6 Mei Jiang . . . 16313 7 Rong Xiao . . . 16313 8 Rajesh Nair . . . 16313 9 John Everett . . . 16313 10 Yuanpeng Huang . . . 16313 11 Tom Acton . . . 16313 12 Burkhard Rost . . . 16313 13 Gaetano Montelione . . . 16313 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' . 16313 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AR3436A . 16313 'Arabidopsis thaliana' . 16313 NESG . 16313 'Solution NMR' . 16313 'Tubulin folding cofactor B' . 16313 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16313 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 16313 '15N chemical shifts' 86 16313 '1H chemical shifts' 551 16313 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-03 2009-05-22 update BMRB 'edit assembly name' 16313 1 . . 2009-10-20 2009-05-22 original author 'original release' 16313 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16313 _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 'NMR Solution Structure of Tbulin folding Cofactor B obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rajeswari Mani . . . 16313 1 2 Swapna Gurla . V.T. . 16313 1 3 Ritu Shastry . . . 16313 1 4 Erica Foote . . . 16313 1 5 Colleen Ciccosanti . . . 16313 1 6 Mei Jiang . . . 16313 1 7 Rong Xiao . . . 16313 1 8 Rajesh Nair . . . 16313 1 9 John Everett . . . 16313 1 10 Yuanpeng Huang . . . 16313 1 11 Tom Acton . . . 16313 1 12 Burkhard Rost . . . 16313 1 13 Gaetano Montelione . . . 16313 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16313 _Assembly.ID 1 _Assembly.Name AR3436A _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 AR3436A 1 $AR3436A A . yes native no no . . . 16313 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AR3436A _Entity.Sf_category entity _Entity.Sf_framecode AR3436A _Entity.Entry_ID 16313 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AR3436A _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 ; MGHHHHHHSHGDDSVHLHIT HANLKSFSADARFSPQMSVE AVKEKLWKKCGTSVNSMALE LYDDSGSKVAVLSDDSRPLG FFSPFDGFRLHIIDLDP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-97 _Entity.Polymer_author_seq_details '1-10 residues - MGHHHHHHSH is a N-terminal tag' _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10852.224 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KJ6 . "Nmr Solution Structure Of A Tubulin Folding Cofactor B Obtained From Arabidopsis Thaliana: Northeast Structural Genomics Consor" . . . . . 100.00 97 100.00 100.00 1.75e-62 . . . . 16313 1 2 no DBJ BAD43946 . "tubulin folding cofactor B [Arabidopsis thaliana]" . . . . . 90.72 243 98.86 98.86 3.19e-54 . . . . 16313 1 3 no DBJ BAD44029 . "tubulin folding cofactor B [Arabidopsis thaliana]" . . . . . 90.72 243 98.86 98.86 3.19e-54 . . . . 16313 1 4 no DBJ BAD44467 . "tubulin folding cofactor B [Arabidopsis thaliana]" . . . . . 90.72 243 97.73 97.73 4.81e-53 . . . . 16313 1 5 no GB AAF02820 . "putative cytoskeleton-associated protein [Arabidopsis thaliana]" . . . . . 90.72 240 98.86 98.86 3.80e-54 . . . . 16313 1 6 no GB AAM22958 . "tubulin folding cofactor B [Arabidopsis thaliana]" . . . . . 90.72 243 97.73 97.73 3.37e-53 . . . . 16313 1 7 no GB AEE74873 . "tubulin-binding cofactor [Arabidopsis thaliana]" . . . . . 90.72 243 98.86 98.86 3.19e-54 . . . . 16313 1 8 no REF NP_187633 . "tubulin-binding cofactor B [Arabidopsis thaliana]" . . . . . 90.72 243 98.86 98.86 3.19e-54 . . . . 16313 1 9 no SP Q67Z52 . "RecName: Full=Tubulin-folding cofactor B; Short=AtTFCB; AltName: Full=Protein EMBRYO DEFECTIVE 2804" . . . . . 90.72 243 98.86 98.86 3.19e-54 . . . . 16313 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 . 16313 1 2 . GLY . 16313 1 3 . HIS . 16313 1 4 . HIS . 16313 1 5 . HIS . 16313 1 6 . HIS . 16313 1 7 . HIS . 16313 1 8 . HIS . 16313 1 9 . SER . 16313 1 10 . HIS . 16313 1 11 . GLY . 16313 1 12 . ASP . 16313 1 13 . ASP . 16313 1 14 . SER . 16313 1 15 . VAL . 16313 1 16 . HIS . 16313 1 17 . LEU . 16313 1 18 . HIS . 16313 1 19 . ILE . 16313 1 20 . THR . 16313 1 21 . HIS . 16313 1 22 . ALA . 16313 1 23 . ASN . 16313 1 24 . LEU . 16313 1 25 . LYS . 16313 1 26 . SER . 16313 1 27 . PHE . 16313 1 28 . SER . 16313 1 29 . ALA . 16313 1 30 . ASP . 16313 1 31 . ALA . 16313 1 32 . ARG . 16313 1 33 . PHE . 16313 1 34 . SER . 16313 1 35 . PRO . 16313 1 36 . GLN . 16313 1 37 . MET . 16313 1 38 . SER . 16313 1 39 . VAL . 16313 1 40 . GLU . 16313 1 41 . ALA . 16313 1 42 . VAL . 16313 1 43 . LYS . 16313 1 44 . GLU . 16313 1 45 . LYS . 16313 1 46 . LEU . 16313 1 47 . TRP . 16313 1 48 . LYS . 16313 1 49 . LYS . 16313 1 50 . CYS . 16313 1 51 . GLY . 16313 1 52 . THR . 16313 1 53 . SER . 16313 1 54 . VAL . 16313 1 55 . ASN . 16313 1 56 . SER . 16313 1 57 . MET . 16313 1 58 . ALA . 16313 1 59 . LEU . 16313 1 60 . GLU . 16313 1 61 . LEU . 16313 1 62 . TYR . 16313 1 63 . ASP . 16313 1 64 . ASP . 16313 1 65 . SER . 16313 1 66 . GLY . 16313 1 67 . SER . 16313 1 68 . LYS . 16313 1 69 . VAL . 16313 1 70 . ALA . 16313 1 71 . VAL . 16313 1 72 . LEU . 16313 1 73 . SER . 16313 1 74 . ASP . 16313 1 75 . ASP . 16313 1 76 . SER . 16313 1 77 . ARG . 16313 1 78 . PRO . 16313 1 79 . LEU . 16313 1 80 . GLY . 16313 1 81 . PHE . 16313 1 82 . PHE . 16313 1 83 . SER . 16313 1 84 . PRO . 16313 1 85 . PHE . 16313 1 86 . ASP . 16313 1 87 . GLY . 16313 1 88 . PHE . 16313 1 89 . ARG . 16313 1 90 . LEU . 16313 1 91 . HIS . 16313 1 92 . ILE . 16313 1 93 . ILE . 16313 1 94 . ASP . 16313 1 95 . LEU . 16313 1 96 . ASP . 16313 1 97 . PRO . 16313 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 16313 1 . GLY 2 2 16313 1 . HIS 3 3 16313 1 . HIS 4 4 16313 1 . HIS 5 5 16313 1 . HIS 6 6 16313 1 . HIS 7 7 16313 1 . HIS 8 8 16313 1 . SER 9 9 16313 1 . HIS 10 10 16313 1 . GLY 11 11 16313 1 . ASP 12 12 16313 1 . ASP 13 13 16313 1 . SER 14 14 16313 1 . VAL 15 15 16313 1 . HIS 16 16 16313 1 . LEU 17 17 16313 1 . HIS 18 18 16313 1 . ILE 19 19 16313 1 . THR 20 20 16313 1 . HIS 21 21 16313 1 . ALA 22 22 16313 1 . ASN 23 23 16313 1 . LEU 24 24 16313 1 . LYS 25 25 16313 1 . SER 26 26 16313 1 . PHE 27 27 16313 1 . SER 28 28 16313 1 . ALA 29 29 16313 1 . ASP 30 30 16313 1 . ALA 31 31 16313 1 . ARG 32 32 16313 1 . PHE 33 33 16313 1 . SER 34 34 16313 1 . PRO 35 35 16313 1 . GLN 36 36 16313 1 . MET 37 37 16313 1 . SER 38 38 16313 1 . VAL 39 39 16313 1 . GLU 40 40 16313 1 . ALA 41 41 16313 1 . VAL 42 42 16313 1 . LYS 43 43 16313 1 . GLU 44 44 16313 1 . LYS 45 45 16313 1 . LEU 46 46 16313 1 . TRP 47 47 16313 1 . LYS 48 48 16313 1 . LYS 49 49 16313 1 . CYS 50 50 16313 1 . GLY 51 51 16313 1 . THR 52 52 16313 1 . SER 53 53 16313 1 . VAL 54 54 16313 1 . ASN 55 55 16313 1 . SER 56 56 16313 1 . MET 57 57 16313 1 . ALA 58 58 16313 1 . LEU 59 59 16313 1 . GLU 60 60 16313 1 . LEU 61 61 16313 1 . TYR 62 62 16313 1 . ASP 63 63 16313 1 . ASP 64 64 16313 1 . SER 65 65 16313 1 . GLY 66 66 16313 1 . SER 67 67 16313 1 . LYS 68 68 16313 1 . VAL 69 69 16313 1 . ALA 70 70 16313 1 . VAL 71 71 16313 1 . LEU 72 72 16313 1 . SER 73 73 16313 1 . ASP 74 74 16313 1 . ASP 75 75 16313 1 . SER 76 76 16313 1 . ARG 77 77 16313 1 . PRO 78 78 16313 1 . LEU 79 79 16313 1 . GLY 80 80 16313 1 . PHE 81 81 16313 1 . PHE 82 82 16313 1 . SER 83 83 16313 1 . PRO 84 84 16313 1 . PHE 85 85 16313 1 . ASP 86 86 16313 1 . GLY 87 87 16313 1 . PHE 88 88 16313 1 . ARG 89 89 16313 1 . LEU 90 90 16313 1 . HIS 91 91 16313 1 . ILE 92 92 16313 1 . ILE 93 93 16313 1 . ASP 94 94 16313 1 . LEU 95 95 16313 1 . ASP 96 96 16313 1 . PRO 97 97 16313 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 16313 _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 $AR3436A . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . OrderedLocusNames:At3g10220 . . . . 16313 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 16313 _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 $AR3436A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16313 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16313 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.78mM, 5%D2O, 0.02%NaN3, 100mM DTT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AR3436A '[U-100% 13C; U-100% 15N]' . . 1 $AR3436A . . 0.78 . . mM . . . . 16313 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16313 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16313 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16313 1 5 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16313 1 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16313 1 7 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 16313 1 8 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16313 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16313 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.95mM, 5%D2O, 0.02%NaN3, 100mM DTT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AR3436A '[U-100% 13C; U-100% 15N]' . . 1 $AR3436A . . 0.95 . . mM . . . . 16313 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16313 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16313 2 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16313 2 5 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16313 2 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16313 2 7 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 16313 2 8 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16313 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16313 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4mM, 5%D2O, 0.02%NaN3, 100mM DTT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/15% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AR3436A '[U-100% 13C; U-100% 15N]' . . 1 $AR3436A . . 0.4 . . mM . . . . 16313 3 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16313 3 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16313 3 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16313 3 5 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16313 3 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16313 3 7 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 16313 3 8 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16313 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16313 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4mM, 5%D2O, 0.02%NaN3, 100mM DTT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AR3436A '[U-10% 13C; U-100% 15N]' . . 1 $AR3436A . . 0.56 . . mM . . . . 