data_17508 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17508 _Entry.Title ; Solution NMR Structure of RRM domain of RNA-binding protein FUS from homo sapiens, Northeast Structural Genomics onsortium Target HR6430A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-04 _Entry.Accession_date 2011-03-04 _Entry.Last_release_date 2011-05-02 _Entry.Original_release_date 2011-05-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaohua Liu . . . 17508 2 Rong Xiao . . . 17508 3 Haleema Janjua . . . 17508 4 Colleen Ciccosanti . . . 17508 5 Huang Wang . . . 17508 6 Hsiau-Wei Lee . . . 17508 7 Thomas Acton . B. . 17508 8 John Everett . K. . 17508 9 Yuanpeng Huang . J. . 17508 10 Gaetano Montelione . T. . 17508 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' . 17508 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 17508 'Protein NMR' . 17508 'Protein Structure Initiative' . 17508 PSI-2 . 17508 'RNA recognition' . 17508 'Structural Genomics' . 17508 'Target HR6430A' . 17508 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17508 RDCs 1 17508 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 17508 '15N chemical shifts' 90 17508 '1H chemical shifts' 620 17508 'residual dipolar couplings' 69 17508 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-02 2011-03-04 original author . 17508 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LA6 'BMRB Entry Tracking System' 17508 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17508 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Northeast Structural Genomics Consortium Target HR6430A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 Gaohua Liu . . . 17508 1 2 Rong Xiao . . . 17508 1 3 Haleema Janjua . . . 17508 1 4 Hsiau-Wei Lee . . . 17508 1 5 Colleen Ciccosanti . T. . 17508 1 6 Thomas Acton . B. . 17508 1 7 John Everett . K. . 17508 1 8 Yuanpeng Huang . J. . 17508 1 9 Gaetano Montelione . T. . 17508 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17508 _Assembly.ID 1 _Assembly.Name HR6430A _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 HR6430A 1 $HR6430A A . yes native no no . . . 17508 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR6430A _Entity.Sf_category entity _Entity.Sf_framecode HR6430A _Entity.Entry_ID 17508 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR6430A _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 ; MGHHHHHHSHSDNNTIFVQG LGENVTIESVADYFKQIGII KTNKKTGQPMINLYTDRETG KLKGEATVSFDDPPSAKAAI DWFDGKEFSGNPIKVSFAT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10970.295 _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 2LA6 . "Solution Nmr Structure Of Rrm Domain Of Rna-Binding Protein Fus From Homo Sapiens, Northeast Structural Genomics Consortium Tar" . . . . . 100.00 99 100.00 100.00 1.11e-65 . . . . 17508 1 2 no PDB 2LCW . "Solution Structure Of FusTLS RRM DOMAIN" . . . . . 90.91 116 98.89 100.00 2.06e-56 . . . . 17508 1 3 no GB EDL17618 . "fusion, derived from t(12;16) malignant liposarcoma (human), isoform CRA_d [Mus musculus]" . . . . . 50.51 205 100.00 100.00 4.57e-27 . . . . 17508 1 4 no GB EDM17203 . "rCG39872, isoform CRA_c [Rattus norvegicus]" . . . . . 50.51 205 100.00 100.00 4.53e-27 . . . . 17508 1 5 no GB EGW03250 . "RNA-binding protein FUS [Cricetulus griseus]" . . . . . 50.51 205 100.00 100.00 4.20e-27 . . . . 17508 1 6 no GB ELK10995 . "RNA-binding protein FUS [Pteropus alecto]" . . . . . 90.91 496 98.89 100.00 2.85e-57 . . . . 17508 1 7 no REF XP_004323165 . "PREDICTED: LOW QUALITY PROTEIN: RNA-binding protein FUS-like [Tursiops truncatus]" . . . . . 89.90 514 97.75 97.75 7.47e-55 . . . . 17508 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 . 17508 1 2 . GLY . 17508 1 3 . HIS . 17508 1 4 . HIS . 17508 1 5 . HIS . 17508 1 6 . HIS . 17508 1 7 . HIS . 17508 1 8 . HIS . 17508 1 9 . SER . 17508 1 10 . HIS . 17508 1 11 . SER . 17508 1 12 . ASP . 17508 1 13 . ASN . 17508 1 14 . ASN . 17508 1 15 . THR . 17508 1 16 . ILE . 17508 1 17 . PHE . 17508 1 18 . VAL . 17508 1 19 . GLN . 17508 1 20 . GLY . 17508 1 21 . LEU . 17508 1 22 . GLY . 17508 1 23 . GLU . 17508 1 24 . ASN . 17508 1 25 . VAL . 17508 1 26 . THR . 17508 1 27 . ILE . 17508 1 28 . GLU . 17508 1 29 . SER . 17508 1 30 . VAL . 17508 1 31 . ALA . 17508 1 32 . ASP . 17508 1 33 . TYR . 17508 1 34 . PHE . 17508 1 35 . LYS . 17508 1 36 . GLN . 17508 1 37 . ILE . 17508 1 38 . GLY . 17508 1 39 . ILE . 17508 1 40 . ILE . 17508 1 41 . LYS . 17508 1 42 . THR . 17508 1 43 . ASN . 17508 1 44 . LYS . 17508 1 45 . LYS . 17508 1 46 . THR . 17508 1 47 . GLY . 17508 1 48 . GLN . 17508 1 49 . PRO . 17508 1 50 . MET . 17508 1 51 . ILE . 17508 1 52 . ASN . 17508 1 53 . LEU . 17508 1 54 . TYR . 17508 1 55 . THR . 17508 1 56 . ASP . 17508 1 57 . ARG . 17508 1 58 . GLU . 17508 1 59 . THR . 17508 1 60 . GLY . 17508 1 61 . LYS . 17508 1 62 . LEU . 17508 1 63 . LYS . 17508 1 64 . GLY . 17508 1 65 . GLU . 17508 1 66 . ALA . 17508 1 67 . THR . 17508 1 68 . VAL . 17508 1 69 . SER . 17508 1 70 . PHE . 17508 1 71 . ASP . 17508 1 72 . ASP . 17508 1 73 . PRO . 17508 1 74 . PRO . 17508 1 75 . SER . 17508 1 76 . ALA . 17508 1 77 . LYS . 17508 1 78 . ALA . 17508 1 79 . ALA . 17508 1 80 . ILE . 17508 1 81 . ASP . 17508 1 82 . TRP . 17508 1 83 . PHE . 17508 1 84 . ASP . 17508 1 85 . GLY . 17508 1 86 . LYS . 17508 1 87 . GLU . 17508 1 88 . PHE . 17508 1 89 . SER . 17508 1 90 . GLY . 17508 1 91 . ASN . 17508 1 92 . PRO . 17508 1 93 . ILE . 17508 1 94 . LYS . 17508 1 95 . VAL . 17508 1 96 . SER . 17508 1 97 . PHE . 17508 1 98 . ALA . 17508 1 99 . THR . 17508 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 17508 1 . GLY 2 2 17508 1 . HIS 3 3 17508 1 . HIS 4 4 17508 1 . HIS 5 5 17508 1 . HIS 6 6 17508 1 . HIS 7 7 17508 1 . HIS 8 8 17508 1 . SER 9 9 17508 1 . HIS 10 10 17508 1 . SER 11 11 17508 1 . ASP 12 12 17508 1 . ASN 13 13 17508 1 . ASN 14 14 17508 1 . THR 15 15 17508 1 . ILE 16 16 17508 1 . PHE 17 17 17508 1 . VAL 18 18 17508 1 . GLN 19 19 17508 1 . GLY 20 20 17508 1 . LEU 21 21 17508 1 . GLY 22 22 17508 1 . GLU 23 23 17508 1 . ASN 24 24 17508 1 . VAL 25 25 17508 1 . THR 26 26 17508 1 . ILE 27 27 17508 1 . GLU 28 28 17508 1 . SER 29 29 17508 1 . VAL 30 30 17508 1 . ALA 31 31 17508 1 . ASP 32 32 17508 1 . TYR 33 33 17508 1 . PHE 34 34 17508 1 . LYS 35 35 17508 1 . GLN 36 36 17508 1 . ILE 37 37 17508 1 . GLY 38 38 17508 1 . ILE 39 39 17508 1 . ILE 40 40 17508 1 . LYS 41 41 17508 1 . THR 42 42 17508 1 . ASN 43 43 17508 1 . LYS 44 44 17508 1 . LYS 45 45 17508 1 . THR 46 46 17508 1 . GLY 47 47 17508 1 . GLN 48 48 17508 1 . PRO 49 49 17508 1 . MET 50 50 17508 1 . ILE 51 51 17508 1 . ASN 52 52 17508 1 . LEU 53 53 17508 1 . TYR 54 54 17508 1 . THR 55 55 17508 1 . ASP 56 56 17508 1 . ARG 57 57 17508 1 . GLU 58 58 17508 1 . THR 59 59 17508 1 . GLY 60 60 17508 1 . LYS 61 61 17508 1 . LEU 62 62 17508 1 . LYS 63 63 17508 1 . GLY 64 64 17508 1 . GLU 65 65 17508 1 . ALA 66 66 17508 1 . THR 67 67 17508 1 . VAL 68 68 17508 1 . SER 69 69 17508 1 . PHE 70 70 17508 1 . ASP 71 71 17508 1 . ASP 72 72 17508 1 . PRO 73 73 17508 1 . PRO 74 74 17508 1 . SER 75 75 17508 1 . ALA 76 76 17508 1 . LYS 77 77 17508 1 . ALA 78 78 17508 1 . ALA 79 79 17508 1 . ILE 80 80 17508 1 . ASP 81 81 17508 1 . TRP 82 82 17508 1 . PHE 83 83 17508 1 . ASP 84 84 17508 1 . GLY 85 85 17508 1 . LYS 86 86 17508 1 . GLU 87 87 17508 1 . PHE 88 88 17508 1 . SER 89 89 17508 1 . GLY 90 90 17508 1 . ASN 91 91 17508 1 . PRO 92 92 17508 1 . ILE 93 93 17508 1 . LYS 94 94 17508 1 . VAL 95 95 17508 1 . SER 96 96 17508 1 . PHE 97 97 17508 1 . ALA 98 98 17508 1 . THR 99 99 17508 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 17508 _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 $HR6430A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . ; RNA-binding protein FUS Alternative name(s): 75 kDa DNA-pairing protein Oncogene FUS Oncogene TLS POMp75 Translocated in liposarcoma protein ; . . 17508 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 17508 _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 $HR6430A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 14-15C' . . . . . . 17508 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 17508 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.83 mM [U-100% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O' _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 HR6430A '[U-100% 13C; U-100% 15N]' . . 1 $HR6430A . . 0.83 . . mM . . . . 17508 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17508 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17508 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17508 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17508 1 6 'Proteinase Inhibitor' 'natural abundance' . . . . . . 1 . . . . . . . 17508 1 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17508 1 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17508 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17508 1 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17508 1 stop_ save_ save_sample_NC5 _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5 _Sample.Entry_ID 17508 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.794 mM [U-5% 13C; U-100% 15N] HR6430A, 95% H2O/5% D2O' _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 HR6430A '[U-5% 13C; U-100% 15N]' . . 1 $HR6430A . . 0.794 . . mM . . . . 17508 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17508 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17508 2 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17508 2 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17508 2 6 'Proteinase Inhibitor' 'natural abundance' . . . . . . 1 . . . . . . . 17508 2 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17508 2 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17508 2 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17508 2 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17508 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17508 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 50uM DSS' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 17508 1 pressure 1 . atm 17508 1 temperature 298 . K 17508 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17508 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17508 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17508 1 refinement 17508 1 'structure solution' 17508 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17508 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17508 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17508 2 refinement 17508 2 'structure solution' 17508 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17508 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17508 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17508 3 refinement 17508 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17508 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17508 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17508 4 'data analysis' 17508 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17508 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17508 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17508 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17508 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17508 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17508 6 'data analysis' 17508 6 'peak picking' 17508 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17508 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17508 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17508 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17508 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17508 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17508 8 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17508 _Software.ID 9 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17508 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17508 9 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17508 _Software.ID 10 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 17508 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17508 10 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 17508 _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 17508 _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 17508 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17508 _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 . . . 17508 1 2 spectrometer_2 Varian INOVA . 600 . . . 17508 1 3 spectrometer_3 Varian INOVA . 600 . . . 