data_18429 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18429 _Entry.Title ; Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-28 _Entry.Accession_date 2012-04-28 _Entry.Last_release_date 2012-08-30 _Entry.Original_release_date 2012-08-30 _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 Bharathwaj Sathyamoorthy . . . 18429 2 'Surya VSRK' Pulavarti . . . 18429 3 Grant Murphy . . . 18429 4 Jeffrey Mills . L. . 18429 5 Alexander Eletski . . . 18429 6 Bryan Der . S. . 18429 7 Mischa Machius . C. . 18429 8 Brian Kuhlman . . . 18429 9 Gaetano Montelione . T. . 18429 10 Thomas Szyperski . . . 18429 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:Biology 'Northeast Structural Genomics Consortium' . 18429 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18429 'Protein NMR' . 18429 'Protein Structure Initiative' . 18429 PSI-Biology . 18429 'Structural Genomics' . 18429 'Target OR188' . 18429 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18429 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 18429 '15N chemical shifts' 95 18429 '1H chemical shifts' 717 18429 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 . . 2012-08-30 2012-04-28 original author . 18429 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18438 HR7057A 18429 PDB 2LSE 'BMRB Entry Tracking System' 18429 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18429 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188' _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 Grant Murphy . . . 18429 1 2 Bharathwaj Sathyamoorthy . . . 18429 1 3 Bryan Der . S. . 18429 1 4 Mischa Machius . C. . 18429 1 5 'Surya VSRK' Pulavarti . . . 18429 1 6 Gaetano Montelione . T. . 18429 1 7 Thomas Szyperski . . . 18429 1 8 Brian Kuhlman . . . 18429 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18429 _Assembly.ID 1 _Assembly.Name OR188 _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 OR188 1 $OR188 A . yes native no no . . . 18429 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR188 _Entity.Sf_category entity _Entity.Sf_framecode OR188 _Entity.Entry_ID 18429 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR188 _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 ; MQEERKKLLEKLEKILDEVT DGAPDEARERIEKLAKDVKD ELEEGDAKNMIEKFRDEMEQ MYKDAPNAVMEQLLEEIEKL LKKAGSLVPRGSYLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11927.662 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2LSE . "Solution Nmr Structure Of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (Nesg) Target Or" . . . . . 100.00 101 100.00 100.00 9.87e-63 . . . . 18429 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 . 18429 1 2 . GLN . 18429 1 3 . GLU . 18429 1 4 . GLU . 18429 1 5 . ARG . 18429 1 6 . LYS . 18429 1 7 . LYS . 18429 1 8 . LEU . 18429 1 9 . LEU . 18429 1 10 . GLU . 18429 1 11 . LYS . 18429 1 12 . LEU . 18429 1 13 . GLU . 18429 1 14 . LYS . 18429 1 15 . ILE . 18429 1 16 . LEU . 18429 1 17 . ASP . 18429 1 18 . GLU . 18429 1 19 . VAL . 18429 1 20 . THR . 18429 1 21 . ASP . 18429 1 22 . GLY . 18429 1 23 . ALA . 18429 1 24 . PRO . 18429 1 25 . ASP . 18429 1 26 . GLU . 18429 1 27 . ALA . 18429 1 28 . ARG . 18429 1 29 . GLU . 18429 1 30 . ARG . 18429 1 31 . ILE . 18429 1 32 . GLU . 18429 1 33 . LYS . 18429 1 34 . LEU . 18429 1 35 . ALA . 18429 1 36 . LYS . 18429 1 37 . ASP . 18429 1 38 . VAL . 18429 1 39 . LYS . 18429 1 40 . ASP . 18429 1 41 . GLU . 18429 1 42 . LEU . 18429 1 43 . GLU . 18429 1 44 . GLU . 18429 1 45 . GLY . 18429 1 46 . ASP . 18429 1 47 . ALA . 18429 1 48 . LYS . 18429 1 49 . ASN . 18429 1 50 . MET . 18429 1 51 . ILE . 18429 1 52 . GLU . 18429 1 53 . LYS . 18429 1 54 . PHE . 18429 1 55 . ARG . 18429 1 56 . ASP . 18429 1 57 . GLU . 18429 1 58 . MET . 18429 1 59 . GLU . 18429 1 60 . GLN . 18429 1 61 . MET . 18429 1 62 . TYR . 18429 1 63 . LYS . 18429 1 64 . ASP . 18429 1 65 . ALA . 18429 1 66 . PRO . 18429 1 67 . ASN . 18429 1 68 . ALA . 18429 1 69 . VAL . 18429 1 70 . MET . 18429 1 71 . GLU . 18429 1 72 . GLN . 18429 1 73 . LEU . 18429 1 74 . LEU . 18429 1 75 . GLU . 18429 1 76 . GLU . 18429 1 77 . ILE . 18429 1 78 . GLU . 18429 1 79 . LYS . 18429 1 80 . LEU . 18429 1 81 . LEU . 18429 1 82 . LYS . 18429 1 83 . LYS . 18429 1 84 . ALA . 18429 1 85 . GLY . 18429 1 86 . SER . 18429 1 87 . LEU . 18429 1 88 . VAL . 18429 1 89 . PRO . 18429 1 90 . ARG . 18429 1 91 . GLY . 18429 1 92 . SER . 18429 1 93 . TYR . 18429 1 94 . LEU . 18429 1 95 . GLU . 18429 1 96 . HIS . 18429 1 97 . HIS . 