16313 4 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16313 4 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16313 4 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16313 4 5 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16313 4 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16313 4 7 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 16313 4 8 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16313 4 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 16313 _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' 15 . mM 16313 1 pH 6.5 . pH 16313 1 pressure 1 . atm 16313 1 temperature 293 . K 16313 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16313 _Software.ID 1 _Software.Name CNS _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16313 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16313 1 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16313 _Software.ID 2 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16313 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16313 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16313 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16313 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16313 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16313 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16313 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16313 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16313 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16313 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16313 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16313 _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 . 800 . . . 16313 1 2 spectrometer_2 Varian INOVA . 600 . . . 16313 1 3 spectrometer_3 Varian INOVA . 500 . . . 16313 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 16313 _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 1H-15N NOESY' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16313 1 2 '3D 1H-13Caliphatic NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16313 1 3 '3D 1H-13C aromatic NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16313 1 4 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16313 1 5 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16313 1 6 '2D 1H-15N HSQC' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16313 1 7 '2D 1H-13C HSQC' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16313 1 8 '3D HBHA(CO)NH' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 9 '3D CBCA(CO)NH' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 10 '(4,3)D GFT-HNNCABCA' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 11 '(4,3)D GFT-CABCACA(CO)NHN' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 12 '3D HNCO' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 13 '3D HNCA' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 14 '3D HNCACB' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 15 '3D HNHA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16313 1 16 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 17 '3D HCCH-TOCSY' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 18 '(4,3)D GFT-HABCAB(CO)NHN' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 19 '3D C(CO)NH-TOCSY' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 1 20 '3D CCH-TOCSY' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16313 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 16313 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal DSS used to reference proton spectrum' 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 external indirect 0.25144953 . . . 1 $entry_citation . . 1 $entry_citation 16313 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 16313 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16313 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 16313 _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 6 '2D 1H-15N HSQC' . . . 16313 1 7 '2D 1H-13C HSQC' . . . 16313 1 8 '3D HBHA(CO)NH' . . . 16313 1 9 '3D CBCA(CO)NH' . . . 16313 1 10 '(4,3)D GFT-HNNCABCA' . . . 16313 1 11 '(4,3)D GFT-CABCACA(CO)NHN' . . . 16313 1 12 '3D HNCO' . . . 16313 1 13 '3D HNCA' . . . 16313 1 14 '3D HNCACB' . . . 16313 1 16 '3D H(CCO)NH' . . . 16313 1 17 '3D HCCH-TOCSY' . . . 16313 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $AutoAssign . . 16313 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 10 10 HIS HA H 1 4.439 0.05 . 1 . . . . 10 His HA . 16313 1 2 . 1 1 10 10 HIS HB2 H 1 2.077 0.05 . 2 . . . . 10 His HB2 . 16313 1 3 . 1 1 10 10 HIS HB3 H 1 1.949 0.05 . 2 . . . . 10 His HB3 . 16313 1 4 . 1 1 10 10 HIS CA C 13 55.74 0.5 . 1 . . . . 10 His CA . 16313 1 5 . 1 1 10 10 HIS CB C 13 32.49 0.5 . 1 . . . . 10 His CB . 16313 1 6 . 1 1 11 11 GLY H H 1 8.463 0.05 . 1 . . . . 11 Gly H . 16313 1 7 . 1 1 11 11 GLY HA2 H 1 3.93 0.05 . 2 . . . . 11 Gly HA2 . 16313 1 8 . 1 1 11 11 GLY HA3 H 1 3.989 0.05 . 2 . . . . 11 Gly HA3 . 16313 1 9 . 1 1 11 11 GLY C C 13 173.72 0.5 . 1 . . . . 11 Gly C . 16313 1 10 . 1 1 11 11 GLY CA C 13 45.45 0.5 . 1 . . . . 11 Gly CA . 16313 1 11 . 1 1 11 11 GLY N N 15 110.2 0.5 . 1 . . . . 11 Gly N . 16313 1 12 . 1 1 12 12 ASP H H 1 8.174 0.05 . 1 . . . . 12 Asp H . 16313 1 13 . 1 1 12 12 ASP HA H 1 4.656 0.05 . 1 . . . . 12 Asp HA . 16313 1 14 . 1 1 12 12 ASP HB2 H 1 2.736 0.05 . 1 . . . . 12 Asp HB2 . 16313 1 15 . 1 1 12 12 ASP HB3 H 1 2.69 0.05 . 1 . . . . 12 Asp HB3 . 16313 1 16 . 1 1 12 12 ASP C C 13 174.95 0.5 . 1 . . . . 12 Asp C . 16313 1 17 . 1 1 12 12 ASP CA C 13 54.14 0.5 . 1 . . . . 12 Asp CA . 16313 1 18 . 1 1 12 12 ASP CB C 13 41.37 0.5 . 1 . . . . 12 Asp CB . 16313 1 19 . 1 1 12 12 ASP N N 15 120.3 0.5 . 1 . . . . 12 Asp N . 16313 1 20 . 1 1 13 13 ASP H H 1 8.405 0.05 . 1 . . . . 13 Asp H . 16313 1 21 . 1 1 13 13 ASP HA H 1 4.63 0.05 . 1 . . . . 13 Asp HA . 16313 1 22 . 1 1 13 13 ASP HB2 H 1 2.789 0.05 . 1 . . . . 13 Asp HB2 . 16313 1 23 . 1 1 13 13 ASP HB3 H 1 2.651 0.05 . 1 . . . . 13 Asp HB3 . 16313 1 24 . 1 1 13 13 ASP C C 13 176.04 0.5 . 1 . . . . 13 Asp C . 16313 1 25 . 1 1 13 13 ASP CA C 13 53.91 0.5 . 1 . . . . 13 Asp CA . 16313 1 26 . 1 1 13 13 ASP CB C 13 40.84 0.5 . 1 . . . . 13 Asp CB . 16313 1 27 . 1 1 13 13 ASP N N 15 121.7 0.5 . 1 . . . . 13 Asp N . 16313 1 28 . 1 1 14 14 SER H H 1 8.12 0.05 . 1 . . . . 14 Ser H . 16313 1 29 . 1 1 14 14 SER HA H 1 4.57 0.05 . 1 . . . . 14 Ser HA . 16313 1 30 . 1 1 14 14 SER HB2 H 1 3.755 0.05 . 1 . . . . 14 Ser HB2 . 16313 1 31 . 1 1 14 14 SER HB3 H 1 3.597 0.05 . 1 . . . . 14 Ser HB3 . 16313 1 32 . 1 1 14 14 SER C C 13 173.35 0.5 . 1 . . . . 14 Ser C . 16313 1 33 . 1 1 14 14 SER CA C 13 59.25 0.5 . 1 . . . . 14 Ser CA . 16313 1 34 . 1 1 14 14 SER CB C 13 64.956 0.5 . 1 . . . . 14 Ser CB . 16313 1 35 . 1 1 14 14 SER N N 15 114.4 0.5 . 1 . . . . 14 Ser N . 16313 1 36 . 1 1 15 15 VAL H H 1 8.859 0.05 . 1 . . . . 15 Val H . 16313 1 37 . 1 1 15 15 VAL HA H 1 4.754 0.05 . 1 . . . . 15 Val HA . 16313 1 38 . 1 1 15 15 VAL HB H 1 1.821 0.05 . 1 . . . . 15 Val HB . 16313 1 39 . 1 1 15 15 VAL HG11 H 1 0.770 0.05 . 1 . . . . 15 Val HG1 . 16313 1 40 . 1 1 15 15 VAL HG12 H 1 0.770 0.05 . 1 . . . . 15 Val HG1 . 16313 1 41 . 1 1 15 15 VAL HG13 H 1 0.770 0.05 . 1 . . . . 15 Val HG1 . 16313 1 42 . 1 1 15 15 VAL HG21 H 1 0.78 0.05 . 1 . . . . 15 Val HG2 . 16313 1 43 . 1 1 15 15 VAL HG22 H 1 0.78 0.05 . 1 . . . . 15 Val HG2 . 16313 1 44 . 1 1 15 15 VAL HG23 H 1 0.78 0.05 . 1 . . . . 15 Val HG2 . 16313 1 45 . 1 1 15 15 VAL C C 13 174.29 0.5 . 1 . . . . 15 Val C . 16313 1 46 . 1 1 15 15 VAL CA C 13 59.546 0.5 . 1 . . . . 15 Val CA . 16313 1 47 . 1 1 15 15 VAL CB C 13 34.83 0.5 . 1 . . . . 15 Val CB . 16313 1 48 . 1 1 15 15 VAL CG1 C 13 20.95 0.5 . 1 . . . . 15 Val CG1 . 16313 1 49 . 1 1 15 15 VAL CG2 C 13 20.2 0.5 . 1 . . . . 15 Val CG2 . 16313 1 50 . 1 1 15 15 VAL N N 15 118.659 0.5 . 1 . . . . 15 Val N . 16313 1 51 . 1 1 16 16 HIS H H 1 9.376 0.05 . 1 . . . . 16 His H . 16313 1 52 . 1 1 16 16 HIS HA H 1 5.03 0.05 . 1 . . . . 16 His HA . 16313 1 53 . 1 1 16 16 HIS HB2 H 1 3.202 0.05 . 1 . . . . 16 His HB2 . 16313 1 54 . 1 1 16 16 HIS HB3 H 1 3.121 0.05 . 1 . . . . 16 His HB3 . 16313 1 55 . 1 1 16 16 HIS HD2 H 1 6.806 0.05 . 1 . . . . 16 His HD2 . 16313 1 56 . 1 1 16 16 HIS C C 13 173.70 0.5 . 1 . . . . 16 His C . 16313 1 57 . 1 1 16 16 HIS CA C 13 54.914 0.5 . 1 . . . . 16 His CA . 16313 1 58 . 1 1 16 16 HIS CB C 13 30.3 0.5 . 1 . . . . 16 His CB . 16313 1 59 . 1 1 16 16 HIS CD2 C 13 118 0.5 . 1 . . . . 16 His CD2 . 16313 1 60 . 1 1 16 16 HIS N N 15 126.974 0.5 . 1 . . . . 16 His N . 16313 1 61 . 1 1 17 17 LEU H H 1 8.888 0.05 . 1 . . . . 17 Leu H . 16313 1 62 . 1 1 17 17 LEU HA H 1 5.1 0.05 . 1 . . . . 17 Leu HA . 16313 1 63 . 1 1 17 17 LEU HB2 H 1 1.68 0.05 . 1 . . . . 17 Leu HB2 . 16313 1 64 . 1 1 17 17 LEU HB3 H 1 1.46 0.05 . 1 . . . . 17 Leu HB3 . 16313 1 65 . 1 1 17 17 LEU HD11 H 1 0.681 0.05 . 2 . . . . 17 Leu HD1 . 16313 1 66 . 1 1 17 17 LEU HD12 H 1 0.681 0.05 . 2 . . . . 17 Leu HD1 . 16313 1 67 . 1 1 17 17 LEU HD13 H 1 0.681 0.05 . 2 . . . . 17 Leu HD1 . 16313 1 68 . 1 1 17 17 LEU HD21 H 1 0.681 0.05 . 2 . . . . 17 Leu HD2 . 16313 1 69 . 1 1 17 17 LEU HD22 H 1 0.681 0.05 . 2 . . . . 17 Leu HD2 . 16313 1 70 . 1 1 17 17 LEU HD23 H 1 0.681 0.05 . 2 . . . . 17 Leu HD2 . 16313 1 71 . 1 1 17 17 LEU HG H 1 1.584 0.05 . 1 . . . . 17 Leu HG . 16313 1 72 . 1 1 17 17 LEU C C 13 175.75 0.5 . 1 . . . . 17 Leu C . 16313 1 73 . 1 1 17 17 LEU CA C 13 53.16 0.5 . 1 . . . . 17 Leu CA . 16313 1 74 . 1 1 17 17 LEU CB C 13 44.89 0.5 . 1 . . . . 17 Leu CB . 16313 1 75 . 1 1 17 17 LEU CD1 C 13 25.36 0.5 . 2 . . . . 17 Leu CD1 . 16313 1 76 . 1 1 17 17 LEU CD2 C 13 25.36 0.5 . 2 . . . . 17 Leu CD2 . 16313 1 77 . 1 1 17 17 LEU CG C 13 26.35 0.5 . 1 . . . . 17 Leu CG . 16313 1 78 . 1 1 17 17 LEU N N 15 126.426 0.5 . 1 . . . . 17 Leu N . 16313 1 79 . 1 1 18 18 HIS H H 1 8.610 0.05 . 1 . . . . 18 His H . 16313 1 80 . 1 1 18 18 HIS HA H 1 5.191 0.05 . 1 . . . . 18 His HA . 16313 1 81 . 1 1 18 18 HIS HB2 H 1 3.2 0.05 . 1 . . . . 18 His HB2 . 16313 1 82 . 1 1 18 18 HIS HB3 H 1 2.96 0.05 . 1 . . . . 18 His HB3 . 16313 1 83 . 1 1 18 18 HIS HD2 H 1 6.96 0.05 . 1 . . . . 18 His HD2 . 16313 1 84 . 1 1 18 18 HIS C C 13 174.12 0.5 . 1 . . . . 18 His C . 16313 1 85 . 1 1 18 18 HIS CA C 13 55.12 0.5 . 1 . . . . 18 His CA . 16313 1 86 . 1 1 18 18 HIS CB C 13 31.0 0.5 . 1 . . . . 18 His CB . 16313 1 87 . 1 1 18 18 HIS CD2 C 13 120.5 0.5 . 1 . . . . 18 His CD2 . 16313 1 88 . 1 1 18 18 HIS N N 15 120.309 0.5 . 1 . . . . 18 His N . 16313 1 89 . 1 1 19 19 ILE H H 1 9.050 0.05 . 1 . . . . 19 Ile H . 16313 1 90 . 1 1 19 19 ILE HA H 1 5.704 0.05 . 1 . . . . 19 Ile HA . 16313 1 91 . 1 1 19 19 ILE HB H 1 1.812 0.05 . 1 . . . . 19 Ile HB . 16313 1 92 . 1 1 19 19 ILE HD11 H 1 0.9213 0.05 . 1 . . . . 19 Ile HD1 . 16313 1 93 . 1 1 19 19 ILE HD12 H 1 0.9213 0.05 . 1 . . . . 19 Ile HD1 . 16313 1 94 . 1 1 19 19 ILE HD13 H 1 0.9213 0.05 . 1 . . . . 19 Ile HD1 . 16313 1 95 . 1 1 19 19 ILE HG12 H 1 1.586 0.05 . 2 . . . . 19 Ile HG12 . 16313 1 96 . 1 1 19 19 ILE HG13 H 1 1.223 0.05 . 2 . . . . 19 Ile HG13 . 16313 1 97 . 1 1 19 19 ILE HG21 H 1 1.238 0.05 . 1 . . . . 19 Ile HG2 . 