17508 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 17508 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17508 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17508 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17508 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17508 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17508 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17508 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17508 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17508 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17508 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17508 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17508 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 17508 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17508 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17508 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17508 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 17508 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 3 '3D HNCO' . . . 17508 1 4 '3D CBCA(CO)NH' . . . 17508 1 5 '3D HNCACB' . . . 17508 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 17508 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 11 11 SER CA C 13 58.373 0.400 . 1 . . 1 . 11 SER CA . 17508 1 2 . 1 1 11 11 SER HA H 1 4.359 0.020 . 1 . . 1 . 11 SER HA . 17508 1 3 . 1 1 11 11 SER CB C 13 63.267 0.400 . 1 . . 1 . 11 SER CB . 17508 1 4 . 1 1 11 11 SER HB2 H 1 3.845 0.020 . 2 . . 1 . 11 SER HB2 . 17508 1 5 . 1 1 11 11 SER HB3 H 1 3.788 0.020 . 2 . . 1 . 11 SER HB3 . 17508 1 6 . 1 1 11 11 SER C C 13 173.819 0.400 . 1 . . 1 . 11 SER C . 17508 1 7 . 1 1 12 12 ASP N N 15 121.370 0.400 . 1 . . 1 . 12 ASP N . 17508 1 8 . 1 1 12 12 ASP H H 1 8.228 0.020 . 1 . . 1 . 12 ASP H . 17508 1 9 . 1 1 12 12 ASP CA C 13 53.736 0.400 . 1 . . 1 . 12 ASP CA . 17508 1 10 . 1 1 12 12 ASP HA H 1 4.603 0.020 . 1 . . 1 . 12 ASP HA . 17508 1 11 . 1 1 12 12 ASP CB C 13 41.011 0.400 . 1 . . 1 . 12 ASP CB . 17508 1 12 . 1 1 12 12 ASP HB2 H 1 2.665 0.020 . 2 . . 1 . 12 ASP HB2 . 17508 1 13 . 1 1 12 12 ASP HB3 H 1 2.624 0.020 . 2 . . 1 . 12 ASP HB3 . 17508 1 14 . 1 1 12 12 ASP C C 13 175.254 0.400 . 1 . . 1 . 12 ASP C . 17508 1 15 . 1 1 13 13 ASN N N 15 119.082 0.400 . 1 . . 1 . 13 ASN N . 17508 1 16 . 1 1 13 13 ASN H H 1 8.092 0.020 . 1 . . 1 . 13 ASN H . 17508 1 17 . 1 1 13 13 ASN CA C 13 53.237 0.400 . 1 . . 1 . 13 ASN CA . 17508 1 18 . 1 1 13 13 ASN HA H 1 4.617 0.020 . 1 . . 1 . 13 ASN HA . 17508 1 19 . 1 1 13 13 ASN CB C 13 38.302 0.400 . 1 . . 1 . 13 ASN CB . 17508 1 20 . 1 1 13 13 ASN HB2 H 1 2.526 0.020 . 2 . . 1 . 13 ASN HB2 . 17508 1 21 . 1 1 13 13 ASN HB3 H 1 2.714 0.020 . 2 . . 1 . 13 ASN HB3 . 17508 1 22 . 1 1 13 13 ASN ND2 N 15 110.912 0.400 . 1 . . 1 . 13 ASN ND2 . 17508 1 23 . 1 1 13 13 ASN HD21 H 1 7.019 0.020 . 2 . . 1 . 13 ASN HD21 . 17508 1 24 . 1 1 13 13 ASN HD22 H 1 7.268 0.020 . 2 . . 1 . 13 ASN HD22 . 17508 1 25 . 1 1 13 13 ASN C C 13 174.172 0.400 . 1 . . 1 . 13 ASN C . 17508 1 26 . 1 1 14 14 ASN N N 15 118.497 0.400 . 1 . . 1 . 14 ASN N . 17508 1 27 . 1 1 14 14 ASN H H 1 8.390 0.020 . 1 . . 1 . 14 ASN H . 17508 1 28 . 1 1 14 14 ASN CA C 13 52.973 0.400 . 1 . . 1 . 14 ASN CA . 17508 1 29 . 1 1 14 14 ASN HA H 1 4.898 0.020 . 1 . . 1 . 14 ASN HA . 17508 1 30 . 1 1 14 14 ASN CB C 13 38.338 0.400 . 1 . . 1 . 14 ASN CB . 17508 1 31 . 1 1 14 14 ASN HB2 H 1 3.491 0.020 . 2 . . 1 . 14 ASN HB2 . 17508 1 32 . 1 1 14 14 ASN HB3 H 1 2.519 0.020 . 2 . . 1 . 14 ASN HB3 . 17508 1 33 . 1 1 14 14 ASN ND2 N 15 112.953 0.400 . 1 . . 1 . 14 ASN ND2 . 17508 1 34 . 1 1 14 14 ASN HD21 H 1 7.928 0.020 . 2 . . 1 . 14 ASN HD21 . 17508 1 35 . 1 1 14 14 ASN HD22 H 1 7.208 0.020 . 2 . . 1 . 14 ASN HD22 . 17508 1 36 . 1 1 14 14 ASN C C 13 174.942 0.400 . 1 . . 1 . 14 ASN C . 17508 1 37 . 1 1 15 15 THR N N 15 118.651 0.400 . 1 . . 1 . 15 THR N . 17508 1 38 . 1 1 15 15 THR H H 1 8.455 0.020 . 1 . . 1 . 15 THR H . 17508 1 39 . 1 1 15 15 THR CA C 13 61.970 0.400 . 1 . . 1 . 15 THR CA . 17508 1 40 . 1 1 15 15 THR HA H 1 5.536 0.020 . 1 . . 1 . 15 THR HA . 17508 1 41 . 1 1 15 15 THR CB C 13 70.917 0.400 . 1 . . 1 . 15 THR CB . 17508 1 42 . 1 1 15 15 THR HB H 1 4.129 0.020 . 1 . . 1 . 15 THR HB . 17508 1 43 . 1 1 15 15 THR CG2 C 13 20.929 0.400 . 1 . . 1 . 15 THR CG2 . 17508 1 44 . 1 1 15 15 THR HG21 H 1 1.156 0.020 . 1 . . 1 . 15 THR HG21 . 17508 1 45 . 1 1 15 15 THR HG22 H 1 1.156 0.020 . 1 . . 1 . 15 THR HG22 . 17508 1 46 . 1 1 15 15 THR HG23 H 1 1.156 0.020 . 1 . . 1 . 15 THR HG23 . 17508 1 47 . 1 1 15 15 THR C C 13 173.486 0.400 . 1 . . 1 . 15 THR C . 17508 1 48 . 1 1 16 16 ILE N N 15 118.715 0.400 . 1 . . 1 . 16 ILE N . 17508 1 49 . 1 1 16 16 ILE H H 1 8.813 0.020 . 1 . . 1 . 16 ILE H . 17508 1 50 . 1 1 16 16 ILE CA C 13 59.047 0.400 . 1 . . 1 . 16 ILE CA . 17508 1 51 . 1 1 16 16 ILE HA H 1 5.183 0.020 . 1 . . 1 . 16 ILE HA . 17508 1 52 . 1 1 16 16 ILE CB C 13 39.621 0.400 . 1 . . 1 . 16 ILE CB . 17508 1 53 . 1 1 16 16 ILE HB H 1 1.858 0.020 . 1 . . 1 . 16 ILE HB . 17508 1 54 . 1 1 16 16 ILE CG2 C 13 18.727 0.400 . 1 . . 1 . 16 ILE CG2 . 17508 1 55 . 1 1 16 16 ILE HG21 H 1 0.830 0.020 . 1 . . 1 . 16 ILE HG21 . 17508 1 56 . 1 1 16 16 ILE HG22 H 1 0.830 0.020 . 1 . . 1 . 16 ILE HG22 . 17508 1 57 . 1 1 16 16 ILE HG23 H 1 0.830 0.020 . 1 . . 1 . 16 ILE HG23 . 17508 1 58 . 1 1 16 16 ILE CG1 C 13 26.039 0.400 . 1 . . 1 . 16 ILE CG1 . 17508 1 59 . 1 1 16 16 ILE HG12 H 1 1.289 0.020 . 2 . . 1 . 16 ILE HG12 . 17508 1 60 . 1 1 16 16 ILE HG13 H 1 1.218 0.020 . 2 . . 1 . 16 ILE HG13 . 17508 1 61 . 1 1 16 16 ILE CD1 C 13 13.477 0.400 . 1 . . 1 . 16 ILE CD1 . 17508 1 62 . 1 1 16 16 ILE HD11 H 1 0.256 0.020 . 1 . . 1 . 16 ILE HD11 . 17508 1 63 . 1 1 16 16 ILE HD12 H 1 0.256 0.020 . 1 . . 1 . 16 ILE HD12 . 17508 1 64 . 1 1 16 16 ILE HD13 H 1 0.256 0.020 . 1 . . 1 . 16 ILE HD13 . 17508 1 65 . 1 1 16 16 ILE C C 13 173.444 0.400 . 1 . . 1 . 16 ILE C . 17508 1 66 . 1 1 17 17 PHE N N 15 123.742 0.400 . 1 . . 1 . 17 PHE N . 17508 1 67 . 1 1 17 17 PHE H H 1 9.540 0.020 . 1 . . 1 . 17 PHE H . 17508 1 68 . 1 1 17 17 PHE CA C 13 55.055 0.400 . 1 . . 1 . 17 PHE CA . 17508 1 69 . 1 1 17 17 PHE HA H 1 5.406 0.020 . 1 . . 1 . 17 PHE HA . 17508 1 70 . 1 1 17 17 PHE CB C 13 41.617 0.400 . 1 . . 1 . 17 PHE CB . 17508 1 71 . 1 1 17 17 PHE HB2 H 1 2.820 0.020 . 2 . . 1 . 17 PHE HB2 . 17508 1 72 . 1 1 17 17 PHE HB3 H 1 2.709 0.020 . 2 . . 1 . 17 PHE HB3 . 17508 1 73 . 1 1 17 17 PHE CD1 C 13 131.484 0.400 . 1 . . 1 . 17 PHE CD1 . 17508 1 74 . 1 1 17 17 PHE HD1 H 1 7.109 0.020 . 1 . . 1 . 17 PHE HD1 . 17508 1 75 . 1 1 17 17 PHE CE1 C 13 131.287 0.400 . 1 . . 1 . 17 PHE CE1 . 17508 1 76 . 1 1 17 17 PHE HE1 H 1 7.014 0.020 . 1 . . 1 . 17 PHE HE1 . 17508 1 77 . 1 1 17 17 PHE CZ C 13 129.398 0.400 . 1 . . 1 . 17 PHE CZ . 17508 1 78 . 1 1 17 17 PHE HZ H 1 7.034 0.020 . 1 . . 1 . 17 PHE HZ . 17508 1 79 . 1 1 17 17 PHE CE2 C 13 131.058 0.400 . 1 . . 1 . 17 PHE CE2 . 17508 1 80 . 1 1 17 17 PHE HE2 H 1 7.014 0.020 . 1 . . 1 . 17 PHE HE2 . 17508 1 81 . 1 1 17 17 PHE CD2 C 13 131.378 0.400 . 1 . . 1 . 17 PHE CD2 . 17508 1 82 . 1 1 17 17 PHE HD2 H 1 7.109 0.020 . 1 . . 1 . 17 PHE HD2 . 17508 1 83 . 1 1 17 17 PHE C C 13 173.340 0.400 . 1 . . 1 . 17 PHE C . 17508 1 84 . 1 1 18 18 VAL N N 15 127.849 0.400 . 1 . . 1 . 18 VAL N . 17508 1 85 . 1 1 18 18 VAL H H 1 8.936 0.020 . 1 . . 1 . 18 VAL H . 17508 1 86 . 1 1 18 18 VAL CA C 13 59.546 0.400 . 1 . . 1 . 18 VAL CA . 17508 1 87 . 1 1 18 18 VAL HA H 1 4.958 0.020 . 1 . . 1 . 18 VAL HA . 17508 1 88 . 1 1 18 18 VAL CB C 13 34.488 0.400 . 1 . . 1 . 18 VAL CB . 17508 1 89 . 1 1 18 18 VAL HB H 1 1.637 0.020 . 1 . . 1 . 18 VAL HB . 17508 1 90 . 1 1 18 18 VAL CG1 C 13 22.072 0.400 . 1 . . 1 . 18 VAL CG1 . 17508 1 91 . 1 1 18 18 VAL HG11 H 1 0.870 0.020 . 2 . . 1 . 18 VAL HG11 . 17508 1 92 . 1 1 18 18 VAL HG12 H 1 0.870 0.020 . 2 . . 1 . 18 VAL HG12 . 17508 1 93 . 1 1 18 18 VAL HG13 H 1 0.870 0.020 . 2 . . 1 . 18 VAL HG13 . 17508 1 94 . 1 1 18 18 VAL CG2 C 13 21.302 0.400 . 1 . . 1 . 18 VAL CG2 . 17508 1 95 . 1 1 18 18 VAL HG21 H 1 0.672 0.020 . 2 . . 1 . 18 VAL HG21 . 17508 1 96 . 1 1 18 18 VAL HG22 H 1 0.672 0.020 . 2 . . 1 . 18 VAL HG22 . 17508 1 97 . 1 1 18 18 VAL HG23 H 1 0.672 0.020 . 2 . . 1 . 18 VAL HG23 . 17508 1 98 . 1 1 18 18 VAL C C 13 173.382 0.400 . 1 . . 1 . 18 VAL C . 17508 1 99 . 1 1 19 19 GLN N N 15 122.180 0.400 . 1 . . 1 . 19 GLN N . 17508 1 100 . 1 1 19 19 GLN H H 1 8.724 0.020 . 1 . . 1 . 19 GLN H . 17508 1 101 . 1 1 19 19 GLN CA C 13 53.701 0.400 . 1 . . 1 . 19 GLN CA . 17508 1 102 . 1 1 19 19 GLN HA H 1 4.758 0.020 . 1 . . 1 . 19 GLN HA . 17508 1 103 . 1 1 19 19 GLN CB C 13 33.989 0.400 . 1 . . 1 . 19 GLN CB . 17508 1 104 . 1 1 19 19 GLN HB2 H 1 2.112 0.020 . 2 . . 1 . 19 GLN HB2 . 17508 1 105 . 1 1 19 19 GLN HB3 H 1 1.759 0.020 . 2 . . 1 . 19 GLN HB3 . 17508 1 106 . 1 1 19 19 GLN CG C 13 35.048 0.400 . 1 . . 1 . 19 GLN CG . 17508 1 107 . 1 1 19 19 GLN HG2 H 1 1.974 0.020 . 2 . . 1 . 19 GLN HG2 . 17508 1 108 . 1 1 19 19 GLN HG3 H 1 1.647 0.020 . 2 . . 1 . 19 GLN HG3 . 17508 1 109 . 1 1 19 19 GLN NE2 N 15 113.516 0.400 . 1 . . 1 . 19 GLN NE2 . 17508 1 110 . 1 1 19 19 GLN HE21 H 1 7.948 0.020 . 2 . . 1 . 19 GLN HE21 . 17508 1 111 . 1 1 19 19 GLN HE22 H 1 7.009 0.020 . 2 . . 1 . 19 GLN HE22 . 17508 1 112 . 1 1 19 19 GLN C C 13 174.713 0.400 . 1 . . 1 . 19 GLN C . 17508 1 113 . 1 1 20 20 GLY N N 15 109.032 0.400 . 1 . . 1 . 20 GLY N . 17508 1 114 . 1 1 20 20 GLY H H 1 8.213 0.020 . 1 . . 1 . 20 GLY H . 17508 1 115 . 1 1 20 20 GLY CA C 13 45.075 0.400 . 1 . . 1 . 20 GLY CA . 17508 1 116 . 1 1 20 20 GLY HA2 H 1 3.736 0.020 . 2 . . 1 . 20 GLY HA2 . 17508 1 117 . 1 1 20 20 GLY HA3 H 1 4.531 0.020 . 2 . . 1 . 20 GLY HA3 . 17508 1 118 . 1 1 20 20 GLY C C 13 174.921 0.400 . 1 . . 1 . 20 GLY C . 17508 1 119 . 1 1 21 21 LEU N N 15 117.629 0.400 . 1 . . 1 . 21 LEU N . 17508 1 120 . 1 1 21 21 LEU H H 1 8.468 0.020 . 1 . . 1 . 21 LEU H . 17508 1 121 . 1 1 21 21 LEU CA C 13 55.376 0.400 . 1 . . 1 . 21 LEU CA . 17508 1 122 . 1 1 21 21 LEU HA H 1 3.690 0.020 . 1 . . 1 . 21 LEU HA . 17508 1 123 . 1 1 21 21 LEU CB C 13 42.222 0.400 . 1 . . 1 . 21 LEU CB . 17508 1 124 . 1 1 21 21 LEU HB2 H 1 1.156 0.020 . 2 . . 1 . 21 LEU HB2 . 17508 1 125 . 1 1 21 21 LEU HB3 H 1 1.154 0.020 . 2 . . 1 . 21 LEU HB3 . 17508 1 126 . 1 1 21 21 LEU CG C 13 26.054 0.400 . 1 . . 1 . 21 LEU CG . 17508 1 127 . 1 1 21 21 LEU HG H 1 1.101 0.020 . 1 . . 1 . 21 LEU HG . 17508 1 128 . 1 1 21 21 LEU CD1 C 13 26.054 0.400 . 1 . . 1 . 21 LEU CD1 . 17508 1 129 . 1 1 21 21 LEU HD11 H 1 0.281 0.020 . 2 . . 1 . 21 LEU HD11 . 17508 1 130 . 1 1 21 21 LEU HD12 H 1 0.281 0.020 . 2 . . 1 . 21 LEU HD12 . 17508 1 131 . 1 1 21 21 LEU HD13 H 1 0.281 0.020 . 2 . . 1 . 21 LEU HD13 . 17508 1 132 . 1 1 21 21 LEU CD2 C 13 21.306 0.400 . 1 . . 1 . 21 LEU CD2 . 17508 1 133 . 1 1 21 21 LEU HD21 H 1 -0.186 0.020 . 2 . . 1 . 21 LEU HD21 . 17508 1 134 . 1 1 21 21 LEU HD22 H 1 -0.186 0.020 . 2 . . 1 . 21 LEU HD22 . 17508 1 135 . 1 1 21 21 LEU HD23 H 1 -0.186 0.020 . 2 . . 1 . 21 LEU HD23 . 17508 1 136 . 1 1 21 21 LEU C C 13 176.190 0.400 . 1 . . 1 . 21 LEU C . 17508 1 137 . 1 1 22 22 GLY N N 15 104.722 0.400 . 1 . . 1 . 22 GLY N . 17508 1 138 . 1 1 22 22 GLY H H 1 7.995 0.020 . 1 . . 1 . 22 GLY H . 17508 1 139 . 1 1 22 22 GLY CA C 13 43.684 0.400 . 1 . . 1 . 22 GLY CA . 17508 1 140 . 1 1 22 22 GLY HA2 H 1 3.775 0.020 . 2 . . 1 . 22 GLY HA2 . 17508 1 141 . 1 1 22 22 GLY HA3 H 1 4.107 0.020 . 2 . . 1 . 22 GLY HA3 . 17508 1 142 . 1 1 22 22 GLY C C 13 172.550 0.400 . 1 . . 1 . 22 GLY C . 17508 1 143 . 1 1 23 23 GLU N N 15 113.440 0.400 . 1 . . 1 . 23 GLU N . 17508 1 144 . 1 1 23 23 GLU H H 1 8.114 0.020 . 1 . . 1 . 23 GLU H . 17508 1 145 . 1 1 23 23 GLU CA C 13 56.909 0.400 . 1 . . 1 . 23 GLU CA . 17508 1 146 . 1 1 23 23 GLU HA H 1 4.113 0.020 . 1 . . 1 . 23 GLU HA . 17508 1 147 . 1 1 23 23 GLU CB C 13 30.218 0.400 . 1 . . 1 . 23 GLU CB . 17508 1 148 . 1 1 23 23 GLU HB2 H 1 2.004 0.020 . 2 . . 1 . 23 GLU HB2 . 17508 1 149 . 1 1 23 23 GLU HB3 H 1 2.059 0.020 . 2 . . 1 . 23 GLU HB3 . 17508 1 150 . 1 1 23 23 GLU CG C 13 35.845 0.400 . 1 . . 1 . 23 GLU CG . 17508 1 151 . 1 1 23 23 GLU HG2 H 1 2.336 0.020 . 2 . . 1 . 23 GLU HG2 . 17508 1 152 . 1 1 23 23 GLU HG3 H 1 2.252 0.020 . 2 . . 1 . 23 GLU HG3 . 17508 1 153 . 1 1 23 23 GLU C C 13 176.398 0.400 . 1 . . 1 . 23 GLU C . 17508 1 154 . 1 1 24 24 ASN N N 15 116.515 0.400 . 1 . . 1 . 24 ASN N . 17508 1 155 . 1 1 24 24 ASN H H 1 8.390 0.020 . 1 . . 1 . 24 ASN H . 17508 1 156 . 1 1 24 24 ASN CA C 13 52.061 0.400 . 1 . . 1 . 24 ASN CA . 17508 1 157 . 1 1 24 24 ASN HA H 1 4.946 0.020 . 1 . . 1 . 24 ASN HA . 17508 1 158 . 1 1 24 24 ASN CB C 13 38.338 0.400 . 1 . . 1 . 24 ASN CB . 17508 1 159 . 1 1 24 24 ASN HB2 H 1 2.910 0.020 . 2 . . 1 . 24 ASN HB2 . 17508 1 160 . 1 1 24 24 ASN HB3 H 1 2.721 0.020 . 2 . . 1 . 24 ASN HB3 . 17508 1 161 . 1 1 24 24 ASN ND2 N 15 113.382 0.400 . 1 . . 1 . 24 ASN ND2 . 17508 1 162 . 