18429 1 98 . HIS . 18429 1 99 . HIS . 18429 1 100 . HIS . 18429 1 101 . HIS . 18429 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 18429 1 . GLN 2 2 18429 1 . GLU 3 3 18429 1 . GLU 4 4 18429 1 . ARG 5 5 18429 1 . LYS 6 6 18429 1 . LYS 7 7 18429 1 . LEU 8 8 18429 1 . LEU 9 9 18429 1 . GLU 10 10 18429 1 . LYS 11 11 18429 1 . LEU 12 12 18429 1 . GLU 13 13 18429 1 . LYS 14 14 18429 1 . ILE 15 15 18429 1 . LEU 16 16 18429 1 . ASP 17 17 18429 1 . GLU 18 18 18429 1 . VAL 19 19 18429 1 . THR 20 20 18429 1 . ASP 21 21 18429 1 . GLY 22 22 18429 1 . ALA 23 23 18429 1 . PRO 24 24 18429 1 . ASP 25 25 18429 1 . GLU 26 26 18429 1 . ALA 27 27 18429 1 . ARG 28 28 18429 1 . GLU 29 29 18429 1 . ARG 30 30 18429 1 . ILE 31 31 18429 1 . GLU 32 32 18429 1 . LYS 33 33 18429 1 . LEU 34 34 18429 1 . ALA 35 35 18429 1 . LYS 36 36 18429 1 . ASP 37 37 18429 1 . VAL 38 38 18429 1 . LYS 39 39 18429 1 . ASP 40 40 18429 1 . GLU 41 41 18429 1 . LEU 42 42 18429 1 . GLU 43 43 18429 1 . GLU 44 44 18429 1 . GLY 45 45 18429 1 . ASP 46 46 18429 1 . ALA 47 47 18429 1 . LYS 48 48 18429 1 . ASN 49 49 18429 1 . MET 50 50 18429 1 . ILE 51 51 18429 1 . GLU 52 52 18429 1 . LYS 53 53 18429 1 . PHE 54 54 18429 1 . ARG 55 55 18429 1 . ASP 56 56 18429 1 . GLU 57 57 18429 1 . MET 58 58 18429 1 . GLU 59 59 18429 1 . GLN 60 60 18429 1 . MET 61 61 18429 1 . TYR 62 62 18429 1 . LYS 63 63 18429 1 . ASP 64 64 18429 1 . ALA 65 65 18429 1 . PRO 66 66 18429 1 . ASN 67 67 18429 1 . ALA 68 68 18429 1 . VAL 69 69 18429 1 . MET 70 70 18429 1 . GLU 71 71 18429 1 . GLN 72 72 18429 1 . LEU 73 73 18429 1 . LEU 74 74 18429 1 . GLU 75 75 18429 1 . GLU 76 76 18429 1 . ILE 77 77 18429 1 . GLU 78 78 18429 1 . LYS 79 79 18429 1 . LEU 80 80 18429 1 . LEU 81 81 18429 1 . LYS 82 82 18429 1 . LYS 83 83 18429 1 . ALA 84 84 18429 1 . GLY 85 85 18429 1 . SER 86 86 18429 1 . LEU 87 87 18429 1 . VAL 88 88 18429 1 . PRO 89 89 18429 1 . ARG 90 90 18429 1 . GLY 91 91 18429 1 . SER 92 92 18429 1 . TYR 93 93 18429 1 . LEU 94 94 18429 1 . GLU 95 95 18429 1 . HIS 96 96 18429 1 . HIS 97 97 18429 1 . HIS 98 98 18429 1 . HIS 99 99 18429 1 . HIS 100 100 18429 1 . HIS 101 101 18429 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 18429 _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 $OR188 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 'Denovo design protein - foux helix bundle' . . 18429 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 18429 _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 $OR188 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . PET21B . . . . . . 18429 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 18429 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '23.8 mg/mL OR188.001, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR188.001 '[U-100% 13C; U-100% 15N]' . . 1 $OR188 . . 23.8 . . mg/mL . . . . 18429 1 2 phosphate 'natural abundance' . . . . . . 100 . . mM . . . . 18429 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18429 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18429 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18429 1 stop_ save_ save_NC10 _Sample.Sf_category sample _Sample.Sf_framecode NC10 _Sample.Entry_ID 18429 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.3 mg/mL OR188.001, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR188.001 '[U-10% 13C; U-100% 15N]' . . 1 $OR188 . . 1.3 . . mg/mL . . . . 18429 2 2 phosphate 'natural abundance' . . . . . . 100 . . mM . . . . 18429 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18429 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18429 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18429 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 18429 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 18429 1 pressure 1 . atm 18429 1 temperature 298 . K 18429 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18429 _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' . . 18429 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18429 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18429 _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' . . 18429 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18429 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18429 _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' . . 18429 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18429 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18429 _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' . . 