16313 1 98 . 1 1 19 19 ILE HG22 H 1 1.238 0.05 . 1 . . . . 19 Ile HG2 . 16313 1 99 . 1 1 19 19 ILE HG23 H 1 1.238 0.05 . 1 . . . . 19 Ile HG2 . 16313 1 100 . 1 1 19 19 ILE C C 13 175.89 0.5 . 1 . . . . 19 Ile C . 16313 1 101 . 1 1 19 19 ILE CA C 13 60.25 0.5 . 1 . . . . 19 Ile CA . 16313 1 102 . 1 1 19 19 ILE CB C 13 40.5 0.5 . 1 . . . . 19 Ile CB . 16313 1 103 . 1 1 19 19 ILE CD1 C 13 14.41 0.5 . 1 . . . . 19 Ile CD1 . 16313 1 104 . 1 1 19 19 ILE CG1 C 13 27.65 0.5 . 1 . . . . 19 Ile CG1 . 16313 1 105 . 1 1 19 19 ILE CG2 C 13 20.3 0.5 . 1 . . . . 19 Ile CG2 . 16313 1 106 . 1 1 19 19 ILE N N 15 123.672 0.5 . 1 . . . . 19 Ile N . 16313 1 107 . 1 1 20 20 THR H H 1 9.224 0.05 . 1 . . . . 20 Thr H . 16313 1 108 . 1 1 20 20 THR HA H 1 4.970 0.05 . 1 . . . . 20 Thr HA . 16313 1 109 . 1 1 20 20 THR HB H 1 4.865 0.05 . 1 . . . . 20 Thr HB . 16313 1 110 . 1 1 20 20 THR C C 13 172.92 0.5 . 1 . . . . 20 Thr C . 16313 1 111 . 1 1 20 20 THR CA C 13 60.960 0.5 . 1 . . . . 20 Thr CA . 16313 1 112 . 1 1 20 20 THR CB C 13 71.732 0.5 . 1 . . . . 20 Thr CB . 16313 1 113 . 1 1 20 20 THR CG2 C 13 22.527 0.5 . 1 . . . . 20 Thr CG2 . 16313 1 114 . 1 1 20 20 THR N N 15 117.905 0.5 . 1 . . . . 20 Thr N . 16313 1 115 . 1 1 21 21 HIS H H 1 9.755 0.05 . 1 . . . . 21 His H . 16313 1 116 . 1 1 21 21 HIS HA H 1 5.053 0.05 . 1 . . . . 21 His HA . 16313 1 117 . 1 1 21 21 HIS HB2 H 1 3.43 0.05 . 2 . . . . 21 His HB2 . 16313 1 118 . 1 1 21 21 HIS HB3 H 1 2.48 0.05 . 2 . . . . 21 His HB3 . 16313 1 119 . 1 1 21 21 HIS HD2 H 1 7.03 0.05 . 1 . . . . 21 His HD2 . 16313 1 120 . 1 1 21 21 HIS HE1 H 1 7.82 0.05 . 1 . . . . 21 His HE1 . 16313 1 121 . 1 1 21 21 HIS C C 13 175.83 0.5 . 1 . . . . 21 His C . 16313 1 122 . 1 1 21 21 HIS CA C 13 55.561 0.5 . 1 . . . . 21 His CA . 16313 1 123 . 1 1 21 21 HIS CB C 13 36.45 0.5 . 1 . . . . 21 His CB . 16313 1 124 . 1 1 21 21 HIS CD2 C 13 117 0.5 . 1 . . . . 21 His CD2 . 16313 1 125 . 1 1 21 21 HIS CE1 C 13 139.1 0.5 . 1 . . . . 21 His CE1 . 16313 1 126 . 1 1 21 21 HIS N N 15 122.170 0.5 . 1 . . . . 21 His N . 16313 1 127 . 1 1 22 22 ALA H H 1 9.098 0.05 . 1 . . . . 22 Ala H . 16313 1 128 . 1 1 22 22 ALA HA H 1 4.116 0.05 . 1 . . . . 22 Ala HA . 16313 1 129 . 1 1 22 22 ALA HB1 H 1 1.400 0.05 . 1 . . . . 22 Ala HB . 16313 1 130 . 1 1 22 22 ALA HB2 H 1 1.400 0.05 . 1 . . . . 22 Ala HB . 16313 1 131 . 1 1 22 22 ALA HB3 H 1 1.400 0.05 . 1 . . . . 22 Ala HB . 16313 1 132 . 1 1 22 22 ALA C C 13 178.34 0.5 . 1 . . . . 22 Ala C . 16313 1 133 . 1 1 22 22 ALA CA C 13 54.67 0.5 . 1 . . . . 22 Ala CA . 16313 1 134 . 1 1 22 22 ALA CB C 13 20.87 0.5 . 1 . . . . 22 Ala CB . 16313 1 135 . 1 1 22 22 ALA N N 15 128.332 0.5 . 1 . . . . 22 Ala N . 16313 1 136 . 1 1 23 23 ASN H H 1 10.395 0.05 . 1 . . . . 23 Asn H . 16313 1 137 . 1 1 23 23 ASN HA H 1 5.066 0.05 . 1 . . . . 23 Asn HA . 16313 1 138 . 1 1 23 23 ASN HB2 H 1 3.066 0.05 . 2 . . . . 23 Asn HB2 . 16313 1 139 . 1 1 23 23 ASN HB3 H 1 2.719 0.05 . 2 . . . . 23 Asn HB3 . 16313 1 140 . 1 1 23 23 ASN HD21 H 1 7.901 0.05 . 2 . . . . 23 Asn HD21 . 16313 1 141 . 1 1 23 23 ASN HD22 H 1 7.018 0.05 . 2 . . . . 23 Asn HD22 . 16313 1 142 . 1 1 23 23 ASN C C 13 175.09 0.5 . 1 . . . . 23 Asn C . 16313 1 143 . 1 1 23 23 ASN CA C 13 53.649 0.5 . 1 . . . . 23 Asn CA . 16313 1 144 . 1 1 23 23 ASN CB C 13 41.16 0.5 . 1 . . . . 23 Asn CB . 16313 1 145 . 1 1 23 23 ASN N N 15 116.400 0.5 . 1 . . . . 23 Asn N . 16313 1 146 . 1 1 23 23 ASN ND2 N 15 111.3 0.5 . 1 . . . . 23 Asn ND2 . 16313 1 147 . 1 1 24 24 LEU H H 1 7.752 0.05 . 1 . . . . 24 Leu H . 16313 1 148 . 1 1 24 24 LEU HA H 1 4.637 0.05 . 1 . . . . 24 Leu HA . 16313 1 149 . 1 1 24 24 LEU HB2 H 1 1.37 0.05 . 2 . . . . 24 Leu HB2 . 16313 1 150 . 1 1 24 24 LEU HB3 H 1 1.37 0.05 . 2 . . . . 24 Leu HB3 . 16313 1 151 . 1 1 24 24 LEU HD11 H 1 0.289 0.05 . 2 . . . . 24 Leu HD1 . 16313 1 152 . 1 1 24 24 LEU HD12 H 1 0.289 0.05 . 2 . . . . 24 Leu HD1 . 16313 1 153 . 1 1 24 24 LEU HD13 H 1 0.289 0.05 . 2 . . . . 24 Leu HD1 . 16313 1 154 . 1 1 24 24 LEU HD21 H 1 0.698 0.05 . 2 . . . . 24 Leu HD2 . 16313 1 155 . 1 1 24 24 LEU HD22 H 1 0.698 0.05 . 2 . . . . 24 Leu HD2 . 16313 1 156 . 1 1 24 24 LEU HD23 H 1 0.698 0.05 . 2 . . . . 24 Leu HD2 . 16313 1 157 . 1 1 24 24 LEU C C 13 176.81 0.5 . 1 . . . . 24 Leu C . 16313 1 158 . 1 1 24 24 LEU CA C 13 53.38 0.5 . 1 . . . . 24 Leu CA . 16313 1 159 . 1 1 24 24 LEU CB C 13 41.63 0.5 . 1 . . . . 24 Leu CB . 16313 1 160 . 1 1 24 24 LEU CD1 C 13 25.2 0.5 . 1 . . . . 24 Leu CD1 . 16313 1 161 . 1 1 24 24 LEU CD2 C 13 23.04 0.5 . 1 . . . . 24 Leu CD2 . 16313 1 162 . 1 1 24 24 LEU N N 15 122.870 0.5 . 1 . . . . 24 Leu N . 16313 1 163 . 1 1 25 25 LYS H H 1 8.491 0.05 . 1 . . . . 25 Lys H . 16313 1 164 . 1 1 25 25 LYS HA H 1 4.196 0.05 . 1 . . . . 25 Lys HA . 16313 1 165 . 1 1 25 25 LYS HB2 H 1 1.931 0.05 . 1 . . . . 25 Lys HB2 . 16313 1 166 . 1 1 25 25 LYS HB3 H 1 1.931 0.05 . 1 . . . . 25 Lys HB3 . 16313 1 167 . 1 1 25 25 LYS HD2 H 1 1.745 0.05 . 1 . . . . 25 Lys HD2 . 16313 1 168 . 1 1 25 25 LYS HD3 H 1 1.745 0.05 . 1 . . . . 25 Lys HD3 . 16313 1 169 . 1 1 25 25 LYS HG2 H 1 1.567 0.05 . 1 . . . . 25 Lys HG2 . 16313 1 170 . 1 1 25 25 LYS HG3 H 1 1.567 0.05 . 1 . . . . 25 Lys HG3 . 16313 1 171 . 1 1 25 25 LYS C C 13 177.53 0.5 . 1 . . . . 25 Lys C . 16313 1 172 . 1 1 25 25 LYS CA C 13 59.27 0.5 . 1 . . . . 25 Lys CA . 16313 1 173 . 1 1 25 25 LYS CB C 13 32.3 0.5 . 1 . . . . 25 Lys CB . 16313 1 174 . 1 1 25 25 LYS CD C 13 29.03 0.5 . 1 . . . . 25 Lys CD . 16313 1 175 . 1 1 25 25 LYS CE C 13 42.104 0.5 . 1 . . . . 25 Lys CE . 16313 1 176 . 1 1 25 25 LYS CG C 13 25.17 0.5 . 1 . . . . 25 Lys CG . 16313 1 177 . 1 1 25 25 LYS N N 15 124.310 0.5 . 1 . . . . 25 Lys N . 16313 1 178 . 1 1 26 26 SER H H 1 8.512 0.05 . 1 . . . . 26 Ser H . 16313 1 179 . 1 1 26 26 SER HA H 1 4.513 0.05 . 1 . . . . 26 Ser HA . 16313 1 180 . 1 1 26 26 SER HB2 H 1 4.022 0.05 . 1 . . . . 26 Ser HB2 . 16313 1 181 . 1 1 26 26 SER HB3 H 1 3.938 0.05 . 1 . . . . 26 Ser HB3 . 16313 1 182 . 1 1 26 26 SER C C 13 174.09 0.5 . 1 . . . . 26 Ser C . 16313 1 183 . 1 1 26 26 SER CA C 13 58.2 0.5 . 1 . . . . 26 Ser CA . 16313 1 184 . 1 1 26 26 SER CB C 13 63.487 0.5 . 1 . . . . 26 Ser CB . 16313 1 185 . 1 1 26 26 SER N N 15 111.482 0.5 . 1 . . . . 26 Ser N . 16313 1 186 . 1 1 27 27 PHE H H 1 7.723 0.05 . 1 . . . . 27 Phe H . 16313 1 187 . 1 1 27 27 PHE HA H 1 4.463 0.05 . 1 . . . . 27 Phe HA . 16313 1 188 . 1 1 27 27 PHE HB2 H 1 3.200 0.05 . 2 . . . . 27 Phe HB2 . 16313 1 189 . 1 1 27 27 PHE HB3 H 1 3.107 0.05 . 2 . . . . 27 Phe HB3 . 16313 1 190 . 1 1 27 27 PHE HD1 H 1 7.15 0.05 . 3 . . . . 27 Phe HD1 . 16313 1 191 . 1 1 27 27 PHE HD2 H 1 7.15 0.05 . 3 . . . . 27 Phe HD2 . 16313 1 192 . 1 1 27 27 PHE HE1 H 1 7.07 0.05 . 3 . . . . 27 Phe HE1 . 16313 1 193 . 1 1 27 27 PHE HE2 H 1 7.07 0.05 . 3 . . . . 27 Phe HE2 . 16313 1 194 . 1 1 27 27 PHE C C 13 175.27 0.5 . 1 . . . . 27 Phe C . 16313 1 195 . 1 1 27 27 PHE CA C 13 59.29 0.5 . 1 . . . . 27 Phe CA . 16313 1 196 . 1 1 27 27 PHE CB C 13 40.44 0.5 . 1 . . . . 27 Phe CB . 16313 1 197 . 1 1 27 27 PHE CD1 C 13 131.6 0.5 . 3 . . . . 27 Phe CD1 . 16313 1 198 . 1 1 27 27 PHE CD2 C 13 131.6 0.5 . 3 . . . . 27 Phe CD2 . 16313 1 199 . 1 1 27 27 PHE CE1 C 13 130.5 0.5 . 3 . . . . 27 Phe CE1 . 16313 1 200 . 1 1 27 27 PHE CE2 C 13 130.5 0.5 . 3 . . . . 27 Phe CE2 . 16313 1 201 . 1 1 27 27 PHE N N 15 123.451 0.5 . 1 . . . . 27 Phe N . 16313 1 202 . 1 1 28 28 SER H H 1 7.702 0.05 . 1 . . . . 28 Ser H . 16313 1 203 . 1 1 28 28 SER HA H 1 4.63 0.05 . 1 . . . . 28 Ser HA . 16313 1 204 . 1 1 28 28 SER HB2 H 1 3.749 0.05 . 1 . . . . 28 Ser HB2 . 16313 1 205 . 1 1 28 28 SER HB3 H 1 3.749 0.05 . 1 . . . . 28 Ser HB3 . 16313 1 206 . 1 1 28 28 SER C C 13 172.06 0.5 . 1 . . . . 28 Ser C . 16313 1 207 . 1 1 28 28 SER CA C 13 57.7 0.5 . 1 . . . . 28 Ser CA . 16313 1 208 . 1 1 28 28 SER CB C 13 64.6 0.5 . 1 . . . . 28 Ser CB . 16313 1 209 . 1 1 28 28 SER N N 15 123.039 0.5 . 1 . . . . 28 Ser N . 16313 1 210 . 1 1 29 29 ALA H H 1 8.154 0.05 . 1 . . . . 29 Ala H . 16313 1 211 . 1 1 29 29 ALA HA H 1 4.655 0.05 . 1 . . . . 29 Ala HA . 16313 1 212 . 1 1 29 29 ALA HB1 H 1 1.267 0.05 . 1 . . . . 29 Ala HB . 16313 1 213 . 1 1 29 29 ALA HB2 H 1 1.267 0.05 . 1 . . . . 29 Ala HB . 16313 1 214 . 1 1 29 29 ALA HB3 H 1 1.267 0.05 . 1 . . . . 29 Ala HB . 16313 1 215 . 1 1 29 29 ALA C C 13 174.09 0.5 . 1 . . . . 29 Ala C . 16313 1 216 . 1 1 29 29 ALA CA C 13 51.3 0.5 . 1 . . . . 29 Ala CA . 16313 1 217 . 1 1 29 29 ALA CB C 13 22.900 0.5 . 1 . . . . 29 Ala CB . 16313 1 218 . 1 1 29 29 ALA N N 15 124.7 0.5 . 1 . . . . 29 Ala N . 16313 1 219 . 1 1 30 30 ASP H H 1 8.395 0.05 . 1 . . . . 30 Asp H . 16313 1 220 . 1 1 30 30 ASP HA H 1 5.532 0.05 . 1 . . . . 30 Asp HA . 16313 1 221 . 1 1 30 30 ASP HB2 H 1 2.69 0.05 . 1 . . . . 30 Asp HB2 . 16313 1 222 . 1 1 30 30 ASP HB3 H 1 2.418 0.05 . 1 . . . . 30 Asp HB3 . 16313 1 223 . 1 1 30 30 ASP C C 13 174.32 0.5 . 1 . . . . 30 Asp C . 16313 1 224 . 1 1 30 30 ASP CA C 13 53.870 0.5 . 1 . . . . 30 Asp CA . 16313 1 225 . 1 1 30 30 ASP CB C 13 44.420 0.5 . 1 . . . . 30 Asp CB . 16313 1 226 . 1 1 30 30 ASP N N 15 117.9 0.5 . 1 . . . . 30 Asp N . 16313 1 227 . 1 1 31 31 ALA H H 1 8.866 0.05 . 1 . . . . 31 Ala H . 16313 1 228 . 1 1 31 31 ALA HA H 1 4.554 0.05 . 1 . . . . 31 Ala HA . 16313 1 229 . 1 1 31 31 ALA HB1 H 1 1.00 0.05 . 1 . . . . 31 Ala HB . 16313 1 230 . 1 1 31 31 ALA HB2 H 1 1.00 0.05 . 1 . . . . 31 Ala HB . 16313 1 231 . 1 1 31 31 ALA HB3 H 1 1.00 0.05 . 1 . . . . 31 Ala HB . 16313 1 232 . 1 1 31 31 ALA C C 13 174.24 0.5 . 1 . . . . 31 Ala C . 16313 1 233 . 1 1 31 31 ALA CA C 13 51.71 0.5 . 1 . . . . 31 Ala CA . 16313 1 234 . 1 1 31 31 ALA CB C 13 22.71 0.5 . 1 . . . . 31 Ala CB . 16313 1 235 . 1 1 31 31 ALA N N 15 121.463 0.5 . 1 . . . . 31 Ala N . 16313 1 236 . 1 1 32 32 ARG H H 1 8.056 0.05 . 1 . . . . 32 Arg H . 16313 1 237 . 1 1 32 32 ARG HA H 1 5.232 0.05 . 1 . . . . 32 Arg HA . 16313 1 238 . 1 1 32 32 ARG HB2 H 1 1.467 0.05 . 2 . . . . 32 Arg HB2 . 16313 1 239 . 1 1 32 32 ARG HB3 H 1 1.467 0.05 . 2 . . . . 32 Arg HB3 . 16313 1 240 . 1 1 32 32 ARG HD2 H 1 2.999 0.05 . 2 . . . . 32 Arg HD2 . 16313 1 241 . 1 1 32 32 ARG HD3 H 1 3.042 0.05 . 2 . . . . 32 Arg HD3 . 16313 1 242 . 1 1 32 32 ARG HG2 H 1 1.15 0.05 . 2 . . . . 32 Arg HG2 . 16313 1 243 . 1 1 32 32 ARG HG3 H 1 1.15 0.05 . 2 . . . . 32 Arg HG3 . 16313 1 244 . 1 1 32 32 ARG C C 13 175.61 0.5 . 1 . . . . 32 Arg C . 16313 1 245 . 1 1 32 32 ARG CA C 13 54.78 0.5 . 1 . . . . 32 Arg CA . 16313 1 246 . 1 1 32 32 ARG CB C 13 31.84 0.5 . 1 . . . . 32 Arg CB . 16313 1 247 . 1 1 32 32 ARG CD C 13 43.12 0.5 . 1 . . . . 32 Arg CD . 16313 1 248 . 1 1 32 32 ARG CG C 13 28.610 0.5 . 1 . . . . 32 Arg CG . 16313 1 249 . 1 1 32 32 ARG N N 15 119.065 0.5 . 