1 1 24 24 ASN HD21 H 1 6.995 0.020 . 2 . . 1 . 24 ASN HD21 . 17508 1 163 . 1 1 24 24 ASN HD22 H 1 7.630 0.020 . 2 . . 1 . 24 ASN HD22 . 17508 1 164 . 1 1 24 24 ASN C C 13 174.443 0.400 . 1 . . 1 . 24 ASN C . 17508 1 165 . 1 1 25 25 VAL N N 15 118.188 0.400 . 1 . . 1 . 25 VAL N . 17508 1 166 . 1 1 25 25 VAL H H 1 6.842 0.020 . 1 . . 1 . 25 VAL H . 17508 1 167 . 1 1 25 25 VAL CA C 13 61.578 0.400 . 1 . . 1 . 25 VAL CA . 17508 1 168 . 1 1 25 25 VAL HA H 1 4.148 0.020 . 1 . . 1 . 25 VAL HA . 17508 1 169 . 1 1 25 25 VAL CB C 13 32.180 0.400 . 1 . . 1 . 25 VAL CB . 17508 1 170 . 1 1 25 25 VAL HB H 1 1.992 0.020 . 1 . . 1 . 25 VAL HB . 17508 1 171 . 1 1 25 25 VAL CG1 C 13 21.068 0.400 . 1 . . 1 . 25 VAL CG1 . 17508 1 172 . 1 1 25 25 VAL HG11 H 1 0.792 0.020 . 2 . . 1 . 25 VAL HG11 . 17508 1 173 . 1 1 25 25 VAL HG12 H 1 0.792 0.020 . 2 . . 1 . 25 VAL HG12 . 17508 1 174 . 1 1 25 25 VAL HG13 H 1 0.792 0.020 . 2 . . 1 . 25 VAL HG13 . 17508 1 175 . 1 1 25 25 VAL CG2 C 13 22.472 0.400 . 1 . . 1 . 25 VAL CG2 . 17508 1 176 . 1 1 25 25 VAL HG21 H 1 0.818 0.020 . 2 . . 1 . 25 VAL HG21 . 17508 1 177 . 1 1 25 25 VAL HG22 H 1 0.818 0.020 . 2 . . 1 . 25 VAL HG22 . 17508 1 178 . 1 1 25 25 VAL HG23 H 1 0.818 0.020 . 2 . . 1 . 25 VAL HG23 . 17508 1 179 . 1 1 25 25 VAL C C 13 172.633 0.400 . 1 . . 1 . 25 VAL C . 17508 1 180 . 1 1 26 26 THR N N 15 111.477 0.400 . 1 . . 1 . 26 THR N . 17508 1 181 . 1 1 26 26 THR H H 1 7.302 0.020 . 1 . . 1 . 26 THR H . 17508 1 182 . 1 1 26 26 THR CA C 13 58.370 0.400 . 1 . . 1 . 26 THR CA . 17508 1 183 . 1 1 26 26 THR HA H 1 4.717 0.020 . 1 . . 1 . 26 THR HA . 17508 1 184 . 1 1 26 26 THR CB C 13 72.735 0.400 . 1 . . 1 . 26 THR CB . 17508 1 185 . 1 1 26 26 THR HB H 1 4.683 0.020 . 1 . . 1 . 26 THR HB . 17508 1 186 . 1 1 26 26 THR CG2 C 13 21.582 0.400 . 1 . . 1 . 26 THR CG2 . 17508 1 187 . 1 1 26 26 THR HG21 H 1 1.265 0.020 . 1 . . 1 . 26 THR HG21 . 17508 1 188 . 1 1 26 26 THR HG22 H 1 1.265 0.020 . 1 . . 1 . 26 THR HG22 . 17508 1 189 . 1 1 26 26 THR HG23 H 1 1.265 0.020 . 1 . . 1 . 26 THR HG23 . 17508 1 190 . 1 1 26 26 THR C C 13 174.983 0.400 . 1 . . 1 . 26 THR C . 17508 1 191 . 1 1 27 27 ILE N N 15 122.122 0.400 . 1 . . 1 . 27 ILE N . 17508 1 192 . 1 1 27 27 ILE H H 1 9.071 0.020 . 1 . . 1 . 27 ILE H . 17508 1 193 . 1 1 27 27 ILE CA C 13 65.320 0.400 . 1 . . 1 . 27 ILE CA . 17508 1 194 . 1 1 27 27 ILE HA H 1 3.513 0.020 . 1 . . 1 . 27 ILE HA . 17508 1 195 . 1 1 27 27 ILE CB C 13 37.410 0.400 . 1 . . 1 . 27 ILE CB . 17508 1 196 . 1 1 27 27 ILE HB H 1 1.866 0.020 . 1 . . 1 . 27 ILE HB . 17508 1 197 . 1 1 27 27 ILE CG2 C 13 16.986 0.400 . 1 . . 1 . 27 ILE CG2 . 17508 1 198 . 1 1 27 27 ILE HG21 H 1 0.928 0.020 . 1 . . 1 . 27 ILE HG21 . 17508 1 199 . 1 1 27 27 ILE HG22 H 1 0.928 0.020 . 1 . . 1 . 27 ILE HG22 . 17508 1 200 . 1 1 27 27 ILE HG23 H 1 0.928 0.020 . 1 . . 1 . 27 ILE HG23 . 17508 1 201 . 1 1 27 27 ILE CG1 C 13 28.794 0.400 . 1 . . 1 . 27 ILE CG1 . 17508 1 202 . 1 1 27 27 ILE HG12 H 1 1.658 0.020 . 2 . . 1 . 27 ILE HG12 . 17508 1 203 . 1 1 27 27 ILE HG13 H 1 1.160 0.020 . 2 . . 1 . 27 ILE HG13 . 17508 1 204 . 1 1 27 27 ILE CD1 C 13 12.611 0.400 . 1 . . 1 . 27 ILE CD1 . 17508 1 205 . 1 1 27 27 ILE HD11 H 1 0.948 0.020 . 1 . . 1 . 27 ILE HD11 . 17508 1 206 . 1 1 27 27 ILE HD12 H 1 0.948 0.020 . 1 . . 1 . 27 ILE HD12 . 17508 1 207 . 1 1 27 27 ILE HD13 H 1 0.948 0.020 . 1 . . 1 . 27 ILE HD13 . 17508 1 208 . 1 1 27 27 ILE C C 13 177.125 0.400 . 1 . . 1 . 27 ILE C . 17508 1 209 . 1 1 28 28 GLU N N 15 118.072 0.400 . 1 . . 1 . 28 GLU N . 17508 1 210 . 1 1 28 28 GLU H H 1 8.800 0.020 . 1 . . 1 . 28 GLU H . 17508 1 211 . 1 1 28 28 GLU CA C 13 60.183 0.400 . 1 . . 1 . 28 GLU CA . 17508 1 212 . 1 1 28 28 GLU HA H 1 3.981 0.020 . 1 . . 1 . 28 GLU HA . 17508 1 213 . 1 1 28 28 GLU CB C 13 28.535 0.400 . 1 . . 1 . 28 GLU CB . 17508 1 214 . 1 1 28 28 GLU HB2 H 1 2.076 0.020 . 2 . . 1 . 28 GLU HB2 . 17508 1 215 . 1 1 28 28 GLU HB3 H 1 1.977 0.020 . 2 . . 1 . 28 GLU HB3 . 17508 1 216 . 1 1 28 28 GLU CG C 13 36.840 0.400 . 1 . . 1 . 28 GLU CG . 17508 1 217 . 1 1 28 28 GLU HG2 H 1 2.263 0.020 . 2 . . 1 . 28 GLU HG2 . 17508 1 218 . 1 1 28 28 GLU HG3 H 1 2.466 0.020 . 2 . . 1 . 28 GLU HG3 . 17508 1 219 . 1 1 28 28 GLU C C 13 178.498 0.400 . 1 . . 1 . 28 GLU C . 17508 1 220 . 1 1 29 29 SER N N 15 115.789 0.400 . 1 . . 1 . 29 SER N . 17508 1 221 . 1 1 29 29 SER H H 1 8.229 0.020 . 1 . . 1 . 29 SER H . 17508 1 222 . 1 1 29 29 SER CA C 13 61.007 0.400 . 1 . . 1 . 29 SER CA . 17508 1 223 . 1 1 29 29 SER HA H 1 4.385 0.020 . 1 . . 1 . 29 SER HA . 17508 1 224 . 1 1 29 29 SER CB C 13 62.576 0.400 . 1 . . 1 . 29 SER CB . 17508 1 225 . 1 1 29 29 SER HB2 H 1 4.007 0.020 . 2 . . 1 . 29 SER HB2 . 17508 1 226 . 1 1 29 29 SER HB3 H 1 4.077 0.020 . 2 . . 1 . 29 SER HB3 . 17508 1 227 . 1 1 29 29 SER C C 13 177.853 0.400 . 1 . . 1 . 29 SER C . 17508 1 228 . 1 1 30 30 VAL N N 15 124.773 0.400 . 1 . . 1 . 30 VAL N . 17508 1 229 . 1 1 30 30 VAL H H 1 7.970 0.020 . 1 . . 1 . 30 VAL H . 17508 1 230 . 1 1 30 30 VAL CA C 13 66.889 0.400 . 1 . . 1 . 30 VAL CA . 17508 1 231 . 1 1 30 30 VAL HA H 1 3.746 0.020 . 1 . . 1 . 30 VAL HA . 17508 1 232 . 1 1 30 30 VAL CB C 13 31.351 0.400 . 1 . . 1 . 30 VAL CB . 17508 1 233 . 1 1 30 30 VAL HB H 1 2.192 0.020 . 1 . . 1 . 30 VAL HB . 17508 1 234 . 1 1 30 30 VAL CG1 C 13 22.509 0.400 . 1 . . 1 . 30 VAL CG1 . 17508 1 235 . 1 1 30 30 VAL HG11 H 1 0.841 0.020 . 2 . . 1 . 30 VAL HG11 . 17508 1 236 . 1 1 30 30 VAL HG12 H 1 0.841 0.020 . 2 . . 1 . 30 VAL HG12 . 17508 1 237 . 1 1 30 30 VAL HG13 H 1 0.841 0.020 . 2 . . 1 . 30 VAL HG13 . 17508 1 238 . 1 1 30 30 VAL CG2 C 13 24.204 0.400 . 1 . . 1 . 30 VAL CG2 . 17508 1 239 . 1 1 30 30 VAL HG21 H 1 0.847 0.020 . 2 . . 1 . 30 VAL HG21 . 17508 1 240 . 1 1 30 30 VAL HG22 H 1 0.847 0.020 . 2 . . 1 . 30 VAL HG22 . 17508 1 241 . 1 1 30 30 VAL HG23 H 1 0.847 0.020 . 2 . . 1 . 30 VAL HG23 . 17508 1 242 . 1 1 30 30 VAL C C 13 177.271 0.400 . 1 . . 1 . 30 VAL C . 17508 1 243 . 1 1 31 31 ALA N N 15 123.105 0.400 . 1 . . 1 . 31 ALA N . 17508 1 244 . 1 1 31 31 ALA H H 1 8.704 0.020 . 1 . . 1 . 31 ALA H . 17508 1 245 . 1 1 31 31 ALA CA C 13 55.517 0.400 . 1 . . 1 . 31 ALA CA . 17508 1 246 . 1 1 31 31 ALA HA H 1 3.891 0.020 . 1 . . 1 . 31 ALA HA . 17508 1 247 . 1 1 31 31 ALA CB C 13 17.520 0.400 . 1 . . 1 . 31 ALA CB . 17508 1 248 . 1 1 31 31 ALA HB1 H 1 1.463 0.020 . 1 . . 1 . 31 ALA HB1 . 17508 1 249 . 1 1 31 31 ALA HB2 H 1 1.463 0.020 . 1 . . 1 . 31 ALA HB2 . 17508 1 250 . 1 1 31 31 ALA HB3 H 1 1.463 0.020 . 1 . . 1 . 31 ALA HB3 . 17508 1 251 . 1 1 31 31 ALA C C 13 179.288 0.400 . 1 . . 1 . 31 ALA C . 17508 1 252 . 1 1 32 32 ASP N N 15 115.329 0.400 . 1 . . 1 . 32 ASP N . 17508 1 253 . 1 1 32 32 ASP H H 1 8.312 0.020 . 1 . . 1 . 32 ASP H . 17508 1 254 . 1 1 32 32 ASP CA C 13 56.979 0.400 . 1 . . 1 . 32 ASP CA . 17508 1 255 . 1 1 32 32 ASP HA H 1 4.303 0.020 . 1 . . 1 . 32 ASP HA . 17508 1 256 . 1 1 32 32 ASP CB C 13 40.868 0.400 . 1 . . 1 . 32 ASP CB . 17508 1 257 . 1 1 32 32 ASP HB2 H 1 2.755 0.020 . 2 . . 1 . 32 ASP HB2 . 17508 1 258 . 1 1 32 32 ASP HB3 H 1 2.622 0.020 . 2 . . 1 . 32 ASP HB3 . 17508 1 259 . 1 1 32 32 ASP C C 13 177.209 0.400 . 1 . . 1 . 32 ASP C . 17508 1 260 . 1 1 33 33 TYR N N 15 119.113 0.400 . 1 . . 1 . 33 TYR N . 17508 1 261 . 1 1 33 33 TYR H H 1 7.529 0.020 . 1 . . 1 . 33 TYR H . 17508 1 262 . 1 1 33 33 TYR CA C 13 60.734 0.400 . 1 . . 1 . 33 TYR CA . 17508 1 263 . 1 1 33 33 TYR HA H 1 4.201 0.020 . 1 . . 1 . 33 TYR HA . 17508 1 264 . 1 1 33 33 TYR CB C 13 39.799 0.400 . 1 . . 1 . 33 TYR CB . 17508 1 265 . 1 1 33 33 TYR HB2 H 1 3.092 0.020 . 2 . . 1 . 33 TYR HB2 . 17508 1 266 . 1 1 33 33 TYR HB3 H 1 2.817 0.020 . 2 . . 1 . 33 TYR HB3 . 17508 1 267 . 1 1 33 33 TYR CD1 C 13 132.413 0.400 . 1 . . 1 . 33 TYR CD1 . 17508 1 268 . 1 1 33 33 TYR HD1 H 1 5.845 0.020 . 1 . . 1 . 33 TYR HD1 . 17508 1 269 . 1 1 33 33 TYR CE1 C 13 119.058 0.400 . 1 . . 1 . 33 TYR CE1 . 17508 1 270 . 1 1 33 33 TYR HE1 H 1 6.220 0.020 . 1 . . 1 . 33 TYR HE1 . 17508 1 271 . 1 1 33 33 TYR CE2 C 13 118.886 0.400 . 1 . . 1 . 33 TYR CE2 . 17508 1 272 . 1 1 33 33 TYR HE2 H 1 6.220 0.020 . 1 . . 1 . 33 TYR HE2 . 17508 1 273 . 1 1 33 33 TYR CD2 C 13 132.425 0.400 . 1 . . 1 . 33 TYR CD2 . 17508 1 274 . 1 1 33 33 TYR HD2 H 1 5.845 0.020 . 1 . . 1 . 33 TYR HD2 . 17508 1 275 . 1 1 33 33 TYR C C 13 177.458 0.400 . 1 . . 1 . 33 TYR C . 17508 1 276 . 1 1 34 34 PHE N N 15 112.447 0.400 . 1 . . 1 . 34 PHE N . 17508 1 277 . 1 1 34 34 PHE H H 1 7.985 0.020 . 1 . . 1 . 34 PHE H . 17508 1 278 . 1 1 34 34 PHE CA C 13 61.554 0.400 . 1 . . 1 . 34 PHE CA . 17508 1 279 . 1 1 34 34 PHE HA H 1 4.333 0.020 . 1 . . 1 . 34 PHE HA . 17508 1 280 . 1 1 34 34 PHE CB C 13 39.728 0.400 . 1 . . 1 . 34 PHE CB . 17508 1 281 . 1 1 34 34 PHE HB2 H 1 3.414 0.020 . 2 . . 1 . 34 PHE HB2 . 17508 1 282 . 1 1 34 34 PHE HB3 H 1 2.771 0.020 . 2 . . 1 . 34 PHE HB3 . 17508 1 283 . 1 1 34 34 PHE CD1 C 13 131.908 0.400 . 1 . . 1 . 34 PHE CD1 . 17508 1 284 . 1 1 34 34 PHE HD1 H 1 7.428 0.020 . 1 . . 1 . 34 PHE HD1 . 17508 1 285 . 1 1 34 34 PHE CE1 C 13 130.249 0.400 . 1 . . 1 . 34 PHE CE1 . 17508 1 286 . 1 1 34 34 PHE HE1 H 1 6.879 0.020 . 1 . . 1 . 34 PHE HE1 . 17508 1 287 . 1 1 34 34 PHE CZ C 13 129.160 0.400 . 1 . . 1 . 34 PHE CZ . 17508 1 288 . 1 1 34 34 PHE HZ H 1 6.890 0.020 . 1 . . 1 . 34 PHE HZ . 17508 1 289 . 1 1 34 34 PHE CE2 C 13 130.237 0.400 . 1 . . 1 . 34 PHE CE2 . 17508 1 290 . 1 1 34 34 PHE HE2 H 1 6.879 0.020 . 1 . . 1 . 34 PHE HE2 . 17508 1 291 . 1 1 34 34 PHE CD2 C 13 131.991 0.400 . 1 . . 1 . 34 PHE CD2 . 17508 1 292 . 1 1 34 34 PHE HD2 H 1 7.428 0.020 . 1 . . 1 . 34 PHE HD2 . 17508 1 293 . 1 1 34 34 PHE C C 13 177.250 0.400 . 1 . . 1 . 34 PHE C . 17508 1 294 . 1 1 35 35 LYS N N 15 118.816 0.400 . 1 . . 1 . 35 LYS N . 17508 1 295 . 1 1 35 35 LYS H H 1 8.345 0.020 . 1 . . 1 . 35 LYS H . 17508 1 296 . 1 1 35 35 LYS CA C 13 57.978 0.400 . 1 . . 1 . 35 LYS CA . 17508 1 297 . 1 1 35 35 LYS HA H 1 4.914 0.020 . 1 . . 1 . 35 LYS HA . 17508 1 298 . 1 1 35 35 LYS CB C 13 31.030 0.400 . 1 . . 1 . 35 LYS CB . 17508 1 299 . 1 1 35 35 LYS HB2 H 1 2.049 0.020 . 2 . . 1 . 35 LYS HB2 . 17508 1 300 . 1 1 35 35 LYS HB3 H 1 2.160 0.020 . 2 . . 1 . 35 LYS HB3 . 17508 1 301 . 1 1 35 35 LYS CG C 13 23.829 0.400 . 1 . . 1 . 35 LYS CG . 17508 1 302 . 1 1 35 35 LYS HG2 H 1 1.762 0.020 . 2 . . 1 . 35 LYS HG2 . 17508 1 303 . 1 1 35 35 LYS HG3 H 1 1.266 0.020 . 2 . . 1 . 35 LYS HG3 . 17508 1 304 . 1 1 35 35 LYS CD C 13 29.742 0.400 . 1 . . 1 . 35 LYS CD . 17508 1 305 . 1 1 35 35 LYS HD2 H 1 1.742 0.020 . 2 . . 1 . 35 LYS HD2 . 17508 1 306 . 1 1 35 35 LYS HD3 H 1 1.685 0.020 . 2 . . 1 . 35 LYS HD3 . 17508 1 307 . 1 1 35 35 LYS CE C 13 42.015 0.400 . 1 . . 1 . 35 LYS CE . 17508 1 308 . 1 1 35 35 LYS HE2 H 1 3.018 0.020 . 1 . . 1 . 35 LYS HE2 . 17508 1 309 . 1 1 35 35 LYS HE3 H 1 3.018 0.020 . 1 . . 1 . 35 LYS HE3 . 17508 1 310 . 1 1 35 35 LYS C C 13 176.689 0.400 . 1 . . 1 . 35 LYS C . 17508 1 311 . 1 1 36 36 GLN N N 15 116.163 0.400 . 1 . . 1 . 36 GLN N . 17508 1 312 . 1 1 36 36 GLN H H 1 7.505 0.020 . 1 . . 1 . 36 GLN H . 17508 1 313 . 1 1 36 36 GLN CA C 13 57.336 0.400 . 1 . . 1 . 36 GLN CA . 17508 1 314 . 1 1 36 36 GLN HA H 1 4.127 0.020 . 1 . . 1 . 36 GLN HA . 17508 1 315 . 1 1 36 36 GLN CB C 13 29.640 0.400 . 1 . . 1 . 36 GLN CB . 17508 1 316 . 1 1 36 36 GLN HB2 H 1 2.110 0.020 . 2 . . 1 . 36 GLN HB2 . 17508 1 317 . 1 1 36 36 GLN HB3 H 1 2.014 0.020 . 2 . . 1 . 36 GLN HB3 . 17508 1 318 . 1 1 36 36 GLN CG C 13 33.993 0.400 . 1 . . 1 . 36 GLN CG . 17508 1 319 . 1 1 36 36 GLN HG2 H 1 2.421 0.020 . 2 . . 1 . 36 GLN HG2 . 17508 1 320 . 1 1 36 36 GLN HG3 H 1 2.304 0.020 . 2 . . 1 . 36 GLN HG3 . 17508 1 321 . 1 1 36 36 GLN NE2 N 15 111.842 0.400 . 1 . . 1 . 36 GLN NE2 . 17508 1 322 . 1 1 36 36 GLN HE21 H 1 6.783 0.020 . 2 . . 1 . 36 GLN HE21 . 17508 1 323 . 1 1 36 36 GLN HE22 H 1 7.629 0.020 . 2 . . 1 . 36 GLN HE22 . 17508 1 324 . 1 1 36 36 GLN C C 13 176.502 0.400 . 1 . . 1 . 36 GLN C . 17508 1 325 . 1 1 37 37 ILE N N 15 116.336 0.400 . 1 . . 1 . 37 ILE N . 17508 1 326 . 1 1 37 37 ILE H H 1 7.814 0.020 . 1 . . 1 . 37 ILE H . 17508 1 327 . 1 1 37 37 ILE CA C 13 58.084 0.400 . 1 . . 1 . 37 ILE CA . 17508 1 328 . 1 1 37 37 ILE HA H 1 4.226 0.020 . 1 . . 1 . 37 ILE HA . 17508 1 329 . 1 1 37 37 ILE CB C 13 40.084 0.400 . 1 . . 1 . 37 ILE CB . 17508 1 330 . 1 1 37 37 ILE HB H 1 1.855 0.020 . 1 . . 1 . 37 ILE HB . 17508 1 331 . 1 1 37 37 ILE CG2 C 13 19.062 0.400 . 1 . . 1 . 37 ILE CG2 . 17508 1 332 . 1 1 37 37 ILE HG21 H 1 0.849 0.020 . 1 . . 1 . 37 ILE HG21 . 17508 1 333 . 1 1 37 37 ILE HG22 H 1 0.849 0.020 . 1 . . 1 . 37 ILE HG22 . 17508 1 334 . 1 1 37 37 ILE HG23 H 1 0.849 0.020 . 1 . . 1 . 37 ILE HG23 . 17508 1 335 . 1 1 37 37 ILE CG1 C 13 29.440 0.400 . 1 . . 1 . 37 ILE CG1 . 