18429 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18429 4 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 18429 _Software.ID 5 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 18429 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18429 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18429 _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.' . . 18429 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18429 6 processing 18429 6 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18429 _Software.ID 7 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18429 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18429 7 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18429 _Software.ID 8 _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' . . 18429 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18429 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18429 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18429 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18429 9 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18429 _Software.ID 10 _Software.Name CARA _Software.Version 1,8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18429 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18429 10 'chemical shift calculation' 18429 10 'data analysis' 18429 10 'peak picking' 18429 10 refinement 18429 10 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 18429 _Software.ID 11 _Software.Name CSI _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David Wishart, Brian Sykes' . . 18429 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18429 11 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18429 _Software.ID 12 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18429 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18429 12 visualization 18429 12 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 18429 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '750MHz Inova Cold Probe at Statler, UB' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18429 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '600MHz Inova Cold Probe at Statler, UB' _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 18429 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 '750MHz Inova Cold Probe at Statler, UB' . . 18429 1 2 spectrometer_2 Varian INOVA . 600 '600MHz Inova Cold Probe at Statler, UB' . . 18429 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 18429 _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 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 2 '3D HN(CA)CO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 3 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 4 '(4,3)D GFT CABCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18429 1 5 '(4,3)D GFT HNCACAB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18429 1 6 '(4,3)D GFT HABCAB(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18429 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 8 '2D 1H-13C HSQC aliphatic CT' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 9 '2D 1H-13C HSQC aromatic CT' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 10 '(4,3)D GFT HCCH-COSY aliphatic SP1/SP2/CP' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 11 '3D HCCH TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 14 '(4,3)D GFT HCCH-COSY aromatic SP1/SP2/CP' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 15 '2D 1H-13C HSQC aliphatic 28ms CT' no . . . . . . . . . . 2 $NC10 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 16 '2D 1H-13C HSQC aliphatic 42ms CT' no . . . . . . . . . . 2 $NC10 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 1 17 '2D 1H-13C HSQC aliphatic 56ms CT' no . . . . . . . . . . 2 $NC10 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18429 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 18429 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'External DSS standard' 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 external indirect 0.251449530 'separate tube (no insert) not similar to the experimental sample tube' . . . . . . . . 18429 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000 'separate tube (no insert) not similar to the experimental sample tube' . . . . . . . . 18429 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) not similar to the experimental sample tube' . . . . . . . . 