1 . . . . 32 Arg N . 16313 1 250 . 1 1 33 33 PHE H H 1 8.787 0.05 . 1 . . . . 33 Phe H . 16313 1 251 . 1 1 33 33 PHE HA H 1 4.9 0.05 . 1 . . . . 33 Phe HA . 16313 1 252 . 1 1 33 33 PHE HB2 H 1 3.05 0.05 . 2 . . . . 33 Phe HB2 . 16313 1 253 . 1 1 33 33 PHE HB3 H 1 2.37 0.05 . 2 . . . . 33 Phe HB3 . 16313 1 254 . 1 1 33 33 PHE HD1 H 1 7.26 0.05 . 3 . . . . 33 Phe HD1 . 16313 1 255 . 1 1 33 33 PHE HD2 H 1 7.26 0.05 . 3 . . . . 33 Phe HD2 . 16313 1 256 . 1 1 33 33 PHE HE1 H 1 6.79 0.05 . 3 . . . . 33 Phe HE1 . 16313 1 257 . 1 1 33 33 PHE HE2 H 1 6.79 0.05 . 3 . . . . 33 Phe HE2 . 16313 1 258 . 1 1 33 33 PHE C C 13 175.05 0.5 . 1 . . . . 33 Phe C . 16313 1 259 . 1 1 33 33 PHE CA C 13 55.79 0.5 . 1 . . . . 33 Phe CA . 16313 1 260 . 1 1 33 33 PHE CB C 13 43.3 0.5 . 1 . . . . 33 Phe CB . 16313 1 261 . 1 1 33 33 PHE CD1 C 13 132.0 0.5 . 3 . . . . 33 Phe CD1 . 16313 1 262 . 1 1 33 33 PHE CD2 C 13 132.0 0.5 . 3 . . . . 33 Phe CD2 . 16313 1 263 . 1 1 33 33 PHE CE1 C 13 128.1 0.5 . 3 . . . . 33 Phe CE1 . 16313 1 264 . 1 1 33 33 PHE CE2 C 13 128.1 0.5 . 3 . . . . 33 Phe CE2 . 16313 1 265 . 1 1 33 33 PHE N N 15 119.356 0.5 . 1 . . . . 33 Phe N . 16313 1 266 . 1 1 34 34 SER H H 1 8.361 0.05 . 1 . . . . 34 Ser H . 16313 1 267 . 1 1 34 34 SER HA H 1 4.91 0.05 . 1 . . . . 34 Ser HA . 16313 1 268 . 1 1 34 34 SER CA C 13 55.27 0.5 . 1 . . . . 34 Ser CA . 16313 1 269 . 1 1 34 34 SER CB C 13 64.31 0.5 . 1 . . . . 34 Ser CB . 16313 1 270 . 1 1 34 34 SER N N 15 118 0.5 . 1 . . . . 34 Ser N . 16313 1 271 . 1 1 35 35 PRO HA H 1 4.183 0.05 . 1 . . . . 35 Pro HA . 16313 1 272 . 1 1 35 35 PRO HB2 H 1 2.136 0.05 . 2 . . . . 35 Pro HB2 . 16313 1 273 . 1 1 35 35 PRO HB3 H 1 2.05 0.05 . 2 . . . . 35 Pro HB3 . 16313 1 274 . 1 1 35 35 PRO HD2 H 1 3.873 0.05 . 2 . . . . 35 Pro HD2 . 16313 1 275 . 1 1 35 35 PRO HD3 H 1 3.873 0.05 . 2 . . . . 35 Pro HD3 . 16313 1 276 . 1 1 35 35 PRO HG2 H 1 1.915 0.05 . 2 . . . . 35 Pro HG2 . 16313 1 277 . 1 1 35 35 PRO HG3 H 1 2.073 0.05 . 2 . . . . 35 Pro HG3 . 16313 1 278 . 1 1 35 35 PRO C C 13 176.46 0.5 . 1 . . . . 35 Pro C . 16313 1 279 . 1 1 35 35 PRO CA C 13 64.12 0.5 . 1 . . . . 35 Pro CA . 16313 1 280 . 1 1 35 35 PRO CB C 13 32.14 0.5 . 1 . . . . 35 Pro CB . 16313 1 281 . 1 1 35 35 PRO CD C 13 51.65 0.5 . 1 . . . . 35 Pro CD . 16313 1 282 . 1 1 35 35 PRO CG C 13 27.95 0.5 . 1 . . . . 35 Pro CG . 16313 1 283 . 1 1 36 36 GLN H H 1 8.013 0.05 . 1 . . . . 36 Gln H . 16313 1 284 . 1 1 36 36 GLN HA H 1 4.278 0.05 . 1 . . . . 36 Gln HA . 16313 1 285 . 1 1 36 36 GLN HB2 H 1 2.257 0.05 . 1 . . . . 36 Gln HB2 . 16313 1 286 . 1 1 36 36 GLN HB3 H 1 1.893 0.05 . 1 . . . . 36 Gln HB3 . 16313 1 287 . 1 1 36 36 GLN HE21 H 1 7.668 0.05 . 2 . . . . 36 Gln HE21 . 16313 1 288 . 1 1 36 36 GLN HE22 H 1 6.97 0.05 . 2 . . . . 36 Gln HE22 . 16313 1 289 . 1 1 36 36 GLN HG2 H 1 2.371 0.05 . 1 . . . . 36 Gln HG2 . 16313 1 290 . 1 1 36 36 GLN HG3 H 1 2.371 0.05 . 1 . . . . 36 Gln HG3 . 16313 1 291 . 1 1 36 36 GLN C C 13 176.63 0.5 . 1 . . . . 36 Gln C . 16313 1 292 . 1 1 36 36 GLN CA C 13 56.6 0.5 . 1 . . . . 36 Gln CA . 16313 1 293 . 1 1 36 36 GLN CB C 13 29.38 0.5 . 1 . . . . 36 Gln CB . 16313 1 294 . 1 1 36 36 GLN CG C 13 34.63 0.5 . 1 . . . . 36 Gln CG . 16313 1 295 . 1 1 36 36 GLN N N 15 114.7 0.5 . 1 . . . . 36 Gln N . 16313 1 296 . 1 1 36 36 GLN NE2 N 15 112.8 0.5 . 1 . . . . 36 Gln NE2 . 16313 1 297 . 1 1 37 37 MET H H 1 7.628 0.05 . 1 . . . . 37 Met H . 16313 1 298 . 1 1 37 37 MET HA H 1 4.314 0.05 . 1 . . . . 37 Met HA . 16313 1 299 . 1 1 37 37 MET HB2 H 1 2.308 0.05 . 1 . . . . 37 Met HB2 . 16313 1 300 . 1 1 37 37 MET HB3 H 1 2.085 0.05 . 1 . . . . 37 Met HB3 . 16313 1 301 . 1 1 37 37 MET HG2 H 1 3.039 0.05 . 1 . . . . 37 Met HG2 . 16313 1 302 . 1 1 37 37 MET HG3 H 1 2.647 0.05 . 1 . . . . 37 Met HG3 . 16313 1 303 . 1 1 37 37 MET C C 13 174.48 0.5 . 1 . . . . 37 Met C . 16313 1 304 . 1 1 37 37 MET CA C 13 56.26 0.5 . 1 . . . . 37 Met CA . 16313 1 305 . 1 1 37 37 MET CB C 13 34.89 0.5 . 1 . . . . 37 Met CB . 16313 1 306 . 1 1 37 37 MET CG C 13 31.95 0.5 . 1 . . . . 37 Met CG . 16313 1 307 . 1 1 37 37 MET N N 15 120.895 0.5 . 1 . . . . 37 Met N . 16313 1 308 . 1 1 38 38 SER H H 1 8.74 0.05 . 1 . . . . 38 Ser H . 16313 1 309 . 1 1 38 38 SER HA H 1 4.650 0.05 . 1 . . . . 38 Ser HA . 16313 1 310 . 1 1 38 38 SER HB2 H 1 4.071 0.05 . 2 . . . . 38 Ser HB2 . 16313 1 311 . 1 1 38 38 SER HB3 H 1 4.309 0.05 . 2 . . . . 38 Ser HB3 . 16313 1 312 . 1 1 38 38 SER C C 13 175.32 0.5 . 1 . . . . 38 Ser C . 16313 1 313 . 1 1 38 38 SER CA C 13 57.555 0.5 . 1 . . . . 38 Ser CA . 16313 1 314 . 1 1 38 38 SER CB C 13 64.80 0.5 . 1 . . . . 38 Ser CB . 16313 1 315 . 1 1 38 38 SER N N 15 119.8 0.5 . 1 . . . . 38 Ser N . 16313 1 316 . 1 1 39 39 VAL H H 1 8.619 0.05 . 1 . . . . 39 Val H . 16313 1 317 . 1 1 39 39 VAL HA H 1 3.405 0.05 . 1 . . . . 39 Val HA . 16313 1 318 . 1 1 39 39 VAL HB H 1 2.427 0.05 . 1 . . . . 39 Val HB . 16313 1 319 . 1 1 39 39 VAL HG11 H 1 1.09 0.05 . 2 . . . . 39 Val HG1 . 16313 1 320 . 1 1 39 39 VAL HG12 H 1 1.09 0.05 . 2 . . . . 39 Val HG1 . 16313 1 321 . 1 1 39 39 VAL HG13 H 1 1.09 0.05 . 2 . . . . 39 Val HG1 . 16313 1 322 . 1 1 39 39 VAL HG21 H 1 0.885 0.05 . 2 . . . . 39 Val HG2 . 16313 1 323 . 1 1 39 39 VAL HG22 H 1 0.885 0.05 . 2 . . . . 39 Val HG2 . 16313 1 324 . 1 1 39 39 VAL HG23 H 1 0.885 0.05 . 2 . . . . 39 Val HG2 . 16313 1 325 . 1 1 39 39 VAL C C 13 177.95 0.5 . 1 . . . . 39 Val C . 16313 1 326 . 1 1 39 39 VAL CA C 13 68.01 0.5 . 1 . . . . 39 Val CA . 16313 1 327 . 1 1 39 39 VAL CB C 13 31.83 0.5 . 1 . . . . 39 Val CB . 16313 1 328 . 1 1 39 39 VAL CG1 C 13 25.14 0.5 . 2 . . . . 39 Val CG1 . 16313 1 329 . 1 1 39 39 VAL CG2 C 13 22.0 0.5 . 2 . . . . 39 Val CG2 . 16313 1 330 . 1 1 39 39 VAL N N 15 122.324 0.5 . 1 . . . . 39 Val N . 16313 1 331 . 1 1 40 40 GLU H H 1 8.737 0.05 . 1 . . . . 40 Glu H . 16313 1 332 . 1 1 40 40 GLU HA H 1 3.743 0.05 . 1 . . . . 40 Glu HA . 16313 1 333 . 1 1 40 40 GLU HB2 H 1 2.068 0.05 . 2 . . . . 40 Glu HB2 . 16313 1 334 . 1 1 40 40 GLU HB3 H 1 2.025 0.05 . 2 . . . . 40 Glu HB3 . 16313 1 335 . 1 1 40 40 GLU HG2 H 1 2.206 0.05 . 2 . . . . 40 Glu HG2 . 16313 1 336 . 1 1 40 40 GLU HG3 H 1 2.206 0.05 . 2 . . . . 40 Glu HG3 . 16313 1 337 . 1 1 40 40 GLU C C 13 177.45 0.5 . 1 . . . . 40 Glu C . 16313 1 338 . 1 1 40 40 GLU CA C 13 60.57 0.5 . 1 . . . . 40 Glu CA . 16313 1 339 . 1 1 40 40 GLU CB C 13 30.0 0.5 . 1 . . . . 40 Glu CB . 16313 1 340 . 1 1 40 40 GLU CG C 13 35.84 0.5 . 1 . . . . 40 Glu CG . 16313 1 341 . 1 1 40 40 GLU N N 15 120.358 0.5 . 1 . . . . 40 Glu N . 16313 1 342 . 1 1 41 41 ALA H H 1 8.056 0.05 . 1 . . . . 41 Ala H . 16313 1 343 . 1 1 41 41 ALA HA H 1 4.275 0.05 . 1 . . . . 41 Ala HA . 16313 1 344 . 1 1 41 41 ALA HB1 H 1 1.638 0.05 . 1 . . . . 41 Ala HB . 16313 1 345 . 1 1 41 41 ALA HB2 H 1 1.638 0.05 . 1 . . . . 41 Ala HB . 16313 1 346 . 1 1 41 41 ALA HB3 H 1 1.638 0.05 . 1 . . . . 41 Ala HB . 16313 1 347 . 1 1 41 41 ALA C C 13 181.56 0.5 . 1 . . . . 41 Ala C . 16313 1 348 . 1 1 41 41 ALA CA C 13 55.08 0.5 . 1 . . . . 41 Ala CA . 16313 1 349 . 1 1 41 41 ALA CB C 13 18.57 0.5 . 1 . . . . 41 Ala CB . 16313 1 350 . 1 1 41 41 ALA N N 15 123.045 0.5 . 1 . . . . 41 Ala N . 16313 1 351 . 1 1 42 42 VAL H H 1 8.519 0.05 . 1 . . . . 42 Val H . 16313 1 352 . 1 1 42 42 VAL HA H 1 3.456 0.05 . 1 . . . . 42 Val HA . 16313 1 353 . 1 1 42 42 VAL HB H 1 2.376 0.05 . 1 . . . . 42 Val HB . 16313 1 354 . 1 1 42 42 VAL HG11 H 1 0.912 0.05 . 2 . . . . 42 Val HG1 . 16313 1 355 . 1 1 42 42 VAL HG12 H 1 0.912 0.05 . 2 . . . . 42 Val HG1 . 16313 1 356 . 1 1 42 42 VAL HG13 H 1 0.912 0.05 . 2 . . . . 42 Val HG1 . 16313 1 357 . 1 1 42 42 VAL HG21 H 1 0.531 0.05 . 2 . . . . 42 Val HG2 . 16313 1 358 . 1 1 42 42 VAL HG22 H 1 0.531 0.05 . 2 . . . . 42 Val HG2 . 16313 1 359 . 1 1 42 42 VAL HG23 H 1 0.531 0.05 . 2 . . . . 42 Val HG2 . 16313 1 360 . 1 1 42 42 VAL C C 13 177.95 0.5 . 1 . . . . 42 Val C . 16313 1 361 . 1 1 42 42 VAL CA C 13 67.44 0.5 . 1 . . . . 42 Val CA . 16313 1 362 . 1 1 42 42 VAL CB C 13 31.37 0.5 . 1 . . . . 42 Val CB . 16313 1 363 . 1 1 42 42 VAL CG1 C 13 23.54 0.5 . 2 . . . . 42 Val CG1 . 16313 1 364 . 1 1 42 42 VAL CG2 C 13 21.84 0.5 . 2 . . . . 42 Val CG2 . 16313 1 365 . 1 1 42 42 VAL N N 15 122.576 0.5 . 1 . . . . 42 Val N . 16313 1 366 . 1 1 43 43 LYS H H 1 8.660 0.05 . 1 . . . . 43 Lys H . 16313 1 367 . 1 1 43 43 LYS HA H 1 3.905 0.05 . 1 . . . . 43 Lys HA . 16313 1 368 . 1 1 43 43 LYS HB2 H 1 2.195 0.05 . 2 . . . . 43 Lys HB2 . 16313 1 369 . 1 1 43 43 LYS HB3 H 1 1.904 0.05 . 2 . . . . 43 Lys HB3 . 16313 1 370 . 1 1 43 43 LYS HD2 H 1 1.693 0.05 . 2 . . . . 43 Lys HD2 . 16313 1 371 . 1 1 43 43 LYS HD3 H 1 1.66 0.05 . 2 . . . . 43 Lys HD3 . 16313 1 372 . 1 1 43 43 LYS HG2 H 1 1.717 0.05 . 2 . . . . 43 Lys HG2 . 16313 1 373 . 1 1 43 43 LYS HG3 H 1 1.257 0.05 . 2 . . . . 43 Lys HG3 . 16313 1 374 . 1 1 43 43 LYS C C 13 178.49 0.5 . 1 . . . . 43 Lys C . 16313 1 375 . 1 1 43 43 LYS CA C 13 61.08 0.5 . 1 . . . . 43 Lys CA . 16313 1 376 . 1 1 43 43 LYS CB C 13 33.45 0.5 . 1 . . . . 43 Lys CB . 16313 1 377 . 1 1 43 43 LYS CD C 13 30.59 0.5 . 1 . . . . 43 Lys CD . 16313 1 378 . 1 1 43 43 LYS CE C 13 42.32 0.5 . 1 . . . . 43 Lys CE . 16313 1 379 . 1 1 43 43 LYS CG C 13 27.63 0.5 . 1 . . . . 43 Lys CG . 16313 1 380 . 1 1 43 43 LYS N N 15 118.752 0.5 . 1 . . . . 43 Lys N . 16313 1 381 . 1 1 44 44 GLU H H 1 8.109 0.05 . 1 . . . . 44 Glu H . 16313 1 382 . 1 1 44 44 GLU HA H 1 4.1 0.05 . 1 . . . . 44 Glu HA . 16313 1 383 . 1 1 44 44 GLU HB2 H 1 2.283 0.05 . 2 . . . . 44 Glu HB2 . 16313 1 384 . 1 1 44 44 GLU HB3 H 1 2.283 0.05 . 2 . . . . 44 Glu HB3 . 16313 1 385 . 1 1 44 44 GLU HG2 H 1 2.592 0.05 . 2 . . . . 44 Glu HG2 . 16313 1 386 . 1 1 44 44 GLU HG3 H 1 2.407 0.05 . 2 . . . . 44 Glu HG3 . 16313 1 387 . 1 1 44 44 GLU C C 13 178.76 0.5 . 1 . . . . 44 Glu C . 16313 1 388 . 1 1 44 44 GLU CA C 13 60.56 0.5 . 1 . . . . 44 Glu CA . 16313 1 389 . 1 1 44 44 GLU CB C 13 29.7 0.5 . 1 . . . . 44 Glu CB . 16313 1 390 . 1 1 44 44 GLU CG C 13 36.72 0.5 . 1 . . . . 44 Glu CG . 16313 1 391 . 1 1 44 44 GLU N N 15 118.904 0.5 . 1 . . . . 44 Glu N . 16313 1 392 . 1 1 45 45 LYS H H 1 7.868 0.05 . 1 . . . . 45 Lys H . 16313 1 393 . 1 1 45 45 LYS HA H 1 4.147 0.05 . 1 . . . . 45 Lys HA . 16313 1 394 . 1 1 45 45 LYS HB2 H 1 2.21 0.05 . 2 . . . . 45 Lys HB2 . 16313 1 395 . 1 1 45 45 LYS HB3 H 1 2.143 0.05 . 2 . . . . 45 Lys HB3 . 16313 1 396 . 1 1 45 45 LYS HD2 H 1 1.726 0.05 . 2 . . . . 45 Lys HD2 . 16313 1 397 . 1 1 45 45 LYS HD3 H 1 1.726 0.05 . 2 . . . . 45 Lys HD3 . 16313 1 398 . 1 1 45 45 LYS HG2 H 1 1.717 0.05 . 2 . . . . 45 Lys HG2 . 16313 1 399 . 1 1 45 45 LYS HG3 H 1 1.717 0.05 . 2 . . . . 45 Lys HG3 . 16313 1 400 . 1 1 45 45 LYS C C 13 180.02 0.5 . 1 . . . . 