17508 1 336 . 1 1 37 37 ILE HG12 H 1 1.360 0.020 . 2 . . 1 . 37 ILE HG12 . 17508 1 337 . 1 1 37 37 ILE HG13 H 1 1.178 0.020 . 2 . . 1 . 37 ILE HG13 . 17508 1 338 . 1 1 37 37 ILE CD1 C 13 11.682 0.400 . 1 . . 1 . 37 ILE CD1 . 17508 1 339 . 1 1 37 37 ILE HD11 H 1 0.348 0.020 . 1 . . 1 . 37 ILE HD11 . 17508 1 340 . 1 1 37 37 ILE HD12 H 1 0.348 0.020 . 1 . . 1 . 37 ILE HD12 . 17508 1 341 . 1 1 37 37 ILE HD13 H 1 0.348 0.020 . 1 . . 1 . 37 ILE HD13 . 17508 1 342 . 1 1 37 37 ILE C C 13 174.838 0.400 . 1 . . 1 . 37 ILE C . 17508 1 343 . 1 1 38 38 GLY N N 15 107.243 0.400 . 1 . . 1 . 38 GLY N . 17508 1 344 . 1 1 38 38 GLY H H 1 7.337 0.020 . 1 . . 1 . 38 GLY H . 17508 1 345 . 1 1 38 38 GLY CA C 13 44.575 0.400 . 1 . . 1 . 38 GLY CA . 17508 1 346 . 1 1 38 38 GLY HA2 H 1 3.921 0.020 . 2 . . 1 . 38 GLY HA2 . 17508 1 347 . 1 1 38 38 GLY HA3 H 1 4.080 0.020 . 2 . . 1 . 38 GLY HA3 . 17508 1 348 . 1 1 38 38 GLY C C 13 170.138 0.400 . 1 . . 1 . 38 GLY C . 17508 1 349 . 1 1 39 39 ILE N N 15 117.460 0.400 . 1 . . 1 . 39 ILE N . 17508 1 350 . 1 1 39 39 ILE H H 1 8.115 0.020 . 1 . . 1 . 39 ILE H . 17508 1 351 . 1 1 39 39 ILE CA C 13 61.400 0.400 . 1 . . 1 . 39 ILE CA . 17508 1 352 . 1 1 39 39 ILE HA H 1 4.087 0.020 . 1 . . 1 . 39 ILE HA . 17508 1 353 . 1 1 39 39 ILE CB C 13 38.409 0.400 . 1 . . 1 . 39 ILE CB . 17508 1 354 . 1 1 39 39 ILE HB H 1 1.822 0.020 . 1 . . 1 . 39 ILE HB . 17508 1 355 . 1 1 39 39 ILE CG2 C 13 17.198 0.400 . 1 . . 1 . 39 ILE CG2 . 17508 1 356 . 1 1 39 39 ILE HG21 H 1 0.886 0.020 . 1 . . 1 . 39 ILE HG21 . 17508 1 357 . 1 1 39 39 ILE HG22 H 1 0.886 0.020 . 1 . . 1 . 39 ILE HG22 . 17508 1 358 . 1 1 39 39 ILE HG23 H 1 0.886 0.020 . 1 . . 1 . 39 ILE HG23 . 17508 1 359 . 1 1 39 39 ILE CG1 C 13 27.571 0.400 . 1 . . 1 . 39 ILE CG1 . 17508 1 360 . 1 1 39 39 ILE HG12 H 1 1.692 0.020 . 2 . . 1 . 39 ILE HG12 . 17508 1 361 . 1 1 39 39 ILE HG13 H 1 1.285 0.020 . 2 . . 1 . 39 ILE HG13 . 17508 1 362 . 1 1 39 39 ILE CD1 C 13 12.010 0.400 . 1 . . 1 . 39 ILE CD1 . 17508 1 363 . 1 1 39 39 ILE HD11 H 1 0.913 0.020 . 1 . . 1 . 39 ILE HD11 . 17508 1 364 . 1 1 39 39 ILE HD12 H 1 0.913 0.020 . 1 . . 1 . 39 ILE HD12 . 17508 1 365 . 1 1 39 39 ILE HD13 H 1 0.913 0.020 . 1 . . 1 . 39 ILE HD13 . 17508 1 366 . 1 1 39 39 ILE C C 13 177.084 0.400 . 1 . . 1 . 39 ILE C . 17508 1 367 . 1 1 40 40 ILE N N 15 131.841 0.400 . 1 . . 1 . 40 ILE N . 17508 1 368 . 1 1 40 40 ILE H H 1 8.711 0.020 . 1 . . 1 . 40 ILE H . 17508 1 369 . 1 1 40 40 ILE CA C 13 61.007 0.400 . 1 . . 1 . 40 ILE CA . 17508 1 370 . 1 1 40 40 ILE HA H 1 3.791 0.020 . 1 . . 1 . 40 ILE HA . 17508 1 371 . 1 1 40 40 ILE CB C 13 37.874 0.400 . 1 . . 1 . 40 ILE CB . 17508 1 372 . 1 1 40 40 ILE HB H 1 1.682 0.020 . 1 . . 1 . 40 ILE HB . 17508 1 373 . 1 1 40 40 ILE CG2 C 13 16.233 0.400 . 1 . . 1 . 40 ILE CG2 . 17508 1 374 . 1 1 40 40 ILE HG21 H 1 0.816 0.020 . 1 . . 1 . 40 ILE HG21 . 17508 1 375 . 1 1 40 40 ILE HG22 H 1 0.816 0.020 . 1 . . 1 . 40 ILE HG22 . 17508 1 376 . 1 1 40 40 ILE HG23 H 1 0.816 0.020 . 1 . . 1 . 40 ILE HG23 . 17508 1 377 . 1 1 40 40 ILE CG1 C 13 28.456 0.400 . 1 . . 1 . 40 ILE CG1 . 17508 1 378 . 1 1 40 40 ILE HG12 H 1 1.640 0.020 . 2 . . 1 . 40 ILE HG12 . 17508 1 379 . 1 1 40 40 ILE HG13 H 1 0.534 0.020 . 2 . . 1 . 40 ILE HG13 . 17508 1 380 . 1 1 40 40 ILE CD1 C 13 13.500 0.400 . 1 . . 1 . 40 ILE CD1 . 17508 1 381 . 1 1 40 40 ILE HD11 H 1 0.749 0.020 . 1 . . 1 . 40 ILE HD11 . 17508 1 382 . 1 1 40 40 ILE HD12 H 1 0.749 0.020 . 1 . . 1 . 40 ILE HD12 . 17508 1 383 . 1 1 40 40 ILE HD13 H 1 0.749 0.020 . 1 . . 1 . 40 ILE HD13 . 17508 1 384 . 1 1 40 40 ILE C C 13 175.690 0.400 . 1 . . 1 . 40 ILE C . 17508 1 385 . 1 1 41 41 LYS N N 15 130.163 0.400 . 1 . . 1 . 41 LYS N . 17508 1 386 . 1 1 41 41 LYS H H 1 8.677 0.020 . 1 . . 1 . 41 LYS H . 17508 1 387 . 1 1 41 41 LYS CA C 13 57.229 0.400 . 1 . . 1 . 41 LYS CA . 17508 1 388 . 1 1 41 41 LYS HA H 1 4.058 0.020 . 1 . . 1 . 41 LYS HA . 17508 1 389 . 1 1 41 41 LYS CB C 13 33.418 0.400 . 1 . . 1 . 41 LYS CB . 17508 1 390 . 1 1 41 41 LYS HB2 H 1 1.469 0.020 . 2 . . 1 . 41 LYS HB2 . 17508 1 391 . 1 1 41 41 LYS HB3 H 1 1.195 0.020 . 2 . . 1 . 41 LYS HB3 . 17508 1 392 . 1 1 41 41 LYS CG C 13 24.753 0.400 . 1 . . 1 . 41 LYS CG . 17508 1 393 . 1 1 41 41 LYS HG2 H 1 1.397 0.020 . 2 . . 1 . 41 LYS HG2 . 17508 1 394 . 1 1 41 41 LYS HG3 H 1 1.508 0.020 . 2 . . 1 . 41 LYS HG3 . 17508 1 395 . 1 1 41 41 LYS CD C 13 29.581 0.400 . 1 . . 1 . 41 LYS CD . 17508 1 396 . 1 1 41 41 LYS HD2 H 1 1.626 0.020 . 1 . . 1 . 41 LYS HD2 . 17508 1 397 . 1 1 41 41 LYS HD3 H 1 1.626 0.020 . 1 . . 1 . 41 LYS HD3 . 17508 1 398 . 1 1 41 41 LYS CE C 13 41.561 0.400 . 1 . . 1 . 41 LYS CE . 17508 1 399 . 1 1 41 41 LYS HE2 H 1 3.048 0.020 . 2 . . 1 . 41 LYS HE2 . 17508 1 400 . 1 1 41 41 LYS HE3 H 1 3.090 0.020 . 2 . . 1 . 41 LYS HE3 . 17508 1 401 . 1 1 41 41 LYS C C 13 174.921 0.400 . 1 . . 1 . 41 LYS C . 17508 1 402 . 1 1 42 42 THR N N 15 118.307 0.400 . 1 . . 1 . 42 THR N . 17508 1 403 . 1 1 42 42 THR H H 1 8.471 0.020 . 1 . . 1 . 42 THR H . 17508 1 404 . 1 1 42 42 THR CA C 13 60.770 0.400 . 1 . . 1 . 42 THR CA . 17508 1 405 . 1 1 42 42 THR HA H 1 4.381 0.020 . 1 . . 1 . 42 THR HA . 17508 1 406 . 1 1 42 42 THR CB C 13 70.244 0.400 . 1 . . 1 . 42 THR CB . 17508 1 407 . 1 1 42 42 THR HB H 1 3.731 0.020 . 1 . . 1 . 42 THR HB . 17508 1 408 . 1 1 42 42 THR CG2 C 13 21.144 0.400 . 1 . . 1 . 42 THR CG2 . 17508 1 409 . 1 1 42 42 THR HG21 H 1 0.875 0.020 . 1 . . 1 . 42 THR HG21 . 17508 1 410 . 1 1 42 42 THR HG22 H 1 0.875 0.020 . 1 . . 1 . 42 THR HG22 . 17508 1 411 . 1 1 42 42 THR HG23 H 1 0.875 0.020 . 1 . . 1 . 42 THR HG23 . 17508 1 412 . 1 1 42 42 THR C C 13 173.881 0.400 . 1 . . 1 . 42 THR C . 17508 1 413 . 1 1 43 43 ASN N N 15 124.147 0.400 . 1 . . 1 . 43 ASN N . 17508 1 414 . 1 1 43 43 ASN H H 1 8.807 0.020 . 1 . . 1 . 43 ASN H . 17508 1 415 . 1 1 43 43 ASN CA C 13 52.544 0.400 . 1 . . 1 . 43 ASN CA . 17508 1 416 . 1 1 43 43 ASN HA H 1 4.534 0.020 . 1 . . 1 . 43 ASN HA . 17508 1 417 . 1 1 43 43 ASN CB C 13 38.750 0.400 . 1 . . 1 . 43 ASN CB . 17508 1 418 . 1 1 43 43 ASN HB2 H 1 3.270 0.020 . 2 . . 1 . 43 ASN HB2 . 17508 1 419 . 1 1 43 43 ASN HB3 H 1 2.549 0.020 . 2 . . 1 . 43 ASN HB3 . 17508 1 420 . 1 1 43 43 ASN ND2 N 15 113.879 0.400 . 1 . . 1 . 43 ASN ND2 . 17508 1 421 . 1 1 43 43 ASN HD21 H 1 7.650 0.020 . 2 . . 1 . 43 ASN HD21 . 17508 1 422 . 1 1 43 43 ASN HD22 H 1 7.199 0.020 . 2 . . 1 . 43 ASN HD22 . 17508 1 423 . 1 1 44 44 LYS CA C 13 57.957 0.400 . 1 . . 1 . 44 LYS CA . 17508 1 424 . 1 1 44 44 LYS HA H 1 3.992 0.020 . 1 . . 1 . 44 LYS HA . 17508 1 425 . 1 1 44 44 LYS CB C 13 32.009 0.400 . 1 . . 1 . 44 LYS CB . 17508 1 426 . 1 1 44 44 LYS HB2 H 1 1.860 0.020 . 2 . . 1 . 44 LYS HB2 . 17508 1 427 . 1 1 44 44 LYS HB3 H 1 1.863 0.020 . 2 . . 1 . 44 LYS HB3 . 17508 1 428 . 1 1 44 44 LYS CG C 13 24.784 0.400 . 1 . . 1 . 44 LYS CG . 17508 1 429 . 1 1 44 44 LYS HG2 H 1 1.472 0.020 . 2 . . 1 . 44 LYS HG2 . 17508 1 430 . 1 1 44 44 LYS HG3 H 1 1.554 0.020 . 2 . . 1 . 44 LYS HG3 . 17508 1 431 . 1 1 44 44 LYS CD C 13 28.456 0.400 . 1 . . 1 . 44 LYS CD . 17508 1 432 . 1 1 44 44 LYS HD2 H 1 1.681 0.020 . 1 . . 1 . 44 LYS HD2 . 17508 1 433 . 1 1 44 44 LYS HD3 H 1 1.682 0.020 . 1 . . 1 . 44 LYS HD3 . 17508 1 434 . 1 1 44 44 LYS CE C 13 41.804 0.400 . 1 . . 1 . 44 LYS CE . 17508 1 435 . 1 1 44 44 LYS HE2 H 1 3.015 0.020 . 1 . . 1 . 44 LYS HE2 . 17508 1 436 . 1 1 44 44 LYS HE3 H 1 3.016 0.020 . 1 . . 1 . 44 LYS HE3 . 17508 1 437 . 1 1 44 44 LYS C C 13 177.604 0.400 . 1 . . 1 . 44 LYS C . 17508 1 438 . 1 1 45 45 LYS N N 15 117.320 0.400 . 1 . . 1 . 45 LYS N . 17508 1 439 . 1 1 45 45 LYS H H 1 8.312 0.020 . 1 . . 1 . 45 LYS H . 17508 1 440 . 1 1 45 45 LYS CA C 13 57.979 0.400 . 1 . . 1 . 45 LYS CA . 17508 1 441 . 1 1 45 45 LYS HA H 1 4.244 0.020 . 1 . . 1 . 45 LYS HA . 17508 1 442 . 1 1 45 45 LYS CB C 13 32.570 0.400 . 1 . . 1 . 45 LYS CB . 17508 1 443 . 1 1 45 45 LYS HB2 H 1 1.949 0.020 . 1 . . 1 . 45 LYS HB2 . 17508 1 444 . 1 1 45 45 LYS HB3 H 1 1.949 0.020 . 1 . . 1 . 45 LYS HB3 . 17508 1 445 . 1 1 45 45 LYS CG C 13 25.028 0.400 . 1 . . 1 . 45 LYS CG . 17508 1 446 . 1 1 45 45 LYS HG2 H 1 1.515 0.020 . 2 . . 1 . 45 LYS HG2 . 17508 1 447 . 1 1 45 45 LYS HG3 H 1 1.402 0.020 . 2 . . 1 . 45 LYS HG3 . 17508 1 448 . 1 1 45 45 LYS CD C 13 28.536 0.400 . 1 . . 1 . 45 LYS CD . 17508 1 449 . 1 1 45 45 LYS HD2 H 1 1.703 0.020 . 2 . . 1 . 45 LYS HD2 . 17508 1 450 . 1 1 45 45 LYS HD3 H 1 1.701 0.020 . 2 . . 1 . 45 LYS HD3 . 17508 1 451 . 1 1 45 45 LYS CE C 13 41.885 0.400 . 1 . . 1 . 45 LYS CE . 17508 1 452 . 1 1 45 45 LYS HE2 H 1 2.992 0.020 . 1 . . 1 . 45 LYS HE2 . 17508 1 453 . 1 1 45 45 LYS HE3 H 1 2.992 0.020 . 1 . . 1 . 45 LYS HE3 . 17508 1 454 . 1 1 45 45 LYS C C 13 178.041 0.400 . 1 . . 1 . 45 LYS C . 17508 1 455 . 1 1 46 46 THR N N 15 105.379 0.400 . 1 . . 1 . 46 THR N . 17508 1 456 . 1 1 46 46 THR H H 1 7.422 0.020 . 1 . . 1 . 46 THR H . 17508 1 457 . 1 1 46 46 THR CA C 13 60.672 0.400 . 1 . . 1 . 46 THR CA . 17508 1 458 . 1 1 46 46 THR HA H 1 4.471 0.020 . 1 . . 1 . 46 THR HA . 17508 1 459 . 1 1 46 46 THR CB C 13 70.739 0.400 . 1 . . 1 . 46 THR CB . 17508 1 460 . 1 1 46 46 THR HB H 1 4.393 0.020 . 1 . . 1 . 46 THR HB . 17508 1 461 . 1 1 46 46 THR CG2 C 13 20.929 0.400 . 1 . . 1 . 46 THR CG2 . 17508 1 462 . 1 1 46 46 THR HG21 H 1 1.128 0.020 . 1 . . 1 . 46 THR HG21 . 17508 1 463 . 1 1 46 46 THR HG22 H 1 1.128 0.020 . 1 . . 1 . 46 THR HG22 . 17508 1 464 . 1 1 46 46 THR HG23 H 1 1.128 0.020 . 1 . . 1 . 46 THR HG23 . 17508 1 465 . 1 1 46 46 THR C C 13 176.314 0.400 . 1 . . 1 . 46 THR C . 17508 1 466 . 1 1 47 47 GLY N N 15 111.478 0.400 . 1 . . 1 . 47 GLY N . 17508 1 467 . 1 1 47 47 GLY H H 1 8.639 0.020 . 1 . . 1 . 47 GLY H . 17508 1 468 . 1 1 47 47 GLY CA C 13 45.624 0.400 . 1 . . 1 . 47 GLY CA . 17508 1 469 . 1 1 47 47 GLY HA2 H 1 3.675 0.020 . 2 . . 1 . 47 GLY HA2 . 17508 1 470 . 1 1 47 47 GLY HA3 H 1 4.176 0.020 . 2 . . 1 . 47 GLY HA3 . 17508 1 471 . 1 1 47 47 GLY C C 13 173.673 0.400 . 1 . . 1 . 47 GLY C . 17508 1 472 . 1 1 48 48 GLN N N 15 118.767 0.400 . 1 . . 1 . 48 GLN N . 17508 1 473 . 1 1 48 48 GLN H H 1 7.656 0.020 . 1 . . 1 . 48 GLN H . 17508 1 474 . 1 1 48 48 GLN CA C 13 52.979 0.400 . 1 . . 1 . 48 GLN CA . 17508 1 475 . 1 1 48 48 GLN HA H 1 4.668 0.020 . 1 . . 1 . 48 GLN HA . 17508 1 476 . 1 1 48 48 GLN CB C 13 29.034 0.400 . 1 . . 1 . 48 GLN CB . 17508 1 477 . 1 1 48 48 GLN HB2 H 1 1.806 0.020 . 2 . . 1 . 48 GLN HB2 . 17508 1 478 . 1 1 48 48 GLN HB3 H 1 2.195 0.020 . 2 . . 1 . 48 GLN HB3 . 17508 1 479 . 1 1 48 48 GLN CG C 13 33.120 0.400 . 1 . . 1 . 48 GLN CG . 17508 1 480 . 1 1 48 48 GLN HG2 H 1 2.344 0.020 . 2 . . 1 . 48 GLN HG2 . 17508 1 481 . 1 1 48 48 GLN HG3 H 1 2.409 0.020 . 2 . . 1 . 48 GLN HG3 . 17508 1 482 . 1 1 48 48 GLN NE2 N 15 113.028 0.400 . 1 . . 1 . 48 GLN NE2 . 17508 1 483 . 1 1 48 48 GLN HE21 H 1 7.581 0.020 . 2 . . 1 . 48 GLN HE21 . 17508 1 484 . 1 1 48 48 GLN HE22 H 1 6.979 0.020 . 2 . . 1 . 48 GLN HE22 . 17508 1 485 . 1 1 49 49 PRO CD C 13 50.243 0.400 . 1 . . 1 . 49 PRO CD . 17508 1 486 . 1 1 49 49 PRO CA C 13 62.398 0.400 . 1 . . 1 . 49 PRO CA . 17508 1 487 . 1 1 49 49 PRO HA H 1 4.587 0.020 . 1 . . 1 . 49 PRO HA . 17508 1 488 . 1 1 49 49 PRO CB C 13 32.313 0.400 . 1 . . 1 . 49 PRO CB . 17508 1 489 . 1 1 49 49 PRO HB2 H 1 2.220 0.020 . 2 . . 1 . 49 PRO HB2 . 17508 1 490 . 1 1 49 49 PRO HB3 H 1 1.563 0.020 . 2 . . 1 . 49 PRO HB3 . 17508 1 491 . 1 1 49 49 PRO CG C 13 27.249 0.400 . 1 . . 1 . 49 PRO CG . 17508 1 492 . 1 1 49 49 PRO HG2 H 1 2.002 0.020 . 2 . . 1 . 49 PRO HG2 . 17508 1 493 . 1 1 49 49 PRO HG3 H 1 1.939 0.020 . 2 . . 1 . 49 PRO HG3 . 17508 1 494 . 1 1 49 49 PRO HD2 H 1 3.840 0.020 . 2 . . 1 . 49 PRO HD2 . 17508 1 495 . 1 1 49 49 PRO HD3 H 1 3.669 0.020 . 2 . . 1 . 49 PRO HD3 . 17508 1 496 . 1 1 49 49 PRO C C 13 177.687 0.400 . 1 . . 1 . 49 PRO C . 17508 1 497 . 1 1 50 50 MET N N 15 124.204 0.400 . 1 . . 1 . 50 MET N . 17508 1 498 . 1 1 50 50 MET H H 1 8.876 0.020 . 1 . . 1 . 50 MET H . 17508 1 499 . 1 1 50 50 MET CA C 13 55.090 0.400 . 1 . . 1 . 50 MET CA . 17508 1 500 . 1 1 50 50 MET HA H 1 4.426 0.020 . 1 . . 1 . 50 MET HA . 17508 1 501 . 1 1 50 50 MET CB C 13 30.353 0.400 . 1 . . 1 . 50 MET CB . 17508 1 502 . 1 1 50 50 MET HB2 H 1 1.650 0.020 . 2 . . 1 . 50 MET HB2 . 17508 1 503 . 1 1 50 50 MET HB3 H 1 2.027 0.020 . 2 . . 1 . 50 MET HB3 . 17508 1 504 . 1 1 50 50 MET CG C 13 32.383 0.400 . 1 . . 1 . 50 MET CG . 17508 1 505 . 1 1 50 50 MET HG2 H 1 2.274 0.020 . 2 . . 1 . 50 MET HG2 . 17508 1 506 . 1 1 50 50 MET HG3 H 1 2.379 0.020 . 2 . . 1 . 50 MET HG3 . 17508 1 507 . 1 1 50 50 MET CE C 13 16.763 0.400 . 1 . . 1 . 50 MET CE . 17508 1 508 . 1 1 50 50 MET HE1 H 1 2.031 0.020 . 1 . . 1 . 50 MET HE1 . 17508 1 509 . 1 1 50 50 MET HE2 H 1 2.031 0.020 . 1 . . 1 . 50 MET HE2 . 