18429 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 18429 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18429 1 2 '3D HN(CA)CO' . . . 18429 1 3 '3D HNCO' . . . 18429 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18429 1 8 '2D 1H-13C HSQC aliphatic CT' . . . 18429 1 9 '2D 1H-13C HSQC aromatic CT' . . . 18429 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.953 0.030 . 1 . . . A 1 MET HA . 18429 1 2 . 1 1 1 1 MET HB2 H 1 2.097 0.030 . 2 . . . A 1 MET HB2 . 18429 1 3 . 1 1 1 1 MET HB3 H 1 2.066 0.030 . 2 . . . A 1 MET HB3 . 18429 1 4 . 1 1 1 1 MET HG2 H 1 2.617 0.030 . 2 . . . A 1 MET HG2 . 18429 1 5 . 1 1 1 1 MET HG3 H 1 2.573 0.030 . 2 . . . A 1 MET HG3 . 18429 1 6 . 1 1 1 1 MET HE1 H 1 2.087 0.030 . 1 . . . A 1 MET HE1 . 18429 1 7 . 1 1 1 1 MET HE2 H 1 2.087 0.030 . 1 . . . A 1 MET HE2 . 18429 1 8 . 1 1 1 1 MET HE3 H 1 2.087 0.030 . 1 . . . A 1 MET HE3 . 18429 1 9 . 1 1 1 1 MET CA C 13 55.365 0.400 . 1 . . . A 1 MET CA . 18429 1 10 . 1 1 1 1 MET CB C 13 34.499 0.400 . 1 . . . A 1 MET CB . 18429 1 11 . 1 1 1 1 MET CG C 13 31.080 0.400 . 1 . . . A 1 MET CG . 18429 1 12 . 1 1 1 1 MET CE C 13 16.808 0.400 . 1 . . . A 1 MET CE . 18429 1 13 . 1 1 2 2 GLN HA H 1 4.316 0.030 . 1 . . . A 2 GLN HA . 18429 1 14 . 1 1 2 2 GLN HB2 H 1 2.230 0.030 . 2 . . . A 2 GLN HB2 . 18429 1 15 . 1 1 2 2 GLN HB3 H 1 2.057 0.030 . 2 . . . A 2 GLN HB3 . 18429 1 16 . 1 1 2 2 GLN HG2 H 1 2.500 0.030 . 1 . . . A 2 GLN HG2 . 18429 1 17 . 1 1 2 2 GLN HG3 H 1 2.500 0.030 . 1 . . . A 2 GLN HG3 . 18429 1 18 . 1 1 2 2 GLN HE21 H 1 6.979 0.030 . 2 . . . A 2 GLN HE21 . 18429 1 19 . 1 1 2 2 GLN HE22 H 1 7.683 0.030 . 2 . . . A 2 GLN HE22 . 18429 1 20 . 1 1 2 2 GLN C C 13 177.028 0.400 . 1 . . . A 2 GLN C . 18429 1 21 . 1 1 2 2 GLN CA C 13 56.800 0.400 . 1 . . . A 2 GLN CA . 18429 1 22 . 1 1 2 2 GLN CB C 13 28.884 0.400 . 1 . . . A 2 GLN CB . 18429 1 23 . 1 1 2 2 GLN CG C 13 33.733 0.400 . 1 . . . A 2 GLN CG . 18429 1 24 . 1 1 2 2 GLN NE2 N 15 112.466 0.400 . 1 . . . A 2 GLN NE2 . 18429 1 25 . 1 1 3 3 GLU H H 1 8.995 0.030 . 1 . . . A 3 GLU H . 18429 1 26 . 1 1 3 3 GLU HA H 1 4.077 0.030 . 1 . . . A 3 GLU HA . 18429 1 27 . 1 1 3 3 GLU HB2 H 1 2.064 0.030 . 1 . . . A 3 GLU HB2 . 18429 1 28 . 1 1 3 3 GLU HB3 H 1 2.064 0.030 . 1 . . . A 3 GLU HB3 . 18429 1 29 . 1 1 3 3 GLU HG2 H 1 2.317 0.030 . 1 . . . A 3 GLU HG2 . 18429 1 30 . 1 1 3 3 GLU HG3 H 1 2.317 0.030 . 1 . . . A 3 GLU HG3 . 18429 1 31 . 1 1 3 3 GLU C C 13 177.945 0.400 . 1 . . . A 3 GLU C . 18429 1 32 . 1 1 3 3 GLU CA C 13 59.110 0.400 . 1 . . . A 3 GLU CA . 18429 1 33 . 1 1 3 3 GLU CB C 13 29.343 0.400 . 1 . . . A 3 GLU CB . 18429 1 34 . 1 1 3 3 GLU CG C 13 36.281 0.400 . 1 . . . A 3 GLU CG . 18429 1 35 . 1 1 3 3 GLU N N 15 123.654 0.400 . 1 . . . A 3 GLU N . 18429 1 36 . 1 1 4 4 GLU H H 1 8.837 0.030 . 1 . . . A 4 GLU H . 18429 1 37 . 1 1 4 4 GLU HA H 1 4.069 0.030 . 1 . . . A 4 GLU HA . 18429 1 38 . 1 1 4 4 GLU HB2 H 1 2.050 0.030 . 1 . . . A 4 GLU HB2 . 18429 1 39 . 1 1 4 4 GLU HB3 H 1 2.050 0.030 . 1 . . . A 4 GLU HB3 . 18429 1 40 . 1 1 4 4 GLU HG2 H 1 2.342 0.030 . 1 . . . A 4 GLU HG2 . 18429 1 41 . 1 1 4 4 GLU HG3 H 1 2.342 0.030 . 1 . . . A 4 GLU HG3 . 18429 1 42 . 1 1 4 4 GLU C C 13 178.815 0.400 . 1 . . . A 4 GLU C . 18429 1 43 . 1 1 4 4 GLU CA C 13 59.152 0.400 . 1 . . . A 4 GLU CA . 18429 1 44 . 1 1 4 4 GLU CB C 13 29.218 0.400 . 1 . . . A 4 GLU CB . 18429 1 45 . 1 1 4 4 GLU CG C 13 36.390 0.400 . 1 . . . A 4 GLU CG . 18429 1 46 . 1 1 4 4 GLU N N 15 119.237 0.400 . 1 . . . A 4 GLU N . 18429 1 47 . 1 1 5 5 ARG H H 1 7.884 0.030 . 1 . . . A 5 ARG H . 18429 1 48 . 1 1 5 5 ARG HA H 1 3.951 0.030 . 1 . . . A 5 ARG HA . 18429 1 49 . 1 1 5 5 ARG HB2 H 1 1.921 0.030 . 1 . . . A 5 ARG HB2 . 18429 1 50 . 1 1 5 5 ARG HB3 H 1 1.921 0.030 . 1 . . . A 5 ARG HB3 . 18429 1 51 . 1 1 5 5 ARG HG2 H 1 1.640 0.030 . 1 . . . A 5 ARG HG2 . 18429 1 52 . 1 1 5 5 ARG HG3 H 1 1.640 0.030 . 1 . . . A 5 ARG HG3 . 18429 1 53 . 1 1 5 5 ARG HD2 H 1 3.245 0.030 . 2 . . . A 5 ARG HD2 . 18429 1 54 . 1 1 5 5 ARG HD3 H 1 3.339 0.030 . 2 . . . A 5 ARG HD3 . 18429 1 55 . 1 1 5 5 ARG C C 13 177.324 0.400 . 1 . . . A 5 ARG C . 18429 1 56 . 1 1 5 5 ARG CA C 13 59.241 0.400 . 1 . . . A 5 ARG CA . 18429 1 57 . 1 1 5 5 ARG CB C 13 29.981 0.400 . 1 . . . A 5 ARG CB . 18429 1 58 . 1 1 5 5 ARG CG C 13 28.334 0.400 . 1 . . . A 5 ARG CG . 18429 1 59 . 1 1 5 5 ARG CD C 13 43.222 0.400 . 1 . . . A 5 ARG CD . 18429 1 60 . 1 1 5 5 ARG N N 15 120.052 0.400 . 1 . . . A 5 ARG N . 18429 1 61 . 1 1 6 6 LYS H H 1 7.998 0.030 . 1 . . . A 6 LYS H . 