45 Lys C . 16313 1 401 . 1 1 45 45 LYS CA C 13 59.21 0.5 . 1 . . . . 45 Lys CA . 16313 1 402 . 1 1 45 45 LYS CB C 13 32.54 0.5 . 1 . . . . 45 Lys CB . 16313 1 403 . 1 1 45 45 LYS CD C 13 29.42 0.5 . 1 . . . . 45 Lys CD . 16313 1 404 . 1 1 45 45 LYS CE C 13 42.017 0.5 . 1 . . . . 45 Lys CE . 16313 1 405 . 1 1 45 45 LYS CG C 13 25.3 0.5 . 1 . . . . 45 Lys CG . 16313 1 406 . 1 1 45 45 LYS N N 15 118.353 0.5 . 1 . . . . 45 Lys N . 16313 1 407 . 1 1 46 46 LEU H H 1 8.538 0.05 . 1 . . . . 46 Leu H . 16313 1 408 . 1 1 46 46 LEU HA H 1 4.147 0.05 . 1 . . . . 46 Leu HA . 16313 1 409 . 1 1 46 46 LEU HB2 H 1 1.394 0.05 . 2 . . . . 46 Leu HB2 . 16313 1 410 . 1 1 46 46 LEU HB3 H 1 1.394 0.05 . 2 . . . . 46 Leu HB3 . 16313 1 411 . 1 1 46 46 LEU HD11 H 1 1.008 0.05 . 2 . . . . 46 Leu HD1 . 16313 1 412 . 1 1 46 46 LEU HD12 H 1 1.008 0.05 . 2 . . . . 46 Leu HD1 . 16313 1 413 . 1 1 46 46 LEU HD13 H 1 1.008 0.05 . 2 . . . . 46 Leu HD1 . 16313 1 414 . 1 1 46 46 LEU HD21 H 1 1.008 0.05 . 2 . . . . 46 Leu HD2 . 16313 1 415 . 1 1 46 46 LEU HD22 H 1 1.008 0.05 . 2 . . . . 46 Leu HD2 . 16313 1 416 . 1 1 46 46 LEU HD23 H 1 1.008 0.05 . 2 . . . . 46 Leu HD2 . 16313 1 417 . 1 1 46 46 LEU HG H 1 0.888 0.05 . 1 . . . . 46 Leu HG . 16313 1 418 . 1 1 46 46 LEU C C 13 179.95 0.5 . 1 . . . . 46 Leu C . 16313 1 419 . 1 1 46 46 LEU CA C 13 57.90 0.5 . 1 . . . . 46 Leu CA . 16313 1 420 . 1 1 46 46 LEU CB C 13 40.8 0.5 . 1 . . . . 46 Leu CB . 16313 1 421 . 1 1 46 46 LEU CD1 C 13 23.12 0.5 . 2 . . . . 46 Leu CD1 . 16313 1 422 . 1 1 46 46 LEU CD2 C 13 23.12 0.5 . 2 . . . . 46 Leu CD2 . 16313 1 423 . 1 1 46 46 LEU CG C 13 27.22 0.5 . 1 . . . . 46 Leu CG . 16313 1 424 . 1 1 46 46 LEU N N 15 118.568 0.5 . 1 . . . . 46 Leu N . 16313 1 425 . 1 1 47 47 TRP H H 1 9.308 0.05 . 1 . . . . 47 Trp H . 16313 1 426 . 1 1 47 47 TRP HA H 1 4.636 0.05 . 1 . . . . 47 Trp HA . 16313 1 427 . 1 1 47 47 TRP HB2 H 1 3.628 0.05 . 2 . . . . 47 Trp HB2 . 16313 1 428 . 1 1 47 47 TRP HB3 H 1 3.628 0.05 . 2 . . . . 47 Trp HB3 . 16313 1 429 . 1 1 47 47 TRP HD1 H 1 6.92 0.05 . 1 . . . . 47 Trp HD1 . 16313 1 430 . 1 1 47 47 TRP HE1 H 1 10.18 0.05 . 1 . . . . 47 Trp HE1 . 16313 1 431 . 1 1 47 47 TRP HE3 H 1 7.78 0.05 . 1 . . . . 47 Trp HE3 . 16313 1 432 . 1 1 47 47 TRP HH2 H 1 7.144 0.05 . 1 . . . . 47 Trp HH2 . 16313 1 433 . 1 1 47 47 TRP HZ2 H 1 7.47 0.05 . 1 . . . . 47 Trp HZ2 . 16313 1 434 . 1 1 47 47 TRP HZ3 H 1 7.19 0.05 . 1 . . . . 47 Trp HZ3 . 16313 1 435 . 1 1 47 47 TRP C C 13 179.04 0.5 . 1 . . . . 47 Trp C . 16313 1 436 . 1 1 47 47 TRP CA C 13 60.312 0.5 . 1 . . . . 47 Trp CA . 16313 1 437 . 1 1 47 47 TRP CB C 13 28.08 0.5 . 1 . . . . 47 Trp CB . 16313 1 438 . 1 1 47 47 TRP CD1 C 13 127.9 0.5 . 1 . . . . 47 Trp CD1 . 16313 1 439 . 1 1 47 47 TRP CE3 C 13 121.5 0.5 . 1 . . . . 47 Trp CE3 . 16313 1 440 . 1 1 47 47 TRP CH2 C 13 121.7 0.5 . 1 . . . . 47 Trp CH2 . 16313 1 441 . 1 1 47 47 TRP CZ2 C 13 114.3 0.5 . 1 . . . . 47 Trp CZ2 . 16313 1 442 . 1 1 47 47 TRP CZ3 C 13 124.1 0.5 . 1 . . . . 47 Trp CZ3 . 16313 1 443 . 1 1 47 47 TRP N N 15 127.808 0.5 . 1 . . . . 47 Trp N . 16313 1 444 . 1 1 47 47 TRP NE1 N 15 130.1 0.5 . 1 . . . . 47 Trp NE1 . 16313 1 445 . 1 1 48 48 LYS H H 1 7.362 0.05 . 1 . . . . 48 Lys H . 16313 1 446 . 1 1 48 48 LYS HA H 1 3.238 0.05 . 1 . . . . 48 Lys HA . 16313 1 447 . 1 1 48 48 LYS HB2 H 1 1.807 0.05 . 2 . . . . 48 Lys HB2 . 16313 1 448 . 1 1 48 48 LYS HB3 H 1 1.737 0.05 . 2 . . . . 48 Lys HB3 . 16313 1 449 . 1 1 48 48 LYS HD2 H 1 1.45 0.05 . 2 . . . . 48 Lys HD2 . 16313 1 450 . 1 1 48 48 LYS HD3 H 1 1.45 0.05 . 2 . . . . 48 Lys HD3 . 16313 1 451 . 1 1 48 48 LYS HG2 H 1 1.47 0.05 . 2 . . . . 48 Lys HG2 . 16313 1 452 . 1 1 48 48 LYS HG3 H 1 1.47 0.05 . 2 . . . . 48 Lys HG3 . 16313 1 453 . 1 1 48 48 LYS C C 13 177.66 0.5 . 1 . . . . 48 Lys C . 16313 1 454 . 1 1 48 48 LYS CA C 13 58.36 0.5 . 1 . . . . 48 Lys CA . 16313 1 455 . 1 1 48 48 LYS CB C 13 32.09 0.5 . 1 . . . . 48 Lys CB . 16313 1 456 . 1 1 48 48 LYS CD C 13 28.69 0.5 . 1 . . . . 48 Lys CD . 16313 1 457 . 1 1 48 48 LYS CE C 13 41.963 0.5 . 1 . . . . 48 Lys CE . 16313 1 458 . 1 1 48 48 LYS CG C 13 25.36 0.5 . 1 . . . . 48 Lys CG . 16313 1 459 . 1 1 48 48 LYS N N 15 118.583 0.5 . 1 . . . . 48 Lys N . 16313 1 460 . 1 1 49 49 LYS H H 1 7.339 0.05 . 1 . . . . 49 Lys H . 16313 1 461 . 1 1 49 49 LYS HA H 1 4.388 0.05 . 1 . . . . 49 Lys HA . 16313 1 462 . 1 1 49 49 LYS HB2 H 1 2.042 0.05 . 2 . . . . 49 Lys HB2 . 16313 1 463 . 1 1 49 49 LYS HB3 H 1 2.042 0.05 . 2 . . . . 49 Lys HB3 . 16313 1 464 . 1 1 49 49 LYS HD2 H 1 1.669 0.05 . 2 . . . . 49 Lys HD2 . 16313 1 465 . 1 1 49 49 LYS HD3 H 1 1.669 0.05 . 2 . . . . 49 Lys HD3 . 16313 1 466 . 1 1 49 49 LYS HG2 H 1 1.664 0.05 . 2 . . . . 49 Lys HG2 . 16313 1 467 . 1 1 49 49 LYS HG3 H 1 1.664 0.05 . 2 . . . . 49 Lys HG3 . 16313 1 468 . 1 1 49 49 LYS C C 13 177.12 0.5 . 1 . . . . 49 Lys C . 16313 1 469 . 1 1 49 49 LYS CA C 13 57.469 0.5 . 1 . . . . 49 Lys CA . 16313 1 470 . 1 1 49 49 LYS CB C 13 33.990 0.5 . 1 . . . . 49 Lys CB . 16313 1 471 . 1 1 49 49 LYS CD C 13 29.01 0.5 . 1 . . . . 49 Lys CD . 16313 1 472 . 1 1 49 49 LYS CE C 13 41.624 0.5 . 1 . . . . 49 Lys CE . 16313 1 473 . 1 1 49 49 LYS CG C 13 24.91 0.5 . 1 . . . . 49 Lys CG . 16313 1 474 . 1 1 49 49 LYS N N 15 114.530 0.5 . 1 . . . . 49 Lys N . 16313 1 475 . 1 1 50 50 CYS H H 1 8.092 0.05 . 1 . . . . 50 Cys H . 16313 1 476 . 1 1 50 50 CYS HA H 1 4.88 0.05 . 1 . . . . 50 Cys HA . 16313 1 477 . 1 1 50 50 CYS HB2 H 1 2.326 0.05 . 2 . . . . 50 Cys HB2 . 16313 1 478 . 1 1 50 50 CYS HB3 H 1 2.103 0.05 . 2 . . . . 50 Cys HB3 . 16313 1 479 . 1 1 50 50 CYS C C 13 174.56 0.5 . 1 . . . . 50 Cys C . 16313 1 480 . 1 1 50 50 CYS CA C 13 57.213 0.5 . 1 . . . . 50 Cys CA . 16313 1 481 . 1 1 50 50 CYS CB C 13 31.47 0.5 . 1 . . . . 50 Cys CB . 16313 1 482 . 1 1 50 50 CYS N N 15 110.536 0.5 . 1 . . . . 50 Cys N . 16313 1 483 . 1 1 51 51 GLY H H 1 8.644 0.05 . 1 . . . . 51 Gly H . 16313 1 484 . 1 1 51 51 GLY HA2 H 1 4.248 0.05 . 2 . . . . 51 Gly HA2 . 16313 1 485 . 1 1 51 51 GLY HA3 H 1 3.65 0.05 . 2 . . . . 51 Gly HA3 . 16313 1 486 . 1 1 51 51 GLY C C 13 173.80 0.5 . 1 . . . . 51 Gly C . 16313 1 487 . 1 1 51 51 GLY CA C 13 46.39 0.5 . 1 . . . . 51 Gly CA . 16313 1 488 . 1 1 51 51 GLY N N 15 113.666 0.5 . 1 . . . . 51 Gly N . 16313 1 489 . 1 1 52 52 THR H H 1 7.781 0.05 . 1 . . . . 52 Thr H . 16313 1 490 . 1 1 52 52 THR HA H 1 4.277 0.05 . 1 . . . . 52 Thr HA . 16313 1 491 . 1 1 52 52 THR HB H 1 3.78 0.05 . 1 . . . . 52 Thr HB . 16313 1 492 . 1 1 52 52 THR HG21 H 1 1.15 0.05 . 1 . . . . 52 Thr HG2 . 16313 1 493 . 1 1 52 52 THR HG22 H 1 1.15 0.05 . 1 . . . . 52 Thr HG2 . 16313 1 494 . 1 1 52 52 THR HG23 H 1 1.15 0.05 . 1 . . . . 52 Thr HG2 . 16313 1 495 . 1 1 52 52 THR C C 13 172.08 0.5 . 1 . . . . 52 Thr C . 16313 1 496 . 1 1 52 52 THR CA C 13 63.63 0.5 . 1 . . . . 52 Thr CA . 16313 1 497 . 1 1 52 52 THR CB C 13 69.72 0.5 . 1 . . . . 52 Thr CB . 16313 1 498 . 1 1 52 52 THR CG2 C 13 22.02 0.5 . 1 . . . . 52 Thr CG2 . 16313 1 499 . 1 1 52 52 THR N N 15 121.643 0.5 . 1 . . . . 52 Thr N . 16313 1 500 . 1 1 53 53 SER H H 1 8.606 0.05 . 1 . . . . 53 Ser H . 16313 1 501 . 1 1 53 53 SER HA H 1 3.775 0.05 . 1 . . . . 53 Ser HA . 16313 1 502 . 1 1 53 53 SER HB2 H 1 3.812 0.05 . 2 . . . . 53 Ser HB2 . 16313 1 503 . 1 1 53 53 SER HB3 H 1 3.744 0.05 . 2 . . . . 53 Ser HB3 . 16313 1 504 . 1 1 53 53 SER C C 13 175.89 0.5 . 1 . . . . 53 Ser C . 16313 1 505 . 1 1 53 53 SER CA C 13 58.590 0.5 . 1 . . . . 53 Ser CA . 16313 1 506 . 1 1 53 53 SER CB C 13 63.62 0.5 . 1 . . . . 53 Ser CB . 16313 1 507 . 1 1 53 53 SER N N 15 120.903 0.5 . 1 . . . . 53 Ser N . 16313 1 508 . 1 1 54 54 VAL H H 1 7.895 0.05 . 1 . . . . 54 Val H . 16313 1 509 . 1 1 54 54 VAL HA H 1 3.563 0.05 . 1 . . . . 54 Val HA . 16313 1 510 . 1 1 54 54 VAL HB H 1 1.861 0.05 . 1 . . . . 54 Val HB . 16313 1 511 . 1 1 54 54 VAL HG11 H 1 0.872 0.05 . 1 . . . . 54 Val HG1 . 16313 1 512 . 1 1 54 54 VAL HG12 H 1 0.872 0.05 . 1 . . . . 54 Val HG1 . 16313 1 513 . 1 1 54 54 VAL HG13 H 1 0.872 0.05 . 1 . . . . 54 Val HG1 . 16313 1 514 . 1 1 54 54 VAL HG21 H 1 0.872 0.05 . 1 . . . . 54 Val HG2 . 16313 1 515 . 1 1 54 54 VAL HG22 H 1 0.872 0.05 . 1 . . . . 54 Val HG2 . 16313 1 516 . 1 1 54 54 VAL HG23 H 1 0.872 0.05 . 1 . . . . 54 Val HG2 . 16313 1 517 . 1 1 54 54 VAL C C 13 178.26 0.5 . 1 . . . . 54 Val C . 16313 1 518 . 1 1 54 54 VAL CA C 13 66.6 0.5 . 1 . . . . 54 Val CA . 16313 1 519 . 1 1 54 54 VAL CB C 13 31.63 0.5 . 1 . . . . 54 Val CB . 16313 1 520 . 1 1 54 54 VAL CG1 C 13 21.5 0.5 . 1 . . . . 54 Val CG1 . 16313 1 521 . 1 1 54 54 VAL CG2 C 13 21.5 0.5 . 1 . . . . 54 Val CG2 . 16313 1 522 . 1 1 54 54 VAL N N 15 121.121 0.5 . 1 . . . . 54 Val N . 16313 1 523 . 1 1 55 55 ASN H H 1 8.148 0.05 . 1 . . . . 55 Asn H . 16313 1 524 . 1 1 55 55 ASN HA H 1 4.496 0.05 . 1 . . . . 55 Asn HA . 16313 1 525 . 1 1 55 55 ASN HB2 H 1 2.777 0.05 . 1 . . . . 55 Asn HB2 . 16313 1 526 . 1 1 55 55 ASN HB3 H 1 2.695 0.05 . 1 . . . . 55 Asn HB3 . 16313 1 527 . 1 1 55 55 ASN HD21 H 1 7.587 0.05 . 2 . . . . 55 Asn HD21 . 16313 1 528 . 1 1 55 55 ASN HD22 H 1 6.881 0.05 . 2 . . . . 55 Asn HD22 . 16313 1 529 . 1 1 55 55 ASN C C 13 175.64 0.5 . 1 . . . . 55 Asn C . 16313 1 530 . 1 1 55 55 ASN CA C 13 54.875 0.5 . 1 . . . . 55 Asn CA . 16313 1 531 . 1 1 55 55 ASN CB C 13 38.12 0.5 . 1 . . . . 55 Asn CB . 16313 1 532 . 1 1 55 55 ASN N N 15 115.018 0.5 . 1 . . . . 55 Asn N . 16313 1 533 . 1 1 55 55 ASN ND2 N 15 112.7 0.5 . 1 . . . . 55 Asn ND2 . 16313 1 534 . 1 1 56 56 SER H H 1 7.559 0.05 . 1 . . . . 56 Ser H . 16313 1 535 . 1 1 56 56 SER HA H 1 4.585 0.05 . 1 . . . . 56 Ser HA . 16313 1 536 . 1 1 56 56 SER HB2 H 1 3.991 0.05 . 1 . . . . 56 Ser HB2 . 16313 1 537 . 1 1 56 56 SER HB3 H 1 3.759 0.05 . 1 . . . . 56 Ser HB3 . 16313 1 538 . 1 1 56 56 SER C C 13 171.18 0.5 . 1 . . . . 56 Ser C . 16313 1 539 . 1 1 56 56 SER CA C 13 57.26 0.5 . 1 . . . . 56 Ser CA . 16313 1 540 . 1 1 56 56 SER CB C 13 64.260 0.5 . 1 . . . . 56 Ser CB . 16313 1 541 . 1 1 56 56 SER N N 15 114.545 0.5 . 1 . . . . 56 Ser N . 16313 1 542 . 1 1 57 57 MET H H 1 7.177 0.05 . 1 . . . . 57 Met H . 16313 1 543 . 1 1 57 57 MET HA H 1 4.785 0.05 . 1 . . . . 57 Met HA . 16313 1 544 . 1 1 57 57 MET HB2 H 1 2.209 0.05 . 2 . . . . 57 Met HB2 . 16313 1 545 . 1 1 57 57 MET HB3 H 1 1.829 0.05 . 2 . . . . 57 Met HB3 . 16313 1 546 . 1 1 57 57 MET HG2 H 1 2.257 0.05 . 2 . . . . 57 Met HG2 . 16313 1 547 . 1 1 57 57 MET HG3 H 1 1.96 0.05 . 2 . . . . 57 Met HG3 . 16313 1 548 . 1 1 57 57 MET C C 13 175.40 0.5 . 1 . . . . 57 Met C . 16313 1 549 . 1 1 57 57 MET CA C 13 55.631 0.5 . 1 . . . . 57 Met CA . 16313 1 550 . 1 1 57 57 MET CB C 13 36.74 0.5 . 1 . . . . 57 Met CB . 16313 1 551 . 1 1 57 57 MET CG C 13 32.11 0.5 . 1 . . . . 