17508 1 510 . 1 1 50 50 MET HE3 H 1 2.031 0.020 . 1 . . 1 . 50 MET HE3 . 17508 1 511 . 1 1 50 50 MET C C 13 173.798 0.400 . 1 . . 1 . 50 MET C . 17508 1 512 . 1 1 51 51 ILE N N 15 126.171 0.400 . 1 . . 1 . 51 ILE N . 17508 1 513 . 1 1 51 51 ILE H H 1 7.715 0.020 . 1 . . 1 . 51 ILE H . 17508 1 514 . 1 1 51 51 ILE CA C 13 58.941 0.400 . 1 . . 1 . 51 ILE CA . 17508 1 515 . 1 1 51 51 ILE HA H 1 4.803 0.020 . 1 . . 1 . 51 ILE HA . 17508 1 516 . 1 1 51 51 ILE CB C 13 42.116 0.400 . 1 . . 1 . 51 ILE CB . 17508 1 517 . 1 1 51 51 ILE HB H 1 1.457 0.020 . 1 . . 1 . 51 ILE HB . 17508 1 518 . 1 1 51 51 ILE CG2 C 13 16.243 0.400 . 1 . . 1 . 51 ILE CG2 . 17508 1 519 . 1 1 51 51 ILE HG21 H 1 0.718 0.020 . 1 . . 1 . 51 ILE HG21 . 17508 1 520 . 1 1 51 51 ILE HG22 H 1 0.718 0.020 . 1 . . 1 . 51 ILE HG22 . 17508 1 521 . 1 1 51 51 ILE HG23 H 1 0.718 0.020 . 1 . . 1 . 51 ILE HG23 . 17508 1 522 . 1 1 51 51 ILE CG1 C 13 27.651 0.400 . 1 . . 1 . 51 ILE CG1 . 17508 1 523 . 1 1 51 51 ILE HG12 H 1 1.017 0.020 . 2 . . 1 . 51 ILE HG12 . 17508 1 524 . 1 1 51 51 ILE HG13 H 1 1.433 0.020 . 2 . . 1 . 51 ILE HG13 . 17508 1 525 . 1 1 51 51 ILE CD1 C 13 14.064 0.400 . 1 . . 1 . 51 ILE CD1 . 17508 1 526 . 1 1 51 51 ILE HD11 H 1 0.872 0.020 . 1 . . 1 . 51 ILE HD11 . 17508 1 527 . 1 1 51 51 ILE HD12 H 1 0.872 0.020 . 1 . . 1 . 51 ILE HD12 . 17508 1 528 . 1 1 51 51 ILE HD13 H 1 0.872 0.020 . 1 . . 1 . 51 ILE HD13 . 17508 1 529 . 1 1 51 51 ILE C C 13 173.985 0.400 . 1 . . 1 . 51 ILE C . 17508 1 530 . 1 1 52 52 ASN N N 15 124.783 0.400 . 1 . . 1 . 52 ASN N . 17508 1 531 . 1 1 52 52 ASN H H 1 8.365 0.020 . 1 . . 1 . 52 ASN H . 17508 1 532 . 1 1 52 52 ASN CA C 13 51.206 0.400 . 1 . . 1 . 52 ASN CA . 17508 1 533 . 1 1 52 52 ASN HA H 1 4.935 0.020 . 1 . . 1 . 52 ASN HA . 17508 1 534 . 1 1 52 52 ASN CB C 13 40.226 0.400 . 1 . . 1 . 52 ASN CB . 17508 1 535 . 1 1 52 52 ASN HB2 H 1 2.592 0.020 . 2 . . 1 . 52 ASN HB2 . 17508 1 536 . 1 1 52 52 ASN HB3 H 1 2.595 0.020 . 2 . . 1 . 52 ASN HB3 . 17508 1 537 . 1 1 52 52 ASN ND2 N 15 111.483 0.400 . 1 . . 1 . 52 ASN ND2 . 17508 1 538 . 1 1 52 52 ASN HD21 H 1 6.986 0.020 . 2 . . 1 . 52 ASN HD21 . 17508 1 539 . 1 1 52 52 ASN HD22 H 1 6.635 0.020 . 2 . . 1 . 52 ASN HD22 . 17508 1 540 . 1 1 52 52 ASN C C 13 173.631 0.400 . 1 . . 1 . 52 ASN C . 17508 1 541 . 1 1 53 53 LEU N N 15 122.328 0.400 . 1 . . 1 . 53 LEU N . 17508 1 542 . 1 1 53 53 LEU H H 1 8.582 0.020 . 1 . . 1 . 53 LEU H . 17508 1 543 . 1 1 53 53 LEU CA C 13 52.766 0.400 . 1 . . 1 . 53 LEU CA . 17508 1 544 . 1 1 53 53 LEU HA H 1 4.700 0.020 . 1 . . 1 . 53 LEU HA . 17508 1 545 . 1 1 53 53 LEU CB C 13 42.049 0.400 . 1 . . 1 . 53 LEU CB . 17508 1 546 . 1 1 53 53 LEU HB2 H 1 1.720 0.020 . 2 . . 1 . 53 LEU HB2 . 17508 1 547 . 1 1 53 53 LEU HB3 H 1 1.388 0.020 . 2 . . 1 . 53 LEU HB3 . 17508 1 548 . 1 1 53 53 LEU CG C 13 26.427 0.400 . 1 . . 1 . 53 LEU CG . 17508 1 549 . 1 1 53 53 LEU HG H 1 1.499 0.020 . 1 . . 1 . 53 LEU HG . 17508 1 550 . 1 1 53 53 LEU CD1 C 13 25.497 0.400 . 1 . . 1 . 53 LEU CD1 . 17508 1 551 . 1 1 53 53 LEU HD11 H 1 0.769 0.020 . 2 . . 1 . 53 LEU HD11 . 17508 1 552 . 1 1 53 53 LEU HD12 H 1 0.769 0.020 . 2 . . 1 . 53 LEU HD12 . 17508 1 553 . 1 1 53 53 LEU HD13 H 1 0.769 0.020 . 2 . . 1 . 53 LEU HD13 . 17508 1 554 . 1 1 53 53 LEU CD2 C 13 23.439 0.400 . 1 . . 1 . 53 LEU CD2 . 17508 1 555 . 1 1 53 53 LEU HD21 H 1 0.608 0.020 . 2 . . 1 . 53 LEU HD21 . 17508 1 556 . 1 1 53 53 LEU HD22 H 1 0.608 0.020 . 2 . . 1 . 53 LEU HD22 . 17508 1 557 . 1 1 53 53 LEU HD23 H 1 0.608 0.020 . 2 . . 1 . 53 LEU HD23 . 17508 1 558 . 1 1 53 53 LEU C C 13 176.169 0.400 . 1 . . 1 . 53 LEU C . 17508 1 559 . 1 1 54 54 TYR N N 15 121.867 0.400 . 1 . . 1 . 54 TYR N . 17508 1 560 . 1 1 54 54 TYR H H 1 7.642 0.020 . 1 . . 1 . 54 TYR H . 17508 1 561 . 1 1 54 54 TYR CA C 13 57.195 0.400 . 1 . . 1 . 54 TYR CA . 17508 1 562 . 1 1 54 54 TYR HA H 1 4.771 0.020 . 1 . . 1 . 54 TYR HA . 17508 1 563 . 1 1 54 54 TYR CB C 13 38.976 0.400 . 1 . . 1 . 54 TYR CB . 17508 1 564 . 1 1 54 54 TYR HB2 H 1 2.826 0.020 . 2 . . 1 . 54 TYR HB2 . 17508 1 565 . 1 1 54 54 TYR HB3 H 1 3.161 0.020 . 2 . . 1 . 54 TYR HB3 . 17508 1 566 . 1 1 54 54 TYR CD1 C 13 132.119 0.400 . 1 . . 1 . 54 TYR CD1 . 17508 1 567 . 1 1 54 54 TYR HD1 H 1 7.174 0.020 . 1 . . 1 . 54 TYR HD1 . 17508 1 568 . 1 1 54 54 TYR CE1 C 13 118.197 0.400 . 1 . . 1 . 54 TYR CE1 . 17508 1 569 . 1 1 54 54 TYR HE1 H 1 6.848 0.020 . 1 . . 1 . 54 TYR HE1 . 17508 1 570 . 1 1 54 54 TYR CE2 C 13 117.910 0.400 . 1 . . 1 . 54 TYR CE2 . 17508 1 571 . 1 1 54 54 TYR HE2 H 1 6.848 0.020 . 1 . . 1 . 54 TYR HE2 . 17508 1 572 . 1 1 54 54 TYR CD2 C 13 132.308 0.400 . 1 . . 1 . 54 TYR CD2 . 17508 1 573 . 1 1 54 54 TYR HD2 H 1 7.174 0.020 . 1 . . 1 . 54 TYR HD2 . 17508 1 574 . 1 1 55 55 THR CA C 13 60.402 0.400 . 1 . . 1 . 55 THR CA . 17508 1 575 . 1 1 55 55 THR HA H 1 4.798 0.020 . 1 . . 1 . 55 THR HA . 17508 1 576 . 1 1 55 55 THR CB C 13 71.238 0.400 . 1 . . 1 . 55 THR CB . 17508 1 577 . 1 1 55 55 THR HB H 1 3.829 0.020 . 1 . . 1 . 55 THR HB . 17508 1 578 . 1 1 55 55 THR CG2 C 13 21.686 0.400 . 1 . . 1 . 55 THR CG2 . 17508 1 579 . 1 1 55 55 THR HG21 H 1 1.030 0.020 . 1 . . 1 . 55 THR HG21 . 17508 1 580 . 1 1 55 55 THR HG22 H 1 1.030 0.020 . 1 . . 1 . 55 THR HG22 . 17508 1 581 . 1 1 55 55 THR HG23 H 1 1.030 0.020 . 1 . . 1 . 55 THR HG23 . 17508 1 582 . 1 1 55 55 THR C C 13 173.611 0.400 . 1 . . 1 . 55 THR C . 17508 1 583 . 1 1 56 56 ASP N N 15 123.857 0.400 . 1 . . 1 . 56 ASP N . 17508 1 584 . 1 1 56 56 ASP H H 1 8.942 0.020 . 1 . . 1 . 56 ASP H . 17508 1 585 . 1 1 56 56 ASP CA C 13 53.700 0.400 . 1 . . 1 . 56 ASP CA . 17508 1 586 . 1 1 56 56 ASP HA H 1 4.621 0.020 . 1 . . 1 . 56 ASP HA . 17508 1 587 . 1 1 56 56 ASP CB C 13 42.633 0.400 . 1 . . 1 . 56 ASP CB . 17508 1 588 . 1 1 56 56 ASP HB2 H 1 3.068 0.020 . 2 . . 1 . 56 ASP HB2 . 17508 1 589 . 1 1 56 56 ASP HB3 H 1 2.443 0.020 . 2 . . 1 . 56 ASP HB3 . 17508 1 590 . 1 1 57 57 ARG CA C 13 58.192 0.400 . 1 . . 1 . 57 ARG CA . 17508 1 591 . 1 1 57 57 ARG HA H 1 4.021 0.020 . 1 . . 1 . 57 ARG HA . 17508 1 592 . 1 1 57 57 ARG CB C 13 29.894 0.400 . 1 . . 1 . 57 ARG CB . 17508 1 593 . 1 1 57 57 ARG HB2 H 1 1.894 0.020 . 1 . . 1 . 57 ARG HB2 . 17508 1 594 . 1 1 57 57 ARG HB3 H 1 1.894 0.020 . 1 . . 1 . 57 ARG HB3 . 17508 1 595 . 1 1 57 57 ARG CG C 13 26.694 0.400 . 1 . . 1 . 57 ARG CG . 17508 1 596 . 1 1 57 57 ARG HG2 H 1 1.682 0.020 . 2 . . 1 . 57 ARG HG2 . 17508 1 597 . 1 1 57 57 ARG HG3 H 1 1.680 0.020 . 2 . . 1 . 57 ARG HG3 . 17508 1 598 . 1 1 57 57 ARG CD C 13 43.008 0.400 . 1 . . 1 . 57 ARG CD . 17508 1 599 . 1 1 57 57 ARG HD2 H 1 3.210 0.020 . 2 . . 1 . 57 ARG HD2 . 17508 1 600 . 1 1 57 57 ARG HD3 H 1 3.208 0.020 . 2 . . 1 . 57 ARG HD3 . 17508 1 601 . 1 1 57 57 ARG C C 13 177.250 0.400 . 1 . . 1 . 57 ARG C . 17508 1 602 . 1 1 58 58 GLU N N 15 117.378 0.400 . 1 . . 1 . 58 GLU N . 17508 1 603 . 1 1 58 58 GLU H H 1 8.559 0.020 . 1 . . 1 . 58 GLU H . 17508 1 604 . 1 1 58 58 GLU CA C 13 57.996 0.400 . 1 . . 1 . 58 GLU CA . 17508 1 605 . 1 1 58 58 GLU HA H 1 4.265 0.020 . 1 . . 1 . 58 GLU HA . 17508 1 606 . 1 1 58 58 GLU CB C 13 30.130 0.400 . 1 . . 1 . 58 GLU CB . 17508 1 607 . 1 1 58 58 GLU HB2 H 1 2.131 0.020 . 2 . . 1 . 58 GLU HB2 . 17508 1 608 . 1 1 58 58 GLU HB3 H 1 2.156 0.020 . 2 . . 1 . 58 GLU HB3 . 17508 1 609 . 1 1 58 58 GLU CG C 13 36.210 0.400 . 1 . . 1 . 58 GLU CG . 17508 1 610 . 1 1 58 58 GLU HG2 H 1 2.237 0.020 . 2 . . 1 . 58 GLU HG2 . 17508 1 611 . 1 1 58 58 GLU HG3 H 1 2.314 0.020 . 2 . . 1 . 58 GLU HG3 . 17508 1 612 . 1 1 58 58 GLU C C 13 178.186 0.400 . 1 . . 1 . 58 GLU C . 17508 1 613 . 1 1 59 59 THR N N 15 106.707 0.400 . 1 . . 1 . 59 THR N . 17508 1 614 . 1 1 59 59 THR H H 1 8.063 0.020 . 1 . . 1 . 59 THR H . 17508 1 615 . 1 1 59 59 THR CA C 13 61.333 0.400 . 1 . . 1 . 59 THR CA . 17508 1 616 . 1 1 59 59 THR HA H 1 4.432 0.020 . 1 . . 1 . 59 THR HA . 17508 1 617 . 1 1 59 59 THR CB C 13 70.981 0.400 . 1 . . 1 . 59 THR CB . 17508 1 618 . 1 1 59 59 THR HB H 1 4.324 0.020 . 1 . . 1 . 59 THR HB . 17508 1 619 . 1 1 59 59 THR CG2 C 13 20.869 0.400 . 1 . . 1 . 59 THR CG2 . 17508 1 620 . 1 1 59 59 THR HG21 H 1 1.223 0.020 . 1 . . 1 . 59 THR HG21 . 17508 1 621 . 1 1 59 59 THR HG22 H 1 1.223 0.020 . 1 . . 1 . 59 THR HG22 . 17508 1 622 . 1 1 59 59 THR HG23 H 1 1.223 0.020 . 1 . . 1 . 59 THR HG23 . 17508 1 623 . 1 1 59 59 THR C C 13 176.481 0.400 . 1 . . 1 . 59 THR C . 17508 1 624 . 1 1 60 60 GLY N N 15 111.139 0.400 . 1 . . 1 . 60 GLY N . 17508 1 625 . 1 1 60 60 GLY H H 1 8.433 0.020 . 1 . . 1 . 60 GLY H . 17508 1 626 . 1 1 60 60 GLY CA C 13 45.705 0.400 . 1 . . 1 . 60 GLY CA . 17508 1 627 . 1 1 60 60 GLY HA2 H 1 3.766 0.020 . 2 . . 1 . 60 GLY HA2 . 17508 1 628 . 1 1 60 60 GLY HA3 H 1 4.176 0.020 . 2 . . 1 . 60 GLY HA3 . 17508 1 629 . 1 1 60 60 GLY C C 13 173.631 0.400 . 1 . . 1 . 60 GLY C . 17508 1 630 . 1 1 61 61 LYS N N 15 119.542 0.400 . 1 . . 1 . 61 LYS N . 17508 1 631 . 1 1 61 61 LYS H H 1 7.757 0.020 . 1 . . 1 . 61 LYS H . 17508 1 632 . 1 1 61 61 LYS CA C 13 55.602 0.400 . 1 . . 1 . 61 LYS CA . 17508 1 633 . 1 1 61 61 LYS HA H 1 4.353 0.020 . 1 . . 1 . 61 LYS HA . 17508 1 634 . 1 1 61 61 LYS CB C 13 33.460 0.400 . 1 . . 1 . 61 LYS CB . 17508 1 635 . 1 1 61 61 LYS HB2 H 1 1.838 0.020 . 2 . . 1 . 61 LYS HB2 . 17508 1 636 . 1 1 61 61 LYS HB3 H 1 1.658 0.020 . 2 . . 1 . 61 LYS HB3 . 17508 1 637 . 1 1 61 61 LYS CG C 13 24.907 0.400 . 1 . . 1 . 61 LYS CG . 17508 1 638 . 1 1 61 61 LYS HG2 H 1 1.420 0.020 . 1 . . 1 . 61 LYS HG2 . 17508 1 639 . 1 1 61 61 LYS HG3 H 1 1.421 0.020 . 1 . . 1 . 61 LYS HG3 . 17508 1 640 . 1 1 61 61 LYS CD C 13 28.768 0.400 . 1 . . 1 . 61 LYS CD . 17508 1 641 . 1 1 61 61 LYS HD2 H 1 1.681 0.020 . 1 . . 1 . 61 LYS HD2 . 17508 1 642 . 1 1 61 61 LYS HD3 H 1 1.681 0.020 . 1 . . 1 . 61 LYS HD3 . 17508 1 643 . 1 1 61 61 LYS CE C 13 41.922 0.400 . 1 . . 1 . 61 LYS CE . 17508 1 644 . 1 1 61 61 LYS HE2 H 1 3.030 0.020 . 2 . . 1 . 61 LYS HE2 . 17508 1 645 . 1 1 61 61 LYS HE3 H 1 3.001 0.020 . 2 . . 1 . 61 LYS HE3 . 17508 1 646 . 1 1 61 61 LYS C C 13 176.460 0.400 . 1 . . 1 . 61 LYS C . 17508 1 647 . 1 1 62 62 LEU N N 15 122.411 0.400 . 1 . . 1 . 62 LEU N . 17508 1 648 . 1 1 62 62 LEU H H 1 8.767 0.020 . 1 . . 1 . 62 LEU H . 17508 1 649 . 1 1 62 62 LEU CA C 13 56.008 0.400 . 1 . . 1 . 62 LEU CA . 17508 1 650 . 1 1 62 62 LEU HA H 1 4.364 0.020 . 1 . . 1 . 62 LEU HA . 17508 1 651 . 1 1 62 62 LEU CB C 13 41.383 0.400 . 1 . . 1 . 62 LEU CB . 17508 1 652 . 1 1 62 62 LEU HB2 H 1 1.892 0.020 . 2 . . 1 . 62 LEU HB2 . 17508 1 653 . 1 1 62 62 LEU HB3 H 1 1.526 0.020 . 2 . . 1 . 62 LEU HB3 . 17508 1 654 . 1 1 62 62 LEU CG C 13 27.330 0.400 . 1 . . 1 . 62 LEU CG . 17508 1 655 . 1 1 62 62 LEU HG H 1 1.811 0.020 . 1 . . 1 . 62 LEU HG . 17508 1 656 . 1 1 62 62 LEU CD1 C 13 26.118 0.400 . 1 . . 1 . 62 LEU CD1 . 17508 1 657 . 1 1 62 62 LEU HD11 H 1 0.999 0.020 . 2 . . 1 . 62 LEU HD11 . 17508 1 658 . 1 1 62 62 LEU HD12 H 1 0.999 0.020 . 2 . . 1 . 62 LEU HD12 . 17508 1 659 . 1 1 62 62 LEU HD13 H 1 0.999 0.020 . 2 . . 1 . 62 LEU HD13 . 17508 1 660 . 1 1 62 62 LEU CD2 C 13 23.712 0.400 . 1 . . 1 . 62 LEU CD2 . 17508 1 661 . 1 1 62 62 LEU HD21 H 1 0.838 0.020 . 2 . . 1 . 62 LEU HD21 . 17508 1 662 . 1 1 62 62 LEU HD22 H 1 0.838 0.020 . 2 . . 1 . 62 LEU HD22 . 17508 1 663 . 1 1 62 62 LEU HD23 H 1 0.838 0.020 . 2 . . 1 . 62 LEU HD23 . 17508 1 664 . 1 1 62 62 LEU C C 13 177.833 0.400 . 1 . . 1 . 62 LEU C . 17508 1 665 . 1 1 63 63 LYS N N 15 118.017 0.400 . 1 . . 1 . 63 LYS N . 17508 1 666 . 1 1 63 63 LYS H H 1 7.995 0.020 . 1 . . 1 . 63 LYS H . 17508 1 667 . 1 1 63 63 LYS CA C 13 56.085 0.400 . 1 . . 1 . 63 LYS CA . 17508 1 668 . 1 1 63 63 LYS HA H 1 4.271 0.020 . 1 . . 1 . 63 LYS HA . 17508 1 669 . 1 1 63 63 LYS CB C 13 33.953 0.400 . 1 . . 1 . 63 LYS CB . 17508 1 670 . 1 1 63 63 LYS HB2 H 1 1.881 0.020 . 2 . . 1 . 63 LYS HB2 . 17508 1 671 . 1 1 63 63 LYS HB3 H 1 1.529 0.020 . 2 . . 1 . 63 LYS HB3 . 17508 1 672 . 1 1 63 63 LYS CG C 13 25.088 0.400 . 1 . . 1 . 63 LYS CG . 17508 1 673 . 1 1 63 63 LYS HG2 H 1 1.433 0.020 . 1 . . 1 . 63 LYS HG2 . 17508 1 674 . 1 1 63 63 LYS HG3 H 1 1.433 0.020 . 1 . . 1 . 63 LYS HG3 . 17508 1 675 . 1 1 63 63 LYS CD C 13 28.847 0.400 . 1 . . 1 . 63 LYS CD . 17508 1 676 . 1 1 63 63 LYS HD2 H 1 1.594 0.020 . 2 . . 1 . 63 LYS HD2 . 17508 1 677 . 1 1 63 63 LYS HD3 H 1 1.681 0.020 . 2 . . 1 . 63 LYS HD3 . 17508 1 678 . 1 1 63 63 LYS CE C 13 41.664 0.400 . 1 . . 1 . 63 LYS CE . 17508 1 679 . 1 1 63 63 LYS HE2 H 1 2.976 0.020 . 1 . . 1 . 63 LYS HE2 . 17508 1 680 . 1 1 63 63 LYS HE3 H 1 2.977 0.020 . 1 . . 1 . 63 LYS HE3 . 17508 1 681 . 1 1 63 63 LYS C C 13 176.709 0.400 . 1 . . 1 . 63 LYS C . 17508 1 682 . 1 1 64 64 GLY N N 15 108.295 0.400 . 1 . . 1 . 64 GLY N . 17508 1 683 . 1 1 64 64 GLY H H 1 8.330 0.020 . 1 . . 1 . 64 GLY H . 