18429 1 62 . 1 1 6 6 LYS HA H 1 3.980 0.030 . 1 . . . A 6 LYS HA . 18429 1 63 . 1 1 6 6 LYS HB2 H 1 1.924 0.030 . 1 . . . A 6 LYS HB2 . 18429 1 64 . 1 1 6 6 LYS HB3 H 1 1.924 0.030 . 1 . . . A 6 LYS HB3 . 18429 1 65 . 1 1 6 6 LYS HG2 H 1 1.490 0.030 . 2 . . . A 6 LYS HG2 . 18429 1 66 . 1 1 6 6 LYS HG3 H 1 1.403 0.030 . 2 . . . A 6 LYS HG3 . 18429 1 67 . 1 1 6 6 LYS HD2 H 1 1.681 0.030 . 1 . . . A 6 LYS HD2 . 18429 1 68 . 1 1 6 6 LYS HD3 H 1 1.681 0.030 . 1 . . . A 6 LYS HD3 . 18429 1 69 . 1 1 6 6 LYS HE2 H 1 2.968 0.030 . 1 . . . A 6 LYS HE2 . 18429 1 70 . 1 1 6 6 LYS HE3 H 1 2.968 0.030 . 1 . . . A 6 LYS HE3 . 18429 1 71 . 1 1 6 6 LYS C C 13 178.939 0.400 . 1 . . . A 6 LYS C . 18429 1 72 . 1 1 6 6 LYS CA C 13 59.332 0.400 . 1 . . . A 6 LYS CA . 18429 1 73 . 1 1 6 6 LYS CB C 13 32.154 0.400 . 1 . . . A 6 LYS CB . 18429 1 74 . 1 1 6 6 LYS CG C 13 24.857 0.400 . 1 . . . A 6 LYS CG . 18429 1 75 . 1 1 6 6 LYS CD C 13 29.048 0.400 . 1 . . . A 6 LYS CD . 18429 1 76 . 1 1 6 6 LYS CE C 13 42.005 0.400 . 1 . . . A 6 LYS CE . 18429 1 77 . 1 1 6 6 LYS N N 15 119.327 0.400 . 1 . . . A 6 LYS N . 18429 1 78 . 1 1 7 7 LYS H H 1 7.917 0.030 . 1 . . . A 7 LYS H . 18429 1 79 . 1 1 7 7 LYS HA H 1 4.096 0.030 . 1 . . . A 7 LYS HA . 18429 1 80 . 1 1 7 7 LYS HB2 H 1 1.862 0.030 . 2 . . . A 7 LYS HB2 . 18429 1 81 . 1 1 7 7 LYS HB3 H 1 1.857 0.030 . 2 . . . A 7 LYS HB3 . 18429 1 82 . 1 1 7 7 LYS HG2 H 1 1.593 0.030 . 2 . . . A 7 LYS HG2 . 18429 1 83 . 1 1 7 7 LYS HG3 H 1 1.477 0.030 . 2 . . . A 7 LYS HG3 . 18429 1 84 . 1 1 7 7 LYS HD2 H 1 1.687 0.030 . 1 . . . A 7 LYS HD2 . 18429 1 85 . 1 1 7 7 LYS HD3 H 1 1.687 0.030 . 1 . . . A 7 LYS HD3 . 18429 1 86 . 1 1 7 7 LYS HE2 H 1 2.951 0.030 . 1 . . . A 7 LYS HE2 . 18429 1 87 . 1 1 7 7 LYS HE3 H 1 2.951 0.030 . 1 . . . A 7 LYS HE3 . 18429 1 88 . 1 1 7 7 LYS C C 13 179.332 0.400 . 1 . . . A 7 LYS C . 18429 1 89 . 1 1 7 7 LYS CA C 13 58.767 0.400 . 1 . . . A 7 LYS CA . 18429 1 90 . 1 1 7 7 LYS CB C 13 32.297 0.400 . 1 . . . A 7 LYS CB . 18429 1 91 . 1 1 7 7 LYS CG C 13 25.040 0.400 . 1 . . . A 7 LYS CG . 18429 1 92 . 1 1 7 7 LYS CD C 13 29.029 0.400 . 1 . . . A 7 LYS CD . 18429 1 93 . 1 1 7 7 LYS CE C 13 42.017 0.400 . 1 . . . A 7 LYS CE . 18429 1 94 . 1 1 7 7 LYS N N 15 117.908 0.400 . 1 . . . A 7 LYS N . 18429 1 95 . 1 1 8 8 LEU H H 1 7.686 0.030 . 1 . . . A 8 LEU H . 18429 1 96 . 1 1 8 8 LEU HA H 1 4.049 0.030 . 1 . . . A 8 LEU HA . 18429 1 97 . 1 1 8 8 LEU HB2 H 1 1.842 0.030 . 2 . . . A 8 LEU HB2 . 18429 1 98 . 1 1 8 8 LEU HB3 H 1 1.661 0.030 . 2 . . . A 8 LEU HB3 . 18429 1 99 . 1 1 8 8 LEU HG H 1 1.727 0.030 . 1 . . . A 8 LEU HG . 18429 1 100 . 1 1 8 8 LEU HD11 H 1 0.885 0.030 . 2 . . . A 8 LEU HD11 . 18429 1 101 . 1 1 8 8 LEU HD12 H 1 0.885 0.030 . 2 . . . A 8 LEU HD12 . 18429 1 102 . 1 1 8 8 LEU HD13 H 1 0.885 0.030 . 2 . . . A 8 LEU HD13 . 18429 1 103 . 1 1 8 8 LEU HD21 H 1 0.837 0.030 . 2 . . . A 8 LEU HD21 . 18429 1 104 . 1 1 8 8 LEU HD22 H 1 0.837 0.030 . 2 . . . A 8 LEU HD22 . 18429 1 105 . 1 1 8 8 LEU HD23 H 1 0.837 0.030 . 2 . . . A 8 LEU HD23 . 18429 1 106 . 1 1 8 8 LEU C C 13 178.490 0.400 . 1 . . . A 8 LEU C . 18429 1 107 . 1 1 8 8 LEU CA C 13 57.689 0.400 . 1 . . . A 8 LEU CA . 18429 1 108 . 1 1 8 8 LEU CB C 13 41.605 0.400 . 1 . . . A 8 LEU CB . 18429 1 109 . 1 1 8 8 LEU CG C 13 26.838 0.400 . 1 . . . A 8 LEU CG . 18429 1 110 . 1 1 8 8 LEU CD1 C 13 25.340 0.400 . 1 . . . A 8 LEU CD1 . 18429 1 111 . 1 1 8 8 LEU CD2 C 13 24.462 0.400 . 1 . . . A 8 LEU CD2 . 18429 1 112 . 1 1 8 8 LEU N N 15 120.724 0.400 . 1 . . . A 8 LEU N . 18429 1 113 . 1 1 9 9 LEU H H 1 8.158 0.030 . 1 . . . A 9 LEU H . 18429 1 114 . 1 1 9 9 LEU HA H 1 3.938 0.030 . 1 . . . A 9 LEU HA . 18429 1 115 . 1 1 9 9 LEU HB2 H 1 1.771 0.030 . 2 . . . A 9 LEU HB2 . 18429 1 116 . 1 1 9 9 LEU HB3 H 1 1.694 0.030 . 2 . . . A 9 LEU HB3 . 18429 1 117 . 1 1 9 9 LEU HG H 1 1.761 0.030 . 1 . . . A 9 LEU HG . 18429 1 118 . 1 1 9 9 LEU HD11 H 1 0.882 0.030 . 2 . . . A 9 LEU HD11 . 18429 1 119 . 1 1 9 9 LEU HD12 H 1 0.882 0.030 . 2 . . . A 9 LEU HD12 . 18429 1 120 . 1 1 9 9 LEU HD13 H 1 0.882 0.030 . 2 . . . A 9 LEU HD13 . 18429 1 121 . 1 1 9 9 LEU HD21 H 1 0.843 0.030 . 2 . . . A 9 LEU HD21 . 18429 1 122 . 1 1 9 9 LEU HD22 H 1 0.843 0.030 . 2 . . . A 9 LEU HD22 . 18429 1 123 . 1 1 9 9 LEU HD23 H 1 0.843 0.030 . 2 . . . A 9 LEU HD23 . 18429 1 124 . 1 1 9 9 LEU C C 13 178.981 0.400 . 1 . . . A 9 LEU C . 18429 1 125 . 1 1 9 9 LEU CA C 13 57.958 0.400 . 1 . . . A 9 LEU CA . 18429 1 126 . 