57 Met CG . 16313 1 552 . 1 1 57 57 MET N N 15 120.883 0.5 . 1 . . . . 57 Met N . 16313 1 553 . 1 1 58 58 ALA H H 1 9.226 0.05 . 1 . . . . 58 Ala H . 16313 1 554 . 1 1 58 58 ALA HA H 1 4.723 0.05 . 1 . . . . 58 Ala HA . 16313 1 555 . 1 1 58 58 ALA HB1 H 1 1.277 0.05 . 1 . . . . 58 Ala HB . 16313 1 556 . 1 1 58 58 ALA HB2 H 1 1.277 0.05 . 1 . . . . 58 Ala HB . 16313 1 557 . 1 1 58 58 ALA HB3 H 1 1.277 0.05 . 1 . . . . 58 Ala HB . 16313 1 558 . 1 1 58 58 ALA C C 13 175.36 0.5 . 1 . . . . 58 Ala C . 16313 1 559 . 1 1 58 58 ALA CA C 13 50.327 0.5 . 1 . . . . 58 Ala CA . 16313 1 560 . 1 1 58 58 ALA CB C 13 21.58 0.5 . 1 . . . . 58 Ala CB . 16313 1 561 . 1 1 58 58 ALA N N 15 129.559 0.5 . 1 . . . . 58 Ala N . 16313 1 562 . 1 1 59 59 LEU H H 1 8.307 0.05 . 1 . . . . 59 Leu H . 16313 1 563 . 1 1 59 59 LEU HA H 1 5.393 0.05 . 1 . . . . 59 Leu HA . 16313 1 564 . 1 1 59 59 LEU HB2 H 1 1.444 0.05 . 2 . . . . 59 Leu HB2 . 16313 1 565 . 1 1 59 59 LEU HB3 H 1 1.197 0.05 . 2 . . . . 59 Leu HB3 . 16313 1 566 . 1 1 59 59 LEU HD11 H 1 0.827 0.05 . 2 . . . . 59 Leu HD1 . 16313 1 567 . 1 1 59 59 LEU HD12 H 1 0.827 0.05 . 2 . . . . 59 Leu HD1 . 16313 1 568 . 1 1 59 59 LEU HD13 H 1 0.827 0.05 . 2 . . . . 59 Leu HD1 . 16313 1 569 . 1 1 59 59 LEU HD21 H 1 0.827 0.05 . 2 . . . . 59 Leu HD2 . 16313 1 570 . 1 1 59 59 LEU HD22 H 1 0.827 0.05 . 2 . . . . 59 Leu HD2 . 16313 1 571 . 1 1 59 59 LEU HD23 H 1 0.827 0.05 . 2 . . . . 59 Leu HD2 . 16313 1 572 . 1 1 59 59 LEU HG H 1 0.747 0.05 . 1 . . . . 59 Leu HG . 16313 1 573 . 1 1 59 59 LEU C C 13 175.47 0.5 . 1 . . . . 59 Leu C . 16313 1 574 . 1 1 59 59 LEU CA C 13 52.97 0.5 . 1 . . . . 59 Leu CA . 16313 1 575 . 1 1 59 59 LEU CB C 13 47.41 0.5 . 1 . . . . 59 Leu CB . 16313 1 576 . 1 1 59 59 LEU CD1 C 13 25.7 0.5 . 2 . . . . 59 Leu CD1 . 16313 1 577 . 1 1 59 59 LEU CD2 C 13 25.7 0.5 . 2 . . . . 59 Leu CD2 . 16313 1 578 . 1 1 59 59 LEU CG C 13 26.79 0.5 . 1 . . . . 59 Leu CG . 16313 1 579 . 1 1 59 59 LEU N N 15 118.793 0.5 . 1 . . . . 59 Leu N . 16313 1 580 . 1 1 60 60 GLU H H 1 8.978 0.05 . 1 . . . . 60 Glu H . 16313 1 581 . 1 1 60 60 GLU HA H 1 4.789 0.05 . 1 . . . . 60 Glu HA . 16313 1 582 . 1 1 60 60 GLU HB2 H 1 2.377 0.05 . 1 . . . . 60 Glu HB2 . 16313 1 583 . 1 1 60 60 GLU HB3 H 1 1.743 0.05 . 1 . . . . 60 Glu HB3 . 16313 1 584 . 1 1 60 60 GLU HG2 H 1 2.341 0.05 . 1 . . . . 60 Glu HG2 . 16313 1 585 . 1 1 60 60 GLU HG3 H 1 2.108 0.05 . 1 . . . . 60 Glu HG3 . 16313 1 586 . 1 1 60 60 GLU C C 13 173.67 0.5 . 1 . . . . 60 Glu C . 16313 1 587 . 1 1 60 60 GLU CA C 13 54.246 0.5 . 1 . . . . 60 Glu CA . 16313 1 588 . 1 1 60 60 GLU CB C 13 35.47 0.5 . 1 . . . . 60 Glu CB . 16313 1 589 . 1 1 60 60 GLU CG C 13 37.41 0.5 . 1 . . . . 60 Glu CG . 16313 1 590 . 1 1 60 60 GLU N N 15 121.1 0.5 . 1 . . . . 60 Glu N . 16313 1 591 . 1 1 61 61 LEU H H 1 8.651 0.05 . 1 . . . . 61 Leu H . 16313 1 592 . 1 1 61 61 LEU HA H 1 5.541 0.05 . 1 . . . . 61 Leu HA . 16313 1 593 . 1 1 61 61 LEU HB2 H 1 1.746 0.05 . 2 . . . . 61 Leu HB2 . 16313 1 594 . 1 1 61 61 LEU HB3 H 1 1.055 0.05 . 2 . . . . 61 Leu HB3 . 16313 1 595 . 1 1 61 61 LEU HD11 H 1 1.105 0.05 . 2 . . . . 61 Leu HD1 . 16313 1 596 . 1 1 61 61 LEU HD12 H 1 1.105 0.05 . 2 . . . . 61 Leu HD1 . 16313 1 597 . 1 1 61 61 LEU HD13 H 1 1.105 0.05 . 2 . . . . 61 Leu HD1 . 16313 1 598 . 1 1 61 61 LEU HD21 H 1 1.105 0.05 . 2 . . . . 61 Leu HD2 . 16313 1 599 . 1 1 61 61 LEU HD22 H 1 1.105 0.05 . 2 . . . . 61 Leu HD2 . 16313 1 600 . 1 1 61 61 LEU HD23 H 1 1.105 0.05 . 2 . . . . 61 Leu HD2 . 16313 1 601 . 1 1 61 61 LEU HG H 1 0.88 0.05 . 1 . . . . 61 Leu HG . 16313 1 602 . 1 1 61 61 LEU C C 13 174.27 0.5 . 1 . . . . 61 Leu C . 16313 1 603 . 1 1 61 61 LEU CA C 13 53.12 0.5 . 1 . . . . 61 Leu CA . 16313 1 604 . 1 1 61 61 LEU CB C 13 46.89 0.5 . 1 . . . . 61 Leu CB . 16313 1 605 . 1 1 61 61 LEU CD1 C 13 24.26 0.5 . 2 . . . . 61 Leu CD1 . 16313 1 606 . 1 1 61 61 LEU CD2 C 13 24.26 0.5 . 2 . . . . 61 Leu CD2 . 16313 1 607 . 1 1 61 61 LEU CG C 13 27.32 0.5 . 1 . . . . 61 Leu CG . 16313 1 608 . 1 1 61 61 LEU N N 15 122.689 0.5 . 1 . . . . 61 Leu N . 16313 1 609 . 1 1 62 62 TYR H H 1 10.028 0.05 . 1 . . . . 62 Tyr H . 16313 1 610 . 1 1 62 62 TYR HA H 1 5.096 0.05 . 1 . . . . 62 Tyr HA . 16313 1 611 . 1 1 62 62 TYR HB2 H 1 2.805 0.05 . 2 . . . . 62 Tyr HB2 . 16313 1 612 . 1 1 62 62 TYR HB3 H 1 2.668 0.05 . 2 . . . . 62 Tyr HB3 . 16313 1 613 . 1 1 62 62 TYR HD1 H 1 6.67 0.05 . 3 . . . . 62 Tyr HD1 . 16313 1 614 . 1 1 62 62 TYR HD2 H 1 6.67 0.05 . 3 . . . . 62 Tyr HD2 . 16313 1 615 . 1 1 62 62 TYR HE1 H 1 6.75 0.05 . 3 . . . . 62 Tyr HE1 . 16313 1 616 . 1 1 62 62 TYR HE2 H 1 6.75 0.05 . 3 . . . . 62 Tyr HE2 . 16313 1 617 . 1 1 62 62 TYR C C 13 175.18 0.5 . 1 . . . . 62 Tyr C . 16313 1 618 . 1 1 62 62 TYR CA C 13 56.52 0.5 . 1 . . . . 62 Tyr CA . 16313 1 619 . 1 1 62 62 TYR CB C 13 42.52 0.5 . 1 . . . . 62 Tyr CB . 16313 1 620 . 1 1 62 62 TYR CD1 C 13 132.1 0.5 . 3 . . . . 62 Tyr CD1 . 16313 1 621 . 1 1 62 62 TYR CD2 C 13 132.1 0.5 . 3 . . . . 62 Tyr CD2 . 16313 1 622 . 1 1 62 62 TYR CE1 C 13 118.1 0.5 . 3 . . . . 62 Tyr CE1 . 16313 1 623 . 1 1 62 62 TYR CE2 C 13 118.1 0.5 . 3 . . . . 62 Tyr CE2 . 16313 1 624 . 1 1 62 62 TYR N N 15 126.875 0.5 . 1 . . . . 62 Tyr N . 16313 1 625 . 1 1 63 63 ASP H H 1 8.573 0.05 . 1 . . . . 63 Asp H . 16313 1 626 . 1 1 63 63 ASP HA H 1 2.824 0.05 . 1 . . . . 63 Asp HA . 16313 1 627 . 1 1 63 63 ASP HB2 H 1 2.499 0.05 . 2 . . . . 63 Asp HB2 . 16313 1 628 . 1 1 63 63 ASP HB3 H 1 2.007 0.05 . 2 . . . . 63 Asp HB3 . 16313 1 629 . 1 1 63 63 ASP C C 13 176.47 0.5 . 1 . . . . 63 Asp C . 16313 1 630 . 1 1 63 63 ASP CA C 13 51.49 0.5 . 1 . . . . 63 Asp CA . 16313 1 631 . 1 1 63 63 ASP CB C 13 41.490 0.5 . 1 . . . . 63 Asp CB . 16313 1 632 . 1 1 63 63 ASP N N 15 118.563 0.5 . 1 . . . . 63 Asp N . 16313 1 633 . 1 1 64 64 ASP H H 1 8.319 0.05 . 1 . . . . 64 Asp H . 16313 1 634 . 1 1 64 64 ASP HA H 1 4.396 0.05 . 1 . . . . 64 Asp HA . 16313 1 635 . 1 1 64 64 ASP HB2 H 1 2.922 0.05 . 2 . . . . 64 Asp HB2 . 16313 1 636 . 1 1 64 64 ASP HB3 H 1 2.739 0.05 . 2 . . . . 64 Asp HB3 . 16313 1 637 . 1 1 64 64 ASP C C 13 176.67 0.5 . 1 . . . . 64 Asp C . 16313 1 638 . 1 1 64 64 ASP CA C 13 55.270 0.5 . 1 . . . . 64 Asp CA . 16313 1 639 . 1 1 64 64 ASP CB C 13 39.54 0.5 . 1 . . . . 64 Asp CB . 16313 1 640 . 1 1 64 64 ASP N N 15 114.728 0.5 . 1 . . . . 64 Asp N . 16313 1 641 . 1 1 65 65 SER H H 1 8.305 0.05 . 1 . . . . 65 Ser H . 16313 1 642 . 1 1 65 65 SER HA H 1 4.64 0.05 . 1 . . . . 65 Ser HA . 16313 1 643 . 1 1 65 65 SER HB2 H 1 3.986 0.05 . 2 . . . . 65 Ser HB2 . 16313 1 644 . 1 1 65 65 SER HB3 H 1 3.87 0.05 . 2 . . . . 65 Ser HB3 . 16313 1 645 . 1 1 65 65 SER C C 13 174.70 0.5 . 1 . . . . 65 Ser C . 16313 1 646 . 1 1 65 65 SER CA C 13 58.550 0.5 . 1 . . . . 65 Ser CA . 16313 1 647 . 1 1 65 65 SER CB C 13 64.393 0.5 . 1 . . . . 65 Ser CB . 16313 1 648 . 1 1 65 65 SER N N 15 115.837 0.5 . 1 . . . . 65 Ser N . 16313 1 649 . 1 1 66 66 GLY H H 1 7.876 0.05 . 1 . . . . 66 Gly H . 16313 1 650 . 1 1 66 66 GLY HA2 H 1 4.284 0.05 . 2 . . . . 66 Gly HA2 . 16313 1 651 . 1 1 66 66 GLY HA3 H 1 3.679 0.05 . 2 . . . . 66 Gly HA3 . 16313 1 652 . 1 1 66 66 GLY C C 13 174.55 0.5 . 1 . . . . 66 Gly C . 16313 1 653 . 1 1 66 66 GLY CA C 13 45.57 0.5 . 1 . . . . 66 Gly CA . 16313 1 654 . 1 1 66 66 GLY N N 15 109.151 0.5 . 1 . . . . 66 Gly N . 16313 1 655 . 1 1 67 67 SER H H 1 8.416 0.05 . 1 . . . . 67 Ser H . 16313 1 656 . 1 1 67 67 SER HA H 1 4.583 0.05 . 1 . . . . 67 Ser HA . 16313 1 657 . 1 1 67 67 SER HB2 H 1 3.736 0.05 . 2 . . . . 67 Ser HB2 . 16313 1 658 . 1 1 67 67 SER HB3 H 1 3.736 0.05 . 2 . . . . 67 Ser HB3 . 16313 1 659 . 1 1 67 67 SER C C 13 173.68 0.5 . 1 . . . . 67 Ser C . 16313 1 660 . 1 1 67 67 SER CA C 13 58.07 0.5 . 1 . . . . 67 Ser CA . 16313 1 661 . 1 1 67 67 SER CB C 13 63.3 0.5 . 1 . . . . 67 Ser CB . 16313 1 662 . 1 1 67 67 SER N N 15 119.156 0.5 . 1 . . . . 67 Ser N . 16313 1 663 . 1 1 68 68 LYS H H 1 8.880 0.05 . 1 . . . . 68 Lys H . 16313 1 664 . 1 1 68 68 LYS HA H 1 3.233 0.05 . 1 . . . . 68 Lys HA . 16313 1 665 . 1 1 68 68 LYS HB2 H 1 1.593 0.05 . 2 . . . . 68 Lys HB2 . 16313 1 666 . 1 1 68 68 LYS HB3 H 1 1.27 0.05 . 2 . . . . 68 Lys HB3 . 16313 1 667 . 1 1 68 68 LYS HD2 H 1 1.434 0.05 . 2 . . . . 68 Lys HD2 . 16313 1 668 . 1 1 68 68 LYS HD3 H 1 1.309 0.05 . 2 . . . . 68 Lys HD3 . 16313 1 669 . 1 1 68 68 LYS HG2 H 1 1.108 0.05 . 2 . . . . 68 Lys HG2 . 16313 1 670 . 1 1 68 68 LYS HG3 H 1 1.108 0.05 . 2 . . . . 68 Lys HG3 . 16313 1 671 . 1 1 68 68 LYS C C 13 176.44 0.5 . 1 . . . . 68 Lys C . 16313 1 672 . 1 1 68 68 LYS CA C 13 57.920 0.5 . 1 . . . . 68 Lys CA . 16313 1 673 . 1 1 68 68 LYS CB C 13 31.822 0.5 . 1 . . . . 68 Lys CB . 16313 1 674 . 1 1 68 68 LYS CD C 13 29.31 0.5 . 1 . . . . 68 Lys CD . 16313 1 675 . 1 1 68 68 LYS CE C 13 41.18 0.5 . 1 . . . . 68 Lys CE . 16313 1 676 . 1 1 68 68 LYS CG C 13 25.04 0.5 . 1 . . . . 68 Lys CG . 16313 1 677 . 1 1 68 68 LYS N N 15 128.005 0.5 . 1 . . . . 68 Lys N . 16313 1 678 . 1 1 69 69 VAL H H 1 9.215 0.05 . 1 . . . . 69 Val H . 16313 1 679 . 1 1 69 69 VAL HA H 1 4.185 0.05 . 1 . . . . 69 Val HA . 16313 1 680 . 1 1 69 69 VAL HB H 1 1.974 0.05 . 1 . . . . 69 Val HB . 16313 1 681 . 1 1 69 69 VAL HG11 H 1 1.003 0.05 . 2 . . . . 69 Val HG1 . 16313 1 682 . 1 1 69 69 VAL HG12 H 1 1.003 0.05 . 2 . . . . 69 Val HG1 . 16313 1 683 . 1 1 69 69 VAL HG13 H 1 1.003 0.05 . 2 . . . . 69 Val HG1 . 16313 1 684 . 1 1 69 69 VAL HG21 H 1 0.858 0.05 . 2 . . . . 69 Val HG2 . 16313 1 685 . 1 1 69 69 VAL HG22 H 1 0.858 0.05 . 2 . . . . 69 Val HG2 . 16313 1 686 . 1 1 69 69 VAL HG23 H 1 0.858 0.05 . 2 . . . . 69 Val HG2 . 16313 1 687 . 1 1 69 69 VAL C C 13 176.17 0.5 . 1 . . . . 69 Val C . 16313 1 688 . 1 1 69 69 VAL CA C 13 62.860 0.5 . 1 . . . . 69 Val CA . 16313 1 689 . 1 1 69 69 VAL CB C 13 33.66 0.5 . 1 . . . . 69 Val CB . 16313 1 690 . 1 1 69 69 VAL CG1 C 13 21.96 0.5 . 2 . . . . 69 Val CG1 . 16313 1 691 . 1 1 69 69 VAL CG2 C 13 20.96 0.5 . 2 . . . . 69 Val CG2 . 16313 1 692 . 1 1 69 69 VAL N N 15 126.574 0.5 . 1 . . . . 69 Val N . 16313 1 693 . 1 1 70 70 ALA H H 1 7.647 0.05 . 1 . . . . 70 Ala H . 16313 1 694 . 1 1 70 70 ALA HA H 1 4.614 0.05 . 1 . . . . 70 Ala HA . 16313 1 695 . 1 1 70 70 ALA HB1 H 1 1.454 0.05 . 1 . . . . 70 Ala HB . 16313 1 696 . 1 1 70 70 ALA HB2 H 1 1.454 0.05 . 1 . . . . 70 Ala HB . 16313 1 697 . 1 1 70 70 ALA HB3 H 1 1.454 0.05 . 1 . . . . 70 Ala HB . 16313 1 698 . 1 1 70 70 ALA C C 13 175.17 0.5 . 1 . . . . 70 Ala C . 16313 1 699 . 1 1 70 70 ALA CA C 13 52.4 0.5 . 1 . . . . 70 Ala CA . 16313 1 700 . 1 1 70 70 ALA CB C 13 23.35 0.5 . 1 . . . . 70 Ala CB . 16313 1 701 . 1 1 70 70 ALA N N 15 118.268 0.5 . 1 . . . . 70 Ala N . 16313 1 702 . 1 1 71 71 VAL H H 1 8.428 0.05 . 1 . . . . 71 Val H . 