17508 1 684 . 1 1 64 64 GLY CA C 13 46.078 0.400 . 1 . . 1 . 64 GLY CA . 17508 1 685 . 1 1 64 64 GLY HA2 H 1 3.744 0.020 . 2 . . 1 . 64 GLY HA2 . 17508 1 686 . 1 1 64 64 GLY HA3 H 1 4.240 0.020 . 2 . . 1 . 64 GLY HA3 . 17508 1 687 . 1 1 64 64 GLY C C 13 172.404 0.400 . 1 . . 1 . 64 GLY C . 17508 1 688 . 1 1 65 65 GLU N N 15 115.910 0.400 . 1 . . 1 . 65 GLU N . 17508 1 689 . 1 1 65 65 GLU H H 1 7.146 0.020 . 1 . . 1 . 65 GLU H . 17508 1 690 . 1 1 65 65 GLU CA C 13 52.750 0.400 . 1 . . 1 . 65 GLU CA . 17508 1 691 . 1 1 65 65 GLU HA H 1 5.512 0.020 . 1 . . 1 . 65 GLU HA . 17508 1 692 . 1 1 65 65 GLU CB C 13 33.988 0.400 . 1 . . 1 . 65 GLU CB . 17508 1 693 . 1 1 65 65 GLU HB2 H 1 1.976 0.020 . 2 . . 1 . 65 GLU HB2 . 17508 1 694 . 1 1 65 65 GLU HB3 H 1 1.824 0.020 . 2 . . 1 . 65 GLU HB3 . 17508 1 695 . 1 1 65 65 GLU CG C 13 36.266 0.400 . 1 . . 1 . 65 GLU CG . 17508 1 696 . 1 1 65 65 GLU HG2 H 1 2.192 0.020 . 2 . . 1 . 65 GLU HG2 . 17508 1 697 . 1 1 65 65 GLU HG3 H 1 2.136 0.020 . 2 . . 1 . 65 GLU HG3 . 17508 1 698 . 1 1 65 65 GLU C C 13 176.460 0.400 . 1 . . 1 . 65 GLU C . 17508 1 699 . 1 1 66 66 ALA N N 15 123.684 0.400 . 1 . . 1 . 66 ALA N . 17508 1 700 . 1 1 66 66 ALA H H 1 8.920 0.020 . 1 . . 1 . 66 ALA H . 17508 1 701 . 1 1 66 66 ALA CA C 13 50.671 0.400 . 1 . . 1 . 66 ALA CA . 17508 1 702 . 1 1 66 66 ALA HA H 1 5.586 0.020 . 1 . . 1 . 66 ALA HA . 17508 1 703 . 1 1 66 66 ALA CB C 13 23.795 0.400 . 1 . . 1 . 66 ALA CB . 17508 1 704 . 1 1 66 66 ALA HB1 H 1 0.960 0.020 . 1 . . 1 . 66 ALA HB1 . 17508 1 705 . 1 1 66 66 ALA HB2 H 1 0.960 0.020 . 1 . . 1 . 66 ALA HB2 . 17508 1 706 . 1 1 66 66 ALA HB3 H 1 0.960 0.020 . 1 . . 1 . 66 ALA HB3 . 17508 1 707 . 1 1 66 66 ALA C C 13 176.314 0.400 . 1 . . 1 . 66 ALA C . 17508 1 708 . 1 1 67 67 THR N N 15 108.088 0.400 . 1 . . 1 . 67 THR N . 17508 1 709 . 1 1 67 67 THR H H 1 8.427 0.020 . 1 . . 1 . 67 THR H . 17508 1 710 . 1 1 67 67 THR CA C 13 59.225 0.400 . 1 . . 1 . 67 THR CA . 17508 1 711 . 1 1 67 67 THR HA H 1 5.751 0.020 . 1 . . 1 . 67 THR HA . 17508 1 712 . 1 1 67 67 THR CB C 13 70.881 0.400 . 1 . . 1 . 67 THR CB . 17508 1 713 . 1 1 67 67 THR HB H 1 4.100 0.020 . 1 . . 1 . 67 THR HB . 17508 1 714 . 1 1 67 67 THR CG2 C 13 22.145 0.400 . 1 . . 1 . 67 THR CG2 . 17508 1 715 . 1 1 67 67 THR HG21 H 1 1.452 0.020 . 1 . . 1 . 67 THR HG21 . 17508 1 716 . 1 1 67 67 THR HG22 H 1 1.452 0.020 . 1 . . 1 . 67 THR HG22 . 17508 1 717 . 1 1 67 67 THR HG23 H 1 1.452 0.020 . 1 . . 1 . 67 THR HG23 . 17508 1 718 . 1 1 67 67 THR C C 13 174.193 0.400 . 1 . . 1 . 67 THR C . 17508 1 719 . 1 1 68 68 VAL N N 15 119.930 0.400 . 1 . . 1 . 68 VAL N . 17508 1 720 . 1 1 68 68 VAL H H 1 8.085 0.020 . 1 . . 1 . 68 VAL H . 17508 1 721 . 1 1 68 68 VAL CA C 13 61.007 0.400 . 1 . . 1 . 68 VAL CA . 17508 1 722 . 1 1 68 68 VAL HA H 1 4.246 0.020 . 1 . . 1 . 68 VAL HA . 17508 1 723 . 1 1 68 68 VAL CB C 13 34.595 0.400 . 1 . . 1 . 68 VAL CB . 17508 1 724 . 1 1 68 68 VAL HB H 1 1.353 0.020 . 1 . . 1 . 68 VAL HB . 17508 1 725 . 1 1 68 68 VAL CG1 C 13 20.646 0.400 . 1 . . 1 . 68 VAL CG1 . 17508 1 726 . 1 1 68 68 VAL HG11 H 1 0.007 0.020 . 2 . . 1 . 68 VAL HG11 . 17508 1 727 . 1 1 68 68 VAL HG12 H 1 0.007 0.020 . 2 . . 1 . 68 VAL HG12 . 17508 1 728 . 1 1 68 68 VAL HG13 H 1 0.007 0.020 . 2 . . 1 . 68 VAL HG13 . 17508 1 729 . 1 1 68 68 VAL CG2 C 13 19.514 0.400 . 1 . . 1 . 68 VAL CG2 . 17508 1 730 . 1 1 68 68 VAL HG21 H 1 0.295 0.020 . 2 . . 1 . 68 VAL HG21 . 17508 1 731 . 1 1 68 68 VAL HG22 H 1 0.295 0.020 . 2 . . 1 . 68 VAL HG22 . 17508 1 732 . 1 1 68 68 VAL HG23 H 1 0.295 0.020 . 2 . . 1 . 68 VAL HG23 . 17508 1 733 . 1 1 68 68 VAL C C 13 174.339 0.400 . 1 . . 1 . 68 VAL C . 17508 1 734 . 1 1 69 69 SER N N 15 121.553 0.400 . 1 . . 1 . 69 SER N . 17508 1 735 . 1 1 69 69 SER H H 1 7.678 0.020 . 1 . . 1 . 69 SER H . 17508 1 736 . 1 1 69 69 SER CA C 13 57.265 0.400 . 1 . . 1 . 69 SER CA . 17508 1 737 . 1 1 69 69 SER HA H 1 5.238 0.020 . 1 . . 1 . 69 SER HA . 17508 1 738 . 1 1 69 69 SER CB C 13 64.216 0.400 . 1 . . 1 . 69 SER CB . 17508 1 739 . 1 1 69 69 SER HB2 H 1 3.701 0.020 . 2 . . 1 . 69 SER HB2 . 17508 1 740 . 1 1 69 69 SER HB3 H 1 3.630 0.020 . 2 . . 1 . 69 SER HB3 . 17508 1 741 . 1 1 69 69 SER C C 13 172.467 0.400 . 1 . . 1 . 69 SER C . 17508 1 742 . 1 1 70 70 PHE N N 15 122.570 0.400 . 1 . . 1 . 70 PHE N . 17508 1 743 . 1 1 70 70 PHE H H 1 8.962 0.020 . 1 . . 1 . 70 PHE H . 17508 1 744 . 1 1 70 70 PHE CA C 13 58.050 0.400 . 1 . . 1 . 70 PHE CA . 17508 1 745 . 1 1 70 70 PHE HA H 1 4.818 0.020 . 1 . . 1 . 70 PHE HA . 17508 1 746 . 1 1 70 70 PHE CB C 13 41.652 0.400 . 1 . . 1 . 70 PHE CB . 17508 1 747 . 1 1 70 70 PHE HB2 H 1 3.435 0.020 . 2 . . 1 . 70 PHE HB2 . 17508 1 748 . 1 1 70 70 PHE HB3 H 1 2.779 0.020 . 2 . . 1 . 70 PHE HB3 . 17508 1 749 . 1 1 70 70 PHE CD1 C 13 131.419 0.400 . 1 . . 1 . 70 PHE CD1 . 17508 1 750 . 1 1 70 70 PHE HD1 H 1 7.051 0.020 . 1 . . 1 . 70 PHE HD1 . 17508 1 751 . 1 1 70 70 PHE CE1 C 13 130.880 0.400 . 1 . . 1 . 70 PHE CE1 . 17508 1 752 . 1 1 70 70 PHE HE1 H 1 6.968 0.020 . 1 . . 1 . 70 PHE HE1 . 17508 1 753 . 1 1 70 70 PHE CZ C 13 128.204 0.400 . 1 . . 1 . 70 PHE CZ . 17508 1 754 . 1 1 70 70 PHE HZ H 1 6.823 0.020 . 1 . . 1 . 70 PHE HZ . 17508 1 755 . 1 1 70 70 PHE CE2 C 13 130.948 0.400 . 1 . . 1 . 70 PHE CE2 . 17508 1 756 . 1 1 70 70 PHE HE2 H 1 6.968 0.020 . 1 . . 1 . 70 PHE HE2 . 17508 1 757 . 1 1 70 70 PHE CD2 C 13 131.378 0.400 . 1 . . 1 . 70 PHE CD2 . 17508 1 758 . 1 1 70 70 PHE HD2 H 1 7.051 0.020 . 1 . . 1 . 70 PHE HD2 . 17508 1 759 . 1 1 70 70 PHE C C 13 175.628 0.400 . 1 . . 1 . 70 PHE C . 17508 1 760 . 1 1 71 71 ASP N N 15 119.979 0.400 . 1 . . 1 . 71 ASP N . 17508 1 761 . 1 1 71 71 ASP H H 1 8.450 0.020 . 1 . . 1 . 71 ASP H . 17508 1 762 . 1 1 71 71 ASP CA C 13 57.158 0.400 . 1 . . 1 . 71 ASP CA . 17508 1 763 . 1 1 71 71 ASP HA H 1 4.413 0.020 . 1 . . 1 . 71 ASP HA . 17508 1 764 . 1 1 71 71 ASP CB C 13 41.973 0.400 . 1 . . 1 . 71 ASP CB . 17508 1 765 . 1 1 71 71 ASP HB2 H 1 2.587 0.020 . 2 . . 1 . 71 ASP HB2 . 17508 1 766 . 1 1 71 71 ASP HB3 H 1 2.377 0.020 . 2 . . 1 . 71 ASP HB3 . 17508 1 767 . 1 1 71 71 ASP C C 13 175.753 0.400 . 1 . . 1 . 71 ASP C . 17508 1 768 . 1 1 72 72 ASP N N 15 116.741 0.400 . 1 . . 1 . 72 ASP N . 17508 1 769 . 1 1 72 72 ASP H H 1 8.477 0.020 . 1 . . 1 . 72 ASP H . 17508 1 770 . 1 1 72 72 ASP CA C 13 50.278 0.400 . 1 . . 1 . 72 ASP CA . 17508 1 771 . 1 1 72 72 ASP HA H 1 5.386 0.020 . 1 . . 1 . 72 ASP HA . 17508 1 772 . 1 1 72 72 ASP CB C 13 42.633 0.400 . 1 . . 1 . 72 ASP CB . 17508 1 773 . 1 1 72 72 ASP HB2 H 1 2.820 0.020 . 2 . . 1 . 72 ASP HB2 . 17508 1 774 . 1 1 72 72 ASP HB3 H 1 2.718 0.020 . 2 . . 1 . 72 ASP HB3 . 17508 1 775 . 1 1 73 73 PRO CD C 13 50.800 0.400 . 1 . . 1 . 73 PRO CD . 17508 1 776 . 1 1 73 73 PRO CA C 13 66.799 0.400 . 1 . . 1 . 73 PRO CA . 17508 1 777 . 1 1 73 73 PRO HA H 1 4.397 0.020 . 1 . . 1 . 73 PRO HA . 17508 1 778 . 1 1 73 73 PRO CB C 13 29.263 0.400 . 1 . . 1 . 73 PRO CB . 17508 1 779 . 1 1 73 73 PRO HB2 H 1 2.163 0.020 . 2 . . 1 . 73 PRO HB2 . 17508 1 780 . 1 1 73 73 PRO HB3 H 1 2.299 0.020 . 2 . . 1 . 73 PRO HB3 . 17508 1 781 . 1 1 73 73 PRO CG C 13 28.038 0.400 . 1 . . 1 . 73 PRO CG . 17508 1 782 . 1 1 73 73 PRO HG2 H 1 2.357 0.020 . 2 . . 1 . 73 PRO HG2 . 17508 1 783 . 1 1 73 73 PRO HG3 H 1 1.949 0.020 . 2 . . 1 . 73 PRO HG3 . 17508 1 784 . 1 1 73 73 PRO HD2 H 1 4.275 0.020 . 2 . . 1 . 73 PRO HD2 . 17508 1 785 . 1 1 73 73 PRO HD3 H 1 3.881 0.020 . 2 . . 1 . 73 PRO HD3 . 17508 1 786 . 1 1 74 74 PRO CD C 13 50.289 0.400 . 1 . . 1 . 74 PRO CD . 17508 1 787 . 1 1 74 74 PRO CA C 13 65.891 0.400 . 1 . . 1 . 74 PRO CA . 17508 1 788 . 1 1 74 74 PRO HA H 1 4.404 0.020 . 1 . . 1 . 74 PRO HA . 17508 1 789 . 1 1 74 74 PRO CB C 13 30.959 0.400 . 1 . . 1 . 74 PRO CB . 17508 1 790 . 1 1 74 74 PRO HB2 H 1 1.837 0.020 . 2 . . 1 . 74 PRO HB2 . 17508 1 791 . 1 1 74 74 PRO HB3 H 1 2.379 0.020 . 2 . . 1 . 74 PRO HB3 . 17508 1 792 . 1 1 74 74 PRO CG C 13 28.209 0.400 . 1 . . 1 . 74 PRO CG . 17508 1 793 . 1 1 74 74 PRO HG2 H 1 2.105 0.020 . 2 . . 1 . 74 PRO HG2 . 17508 1 794 . 1 1 74 74 PRO HG3 H 1 1.983 0.020 . 2 . . 1 . 74 PRO HG3 . 17508 1 795 . 1 1 74 74 PRO HD2 H 1 3.690 0.020 . 2 . . 1 . 74 PRO HD2 . 17508 1 796 . 1 1 74 74 PRO HD3 H 1 3.471 0.020 . 2 . . 1 . 74 PRO HD3 . 17508 1 797 . 1 1 74 74 PRO C C 13 178.852 0.400 . 1 . . 1 . 74 PRO C . 17508 1 798 . 1 1 75 75 SER N N 15 114.384 0.400 . 1 . . 1 . 75 SER N . 17508 1 799 . 1 1 75 75 SER H H 1 8.059 0.020 . 1 . . 1 . 75 SER H . 17508 1 800 . 1 1 75 75 SER CA C 13 61.554 0.400 . 1 . . 1 . 75 SER CA . 17508 1 801 . 1 1 75 75 SER HA H 1 4.019 0.020 . 1 . . 1 . 75 SER HA . 17508 1 802 . 1 1 75 75 SER CB C 13 62.719 0.400 . 1 . . 1 . 75 SER CB . 17508 1 803 . 1 1 75 75 SER HB2 H 1 3.035 0.020 . 2 . . 1 . 75 SER HB2 . 17508 1 804 . 1 1 75 75 SER HB3 H 1 3.885 0.020 . 2 . . 1 . 75 SER HB3 . 17508 1 805 . 1 1 75 75 SER C C 13 173.756 0.400 . 1 . . 1 . 75 SER C . 17508 1 806 . 1 1 76 76 ALA N N 15 122.424 0.400 . 1 . . 1 . 76 ALA N . 17508 1 807 . 1 1 76 76 ALA H H 1 7.443 0.020 . 1 . . 1 . 76 ALA H . 17508 1 808 . 1 1 76 76 ALA CA C 13 54.828 0.400 . 1 . . 1 . 76 ALA CA . 17508 1 809 . 1 1 76 76 ALA HA H 1 3.599 0.020 . 1 . . 1 . 76 ALA HA . 17508 1 810 . 1 1 76 76 ALA CB C 13 17.699 0.400 . 1 . . 1 . 76 ALA CB . 17508 1 811 . 1 1 76 76 ALA HB1 H 1 1.600 0.020 . 1 . . 1 . 76 ALA HB1 . 17508 1 812 . 1 1 76 76 ALA HB2 H 1 1.600 0.020 . 1 . . 1 . 76 ALA HB2 . 17508 1 813 . 1 1 76 76 ALA HB3 H 1 1.600 0.020 . 1 . . 1 . 76 ALA HB3 . 17508 1 814 . 1 1 76 76 ALA C C 13 177.708 0.400 . 1 . . 1 . 76 ALA C . 17508 1 815 . 1 1 77 77 LYS N N 15 116.163 0.400 . 1 . . 1 . 77 LYS N . 17508 1 816 . 1 1 77 77 LYS H H 1 7.199 0.020 . 1 . . 1 . 77 LYS H . 17508 1 817 . 1 1 77 77 LYS CA C 13 58.583 0.400 . 1 . . 1 . 77 LYS CA . 17508 1 818 . 1 1 77 77 LYS HA H 1 3.791 0.020 . 1 . . 1 . 77 LYS HA . 17508 1 819 . 1 1 77 77 LYS CB C 13 32.145 0.400 . 1 . . 1 . 77 LYS CB . 17508 1 820 . 1 1 77 77 LYS HB2 H 1 1.977 0.020 . 2 . . 1 . 77 LYS HB2 . 17508 1 821 . 1 1 77 77 LYS HB3 H 1 2.106 0.020 . 2 . . 1 . 77 LYS HB3 . 17508 1 822 . 1 1 77 77 LYS CG C 13 24.861 0.400 . 1 . . 1 . 77 LYS CG . 17508 1 823 . 1 1 77 77 LYS HG2 H 1 1.568 0.020 . 1 . . 1 . 77 LYS HG2 . 17508 1 824 . 1 1 77 77 LYS HG3 H 1 1.569 0.020 . 1 . . 1 . 77 LYS HG3 . 17508 1 825 . 1 1 77 77 LYS CD C 13 28.524 0.400 . 1 . . 1 . 77 LYS CD . 17508 1 826 . 1 1 77 77 LYS HD2 H 1 1.702 0.020 . 2 . . 1 . 77 LYS HD2 . 17508 1 827 . 1 1 77 77 LYS HD3 H 1 1.867 0.020 . 2 . . 1 . 77 LYS HD3 . 17508 1 828 . 1 1 77 77 LYS CE C 13 42.083 0.400 . 1 . . 1 . 77 LYS CE . 17508 1 829 . 1 1 77 77 LYS HE2 H 1 3.070 0.020 . 2 . . 1 . 77 LYS HE2 . 17508 1 830 . 1 1 77 77 LYS HE3 H 1 3.089 0.020 . 2 . . 1 . 77 LYS HE3 . 17508 1 831 . 1 1 77 77 LYS C C 13 177.916 0.400 . 1 . . 1 . 77 LYS C . 17508 1 832 . 1 1 78 78 ALA N N 15 119.688 0.400 . 1 . . 1 . 78 ALA N . 17508 1 833 . 1 1 78 78 ALA H H 1 7.872 0.020 . 1 . . 1 . 78 ALA H . 17508 1 834 . 1 1 78 78 ALA CA C 13 54.449 0.400 . 1 . . 1 . 78 ALA CA . 17508 1 835 . 1 1 78 78 ALA HA H 1 4.155 0.020 . 1 . . 1 . 78 ALA HA . 17508 1 836 . 1 1 78 78 ALA CB C 13 17.556 0.400 . 1 . . 1 . 78 ALA CB . 17508 1 837 . 1 1 78 78 ALA HB1 H 1 1.398 0.020 . 1 . . 1 . 78 ALA HB1 . 17508 1 838 . 1 1 78 78 ALA HB2 H 1 1.398 0.020 . 1 . . 1 . 78 ALA HB2 . 17508 1 839 . 1 1 78 78 ALA HB3 H 1 1.398 0.020 . 1 . . 1 . 78 ALA HB3 . 17508 1 840 . 1 1 78 78 ALA C C 13 179.684 0.400 . 1 . . 1 . 78 ALA C . 17508 1 841 . 1 1 79 79 ALA N N 15 120.328 0.400 . 1 . . 1 . 79 ALA N . 17508 1 842 . 1 1 79 79 ALA H H 1 8.120 0.020 . 1 . . 1 . 79 ALA H . 17508 1 843 . 1 1 79 79 ALA CA C 13 55.090 0.400 . 1 . . 1 . 79 ALA CA . 17508 1 844 . 1 1 79 79 ALA HA H 1 4.268 0.020 . 1 . . 1 . 79 ALA HA . 17508 1 845 . 1 1 79 79 ALA CB C 13 18.804 0.400 . 1 . . 1 . 79 ALA CB . 17508 1 846 . 1 1 79 79 ALA HB1 H 1 1.668 0.020 . 1 . . 1 . 79 ALA HB1 . 17508 1 847 . 1 1 79 79 ALA HB2 H 1 1.668 0.020 . 1 . . 1 . 79 ALA HB2 . 17508 1 848 . 1 1 79 79 ALA HB3 H 1 1.668 0.020 . 1 . . 1 . 79 ALA HB3 . 17508 1 849 . 1 1 79 79 ALA C C 13 179.309 0.400 . 1 . . 1 . 79 ALA C . 17508 1 850 . 1 1 80 80 ILE N N 15 119.634 0.400 . 1 . . 1 . 80 ILE N . 17508 1 851 . 1 1 80 80 ILE H H 1 7.571 0.020 . 1 . . 1 . 80 ILE H . 17508 1 852 . 1 1 80 80 ILE CA C 13 65.570 0.400 . 1 . . 1 . 80 ILE CA . 17508 1 853 . 1 1 80 80 ILE HA H 1 3.415 0.020 . 1 . . 1 . 80 ILE HA . 17508 1 854 . 1 1 80 80 ILE CB C 13 38.409 0.400 . 1 . . 1 . 80 ILE CB . 17508 1 855 . 1 1 80 80 ILE HB H 1 1.720 0.020 . 1 . . 1 . 80 ILE HB . 17508 1 856 . 1 1 80 80 ILE CG2 C 13 16.658 0.400 . 1 . . 1 . 80 ILE CG2 . 17508 1 857 . 1 1 80 80 ILE HG21 H 1 0.844 0.020 . 1 . . 1 . 80 ILE HG21 . 17508 1 858 . 1 1 80 80 ILE HG22 H 1 0.844 0.020 . 1 . . 1 . 80 ILE HG22 . 