1 1 9 9 LEU CB C 13 40.842 0.400 . 1 . . . A 9 LEU CB . 18429 1 127 . 1 1 9 9 LEU CG C 13 27.098 0.400 . 1 . . . A 9 LEU CG . 18429 1 128 . 1 1 9 9 LEU CD1 C 13 24.670 0.400 . 1 . . . A 9 LEU CD1 . 18429 1 129 . 1 1 9 9 LEU CD2 C 13 24.041 0.400 . 1 . . . A 9 LEU CD2 . 18429 1 130 . 1 1 9 9 LEU N N 15 118.886 0.400 . 1 . . . A 9 LEU N . 18429 1 131 . 1 1 10 10 GLU H H 1 8.069 0.030 . 1 . . . A 10 GLU H . 18429 1 132 . 1 1 10 10 GLU HA H 1 4.052 0.030 . 1 . . . A 10 GLU HA . 18429 1 133 . 1 1 10 10 GLU HB2 H 1 2.019 0.030 . 2 . . . A 10 GLU HB2 . 18429 1 134 . 1 1 10 10 GLU HB3 H 1 2.044 0.030 . 2 . . . A 10 GLU HB3 . 18429 1 135 . 1 1 10 10 GLU HG2 H 1 2.478 0.030 . 2 . . . A 10 GLU HG2 . 18429 1 136 . 1 1 10 10 GLU HG3 H 1 2.197 0.030 . 2 . . . A 10 GLU HG3 . 18429 1 137 . 1 1 10 10 GLU C C 13 179.601 0.400 . 1 . . . A 10 GLU C . 18429 1 138 . 1 1 10 10 GLU CA C 13 59.278 0.400 . 1 . . . A 10 GLU CA . 18429 1 139 . 1 1 10 10 GLU CB C 13 29.286 0.400 . 1 . . . A 10 GLU CB . 18429 1 140 . 1 1 10 10 GLU CG C 13 36.426 0.400 . 1 . . . A 10 GLU CG . 18429 1 141 . 1 1 10 10 GLU N N 15 119.000 0.400 . 1 . . . A 10 GLU N . 18429 1 142 . 1 1 11 11 LYS H H 1 7.676 0.030 . 1 . . . A 11 LYS H . 18429 1 143 . 1 1 11 11 LYS HA H 1 4.083 0.030 . 1 . . . A 11 LYS HA . 18429 1 144 . 1 1 11 11 LYS HB2 H 1 1.975 0.030 . 2 . . . A 11 LYS HB2 . 18429 1 145 . 1 1 11 11 LYS HB3 H 1 1.918 0.030 . 2 . . . A 11 LYS HB3 . 18429 1 146 . 1 1 11 11 LYS HG2 H 1 1.567 0.030 . 2 . . . A 11 LYS HG2 . 18429 1 147 . 1 1 11 11 LYS HG3 H 1 1.528 0.030 . 2 . . . A 11 LYS HG3 . 18429 1 148 . 1 1 11 11 LYS HD2 H 1 1.687 0.030 . 1 . . . A 11 LYS HD2 . 18429 1 149 . 1 1 11 11 LYS HD3 H 1 1.687 0.030 . 1 . . . A 11 LYS HD3 . 18429 1 150 . 1 1 11 11 LYS HE2 H 1 2.905 0.030 . 1 . . . A 11 LYS HE2 . 18429 1 151 . 1 1 11 11 LYS HE3 H 1 2.905 0.030 . 1 . . . A 11 LYS HE3 . 18429 1 152 . 1 1 11 11 LYS C C 13 178.971 0.400 . 1 . . . A 11 LYS C . 18429 1 153 . 1 1 11 11 LYS CA C 13 58.772 0.400 . 1 . . . A 11 LYS CA . 18429 1 154 . 1 1 11 11 LYS CB C 13 31.996 0.400 . 1 . . . A 11 LYS CB . 18429 1 155 . 1 1 11 11 LYS CG C 13 25.199 0.400 . 1 . . . A 11 LYS CG . 18429 1 156 . 1 1 11 11 LYS CD C 13 28.803 0.400 . 1 . . . A 11 LYS CD . 18429 1 157 . 1 1 11 11 LYS CE C 13 41.973 0.400 . 1 . . . A 11 LYS CE . 18429 1 158 . 1 1 11 11 LYS N N 15 119.446 0.400 . 1 . . . A 11 LYS N . 18429 1 159 . 1 1 12 12 LEU H H 1 8.378 0.030 . 1 . . . A 12 LEU H . 18429 1 160 . 1 1 12 12 LEU HA H 1 3.884 0.030 . 1 . . . A 12 LEU HA . 18429 1 161 . 1 1 12 12 LEU HB2 H 1 1.547 0.030 . 2 . . . A 12 LEU HB2 . 18429 1 162 . 1 1 12 12 LEU HB3 H 1 1.853 0.030 . 2 . . . A 12 LEU HB3 . 18429 1 163 . 1 1 12 12 LEU HG H 1 1.829 0.030 . 1 . . . A 12 LEU HG . 18429 1 164 . 1 1 12 12 LEU HD11 H 1 0.730 0.030 . 2 . . . A 12 LEU HD11 . 18429 1 165 . 1 1 12 12 LEU HD12 H 1 0.730 0.030 . 2 . . . A 12 LEU HD12 . 18429 1 166 . 1 1 12 12 LEU HD13 H 1 0.730 0.030 . 2 . . . A 12 LEU HD13 . 18429 1 167 . 1 1 12 12 LEU HD21 H 1 0.717 0.030 . 2 . . . A 12 LEU HD21 . 18429 1 168 . 1 1 12 12 LEU HD22 H 1 0.717 0.030 . 2 . . . A 12 LEU HD22 . 18429 1 169 . 1 1 12 12 LEU HD23 H 1 0.717 0.030 . 2 . . . A 12 LEU HD23 . 18429 1 170 . 1 1 12 12 LEU C C 13 177.977 0.400 . 1 . . . A 12 LEU C . 18429 1 171 . 1 1 12 12 LEU CA C 13 57.725 0.400 . 1 . . . A 12 LEU CA . 18429 1 172 . 1 1 12 12 LEU CB C 13 41.577 0.400 . 1 . . . A 12 LEU CB . 18429 1 173 . 1 1 12 12 LEU CG C 13 26.756 0.400 . 1 . . . A 12 LEU CG . 18429 1 174 . 1 1 12 12 LEU CD1 C 13 25.720 0.400 . 1 . . . A 12 LEU CD1 . 18429 1 175 . 1 1 12 12 LEU CD2 C 13 23.552 0.400 . 1 . . . A 12 LEU CD2 . 18429 1 176 . 1 1 12 12 LEU N N 15 120.017 0.400 . 1 . . . A 12 LEU N . 18429 1 177 . 1 1 13 13 GLU H H 1 8.458 0.030 . 1 . . . A 13 GLU H . 18429 1 178 . 1 1 13 13 GLU HA H 1 3.696 0.030 . 1 . . . A 13 GLU HA . 18429 1 179 . 1 1 13 13 GLU HB2 H 1 2.061 0.030 . 1 . . . A 13 GLU HB2 . 18429 1 180 . 1 1 13 13 GLU HB3 H 1 2.061 0.030 . 1 . . . A 13 GLU HB3 . 18429 1 181 . 1 1 13 13 GLU HG2 H 1 2.392 0.030 . 2 . . . A 13 GLU HG2 . 18429 1 182 . 1 1 13 13 GLU HG3 H 1 2.094 0.030 . 2 . . . A 13 GLU HG3 . 18429 1 183 . 1 1 13 13 GLU C C 13 177.934 0.400 . 1 . . . A 13 GLU C . 18429 1 184 . 1 1 13 13 GLU CA C 13 60.116 0.400 . 1 . . . A 13 GLU CA . 18429 1 185 . 1 1 13 13 GLU CB C 13 29.398 0.400 . 1 . . . A 13 GLU CB . 18429 1 186 . 1 1 13 13 GLU CG C 13 36.739 0.400 . 1 . . . A 13 GLU CG . 18429 1 187 . 1 1 13 13 GLU N N 15 117.914 0.400 . 