16313 1 703 . 1 1 71 71 VAL HA H 1 4.216 0.05 . 1 . . . . 71 Val HA . 16313 1 704 . 1 1 71 71 VAL HB H 1 2.012 0.05 . 1 . . . . 71 Val HB . 16313 1 705 . 1 1 71 71 VAL HG11 H 1 0.911 0.05 . 2 . . . . 71 Val HG1 . 16313 1 706 . 1 1 71 71 VAL HG12 H 1 0.911 0.05 . 2 . . . . 71 Val HG1 . 16313 1 707 . 1 1 71 71 VAL HG13 H 1 0.911 0.05 . 2 . . . . 71 Val HG1 . 16313 1 708 . 1 1 71 71 VAL HG21 H 1 0.962 0.05 . 2 . . . . 71 Val HG2 . 16313 1 709 . 1 1 71 71 VAL HG22 H 1 0.962 0.05 . 2 . . . . 71 Val HG2 . 16313 1 710 . 1 1 71 71 VAL HG23 H 1 0.962 0.05 . 2 . . . . 71 Val HG2 . 16313 1 711 . 1 1 71 71 VAL C C 13 175.81 0.5 . 1 . . . . 71 Val C . 16313 1 712 . 1 1 71 71 VAL CA C 13 62.38 0.5 . 1 . . . . 71 Val CA . 16313 1 713 . 1 1 71 71 VAL CB C 13 33.12 0.5 . 1 . . . . 71 Val CB . 16313 1 714 . 1 1 71 71 VAL CG1 C 13 21.19 0.5 . 2 . . . . 71 Val CG1 . 16313 1 715 . 1 1 71 71 VAL CG2 C 13 21.3 0.5 . 2 . . . . 71 Val CG2 . 16313 1 716 . 1 1 71 71 VAL N N 15 119.624 0.5 . 1 . . . . 71 Val N . 16313 1 717 . 1 1 72 72 LEU H H 1 8.333 0.05 . 1 . . . . 72 Leu H . 16313 1 718 . 1 1 72 72 LEU HA H 1 3.882 0.05 . 1 . . . . 72 Leu HA . 16313 1 719 . 1 1 72 72 LEU HB2 H 1 1.301 0.05 . 2 . . . . 72 Leu HB2 . 16313 1 720 . 1 1 72 72 LEU HB3 H 1 1.301 0.05 . 2 . . . . 72 Leu HB3 . 16313 1 721 . 1 1 72 72 LEU HD11 H 1 0.160 0.05 . 2 . . . . 72 Leu HD1 . 16313 1 722 . 1 1 72 72 LEU HD12 H 1 0.160 0.05 . 2 . . . . 72 Leu HD1 . 16313 1 723 . 1 1 72 72 LEU HD13 H 1 0.160 0.05 . 2 . . . . 72 Leu HD1 . 16313 1 724 . 1 1 72 72 LEU HD21 H 1 0.16 0.05 . 2 . . . . 72 Leu HD2 . 16313 1 725 . 1 1 72 72 LEU HD22 H 1 0.16 0.05 . 2 . . . . 72 Leu HD2 . 16313 1 726 . 1 1 72 72 LEU HD23 H 1 0.16 0.05 . 2 . . . . 72 Leu HD2 . 16313 1 727 . 1 1 72 72 LEU HG H 1 0.555 0.05 . 1 . . . . 72 Leu HG . 16313 1 728 . 1 1 72 72 LEU C C 13 176.58 0.5 . 1 . . . . 72 Leu C . 16313 1 729 . 1 1 72 72 LEU CA C 13 54.6 0.5 . 1 . . . . 72 Leu CA . 16313 1 730 . 1 1 72 72 LEU CB C 13 37.88 0.5 . 1 . . . . 72 Leu CB . 16313 1 731 . 1 1 72 72 LEU CD1 C 13 24.82 0.5 . 2 . . . . 72 Leu CD1 . 16313 1 732 . 1 1 72 72 LEU CD2 C 13 24.82 0.5 . 2 . . . . 72 Leu CD2 . 16313 1 733 . 1 1 72 72 LEU CG C 13 27.98 0.5 . 1 . . . . 72 Leu CG . 16313 1 734 . 1 1 72 72 LEU N N 15 130.241 0.5 . 1 . . . . 72 Leu N . 16313 1 735 . 1 1 73 73 SER H H 1 7.865 0.05 . 1 . . . . 73 Ser H . 16313 1 736 . 1 1 73 73 SER HA H 1 4.304 0.05 . 1 . . . . 73 Ser HA . 16313 1 737 . 1 1 73 73 SER HB2 H 1 4.0 0.05 . 2 . . . . 73 Ser HB2 . 16313 1 738 . 1 1 73 73 SER HB3 H 1 3.759 0.05 . 2 . . . . 73 Ser HB3 . 16313 1 739 . 1 1 73 73 SER C C 13 173.47 0.5 . 1 . . . . 73 Ser C . 16313 1 740 . 1 1 73 73 SER CA C 13 59.4 0.5 . 1 . . . . 73 Ser CA . 16313 1 741 . 1 1 73 73 SER CB C 13 64.23 0.5 . 1 . . . . 73 Ser CB . 16313 1 742 . 1 1 73 73 SER N N 15 116.577 0.5 . 1 . . . . 73 Ser N . 16313 1 743 . 1 1 74 74 ASP H H 1 7.553 0.05 . 1 . . . . 74 Asp H . 16313 1 744 . 1 1 74 74 ASP HA H 1 4.858 0.05 . 1 . . . . 74 Asp HA . 16313 1 745 . 1 1 74 74 ASP HB2 H 1 2.949 0.05 . 2 . . . . 74 Asp HB2 . 16313 1 746 . 1 1 74 74 ASP HB3 H 1 2.599 0.05 . 2 . . . . 74 Asp HB3 . 16313 1 747 . 1 1 74 74 ASP C C 13 175.91 0.5 . 1 . . . . 74 Asp C . 16313 1 748 . 1 1 74 74 ASP CA C 13 53.057 0.5 . 1 . . . . 74 Asp CA . 16313 1 749 . 1 1 74 74 ASP CB C 13 41.72 0.5 . 1 . . . . 74 Asp CB . 16313 1 750 . 1 1 74 74 ASP N N 15 120.482 0.5 . 1 . . . . 74 Asp N . 16313 1 751 . 1 1 75 75 ASP H H 1 8.601 0.05 . 1 . . . . 75 Asp H . 16313 1 752 . 1 1 75 75 ASP HA H 1 4.375 0.05 . 1 . . . . 75 Asp HA . 16313 1 753 . 1 1 75 75 ASP HB2 H 1 2.633 0.05 . 2 . . . . 75 Asp HB2 . 16313 1 754 . 1 1 75 75 ASP HB3 H 1 2.633 0.05 . 2 . . . . 75 Asp HB3 . 16313 1 755 . 1 1 75 75 ASP C C 13 176.59 0.5 . 1 . . . . 75 Asp C . 16313 1 756 . 1 1 75 75 ASP CA C 13 56.76 0.5 . 1 . . . . 75 Asp CA . 16313 1 757 . 1 1 75 75 ASP CB C 13 41.31 0.5 . 1 . . . . 75 Asp CB . 16313 1 758 . 1 1 75 75 ASP N N 15 125.434 0.5 . 1 . . . . 75 Asp N . 16313 1 759 . 1 1 76 76 SER H H 1 8.558 0.05 . 1 . . . . 76 Ser H . 16313 1 760 . 1 1 76 76 SER HA H 1 4.463 0.05 . 1 . . . . 76 Ser HA . 16313 1 761 . 1 1 76 76 SER HB2 H 1 3.937 0.05 . 2 . . . . 76 Ser HB2 . 16313 1 762 . 1 1 76 76 SER HB3 H 1 3.937 0.05 . 2 . . . . 76 Ser HB3 . 16313 1 763 . 1 1 76 76 SER C C 13 175.63 0.5 . 1 . . . . 76 Ser C . 16313 1 764 . 1 1 76 76 SER CA C 13 59.32 0.5 . 1 . . . . 76 Ser CA . 16313 1 765 . 1 1 76 76 SER CB C 13 64.255 0.5 . 1 . . . . 76 Ser CB . 16313 1 766 . 1 1 76 76 SER N N 15 112.502 0.5 . 1 . . . . 76 Ser N . 16313 1 767 . 1 1 77 77 ARG H H 1 7.381 0.05 . 1 . . . . 77 Arg H . 16313 1 768 . 1 1 77 77 ARG HA H 1 4.318 0.05 . 1 . . . . 77 Arg HA . 16313 1 769 . 1 1 77 77 ARG HB2 H 1 1.997 0.05 . 2 . . . . 77 Arg HB2 . 16313 1 770 . 1 1 77 77 ARG HB3 H 1 1.542 0.05 . 2 . . . . 77 Arg HB3 . 16313 1 771 . 1 1 77 77 ARG HD2 H 1 2.469 0.05 . 2 . . . . 77 Arg HD2 . 16313 1 772 . 1 1 77 77 ARG HD3 H 1 1.907 0.05 . 2 . . . . 77 Arg HD3 . 16313 1 773 . 1 1 77 77 ARG HG2 H 1 1.404 0.05 . 2 . . . . 77 Arg HG2 . 16313 1 774 . 1 1 77 77 ARG HG3 H 1 1.404 0.05 . 2 . . . . 77 Arg HG3 . 16313 1 775 . 1 1 77 77 ARG CA C 13 53.26 0.5 . 1 . . . . 77 Arg CA . 16313 1 776 . 1 1 77 77 ARG CB C 13 30.88 0.5 . 1 . . . . 77 Arg CB . 16313 1 777 . 1 1 77 77 ARG CD C 13 42.95 0.5 . 1 . . . . 77 Arg CD . 16313 1 778 . 1 1 77 77 ARG CG C 13 26.53 0.5 . 1 . . . . 77 Arg CG . 16313 1 779 . 1 1 77 77 ARG N N 15 123.368 0.5 . 1 . . . . 77 Arg N . 16313 1 780 . 1 1 78 78 PRO HA H 1 4.697 0.05 . 1 . . . . 78 Pro HA . 16313 1 781 . 1 1 78 78 PRO HB2 H 1 2.193 0.05 . 2 . . . . 78 Pro HB2 . 16313 1 782 . 1 1 78 78 PRO HB3 H 1 2.135 0.05 . 2 . . . . 78 Pro HB3 . 16313 1 783 . 1 1 78 78 PRO HD2 H 1 3.827 0.05 . 2 . . . . 78 Pro HD2 . 16313 1 784 . 1 1 78 78 PRO HD3 H 1 3.425 0.05 . 2 . . . . 78 Pro HD3 . 16313 1 785 . 1 1 78 78 PRO HG2 H 1 2.094 0.05 . 2 . . . . 78 Pro HG2 . 16313 1 786 . 1 1 78 78 PRO HG3 H 1 2.094 0.05 . 2 . . . . 78 Pro HG3 . 16313 1 787 . 1 1 78 78 PRO C C 13 178.09 0.5 . 1 . . . . 78 Pro C . 16313 1 788 . 1 1 78 78 PRO CA C 13 61.97 0.5 . 1 . . . . 78 Pro CA . 16313 1 789 . 1 1 78 78 PRO CB C 13 31.38 0.5 . 1 . . . . 78 Pro CB . 16313 1 790 . 1 1 78 78 PRO CD C 13 50.36 0.5 . 1 . . . . 78 Pro CD . 16313 1 791 . 1 1 78 78 PRO CG C 13 27.8 0.5 . 1 . . . . 78 Pro CG . 16313 1 792 . 1 1 79 79 LEU H H 1 9.260 0.05 . 1 . . . . 79 Leu H . 16313 1 793 . 1 1 79 79 LEU HA H 1 4.099 0.05 . 1 . . . . 79 Leu HA . 16313 1 794 . 1 1 79 79 LEU HB2 H 1 1.823 0.05 . 2 . . . . 79 Leu HB2 . 16313 1 795 . 1 1 79 79 LEU HB3 H 1 1.471 0.05 . 2 . . . . 79 Leu HB3 . 16313 1 796 . 1 1 79 79 LEU HD11 H 1 0.777 0.05 . 2 . . . . 79 Leu HD1 . 16313 1 797 . 1 1 79 79 LEU HD12 H 1 0.777 0.05 . 2 . . . . 79 Leu HD1 . 16313 1 798 . 1 1 79 79 LEU HD13 H 1 0.777 0.05 . 2 . . . . 79 Leu HD1 . 16313 1 799 . 1 1 79 79 LEU HD21 H 1 0.777 0.05 . 2 . . . . 79 Leu HD2 . 16313 1 800 . 1 1 79 79 LEU HD22 H 1 0.777 0.05 . 2 . . . . 79 Leu HD2 . 16313 1 801 . 1 1 79 79 LEU HD23 H 1 0.777 0.05 . 2 . . . . 79 Leu HD2 . 16313 1 802 . 1 1 79 79 LEU HG H 1 1.118 0.05 . 1 . . . . 79 Leu HG . 16313 1 803 . 1 1 79 79 LEU C C 13 178.68 0.5 . 1 . . . . 79 Leu C . 16313 1 804 . 1 1 79 79 LEU CA C 13 58.29 0.5 . 1 . . . . 79 Leu CA . 16313 1 805 . 1 1 79 79 LEU CB C 13 42.16 0.5 . 1 . . . . 79 Leu CB . 16313 1 806 . 1 1 79 79 LEU CD1 C 13 22.86 0.5 . 2 . . . . 79 Leu CD1 . 16313 1 807 . 1 1 79 79 LEU CD2 C 13 22.86 0.5 . 2 . . . . 79 Leu CD2 . 16313 1 808 . 1 1 79 79 LEU CG C 13 25.35 0.5 . 1 . . . . 79 Leu CG . 16313 1 809 . 1 1 79 79 LEU N N 15 124.739 0.5 . 1 . . . . 79 Leu N . 16313 1 810 . 1 1 80 80 GLY H H 1 9.611 0.05 . 1 . . . . 80 Gly H . 16313 1 811 . 1 1 80 80 GLY HA2 H 1 4.003 0.05 . 2 . . . . 80 Gly HA2 . 16313 1 812 . 1 1 80 80 GLY HA3 H 1 3.683 0.05 . 2 . . . . 80 Gly HA3 . 16313 1 813 . 1 1 80 80 GLY C C 13 175.85 0.5 . 1 . . . . 80 Gly C . 16313 1 814 . 1 1 80 80 GLY CA C 13 46.83 0.5 . 1 . . . . 80 Gly CA . 16313 1 815 . 1 1 80 80 GLY N N 15 102.276 0.5 . 1 . . . . 80 Gly N . 16313 1 816 . 1 1 81 81 PHE H H 1 8.177 0.05 . 1 . . . . 81 Phe H . 16313 1 817 . 1 1 81 81 PHE HA H 1 4.09 0.05 . 1 . . . . 81 Phe HA . 16313 1 818 . 1 1 81 81 PHE HB2 H 1 3.075 0.05 . 2 . . . . 81 Phe HB2 . 16313 1 819 . 1 1 81 81 PHE HB3 H 1 2.621 0.05 . 2 . . . . 81 Phe HB3 . 16313 1 820 . 1 1 81 81 PHE HD1 H 1 7.42 0.05 . 3 . . . . 81 Phe HD1 . 16313 1 821 . 1 1 81 81 PHE HD2 H 1 7.42 0.05 . 3 . . . . 81 Phe HD2 . 16313 1 822 . 1 1 81 81 PHE C C 13 175.81 0.5 . 1 . . . . 81 Phe C . 16313 1 823 . 1 1 81 81 PHE CA C 13 60.56 0.5 . 1 . . . . 81 Phe CA . 16313 1 824 . 1 1 81 81 PHE CB C 13 39.64 0.5 . 1 . . . . 81 Phe CB . 16313 1 825 . 1 1 81 81 PHE CD1 C 13 132.3 0.5 . 3 . . . . 81 Phe CD1 . 16313 1 826 . 1 1 81 81 PHE CD2 C 13 132.3 0.5 . 3 . . . . 81 Phe CD2 . 16313 1 827 . 1 1 81 81 PHE N N 15 123.413 0.5 . 1 . . . . 81 Phe N . 16313 1 828 . 1 1 82 82 PHE H H 1 7.733 0.05 . 1 . . . . 82 Phe H . 16313 1 829 . 1 1 82 82 PHE HA H 1 4.171 0.05 . 1 . . . . 82 Phe HA . 16313 1 830 . 1 1 82 82 PHE HB2 H 1 3.228 0.05 . 2 . . . . 82 Phe HB2 . 16313 1 831 . 1 1 82 82 PHE HB3 H 1 2.644 0.05 . 2 . . . . 82 Phe HB3 . 16313 1 832 . 1 1 82 82 PHE HD1 H 1 7.46 0.05 . 3 . . . . 82 Phe HD1 . 16313 1 833 . 1 1 82 82 PHE HD2 H 1 7.46 0.05 . 3 . . . . 82 Phe HD2 . 16313 1 834 . 1 1 82 82 PHE C C 13 172.96 0.5 . 1 . . . . 82 Phe C . 16313 1 835 . 1 1 82 82 PHE CA C 13 57.73 0.5 . 1 . . . . 82 Phe CA . 16313 1 836 . 1 1 82 82 PHE CB C 13 38.67 0.5 . 1 . . . . 82 Phe CB . 16313 1 837 . 1 1 82 82 PHE CD1 C 13 132.4 0.5 . 3 . . . . 82 Phe CD1 . 16313 1 838 . 1 1 82 82 PHE CD2 C 13 132.4 0.5 . 3 . . . . 82 Phe CD2 . 16313 1 839 . 1 1 82 82 PHE N N 15 114.781 0.5 . 1 . . . . 82 Phe N . 16313 1 840 . 1 1 83 83 SER H H 1 7.541 0.05 . 1 . . . . 83 Ser H . 16313 1 841 . 1 1 83 83 SER HA H 1 3.898 0.05 . 1 . . . . 83 Ser HA . 16313 1 842 . 1 1 83 83 SER HB2 H 1 3.829 0.05 . 2 . . . . 83 Ser HB2 . 16313 1 843 . 1 1 83 83 SER HB3 H 1 3.829 0.05 . 2 . . . . 83 Ser HB3 . 16313 1 844 . 1 1 83 83 SER CA C 13 57.98 0.5 . 1 . . . . 83 Ser CA . 16313 1 845 . 1 1 83 83 SER CB C 13 61.882 0.5 . 1 . . . . 83 Ser CB . 16313 1 846 . 1 1 83 83 SER N N 15 108.622 0.5 . 1 . . . . 83 Ser N . 16313 1 847 . 1 1 85 85 PHE HA H 1 4.447 0.05 . 1 . . . . 85 Phe HA . 16313 1 848 . 1 1 85 85 PHE HB2 H 1 2.844 0.05 . 2 . . . . 85 Phe HB2 . 16313 1 849 . 1 1 85 85 PHE HB3 H 1 1.895 0.05 . 2 . . . . 85 Phe HB3 . 16313 1 850 . 1 1 85 85 PHE HD1 H 1 7.05 0.05 . 3 . . . . 85 Phe HD1 . 16313 1 851 . 1 1 85 85 PHE HD2 H 1 7.05 0.05 . 3 . . . . 85 Phe HD2 . 16313 1 852 . 1 1 85 85 PHE HE1 H 1 7.239 0.05 . 3 . . . . 85 Phe HE1 . 16313 1 853 . 1 1 85 85 PHE HE2 H 1 7.239 0.05 . 3 . . . . 85 Phe HE2 . 