17508 1 859 . 1 1 80 80 ILE HG23 H 1 0.844 0.020 . 1 . . 1 . 80 ILE HG23 . 17508 1 860 . 1 1 80 80 ILE CG1 C 13 29.071 0.400 . 1 . . 1 . 80 ILE CG1 . 17508 1 861 . 1 1 80 80 ILE HG12 H 1 1.452 0.020 . 2 . . 1 . 80 ILE HG12 . 17508 1 862 . 1 1 80 80 ILE HG13 H 1 0.364 0.020 . 2 . . 1 . 80 ILE HG13 . 17508 1 863 . 1 1 80 80 ILE CD1 C 13 12.892 0.400 . 1 . . 1 . 80 ILE CD1 . 17508 1 864 . 1 1 80 80 ILE HD11 H 1 -0.178 0.020 . 1 . . 1 . 80 ILE HD11 . 17508 1 865 . 1 1 80 80 ILE HD12 H 1 -0.178 0.020 . 1 . . 1 . 80 ILE HD12 . 17508 1 866 . 1 1 80 80 ILE HD13 H 1 -0.178 0.020 . 1 . . 1 . 80 ILE HD13 . 17508 1 867 . 1 1 80 80 ILE C C 13 177.895 0.400 . 1 . . 1 . 80 ILE C . 17508 1 868 . 1 1 81 81 ASP N N 15 117.783 0.400 . 1 . . 1 . 81 ASP N . 17508 1 869 . 1 1 81 81 ASP H H 1 7.955 0.020 . 1 . . 1 . 81 ASP H . 17508 1 870 . 1 1 81 81 ASP CA C 13 56.837 0.400 . 1 . . 1 . 81 ASP CA . 17508 1 871 . 1 1 81 81 ASP HA H 1 4.314 0.020 . 1 . . 1 . 81 ASP HA . 17508 1 872 . 1 1 81 81 ASP CB C 13 40.298 0.400 . 1 . . 1 . 81 ASP CB . 17508 1 873 . 1 1 81 81 ASP HB2 H 1 2.717 0.020 . 2 . . 1 . 81 ASP HB2 . 17508 1 874 . 1 1 81 81 ASP HB3 H 1 2.631 0.020 . 2 . . 1 . 81 ASP HB3 . 17508 1 875 . 1 1 81 81 ASP C C 13 178.290 0.400 . 1 . . 1 . 81 ASP C . 17508 1 876 . 1 1 82 82 TRP N N 15 117.218 0.400 . 1 . . 1 . 82 TRP N . 17508 1 877 . 1 1 82 82 TRP H H 1 8.493 0.020 . 1 . . 1 . 82 TRP H . 17508 1 878 . 1 1 82 82 TRP CA C 13 59.118 0.400 . 1 . . 1 . 82 TRP CA . 17508 1 879 . 1 1 82 82 TRP HA H 1 4.363 0.020 . 1 . . 1 . 82 TRP HA . 17508 1 880 . 1 1 82 82 TRP CB C 13 30.567 0.400 . 1 . . 1 . 82 TRP CB . 17508 1 881 . 1 1 82 82 TRP HB2 H 1 2.538 0.020 . 2 . . 1 . 82 TRP HB2 . 17508 1 882 . 1 1 82 82 TRP HB3 H 1 3.093 0.020 . 2 . . 1 . 82 TRP HB3 . 17508 1 883 . 1 1 82 82 TRP CD1 C 13 126.579 0.400 . 1 . . 1 . 82 TRP CD1 . 17508 1 884 . 1 1 82 82 TRP CE3 C 13 120.507 0.400 . 1 . . 1 . 82 TRP CE3 . 17508 1 885 . 1 1 82 82 TRP NE1 N 15 127.963 0.400 . 1 . . 1 . 82 TRP NE1 . 17508 1 886 . 1 1 82 82 TRP HD1 H 1 5.259 0.020 . 1 . . 1 . 82 TRP HD1 . 17508 1 887 . 1 1 82 82 TRP HE3 H 1 7.390 0.020 . 1 . . 1 . 82 TRP HE3 . 17508 1 888 . 1 1 82 82 TRP CZ3 C 13 121.570 0.400 . 1 . . 1 . 82 TRP CZ3 . 17508 1 889 . 1 1 82 82 TRP CZ2 C 13 114.077 0.400 . 1 . . 1 . 82 TRP CZ2 . 17508 1 890 . 1 1 82 82 TRP HE1 H 1 9.781 0.020 . 1 . . 1 . 82 TRP HE1 . 17508 1 891 . 1 1 82 82 TRP HZ3 H 1 7.037 0.020 . 1 . . 1 . 82 TRP HZ3 . 17508 1 892 . 1 1 82 82 TRP CH2 C 13 124.251 0.400 . 1 . . 1 . 82 TRP CH2 . 17508 1 893 . 1 1 82 82 TRP HZ2 H 1 7.339 0.020 . 1 . . 1 . 82 TRP HZ2 . 17508 1 894 . 1 1 82 82 TRP HH2 H 1 7.136 0.020 . 1 . . 1 . 82 TRP HH2 . 17508 1 895 . 1 1 82 82 TRP C C 13 177.084 0.400 . 1 . . 1 . 82 TRP C . 17508 1 896 . 1 1 83 83 PHE N N 15 111.914 0.400 . 1 . . 1 . 83 PHE N . 17508 1 897 . 1 1 83 83 PHE H H 1 8.478 0.020 . 1 . . 1 . 83 PHE H . 17508 1 898 . 1 1 83 83 PHE CA C 13 59.511 0.400 . 1 . . 1 . 83 PHE CA . 17508 1 899 . 1 1 83 83 PHE HA H 1 4.659 0.020 . 1 . . 1 . 83 PHE HA . 17508 1 900 . 1 1 83 83 PHE CB C 13 40.440 0.400 . 1 . . 1 . 83 PHE CB . 17508 1 901 . 1 1 83 83 PHE HB2 H 1 3.428 0.020 . 2 . . 1 . 83 PHE HB2 . 17508 1 902 . 1 1 83 83 PHE HB3 H 1 3.483 0.020 . 2 . . 1 . 83 PHE HB3 . 17508 1 903 . 1 1 83 83 PHE CD1 C 13 131.982 0.400 . 1 . . 1 . 83 PHE CD1 . 17508 1 904 . 1 1 83 83 PHE HD1 H 1 7.557 0.020 . 1 . . 1 . 83 PHE HD1 . 17508 1 905 . 1 1 83 83 PHE CE1 C 13 131.088 0.400 . 1 . . 1 . 83 PHE CE1 . 17508 1 906 . 1 1 83 83 PHE HE1 H 1 6.984 0.020 . 1 . . 1 . 83 PHE HE1 . 17508 1 907 . 1 1 83 83 PHE CZ C 13 129.710 0.400 . 1 . . 1 . 83 PHE CZ . 17508 1 908 . 1 1 83 83 PHE HZ H 1 6.948 0.020 . 1 . . 1 . 83 PHE HZ . 17508 1 909 . 1 1 83 83 PHE CE2 C 13 131.106 0.400 . 1 . . 1 . 83 PHE CE2 . 17508 1 910 . 1 1 83 83 PHE HE2 H 1 6.984 0.020 . 1 . . 1 . 83 PHE HE2 . 17508 1 911 . 1 1 83 83 PHE CD2 C 13 131.987 0.400 . 1 . . 1 . 83 PHE CD2 . 17508 1 912 . 1 1 83 83 PHE HD2 H 1 7.557 0.020 . 1 . . 1 . 83 PHE HD2 . 17508 1 913 . 1 1 83 83 PHE C C 13 176.522 0.400 . 1 . . 1 . 83 PHE C . 17508 1 914 . 1 1 84 84 ASP N N 15 118.259 0.400 . 1 . . 1 . 84 ASP N . 17508 1 915 . 1 1 84 84 ASP H H 1 7.950 0.020 . 1 . . 1 . 84 ASP H . 17508 1 916 . 1 1 84 84 ASP CA C 13 58.263 0.400 . 1 . . 1 . 84 ASP CA . 17508 1 917 . 1 1 84 84 ASP HA H 1 4.459 0.020 . 1 . . 1 . 84 ASP HA . 17508 1 918 . 1 1 84 84 ASP CB C 13 41.758 0.400 . 1 . . 1 . 84 ASP CB . 17508 1 919 . 1 1 84 84 ASP HB2 H 1 3.193 0.020 . 2 . . 1 . 84 ASP HB2 . 17508 1 920 . 1 1 84 84 ASP HB3 H 1 2.776 0.020 . 2 . . 1 . 84 ASP HB3 . 17508 1 921 . 1 1 84 84 ASP C C 13 177.770 0.400 . 1 . . 1 . 84 ASP C . 17508 1 922 . 1 1 85 85 GLY N N 15 115.401 0.400 . 1 . . 1 . 85 GLY N . 17508 1 923 . 1 1 85 85 GLY H H 1 8.617 0.020 . 1 . . 1 . 85 GLY H . 17508 1 924 . 1 1 85 85 GLY CA C 13 45.914 0.400 . 1 . . 1 . 85 GLY CA . 17508 1 925 . 1 1 85 85 GLY HA2 H 1 3.882 0.020 . 2 . . 1 . 85 GLY HA2 . 17508 1 926 . 1 1 85 85 GLY HA3 H 1 4.263 0.020 . 2 . . 1 . 85 GLY HA3 . 17508 1 927 . 1 1 85 85 GLY C C 13 174.651 0.400 . 1 . . 1 . 85 GLY C . 17508 1 928 . 1 1 86 86 LYS N N 15 120.172 0.400 . 1 . . 1 . 86 LYS N . 17508 1 929 . 1 1 86 86 LYS H H 1 8.009 0.020 . 1 . . 1 . 86 LYS H . 17508 1 930 . 1 1 86 86 LYS CA C 13 54.828 0.400 . 1 . . 1 . 86 LYS CA . 17508 1 931 . 1 1 86 86 LYS HA H 1 4.463 0.020 . 1 . . 1 . 86 LYS HA . 17508 1 932 . 1 1 86 86 LYS CB C 13 32.165 0.400 . 1 . . 1 . 86 LYS CB . 17508 1 933 . 1 1 86 86 LYS HB2 H 1 2.068 0.020 . 2 . . 1 . 86 LYS HB2 . 17508 1 934 . 1 1 86 86 LYS HB3 H 1 2.283 0.020 . 2 . . 1 . 86 LYS HB3 . 17508 1 935 . 1 1 86 86 LYS CG C 13 25.896 0.400 . 1 . . 1 . 86 LYS CG . 17508 1 936 . 1 1 86 86 LYS HG2 H 1 1.495 0.020 . 2 . . 1 . 86 LYS HG2 . 17508 1 937 . 1 1 86 86 LYS HG3 H 1 1.249 0.020 . 2 . . 1 . 86 LYS HG3 . 17508 1 938 . 1 1 86 86 LYS CD C 13 27.731 0.400 . 1 . . 1 . 86 LYS CD . 17508 1 939 . 1 1 86 86 LYS HD2 H 1 1.542 0.020 . 2 . . 1 . 86 LYS HD2 . 17508 1 940 . 1 1 86 86 LYS HD3 H 1 1.421 0.020 . 2 . . 1 . 86 LYS HD3 . 17508 1 941 . 1 1 86 86 LYS CE C 13 42.286 0.400 . 1 . . 1 . 86 LYS CE . 17508 1 942 . 1 1 86 86 LYS HE2 H 1 2.447 0.020 . 2 . . 1 . 86 LYS HE2 . 17508 1 943 . 1 1 86 86 LYS HE3 H 1 2.665 0.020 . 2 . . 1 . 86 LYS HE3 . 17508 1 944 . 1 1 86 86 LYS C C 13 174.505 0.400 . 1 . . 1 . 86 LYS C . 17508 1 945 . 1 1 87 87 GLU N N 15 115.595 0.400 . 1 . . 1 . 87 GLU N . 17508 1 946 . 1 1 87 87 GLU H H 1 8.193 0.020 . 1 . . 1 . 87 GLU H . 17508 1 947 . 1 1 87 87 GLU CA C 13 55.309 0.400 . 1 . . 1 . 87 GLU CA . 17508 1 948 . 1 1 87 87 GLU HA H 1 4.700 0.020 . 1 . . 1 . 87 GLU HA . 17508 1 949 . 1 1 87 87 GLU CB C 13 31.709 0.400 . 1 . . 1 . 87 GLU CB . 17508 1 950 . 1 1 87 87 GLU HB2 H 1 1.884 0.020 . 2 . . 1 . 87 GLU HB2 . 17508 1 951 . 1 1 87 87 GLU HB3 H 1 1.559 0.020 . 2 . . 1 . 87 GLU HB3 . 17508 1 952 . 1 1 87 87 GLU CG C 13 36.113 0.400 . 1 . . 1 . 87 GLU CG . 17508 1 953 . 1 1 87 87 GLU HG2 H 1 1.800 0.020 . 2 . . 1 . 87 GLU HG2 . 17508 1 954 . 1 1 87 87 GLU HG3 H 1 2.197 0.020 . 2 . . 1 . 87 GLU HG3 . 17508 1 955 . 1 1 87 87 GLU C C 13 177.063 0.400 . 1 . . 1 . 87 GLU C . 17508 1 956 . 1 1 88 88 PHE N N 15 126.953 0.400 . 1 . . 1 . 88 PHE N . 17508 1 957 . 1 1 88 88 PHE H H 1 9.161 0.020 . 1 . . 1 . 88 PHE H . 17508 1 958 . 1 1 88 88 PHE CA C 13 56.414 0.400 . 1 . . 1 . 88 PHE CA . 17508 1 959 . 1 1 88 88 PHE HA H 1 4.483 0.020 . 1 . . 1 . 88 PHE HA . 17508 1 960 . 1 1 88 88 PHE CB C 13 41.857 0.400 . 1 . . 1 . 88 PHE CB . 17508 1 961 . 1 1 88 88 PHE HB2 H 1 2.177 0.020 . 2 . . 1 . 88 PHE HB2 . 17508 1 962 . 1 1 88 88 PHE HB3 H 1 2.871 0.020 . 2 . . 1 . 88 PHE HB3 . 17508 1 963 . 1 1 88 88 PHE CD1 C 13 131.902 0.400 . 1 . . 1 . 88 PHE CD1 . 17508 1 964 . 1 1 88 88 PHE HD1 H 1 6.216 0.020 . 1 . . 1 . 88 PHE HD1 . 17508 1 965 . 1 1 88 88 PHE CE1 C 13 130.769 0.400 . 1 . . 1 . 88 PHE CE1 . 17508 1 966 . 1 1 88 88 PHE HE1 H 1 6.949 0.020 . 1 . . 1 . 88 PHE HE1 . 17508 1 967 . 1 1 88 88 PHE CZ C 13 128.632 0.400 . 1 . . 1 . 88 PHE CZ . 17508 1 968 . 1 1 88 88 PHE HZ H 1 6.980 0.020 . 1 . . 1 . 88 PHE HZ . 17508 1 969 . 1 1 88 88 PHE CE2 C 13 130.600 0.400 . 1 . . 1 . 88 PHE CE2 . 17508 1 970 . 1 1 88 88 PHE HE2 H 1 6.949 0.020 . 1 . . 1 . 88 PHE HE2 . 17508 1 971 . 1 1 88 88 PHE CD2 C 13 132.047 0.400 . 1 . . 1 . 88 PHE CD2 . 17508 1 972 . 1 1 88 88 PHE HD2 H 1 6.216 0.020 . 1 . . 1 . 88 PHE HD2 . 17508 1 973 . 1 1 89 89 SER CA C 13 58.049 0.400 . 1 . . 1 . 89 SER CA . 17508 1 974 . 1 1 89 89 SER HA H 1 3.800 0.020 . 1 . . 1 . 89 SER HA . 17508 1 975 . 1 1 89 89 SER CB C 13 62.255 0.400 . 1 . . 1 . 89 SER CB . 17508 1 976 . 1 1 89 89 SER HB2 H 1 3.448 0.020 . 2 . . 1 . 89 SER HB2 . 17508 1 977 . 1 1 89 89 SER HB3 H 1 3.997 0.020 . 2 . . 1 . 89 SER HB3 . 17508 1 978 . 1 1 89 89 SER C C 13 174.775 0.400 . 1 . . 1 . 89 SER C . 17508 1 979 . 1 1 90 90 GLY N N 15 103.317 0.400 . 1 . . 1 . 90 GLY N . 17508 1 980 . 1 1 90 90 GLY H H 1 8.434 0.020 . 1 . . 1 . 90 GLY H . 17508 1 981 . 1 1 90 90 GLY CA C 13 44.753 0.400 . 1 . . 1 . 90 GLY CA . 17508 1 982 . 1 1 90 90 GLY HA2 H 1 3.603 0.020 . 2 . . 1 . 90 GLY HA2 . 17508 1 983 . 1 1 90 90 GLY HA3 H 1 4.159 0.020 . 2 . . 1 . 90 GLY HA3 . 17508 1 984 . 1 1 90 90 GLY C C 13 173.112 0.400 . 1 . . 1 . 90 GLY C . 17508 1 985 . 1 1 91 91 ASN N N 15 119.055 0.400 . 1 . . 1 . 91 ASN N . 17508 1 986 . 1 1 91 91 ASN H H 1 7.764 0.020 . 1 . . 1 . 91 ASN H . 17508 1 987 . 1 1 91 91 ASN CA C 13 50.136 0.400 . 1 . . 1 . 91 ASN CA . 17508 1 988 . 1 1 91 91 ASN HA H 1 5.330 0.020 . 1 . . 1 . 91 ASN HA . 17508 1 989 . 1 1 91 91 ASN CB C 13 40.939 0.400 . 1 . . 1 . 91 ASN CB . 17508 1 990 . 1 1 91 91 ASN HB2 H 1 2.910 0.020 . 1 . . 1 . 91 ASN HB2 . 17508 1 991 . 1 1 91 91 ASN HB3 H 1 2.911 0.020 . 1 . . 1 . 91 ASN HB3 . 17508 1 992 . 1 1 91 91 ASN ND2 N 15 114.748 0.400 . 1 . . 1 . 91 ASN ND2 . 17508 1 993 . 1 1 91 91 ASN HD21 H 1 7.359 0.020 . 2 . . 1 . 91 ASN HD21 . 17508 1 994 . 1 1 91 91 ASN HD22 H 1 7.032 0.020 . 2 . . 1 . 91 ASN HD22 . 17508 1 995 . 1 1 92 92 PRO CD C 13 50.500 0.400 . 1 . . 1 . 92 PRO CD . 17508 1 996 . 1 1 92 92 PRO CA C 13 62.398 0.400 . 1 . . 1 . 92 PRO CA . 17508 1 997 . 1 1 92 92 PRO HA H 1 4.655 0.020 . 1 . . 1 . 92 PRO HA . 17508 1 998 . 1 1 92 92 PRO CB C 13 31.458 0.400 . 1 . . 1 . 92 PRO CB . 17508 1 999 . 1 1 92 92 PRO HB2 H 1 1.867 0.020 . 2 . . 1 . 92 PRO HB2 . 17508 1 1000 . 1 1 92 92 PRO HB3 H 1 2.169 0.020 . 2 . . 1 . 92 PRO HB3 . 17508 1 1001 . 1 1 92 92 PRO CG C 13 27.571 0.400 . 1 . . 1 . 92 PRO CG . 17508 1 1002 . 1 1 92 92 PRO HG2 H 1 2.025 0.020 . 2 . . 1 . 92 PRO HG2 . 17508 1 1003 . 1 1 92 92 PRO HG3 H 1 2.173 0.020 . 2 . . 1 . 92 PRO HG3 . 17508 1 1004 . 1 1 92 92 PRO HD2 H 1 3.793 0.020 . 2 . . 1 . 92 PRO HD2 . 17508 1 1005 . 1 1 92 92 PRO HD3 H 1 3.932 0.020 . 2 . . 1 . 92 PRO HD3 . 17508 1 1006 . 1 1 92 92 PRO C C 13 176.834 0.400 . 1 . . 1 . 92 PRO C . 17508 1 1007 . 1 1 93 93 ILE N N 15 117.145 0.400 . 1 . . 1 . 93 ILE N . 17508 1 1008 . 1 1 93 93 ILE H H 1 8.456 0.020 . 1 . . 1 . 93 ILE H . 17508 1 1009 . 1 1 93 93 ILE CA C 13 59.297 0.400 . 1 . . 1 . 93 ILE CA . 17508 1 1010 . 1 1 93 93 ILE HA H 1 5.147 0.020 . 1 . . 1 . 93 ILE HA . 17508 1 1011 . 1 1 93 93 ILE CB C 13 41.617 0.400 . 1 . . 1 . 93 ILE CB . 17508 1 1012 . 1 1 93 93 ILE HB H 1 1.808 0.020 . 1 . . 1 . 93 ILE HB . 17508 1 1013 . 1 1 93 93 ILE CG2 C 13 18.304 0.400 . 1 . . 1 . 93 ILE CG2 . 17508 1 1014 . 1 1 93 93 ILE HG21 H 1 0.721 0.020 . 1 . . 1 . 93 ILE HG21 . 17508 1 1015 . 1 1 93 93 ILE HG22 H 1 0.721 0.020 . 1 . . 1 . 93 ILE HG22 . 17508 1 1016 . 1 1 93 93 ILE HG23 H 1 0.721 0.020 . 1 . . 1 . 93 ILE HG23 . 17508 1 1017 . 1 1 93 93 ILE CG1 C 13 24.522 0.400 . 1 . . 1 . 93 ILE CG1 . 17508 1 1018 . 1 1 93 93 ILE HG12 H 1 1.358 0.020 . 2 . . 1 . 93 ILE HG12 . 17508 1 1019 . 1 1 93 93 ILE HG13 H 1 1.521 0.020 . 2 . . 1 . 93 ILE HG13 . 17508 1 1020 . 1 1 93 93 ILE CD1 C 13 14.799 0.400 . 1 . . 1 . 93 ILE CD1 . 17508 1 1021 . 1 1 93 93 ILE HD11 H 1 0.788 0.020 . 1 . . 1 . 93 ILE HD11 . 17508 1 1022 . 1 1 93 93 ILE HD12 H 1 0.788 0.020 . 1 . . 1 . 93 ILE HD12 . 17508 1 1023 . 1 1 93 93 ILE HD13 H 1 0.788 0.020 . 1 . . 1 . 93 ILE HD13 . 17508 1 1024 . 1 1 93 93 ILE C C 13 175.794 0.400 . 1 . . 1 . 93 ILE C . 17508 1 1025 . 1 1 94 94 LYS N N 15 122.182 0.400 . 1 . . 1 . 94 LYS N . 17508 1 1026 . 1 1 94 94 LYS H H 1 8.354 0.020 . 1 . . 1 . 94 LYS H . 17508 1 1027 . 1 1 94 94 LYS CA C 13 53.898 0.400 . 1 . . 1 . 94 LYS CA . 17508 1 1028 . 1 1 94 94 LYS HA H 1 5.189 0.020 . 1 . . 1 . 94 LYS HA . 17508 1 1029 . 1 1 94 94 LYS CB C 13 34.868 0.400 . 1 . . 1 . 94 LYS CB . 17508 1 1030 . 1 1 94 94 LYS HB2 H 1 1.822 0.020 . 2 . . 1 . 94 LYS HB2 . 17508 1 1031 . 1 1 94 94 LYS HB3 H 1 1.537 0.020 . 2 . . 1 . 94 LYS HB3 . 17508 1 1032 . 1 1 94 94 LYS CG C 13 24.251 0.400 . 