1 . . . A 13 GLU N . 18429 1 188 . 1 1 14 14 LYS H H 1 7.365 0.030 . 1 . . . A 14 LYS H . 18429 1 189 . 1 1 14 14 LYS HA H 1 4.135 0.030 . 1 . . . A 14 LYS HA . 18429 1 190 . 1 1 14 14 LYS HB2 H 1 1.969 0.030 . 1 . . . A 14 LYS HB2 . 18429 1 191 . 1 1 14 14 LYS HB3 H 1 1.969 0.030 . 1 . . . A 14 LYS HB3 . 18429 1 192 . 1 1 14 14 LYS HG2 H 1 1.594 0.030 . 2 . . . A 14 LYS HG2 . 18429 1 193 . 1 1 14 14 LYS HG3 H 1 1.494 0.030 . 2 . . . A 14 LYS HG3 . 18429 1 194 . 1 1 14 14 LYS HD2 H 1 1.701 0.030 . 1 . . . A 14 LYS HD2 . 18429 1 195 . 1 1 14 14 LYS HD3 H 1 1.701 0.030 . 1 . . . A 14 LYS HD3 . 18429 1 196 . 1 1 14 14 LYS HE2 H 1 2.975 0.030 . 1 . . . A 14 LYS HE2 . 18429 1 197 . 1 1 14 14 LYS HE3 H 1 2.975 0.030 . 1 . . . A 14 LYS HE3 . 18429 1 198 . 1 1 14 14 LYS C C 13 179.227 0.400 . 1 . . . A 14 LYS C . 18429 1 199 . 1 1 14 14 LYS CA C 13 58.866 0.400 . 1 . . . A 14 LYS CA . 18429 1 200 . 1 1 14 14 LYS CB C 13 32.127 0.400 . 1 . . . A 14 LYS CB . 18429 1 201 . 1 1 14 14 LYS CG C 13 24.761 0.400 . 1 . . . A 14 LYS CG . 18429 1 202 . 1 1 14 14 LYS CD C 13 28.965 0.400 . 1 . . . A 14 LYS CD . 18429 1 203 . 1 1 14 14 LYS CE C 13 41.969 0.400 . 1 . . . A 14 LYS CE . 18429 1 204 . 1 1 14 14 LYS N N 15 117.629 0.400 . 1 . . . A 14 LYS N . 18429 1 205 . 1 1 15 15 ILE H H 1 7.726 0.030 . 1 . . . A 15 ILE H . 18429 1 206 . 1 1 15 15 ILE HA H 1 3.777 0.030 . 1 . . . A 15 ILE HA . 18429 1 207 . 1 1 15 15 ILE HB H 1 1.981 0.030 . 1 . . . A 15 ILE HB . 18429 1 208 . 1 1 15 15 ILE HG12 H 1 1.820 0.030 . 2 . . . A 15 ILE HG12 . 18429 1 209 . 1 1 15 15 ILE HG13 H 1 1.118 0.030 . 2 . . . A 15 ILE HG13 . 18429 1 210 . 1 1 15 15 ILE HG21 H 1 0.914 0.030 . 1 . . . A 15 ILE HG21 . 18429 1 211 . 1 1 15 15 ILE HG22 H 1 0.914 0.030 . 1 . . . A 15 ILE HG22 . 18429 1 212 . 1 1 15 15 ILE HG23 H 1 0.914 0.030 . 1 . . . A 15 ILE HG23 . 18429 1 213 . 1 1 15 15 ILE HD11 H 1 0.809 0.030 . 1 . . . A 15 ILE HD11 . 18429 1 214 . 1 1 15 15 ILE HD12 H 1 0.809 0.030 . 1 . . . A 15 ILE HD12 . 18429 1 215 . 1 1 15 15 ILE HD13 H 1 0.809 0.030 . 1 . . . A 15 ILE HD13 . 18429 1 216 . 1 1 15 15 ILE C C 13 178.009 0.400 . 1 . . . A 15 ILE C . 18429 1 217 . 1 1 15 15 ILE CA C 13 64.889 0.400 . 1 . . . A 15 ILE CA . 18429 1 218 . 1 1 15 15 ILE CB C 13 38.200 0.400 . 1 . . . A 15 ILE CB . 18429 1 219 . 1 1 15 15 ILE CG1 C 13 28.521 0.400 . 1 . . . A 15 ILE CG1 . 18429 1 220 . 1 1 15 15 ILE CG2 C 13 17.493 0.400 . 1 . . . A 15 ILE CG2 . 18429 1 221 . 1 1 15 15 ILE CD1 C 13 14.393 0.400 . 1 . . . A 15 ILE CD1 . 18429 1 222 . 1 1 15 15 ILE N N 15 119.583 0.400 . 1 . . . A 15 ILE N . 18429 1 223 . 1 1 16 16 LEU H H 1 8.372 0.030 . 1 . . . A 16 LEU H . 18429 1 224 . 1 1 16 16 LEU HA H 1 3.853 0.030 . 1 . . . A 16 LEU HA . 18429 1 225 . 1 1 16 16 LEU HB2 H 1 1.829 0.030 . 1 . . . A 16 LEU HB2 . 18429 1 226 . 1 1 16 16 LEU HB3 H 1 1.334 0.030 . 1 . . . A 16 LEU HB3 . 18429 1 227 . 1 1 16 16 LEU HG H 1 1.656 0.030 . 1 . . . A 16 LEU HG . 18429 1 228 . 1 1 16 16 LEU HD11 H 1 0.595 0.030 . 2 . . . A 16 LEU HD11 . 18429 1 229 . 1 1 16 16 LEU HD12 H 1 0.595 0.030 . 2 . . . A 16 LEU HD12 . 18429 1 230 . 1 1 16 16 LEU HD13 H 1 0.595 0.030 . 2 . . . A 16 LEU HD13 . 18429 1 231 . 1 1 16 16 LEU HD21 H 1 0.356 0.030 . 2 . . . A 16 LEU HD21 . 18429 1 232 . 1 1 16 16 LEU HD22 H 1 0.356 0.030 . 2 . . . A 16 LEU HD22 . 18429 1 233 . 1 1 16 16 LEU HD23 H 1 0.356 0.030 . 2 . . . A 16 LEU HD23 . 18429 1 234 . 1 1 16 16 LEU C C 13 179.729 0.400 . 1 . . . A 16 LEU C . 18429 1 235 . 1 1 16 16 LEU CA C 13 57.842 0.400 . 1 . . . A 16 LEU CA . 18429 1 236 . 1 1 16 16 LEU CB C 13 40.637 0.400 . 1 . . . A 16 LEU CB . 18429 1 237 . 1 1 16 16 LEU CG C 13 26.279 0.400 . 1 . . . A 16 LEU CG . 18429 1 238 . 1 1 16 16 LEU CD1 C 13 25.068 0.400 . 1 . . . A 16 LEU CD1 . 18429 1 239 . 1 1 16 16 LEU CD2 C 13 22.053 0.400 . 1 . . . A 16 LEU CD2 . 18429 1 240 . 1 1 16 16 LEU N N 15 118.601 0.400 . 1 . . . A 16 LEU N . 18429 1 241 . 1 1 17 17 ASP H H 1 8.192 0.030 . 1 . . . A 17 ASP H . 18429 1 242 . 1 1 17 17 ASP HA H 1 4.336 0.030 . 1 . . . A 17 ASP HA . 18429 1 243 . 1 1 17 17 ASP HB2 H 1 2.699 0.030 . 2 . . . A 17 ASP HB2 . 18429 1 244 . 1 1 17 17 ASP HB3 H 1 2.820 0.030 . 2 . . . A 17 ASP HB3 . 18429 1 245 . 1 1 17 17 ASP C C 13 178.148 0.400 . 1 . . . A 17 ASP C . 18429 1 246 . 1 1 17 17 ASP CA C 13 57.289 0.400 . 1 . . . A 17 ASP CA . 18429 1 247 . 1 1 17 17 ASP CB C 13 40.268 0.400 . 1 . . . A 17 ASP CB . 18429 1 248 . 1 1 17 17 ASP N N 15 120.008 0.400 . 