16313 1 854 . 1 1 85 85 PHE C C 13 173.64 0.5 . 1 . . . . 85 Phe C . 16313 1 855 . 1 1 85 85 PHE CA C 13 55.6 0.5 . 1 . . . . 85 Phe CA . 16313 1 856 . 1 1 85 85 PHE CB C 13 42.18 0.5 . 1 . . . . 85 Phe CB . 16313 1 857 . 1 1 85 85 PHE CD1 C 13 131.9 0.5 . 3 . . . . 85 Phe CD1 . 16313 1 858 . 1 1 85 85 PHE CD2 C 13 131.9 0.5 . 3 . . . . 85 Phe CD2 . 16313 1 859 . 1 1 85 85 PHE CE1 C 13 130.1 0.5 . 3 . . . . 85 Phe CE1 . 16313 1 860 . 1 1 85 85 PHE CE2 C 13 130.1 0.5 . 3 . . . . 85 Phe CE2 . 16313 1 861 . 1 1 86 86 ASP H H 1 8.469 0.05 . 1 . . . . 86 Asp H . 16313 1 862 . 1 1 86 86 ASP HA H 1 4.934 0.05 . 1 . . . . 86 Asp HA . 16313 1 863 . 1 1 86 86 ASP HB2 H 1 2.850 0.05 . 2 . . . . 86 Asp HB2 . 16313 1 864 . 1 1 86 86 ASP HB3 H 1 2.648 0.05 . 2 . . . . 86 Asp HB3 . 16313 1 865 . 1 1 86 86 ASP C C 13 177.91 0.5 . 1 . . . . 86 Asp C . 16313 1 866 . 1 1 86 86 ASP CA C 13 55.927 0.5 . 1 . . . . 86 Asp CA . 16313 1 867 . 1 1 86 86 ASP CB C 13 41.109 0.5 . 1 . . . . 86 Asp CB . 16313 1 868 . 1 1 86 86 ASP N N 15 119.276 0.5 . 1 . . . . 86 Asp N . 16313 1 869 . 1 1 87 87 GLY H H 1 9.163 0.05 . 1 . . . . 87 Gly H . 16313 1 870 . 1 1 87 87 GLY HA2 H 1 4.57 0.05 . 2 . . . . 87 Gly HA2 . 16313 1 871 . 1 1 87 87 GLY HA3 H 1 3.701 0.05 . 2 . . . . 87 Gly HA3 . 16313 1 872 . 1 1 87 87 GLY C C 13 175.18 0.5 . 1 . . . . 87 Gly C . 16313 1 873 . 1 1 87 87 GLY CA C 13 45.54 0.5 . 1 . . . . 87 Gly CA . 16313 1 874 . 1 1 87 87 GLY N N 15 109.579 0.5 . 1 . . . . 87 Gly N . 16313 1 875 . 1 1 88 88 PHE H H 1 8.27 0.05 . 1 . . . . 88 Phe H . 16313 1 876 . 1 1 88 88 PHE HA H 1 4.653 0.05 . 1 . . . . 88 Phe HA . 16313 1 877 . 1 1 88 88 PHE HB2 H 1 3.69 0.05 . 2 . . . . 88 Phe HB2 . 16313 1 878 . 1 1 88 88 PHE HB3 H 1 3.448 0.05 . 2 . . . . 88 Phe HB3 . 16313 1 879 . 1 1 88 88 PHE HD1 H 1 7.64 0.05 . 3 . . . . 88 Phe HD1 . 16313 1 880 . 1 1 88 88 PHE HD2 H 1 7.64 0.05 . 3 . . . . 88 Phe HD2 . 16313 1 881 . 1 1 88 88 PHE HE1 H 1 7.217 0.05 . 3 . . . . 88 Phe HE1 . 16313 1 882 . 1 1 88 88 PHE HE2 H 1 7.217 0.05 . 3 . . . . 88 Phe HE2 . 16313 1 883 . 1 1 88 88 PHE C C 13 172.62 0.5 . 1 . . . . 88 Phe C . 16313 1 884 . 1 1 88 88 PHE CA C 13 57.57 0.5 . 1 . . . . 88 Phe CA . 16313 1 885 . 1 1 88 88 PHE CB C 13 38.75 0.5 . 1 . . . . 88 Phe CB . 16313 1 886 . 1 1 88 88 PHE CD1 C 13 132.6 0.5 . 3 . . . . 88 Phe CD1 . 16313 1 887 . 1 1 88 88 PHE CD2 C 13 132.6 0.5 . 3 . . . . 88 Phe CD2 . 16313 1 888 . 1 1 88 88 PHE CE1 C 13 129.6 0.5 . 3 . . . . 88 Phe CE1 . 16313 1 889 . 1 1 88 88 PHE CE2 C 13 129.6 0.5 . 3 . . . . 88 Phe CE2 . 16313 1 890 . 1 1 88 88 PHE N N 15 121.3 0.5 . 1 . . . . 88 Phe N . 16313 1 891 . 1 1 89 89 ARG H H 1 9.056 0.05 . 1 . . . . 89 Arg H . 16313 1 892 . 1 1 89 89 ARG HA H 1 5.652 0.05 . 1 . . . . 89 Arg HA . 16313 1 893 . 1 1 89 89 ARG HB2 H 1 1.835 0.05 . 2 . . . . 89 Arg HB2 . 16313 1 894 . 1 1 89 89 ARG HB3 H 1 1.785 0.05 . 2 . . . . 89 Arg HB3 . 16313 1 895 . 1 1 89 89 ARG HD2 H 1 3.355 0.05 . 2 . . . . 89 Arg HD2 . 16313 1 896 . 1 1 89 89 ARG HD3 H 1 2.887 0.05 . 2 . . . . 89 Arg HD3 . 16313 1 897 . 1 1 89 89 ARG HG2 H 1 1.506 0.05 . 2 . . . . 89 Arg HG2 . 16313 1 898 . 1 1 89 89 ARG HG3 H 1 1.239 0.05 . 2 . . . . 89 Arg HG3 . 16313 1 899 . 1 1 89 89 ARG C C 13 174.99 0.5 . 1 . . . . 89 Arg C . 16313 1 900 . 1 1 89 89 ARG CA C 13 54.067 0.5 . 1 . . . . 89 Arg CA . 16313 1 901 . 1 1 89 89 ARG CB C 13 35.63 0.5 . 1 . . . . 89 Arg CB . 16313 1 902 . 1 1 89 89 ARG CD C 13 43.95 0.5 . 1 . . . . 89 Arg CD . 16313 1 903 . 1 1 89 89 ARG CG C 13 27.87 0.5 . 1 . . . . 89 Arg CG . 16313 1 904 . 1 1 89 89 ARG N N 15 120.2 0.5 . 1 . . . . 89 Arg N . 16313 1 905 . 1 1 90 90 LEU H H 1 9.487 0.05 . 1 . . . . 90 Leu H . 16313 1 906 . 1 1 90 90 LEU HA H 1 5.244 0.05 . 1 . . . . 90 Leu HA . 16313 1 907 . 1 1 90 90 LEU HB2 H 1 1.676 0.05 . 1 . . . . 90 Leu HB2 . 16313 1 908 . 1 1 90 90 LEU HB3 H 1 1.459 0.05 . 1 . . . . 90 Leu HB3 . 16313 1 909 . 1 1 90 90 LEU HD11 H 1 0.889 0.05 . 2 . . . . 90 Leu HD1 . 16313 1 910 . 1 1 90 90 LEU HD12 H 1 0.889 0.05 . 2 . . . . 90 Leu HD1 . 16313 1 911 . 1 1 90 90 LEU HD13 H 1 0.889 0.05 . 2 . . . . 90 Leu HD1 . 16313 1 912 . 1 1 90 90 LEU HD21 H 1 0.889 0.05 . 2 . . . . 90 Leu HD2 . 16313 1 913 . 1 1 90 90 LEU HD22 H 1 0.889 0.05 . 2 . . . . 90 Leu HD2 . 16313 1 914 . 1 1 90 90 LEU HD23 H 1 0.889 0.05 . 2 . . . . 90 Leu HD2 . 16313 1 915 . 1 1 90 90 LEU HG H 1 1.272 0.05 . 1 . . . . 90 Leu HG . 16313 1 916 . 1 1 90 90 LEU C C 13 173.05 0.5 . 1 . . . . 90 Leu C . 16313 1 917 . 1 1 90 90 LEU CA C 13 53.25 0.5 . 1 . . . . 90 Leu CA . 16313 1 918 . 1 1 90 90 LEU CB C 13 44.87 0.5 . 1 . . . . 90 Leu CB . 16313 1 919 . 1 1 90 90 LEU CD1 C 13 26.027 0.5 . 2 . . . . 90 Leu CD1 . 16313 1 920 . 1 1 90 90 LEU CD2 C 13 26.027 0.5 . 2 . . . . 90 Leu CD2 . 16313 1 921 . 1 1 90 90 LEU CG C 13 26.325 0.5 . 1 . . . . 90 Leu CG . 16313 1 922 . 1 1 90 90 LEU N N 15 128.373 0.5 . 1 . . . . 90 Leu N . 16313 1 923 . 1 1 91 91 HIS H H 1 9.474 0.05 . 1 . . . . 91 His H . 16313 1 924 . 1 1 91 91 HIS HA H 1 5.357 0.05 . 1 . . . . 91 His HA . 16313 1 925 . 1 1 91 91 HIS HB2 H 1 3.327 0.05 . 2 . . . . 91 His HB2 . 16313 1 926 . 1 1 91 91 HIS HB3 H 1 2.502 0.05 . 2 . . . . 91 His HB3 . 16313 1 927 . 1 1 91 91 HIS HD2 H 1 6.38 0.05 . 1 . . . . 91 His HD2 . 16313 1 928 . 1 1 91 91 HIS HE1 H 1 7.348 0.05 . 1 . . . . 91 His HE1 . 16313 1 929 . 1 1 91 91 HIS C C 13 173.87 0.5 . 1 . . . . 91 His C . 16313 1 930 . 1 1 91 91 HIS CA C 13 54.320 0.5 . 1 . . . . 91 His CA . 16313 1 931 . 1 1 91 91 HIS CB C 13 36.07 0.5 . 1 . . . . 91 His CB . 16313 1 932 . 1 1 91 91 HIS CD2 C 13 117.5 0.5 . 1 . . . . 91 His CD2 . 16313 1 933 . 1 1 91 91 HIS CE1 C 13 137.5 0.5 . 1 . . . . 91 His CE1 . 16313 1 934 . 1 1 91 91 HIS N N 15 125.565 0.5 . 1 . . . . 91 His N . 16313 1 935 . 1 1 92 92 ILE H H 1 8.341 0.05 . 1 . . . . 92 Ile H . 16313 1 936 . 1 1 92 92 ILE HA H 1 4.045 0.05 . 1 . . . . 92 Ile HA . 16313 1 937 . 1 1 92 92 ILE HB H 1 1.372 0.05 . 1 . . . . 92 Ile HB . 16313 1 938 . 1 1 92 92 ILE HD11 H 1 0.893 0.05 . 1 . . . . 92 Ile HD1 . 16313 1 939 . 1 1 92 92 ILE HD12 H 1 0.893 0.05 . 1 . . . . 92 Ile HD1 . 16313 1 940 . 1 1 92 92 ILE HD13 H 1 0.893 0.05 . 1 . . . . 92 Ile HD1 . 16313 1 941 . 1 1 92 92 ILE HG12 H 1 1.783 0.05 . 2 . . . . 92 Ile HG12 . 16313 1 942 . 1 1 92 92 ILE HG13 H 1 0.778 0.05 . 2 . . . . 92 Ile HG13 . 16313 1 943 . 1 1 92 92 ILE HG21 H 1 0.472 0.05 . 1 . . . . 92 Ile HG2 . 16313 1 944 . 1 1 92 92 ILE HG22 H 1 0.472 0.05 . 1 . . . . 92 Ile HG2 . 16313 1 945 . 1 1 92 92 ILE HG23 H 1 0.472 0.05 . 1 . . . . 92 Ile HG2 . 16313 1 946 . 1 1 92 92 ILE C C 13 173.35 0.5 . 1 . . . . 92 Ile C . 16313 1 947 . 1 1 92 92 ILE CA C 13 61.38 0.5 . 1 . . . . 92 Ile CA . 16313 1 948 . 1 1 92 92 ILE CB C 13 40.04 0.5 . 1 . . . . 92 Ile CB . 16313 1 949 . 1 1 92 92 ILE CD1 C 13 16.59 0.5 . 1 . . . . 92 Ile CD1 . 16313 1 950 . 1 1 92 92 ILE CG1 C 13 27.43 0.5 . 1 . . . . 92 Ile CG1 . 16313 1 951 . 1 1 92 92 ILE CG2 C 13 18.25 0.5 . 1 . . . . 92 Ile CG2 . 16313 1 952 . 1 1 92 92 ILE N N 15 126.939 0.5 . 1 . . . . 92 Ile N . 16313 1 953 . 1 1 93 93 ILE H H 1 8.754 0.05 . 1 . . . . 93 Ile H . 16313 1 954 . 1 1 93 93 ILE HA H 1 3.744 0.05 . 1 . . . . 93 Ile HA . 16313 1 955 . 1 1 93 93 ILE HB H 1 1.538 0.05 . 1 . . . . 93 Ile HB . 16313 1 956 . 1 1 93 93 ILE HD11 H 1 0.707 0.05 . 1 . . . . 93 Ile HD1 . 16313 1 957 . 1 1 93 93 ILE HD12 H 1 0.707 0.05 . 1 . . . . 93 Ile HD1 . 16313 1 958 . 1 1 93 93 ILE HD13 H 1 0.707 0.05 . 1 . . . . 93 Ile HD1 . 16313 1 959 . 1 1 93 93 ILE HG12 H 1 1.171 0.05 . 2 . . . . 93 Ile HG12 . 16313 1 960 . 1 1 93 93 ILE HG13 H 1 0.807 0.05 . 2 . . . . 93 Ile HG13 . 16313 1 961 . 1 1 93 93 ILE HG21 H 1 0.682 0.05 . 1 . . . . 93 Ile HG2 . 16313 1 962 . 1 1 93 93 ILE HG22 H 1 0.682 0.05 . 1 . . . . 93 Ile HG2 . 16313 1 963 . 1 1 93 93 ILE HG23 H 1 0.682 0.05 . 1 . . . . 93 Ile HG2 . 16313 1 964 . 1 1 93 93 ILE C C 13 174.45 0.5 . 1 . . . . 93 Ile C . 16313 1 965 . 1 1 93 93 ILE CA C 13 60.48 0.5 . 1 . . . . 93 Ile CA . 16313 1 966 . 1 1 93 93 ILE CB C 13 41.25 0.5 . 1 . . . . 93 Ile CB . 16313 1 967 . 1 1 93 93 ILE CD1 C 13 14.06 0.5 . 1 . . . . 93 Ile CD1 . 16313 1 968 . 1 1 93 93 ILE CG1 C 13 28.19 0.5 . 1 . . . . 93 Ile CG1 . 16313 1 969 . 1 1 93 93 ILE CG2 C 13 18.0 0.5 . 1 . . . . 93 Ile CG2 . 16313 1 970 . 1 1 93 93 ILE N N 15 126.486 0.5 . 1 . . . . 93 Ile N . 16313 1 971 . 1 1 94 94 ASP H H 1 7.976 0.05 . 1 . . . . 94 Asp H . 16313 1 972 . 1 1 94 94 ASP HA H 1 4.881 0.05 . 1 . . . . 94 Asp HA . 16313 1 973 . 1 1 94 94 ASP HB2 H 1 2.955 0.05 . 2 . . . . 94 Asp HB2 . 16313 1 974 . 1 1 94 94 ASP HB3 H 1 2.305 0.05 . 2 . . . . 94 Asp HB3 . 16313 1 975 . 1 1 94 94 ASP C C 13 176.71 0.5 . 1 . . . . 94 Asp C . 16313 1 976 . 1 1 94 94 ASP CA C 13 52.170 0.5 . 1 . . . . 94 Asp CA . 16313 1 977 . 1 1 94 94 ASP CB C 13 42.0 0.5 . 1 . . . . 94 Asp CB . 16313 1 978 . 1 1 94 94 ASP N N 15 124.752 0.5 . 1 . . . . 94 Asp N . 16313 1 979 . 1 1 95 95 LEU H H 1 9.218 0.05 . 1 . . . . 95 Leu H . 16313 1 980 . 1 1 95 95 LEU HA H 1 4.111 0.05 . 1 . . . . 95 Leu HA . 16313 1 981 . 1 1 95 95 LEU HB2 H 1 1.561 0.05 . 2 . . . . 95 Leu HB2 . 16313 1 982 . 1 1 95 95 LEU HB3 H 1 1.561 0.05 . 2 . . . . 95 Leu HB3 . 16313 1 983 . 1 1 95 95 LEU HD11 H 1 0.7336 0.05 . 2 . . . . 95 Leu HD1 . 16313 1 984 . 1 1 95 95 LEU HD12 H 1 0.7336 0.05 . 2 . . . . 95 Leu HD1 . 16313 1 985 . 1 1 95 95 LEU HD13 H 1 0.7336 0.05 . 2 . . . . 95 Leu HD1 . 16313 1 986 . 1 1 95 95 LEU HD21 H 1 0.7336 0.05 . 2 . . . . 95 Leu HD2 . 16313 1 987 . 1 1 95 95 LEU HD22 H 1 0.7336 0.05 . 2 . . . . 95 Leu HD2 . 16313 1 988 . 1 1 95 95 LEU HD23 H 1 0.7336 0.05 . 2 . . . . 95 Leu HD2 . 16313 1 989 . 1 1 95 95 LEU HG H 1 0.746 0.05 . 1 . . . . 95 Leu HG . 16313 1 990 . 1 1 95 95 LEU C C 13 177.23 0.5 . 1 . . . . 95 Leu C . 16313 1 991 . 1 1 95 95 LEU CA C 13 55.553 0.5 . 1 . . . . 95 Leu CA . 16313 1 992 . 1 1 95 95 LEU CB C 13 42.38 0.5 . 1 . . . . 95 Leu CB . 16313 1 993 . 1 1 95 95 LEU CD1 C 13 22.19 0.5 . 2 . . . . 95 Leu CD1 . 16313 1 994 . 1 1 95 95 LEU CD2 C 13 22.19 0.5 . 2 . . . . 95 Leu CD2 . 16313 1 995 . 1 1 95 95 LEU CG C 13 25.61 0.5 . 1 . . . . 95 Leu CG . 16313 1 996 . 1 1 95 95 LEU N N 15 126.286 0.5 . 1 . . . . 95 Leu N . 16313 1 997 . 1 1 96 96 ASP H H 1 8.762 0.05 . 1 . . . . 96 Asp H . 16313 1 998 . 1 1 96 96 ASP HA H 1 4.946 0.05 . 1 . . . . 96 Asp HA . 16313 1 999 . 1 1 96 96 ASP HB2 H 1 2.73 0.05 . 2 . . . . 96 Asp HB2 . 16313 1 1000 . 1 1 96 96 ASP HB3 H 1 2.41 0.05 . 2 . . . . 96 Asp HB3 . 16313 1 1001 . 1 1 96 96 ASP CA C 13 52.598 0.5 . 1 . . . . 96 Asp CA . 16313 1 1002 . 1 1 96 96 ASP CB C 13 41.4 0.5 . 1 . . . . 96 Asp CB . 16313 1 1003 . 1 1 96 96 ASP N N 15 120.843 0.5 . 1 . . . . 96 Asp N . 16313 1 stop_ save_