1 . . 1 . 94 LYS CG . 17508 1 1033 . 1 1 94 94 LYS HG2 H 1 1.506 0.020 . 2 . . 1 . 94 LYS HG2 . 17508 1 1034 . 1 1 94 94 LYS HG3 H 1 1.441 0.020 . 2 . . 1 . 94 LYS HG3 . 17508 1 1035 . 1 1 94 94 LYS CD C 13 28.608 0.400 . 1 . . 1 . 94 LYS CD . 17508 1 1036 . 1 1 94 94 LYS HD2 H 1 1.677 0.020 . 1 . . 1 . 94 LYS HD2 . 17508 1 1037 . 1 1 94 94 LYS HD3 H 1 1.677 0.020 . 1 . . 1 . 94 LYS HD3 . 17508 1 1038 . 1 1 94 94 LYS CE C 13 41.604 0.400 . 1 . . 1 . 94 LYS CE . 17508 1 1039 . 1 1 94 94 LYS HE2 H 1 2.978 0.020 . 2 . . 1 . 94 LYS HE2 . 17508 1 1040 . 1 1 94 94 LYS HE3 H 1 2.974 0.020 . 2 . . 1 . 94 LYS HE3 . 17508 1 1041 . 1 1 94 94 LYS C C 13 175.898 0.400 . 1 . . 1 . 94 LYS C . 17508 1 1042 . 1 1 95 95 VAL N N 15 125.379 0.400 . 1 . . 1 . 95 VAL N . 17508 1 1043 . 1 1 95 95 VAL H H 1 9.372 0.020 . 1 . . 1 . 95 VAL H . 17508 1 1044 . 1 1 95 95 VAL CA C 13 60.901 0.400 . 1 . . 1 . 95 VAL CA . 17508 1 1045 . 1 1 95 95 VAL HA H 1 4.961 0.020 . 1 . . 1 . 95 VAL HA . 17508 1 1046 . 1 1 95 95 VAL CB C 13 34.666 0.400 . 1 . . 1 . 95 VAL CB . 17508 1 1047 . 1 1 95 95 VAL HB H 1 1.945 0.020 . 1 . . 1 . 95 VAL HB . 17508 1 1048 . 1 1 95 95 VAL CG1 C 13 24.040 0.400 . 1 . . 1 . 95 VAL CG1 . 17508 1 1049 . 1 1 95 95 VAL HG11 H 1 0.980 0.020 . 2 . . 1 . 95 VAL HG11 . 17508 1 1050 . 1 1 95 95 VAL HG12 H 1 0.980 0.020 . 2 . . 1 . 95 VAL HG12 . 17508 1 1051 . 1 1 95 95 VAL HG13 H 1 0.980 0.020 . 2 . . 1 . 95 VAL HG13 . 17508 1 1052 . 1 1 95 95 VAL CG2 C 13 22.236 0.400 . 1 . . 1 . 95 VAL CG2 . 17508 1 1053 . 1 1 95 95 VAL HG21 H 1 1.097 0.020 . 2 . . 1 . 95 VAL HG21 . 17508 1 1054 . 1 1 95 95 VAL HG22 H 1 1.097 0.020 . 2 . . 1 . 95 VAL HG22 . 17508 1 1055 . 1 1 95 95 VAL HG23 H 1 1.097 0.020 . 2 . . 1 . 95 VAL HG23 . 17508 1 1056 . 1 1 95 95 VAL C C 13 173.216 0.400 . 1 . . 1 . 95 VAL C . 17508 1 1057 . 1 1 96 96 SER N N 15 119.542 0.400 . 1 . . 1 . 96 SER N . 17508 1 1058 . 1 1 96 96 SER H H 1 8.928 0.020 . 1 . . 1 . 96 SER H . 17508 1 1059 . 1 1 96 96 SER CA C 13 56.516 0.400 . 1 . . 1 . 96 SER CA . 17508 1 1060 . 1 1 96 96 SER HA H 1 4.696 0.020 . 1 . . 1 . 96 SER HA . 17508 1 1061 . 1 1 96 96 SER CB C 13 66.069 0.400 . 1 . . 1 . 96 SER CB . 17508 1 1062 . 1 1 96 96 SER HB2 H 1 4.107 0.020 . 2 . . 1 . 96 SER HB2 . 17508 1 1063 . 1 1 96 96 SER HB3 H 1 3.966 0.020 . 2 . . 1 . 96 SER HB3 . 17508 1 1064 . 1 1 96 96 SER C C 13 173.819 0.400 . 1 . . 1 . 96 SER C . 17508 1 1065 . 1 1 97 97 PHE N N 15 119.906 0.400 . 1 . . 1 . 97 PHE N . 17508 1 1066 . 1 1 97 97 PHE H H 1 8.888 0.020 . 1 . . 1 . 97 PHE H . 17508 1 1067 . 1 1 97 97 PHE CA C 13 60.473 0.400 . 1 . . 1 . 97 PHE CA . 17508 1 1068 . 1 1 97 97 PHE HA H 1 4.767 0.020 . 1 . . 1 . 97 PHE HA . 17508 1 1069 . 1 1 97 97 PHE CB C 13 39.407 0.400 . 1 . . 1 . 97 PHE CB . 17508 1 1070 . 1 1 97 97 PHE HB2 H 1 3.195 0.020 . 2 . . 1 . 97 PHE HB2 . 17508 1 1071 . 1 1 97 97 PHE HB3 H 1 2.883 0.020 . 2 . . 1 . 97 PHE HB3 . 17508 1 1072 . 1 1 97 97 PHE CD1 C 13 131.480 0.400 . 1 . . 1 . 97 PHE CD1 . 17508 1 1073 . 1 1 97 97 PHE HD1 H 1 7.333 0.020 . 1 . . 1 . 97 PHE HD1 . 17508 1 1074 . 1 1 97 97 PHE CE1 C 13 129.179 0.400 . 1 . . 1 . 97 PHE CE1 . 17508 1 1075 . 1 1 97 97 PHE HE1 H 1 7.167 0.020 . 1 . . 1 . 97 PHE HE1 . 17508 1 1076 . 1 1 97 97 PHE CZ C 13 129.480 0.400 . 1 . . 1 . 97 PHE CZ . 17508 1 1077 . 1 1 97 97 PHE HZ H 1 7.152 0.020 . 1 . . 1 . 97 PHE HZ . 17508 1 1078 . 1 1 97 97 PHE CE2 C 13 129.362 0.400 . 1 . . 1 . 97 PHE CE2 . 17508 1 1079 . 1 1 97 97 PHE HE2 H 1 7.167 0.020 . 1 . . 1 . 97 PHE HE2 . 17508 1 1080 . 1 1 97 97 PHE CD2 C 13 131.605 0.400 . 1 . . 1 . 97 PHE CD2 . 17508 1 1081 . 1 1 97 97 PHE HD2 H 1 7.333 0.020 . 1 . . 1 . 97 PHE HD2 . 17508 1 1082 . 1 1 97 97 PHE C C 13 176.626 0.400 . 1 . . 1 . 97 PHE C . 17508 1 1083 . 1 1 98 98 ALA N N 15 124.604 0.400 . 1 . . 1 . 98 ALA N . 17508 1 1084 . 1 1 98 98 ALA H H 1 8.474 0.020 . 1 . . 1 . 98 ALA H . 17508 1 1085 . 1 1 98 98 ALA CA C 13 51.989 0.400 . 1 . . 1 . 98 ALA CA . 17508 1 1086 . 1 1 98 98 ALA HA H 1 4.372 0.020 . 1 . . 1 . 98 ALA HA . 17508 1 1087 . 1 1 98 98 ALA CB C 13 19.196 0.400 . 1 . . 1 . 98 ALA CB . 17508 1 1088 . 1 1 98 98 ALA HB1 H 1 1.266 0.020 . 1 . . 1 . 98 ALA HB1 . 17508 1 1089 . 1 1 98 98 ALA HB2 H 1 1.266 0.020 . 1 . . 1 . 98 ALA HB2 . 17508 1 1090 . 1 1 98 98 ALA HB3 H 1 1.266 0.020 . 1 . . 1 . 98 ALA HB3 . 17508 1 1091 . 1 1 98 98 ALA C C 13 176.314 0.400 . 1 . . 1 . 98 ALA C . 17508 1 1092 . 1 1 99 99 THR N N 15 119.692 0.400 . 1 . . 1 . 99 THR N . 17508 1 1093 . 1 1 99 99 THR H H 1 7.814 0.020 . 1 . . 1 . 99 THR H . 17508 1 1094 . 1 1 99 99 THR CA C 13 62.483 0.400 . 1 . . 1 . 99 THR CA . 17508 1 1095 . 1 1 99 99 THR HA H 1 4.137 0.020 . 1 . . 1 . 99 THR HA . 17508 1 1096 . 1 1 99 99 THR CB C 13 70.667 0.400 . 1 . . 1 . 99 THR CB . 17508 1 1097 . 1 1 99 99 THR HB H 1 4.203 0.020 . 1 . . 1 . 99 THR HB . 17508 1 1098 . 1 1 99 99 THR CG2 C 13 21.689 0.400 . 1 . . 1 . 99 THR CG2 . 17508 1 1099 . 1 1 99 99 THR HG21 H 1 1.079 0.020 . 1 . . 1 . 99 THR HG21 . 17508 1 1100 . 1 1 99 99 THR HG22 H 1 1.079 0.020 . 1 . . 1 . 99 THR HG22 . 17508 1 1101 . 1 1 99 99 THR HG23 H 1 1.079 0.020 . 1 . . 1 . 99 THR HG23 . 17508 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17508 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.520 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 11 '2D 1H-15N HSQC' . . . 17508 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 12 12 ASP H H 1 . . 1 1 12 12 ASP N N 15 . -3.158 . . . . . . 1 12 ASP H 1 12 ASP N 17508 1 2 DHN . 1 1 13 13 ASN H H 1 . . 1 1 13 13 ASN N N 15 . -2.322 . . . . . . 1 13 ASN H 1 13 ASN N 17508 1 3 DHN . 1 1 14 14 ASN H H 1 . . 1 1 14 14 ASN N N 15 . -5.573 . . . . . . 1 14 ASN H 1 14 ASN N 17508 1 4 DHN . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE N N 15 . -4.734 . . . . . . 1 16 ILE H 1 16 ILE N 17508 1 5 DHN . 1 1 17 17 PHE H H 1 . . 1 1 17 17 PHE N N 15 . -4.101 . . . . . . 1 17 PHE H 1 17 PHE N 17508 1 6 DHN . 1 1 18 18 VAL H H 1 . . 1 1 18 18 VAL N N 15 . -4.966 . . . . . . 1 18 VAL H 1 18 VAL N 17508 1 7 DHN . 1 1 19 19 GLN H H 1 . . 1 1 19 19 GLN N N 15 . -7.120 . . . . . . 1 19 GLN H 1 19 GLN N 17508 1 8 DHN . 1 1 20 20 GLY H H 1 . . 1 1 20 20 GLY N N 15 . -16.496 . . . . . . 1 20 GLY H 1 20 GLY N 17508 1 9 DHN . 1 1 22 22 GLY H H 1 . . 1 1 22 22 GLY N N 15 . -9.047 . . . . . . 1 22 GLY H 1 22 GLY N 17508 1 10 DHN . 1 1 23 23 GLU H H 1 . . 1 1 23 23 GLU N N 15 . 12.405 . . . . . . 1 23 GLU H 1 23 GLU N 17508 1 11 DHN . 1 1 24 24 ASN H H 1 . . 1 1 24 24 ASN N N 15 . -5.019 . . . . . . 1 24 ASN H 1 24 ASN N 17508 1 12 DHN . 1 1 25 25 VAL H H 1 . . 1 1 25 25 VAL N N 15 . -9.681 . . . . . . 1 25 VAL H 1 25 VAL N 17508 1 13 DHN . 1 1 26 26 THR H H 1 . . 1 1 26 26 THR N N 15 . -14.515 . . . . . . 1 26 THR H 1 26 THR N 17508 1 14 DHN . 1 1 27 27 ILE H H 1 . . 1 1 27 27 ILE N N 15 . -8.219 . . . . . . 1 27 ILE H 1 27 ILE N 17508 1 15 DHN . 1 1 28 28 GLU H H 1 . . 1 1 28 28 GLU N N 15 . 1.131 . . . . . . 1 28 GLU H 1 28 GLU N 17508 1 16 DHN . 1 1 30 30 VAL H H 1 . . 1 1 30 30 VAL N N 15 . -10.872 . . . . . . 1 30 VAL H 1 30 VAL N 17508 1 17 DHN . 1 1 31 31 ALA H H 1 . . 1 1 31 31 ALA N N 15 . -3.552 . . . . . . 1 31 ALA H 1 31 ALA N 17508 1 18 DHN . 1 1 32 32 ASP H H 1 . . 1 1 32 32 ASP N N 15 . 3.012 . . . . . . 1 32 ASP H 1 32 ASP N 17508 1 19 DHN . 1 1 33 33 TYR H H 1 . . 1 1 33 33 TYR N N 15 . -12.320 . . . . . . 1 33 TYR H 1 33 TYR N 17508 1 20 DHN . 1 1 34 34 PHE H H 1 . . 1 1 34 34 PHE N N 15 . -9.568 . . . . . . 1 34 PHE H 1 34 PHE N 17508 1 21 DHN . 1 1 35 35 LYS H H 1 . . 1 1 35 35 LYS N N 15 . 9.187 . . . . . . 1 35 LYS H 1 35 LYS N 17508 1 22 DHN . 1 1 36 36 GLN H H 1 . . 1 1 36 36 GLN N N 15 . 12.666 . . . . . . 1 36 GLN H 1 36 GLN N 17508 1 23 DHN . 1 1 37 37 ILE H H 1 . . 1 1 37 37 ILE N N 15 . -6.446 . . . . . . 1 37 ILE H 1 37 ILE N 17508 1 24 DHN . 1 1 38 38 GLY H H 1 . . 1 1 38 38 GLY N N 15 . 9.986 . . . . . . 1 38 GLY H 1 38 GLY N 17508 1 25 DHN . 1 1 39 39 ILE H H 1 . . 1 1 39 39 ILE N N 15 . 11.457 . . . . . . 1 39 ILE H 1 39 ILE N 17508 1 26 DHN . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE N N 15 . -4.461 . . . . . . 1 40 ILE H 1 40 ILE N 17508 1 27 DHN . 1 1 41 41 LYS H H 1 . . 1 1 41 41 LYS N N 15 . -1.378 . . . . . . 1 41 LYS H 1 41 LYS N 17508 1 28 DHN . 1 1 43 43 ASN H H 1 . . 1 1 43 43 ASN N N 15 . 13.941 . . . . . . 1 43 ASN H 1 43 ASN N 17508 1 29 DHN . 1 1 45 45 LYS H H 1 . . 1 1 45 45 LYS N N 15 . -2.915 . . . . . . 1 45 LYS H 1 45 LYS N 17508 1 30 DHN . 1 1 46 46 THR H H 1 . . 1 1 46 46 THR N N 15 . -3.977 . . . . . . 1 46 THR H 1 46 THR N 17508 1 31 DHN . 1 1 47 47 GLY H H 1 . . 1 1 47 47 GLY N N 15 . 5.808 . . . . . . 1 47 GLY H 1 47 GLY N 17508 1 32 DHN . 1 1 48 48 GLN H H 1 . . 1 1 48 48 GLN N N 15 . -12.096 . . . . . . 1 48 GLN H 1 48 GLN N 17508 1 33 DHN . 1 1 50 50 MET H H 1 . . 1 1 50 50 MET N N 15 . 2.547 . . . . . . 1 50 MET H 1 50 MET N 17508 1 34 DHN . 1 1 51 51 ILE H H 1 . . 1 1 51 51 ILE N N 15 . -3.386 . . . . . . 1 51 ILE H 1 51 ILE N 17508 1 35 DHN . 1 1 52 52 ASN H H 1 . . 1 1 52 52 ASN N N 15 . -3.170 . . . . . . 1 52 ASN H 1 52 ASN N 17508 1 36 DHN . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU N N 15 . -3.590 . . . . . . 1 53 LEU H 1 53 LEU N 17508 1 37 DHN . 1 1 56 56 ASP H H 1 . . 1 1 56 56 ASP N N 15 . -2.020 . . . . . . 1 56 ASP H 1 56 ASP N 17508 1 38 DHN . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU N N 15 . -6.200 . . . . . . 1 58 GLU H 1 58 GLU N 17508 1 39 DHN . 1 1 59 59 THR H H 1 . . 1 1 59 59 THR N N 15 . 2.470 . . . . . . 1 59 THR H 1 59 THR N 17508 1 40 DHN . 1 1 60 60 GLY H H 1 . . 1 1 60 60 GLY N N 15 . 0.957 . . . . . . 1 60 GLY H 1 60 GLY N 17508 1 41 DHN . 1 1 61 61 LYS H H 1 . . 1 1 61 61 LYS N N 15 . -2.863 . . . . . . 1 61 LYS H 1 61 LYS N 17508 1 42 DHN . 1 1 62 62 LEU H H 1 . . 1 1 62 62 LEU N N 15 . -0.119 . . . . . . 1 62 LEU H 1 62 LEU N 17508 1 43 DHN . 1 1 64 64 GLY H H 1 . . 1 1 64 64 GLY N N 15 . -1.762 . . . . . . 1 64 GLY H 1 64 GLY N 17508 1 44 DHN . 1 1 67 67 THR H H 1 . . 1 1 67 67 THR N N 15 . -3.888 . . . . . . 1 67 THR H 1 67 THR N 17508 1 45 DHN . 1 1 68 68 VAL H H 1 . . 1 1 68 68 VAL N N 15 . -3.050 . . . . . . 1 68 VAL H 1 68 VAL N 17508 1 46 DHN . 1 1 70 70 PHE H H 1 . . 1 1 70 70 PHE N N 15 . -5.342 . . . . . . 1 70 PHE H 1 70 PHE N 17508 1 47 DHN . 1 1 71 71 ASP H H 1 . . 1 1 71 71 ASP N N 15 . -4.261 . . . . . . 1 71 ASP H 1 71 ASP N 17508 1 48 DHN . 1 1 72 72 ASP H H 1 . . 1 1 72 72 ASP N N 15 . 10.777 . . . . . . 1 72 ASP H 1 72 ASP N 17508 1 49 DHN . 1 1 75 75 SER H H 1 . . 1 1 75 75 SER N N 15 . 5.722 . . . . . . 1 75 SER H 1 75 SER N 17508 1 50 DHN . 1 1 76 76 ALA H H 1 . . 1 1 76 76 ALA N N 15 . 19.110 . . . . . . 1 76 ALA H 1 76 ALA N 17508 1 51 DHN . 1 1 77 77 LYS H H 1 . . 1 1 77 77 LYS N N 15 . 15.905 . . . . . . 1 77 LYS H 1 77 LYS N 17508 1 52 DHN . 1 1 78 78 ALA H H 1 . . 1 1 78 78 ALA N N 15 . 13.490 . . . . . . 1 78 ALA H 1 78 ALA N 17508 1 53 DHN . 1 1 79 79 ALA H H 1 . . 1 1 79 79 ALA N N 15 . 8.900 . . . . . . 1 79 ALA H 1 79 ALA N 17508 1 54 DHN . 1 1 80 80 ILE H H 1 . . 1 1 80 80 ILE N N 15 . 19.766 . . . . . . 1 80 ILE H 1 80 ILE N 17508 1 55 DHN . 1 1 82 82 TRP H H 1 . . 1 1 82 82 TRP N N 15 . 4.105 . . . . . . 1 82 TRP H 1 82 TRP N 17508 1 56 DHN . 1 1 83 83 PHE H H 1 . . 1 1 83 83 PHE N N 15 . 11.475 . . . . . . 1 83 PHE H 1 83 PHE N 17508 1 57 DHN . 1 1 84 84 ASP H H 1 . . 1 1 84 84 ASP N N 15 . 19.295 . . . . . . 1 84 ASP H 1 84 ASP N 17508 1 58 DHN . 1 1 85 85 GLY H H 1 . . 1 1 85 85 GLY N N 15 . -15.636 . . . . . . 1 85 GLY H 1 85 GLY N 17508 1 59 DHN . 1 1 86 86 LYS H H 1 . . 1 1 86 86 LYS N N 15 . 9.239 . . . . . . 1 86 LYS H 1 86 LYS N 17508 1 60 DHN . 1 1 88 88 PHE H H 1 . . 1 1 88 88 PHE N N 15 . -4.576 . . . . . . 1 88 PHE H 1 88 PHE N 17508 1 61 DHN . 1 1 90 90 GLY H H 1 . . 1 1 90 90 GLY N N 15 . -1.073 . . . . . . 1 90 GLY H 1 90 GLY N 17508 1 62 DHN . 1 1 91 91 ASN H H 1 . . 1 1 91 91 ASN N N 15 . 8.680 . . . . . . 1 91 ASN H 1 91 ASN N 17508 1 63 DHN . 1 1 93 93 ILE H H 1 . . 1 1 93 93 ILE N N 15 . -11.792 . . . . . . 1 93 ILE H 1 93 ILE N 17508 1 64 DHN . 1 1 94 94 LYS H H 1 . . 1 1 94 94 LYS N N 15 . -8.405 . . . . . . 1 94 LYS H 1 94 LYS N 17508 1 65 DHN . 1 1 95 95 VAL H H 1 . . 1 1 95 95 VAL N N 15 . -7.597 . . . . . . 1 95 VAL H 1 95 VAL N 17508 1 66 DHN . 1 1 96 96 SER H H 1 . . 1 1 96 96 SER N N 15 . -4.837 . . . . . . 1 96 SER H 1 96 SER N 17508 1 67 DHN . 1 1 97 97 PHE H H 1 . . 1 1 97 97 PHE N N 15 . -3.559 . . . . . . 1 97 PHE H 1 97 PHE N 17508 1 68 DHN . 1 1 98 98 ALA H H 1 . . 1 1 98 98 ALA N N 15 . -1.686 . . . . . . 1 98 ALA H 1 98 ALA N 17508 1 69 DHN . 1 1 99 99 THR H H 1 . . 1 1 99 99 THR N N 15 . 14.601 . . . . . . 1 99 THR H 1 99 THR N 17508 1 stop_ save_