1 . . . A 17 ASP N . 18429 1 249 . 1 1 18 18 GLU H H 1 7.860 0.030 . 1 . . . A 18 GLU H . 18429 1 250 . 1 1 18 18 GLU HA H 1 4.151 0.030 . 1 . . . A 18 GLU HA . 18429 1 251 . 1 1 18 18 GLU HB2 H 1 2.246 0.030 . 1 . . . A 18 GLU HB2 . 18429 1 252 . 1 1 18 18 GLU HB3 H 1 2.246 0.030 . 1 . . . A 18 GLU HB3 . 18429 1 253 . 1 1 18 18 GLU HG2 H 1 2.472 0.030 . 2 . . . A 18 GLU HG2 . 18429 1 254 . 1 1 18 18 GLU HG3 H 1 2.261 0.030 . 2 . . . A 18 GLU HG3 . 18429 1 255 . 1 1 18 18 GLU C C 13 179.653 0.400 . 1 . . . A 18 GLU C . 18429 1 256 . 1 1 18 18 GLU CA C 13 59.255 0.400 . 1 . . . A 18 GLU CA . 18429 1 257 . 1 1 18 18 GLU CB C 13 29.200 0.400 . 1 . . . A 18 GLU CB . 18429 1 258 . 1 1 18 18 GLU CG C 13 36.412 0.400 . 1 . . . A 18 GLU CG . 18429 1 259 . 1 1 18 18 GLU N N 15 119.362 0.400 . 1 . . . A 18 GLU N . 18429 1 260 . 1 1 19 19 VAL H H 1 8.416 0.030 . 1 . . . A 19 VAL H . 18429 1 261 . 1 1 19 19 VAL HA H 1 3.826 0.030 . 1 . . . A 19 VAL HA . 18429 1 262 . 1 1 19 19 VAL HB H 1 2.338 0.030 . 1 . . . A 19 VAL HB . 18429 1 263 . 1 1 19 19 VAL HG11 H 1 1.217 0.030 . 2 . . . A 19 VAL HG11 . 18429 1 264 . 1 1 19 19 VAL HG12 H 1 1.217 0.030 . 2 . . . A 19 VAL HG12 . 18429 1 265 . 1 1 19 19 VAL HG13 H 1 1.217 0.030 . 2 . . . A 19 VAL HG13 . 18429 1 266 . 1 1 19 19 VAL HG21 H 1 0.959 0.030 . 2 . . . A 19 VAL HG21 . 18429 1 267 . 1 1 19 19 VAL HG22 H 1 0.959 0.030 . 2 . . . A 19 VAL HG22 . 18429 1 268 . 1 1 19 19 VAL HG23 H 1 0.959 0.030 . 2 . . . A 19 VAL HG23 . 18429 1 269 . 1 1 19 19 VAL C C 13 177.496 0.400 . 1 . . . A 19 VAL C . 18429 1 270 . 1 1 19 19 VAL CA C 13 64.897 0.400 . 1 . . . A 19 VAL CA . 18429 1 271 . 1 1 19 19 VAL CB C 13 31.809 0.400 . 1 . . . A 19 VAL CB . 18429 1 272 . 1 1 19 19 VAL CG1 C 13 23.021 0.400 . 1 . . . A 19 VAL CG1 . 18429 1 273 . 1 1 19 19 VAL CG2 C 13 21.625 0.400 . 1 . . . A 19 VAL CG2 . 18429 1 274 . 1 1 19 19 VAL N N 15 118.483 0.400 . 1 . . . A 19 VAL N . 18429 1 275 . 1 1 20 20 THR H H 1 7.985 0.030 . 1 . . . A 20 THR H . 18429 1 276 . 1 1 20 20 THR HA H 1 3.856 0.030 . 1 . . . A 20 THR HA . 18429 1 277 . 1 1 20 20 THR HB H 1 4.311 0.030 . 1 . . . A 20 THR HB . 18429 1 278 . 1 1 20 20 THR HG21 H 1 1.241 0.030 . 1 . . . A 20 THR HG21 . 18429 1 279 . 1 1 20 20 THR HG22 H 1 1.241 0.030 . 1 . . . A 20 THR HG22 . 18429 1 280 . 1 1 20 20 THR HG23 H 1 1.241 0.030 . 1 . . . A 20 THR HG23 . 18429 1 281 . 1 1 20 20 THR C C 13 175.894 0.400 . 1 . . . A 20 THR C . 18429 1 282 . 1 1 20 20 THR CA C 13 65.696 0.400 . 1 . . . A 20 THR CA . 18429 1 283 . 1 1 20 20 THR CB C 13 68.587 0.400 . 1 . . . A 20 THR CB . 18429 1 284 . 1 1 20 20 THR CG2 C 13 21.794 0.400 . 1 . . . A 20 THR CG2 . 18429 1 285 . 1 1 20 20 THR N N 15 112.904 0.400 . 1 . . . A 20 THR N . 18429 1 286 . 1 1 21 21 ASP H H 1 7.935 0.030 . 1 . . . A 21 ASP H . 18429 1 287 . 1 1 21 21 ASP HA H 1 4.443 0.030 . 1 . . . A 21 ASP HA . 18429 1 288 . 1 1 21 21 ASP HB2 H 1 2.740 0.030 . 2 . . . A 21 ASP HB2 . 18429 1 289 . 1 1 21 21 ASP HB3 H 1 2.672 0.030 . 2 . . . A 21 ASP HB3 . 18429 1 290 . 1 1 21 21 ASP C C 13 177.358 0.400 . 1 . . . A 21 ASP C . 18429 1 291 . 1 1 21 21 ASP CA C 13 56.368 0.400 . 1 . . . A 21 ASP CA . 18429 1 292 . 1 1 21 21 ASP CB C 13 40.873 0.400 . 1 . . . A 21 ASP CB . 18429 1 293 . 1 1 21 21 ASP N N 15 120.510 0.400 . 1 . . . A 21 ASP N . 18429 1 294 . 1 1 22 22 GLY H H 1 7.939 0.030 . 1 . . . A 22 GLY H . 18429 1 295 . 1 1 22 22 GLY HA2 H 1 3.798 0.030 . 2 . . . A 22 GLY HA2 . 18429 1 296 . 1 1 22 22 GLY HA3 H 1 4.144 0.030 . 2 . . . A 22 GLY HA3 . 18429 1 297 . 1 1 22 22 GLY C C 13 174.004 0.400 . 1 . . . A 22 GLY C . 18429 1 298 . 1 1 22 22 GLY CA C 13 44.827 0.400 . 1 . . . A 22 GLY CA . 18429 1 299 . 1 1 22 22 GLY N N 15 106.730 0.400 . 1 . . . A 22 GLY N . 18429 1 300 . 1 1 23 23 ALA H H 1 7.531 0.030 . 1 . . . A 23 ALA H . 18429 1 301 . 1 1 23 23 ALA HA H 1 4.508 0.030 . 1 . . . A 23 ALA HA . 18429 1 302 . 1 1 23 23 ALA HB1 H 1 1.354 0.030 . 1 . . . A 23 ALA HB1 . 18429 1 303 . 1 1 23 23 ALA HB2 H 1 1.354 0.030 . 1 . . . A 23 ALA HB2 . 18429 1 304 . 1 1 23 23 ALA HB3 H 1 1.354 0.030 . 1 . . . A 23 ALA HB3 . 18429 1 305 . 1 1 23 23 ALA C C 13 174.921 0.400 . 1 . . . A 23 ALA C . 18429 1 306 . 1 1 23 23 ALA CA C 13 50.351 0.400 . 1 . . . A 23 ALA CA . 18429 1 307 . 1 1 23 23 ALA CB C 13 17.504 0.400 . 1 . . . A 23 ALA CB . 18429 1 308 . 1 1 23 23 ALA N N 15 124.286 0.400 . 1 . . . A 23 ALA N . 18429 1 309 . 1 1 24 24 PRO HA H 1 4.563 0.030 . 1 . . . A 24 PRO HA . 18429 1 310 . 1 1 24 24 PRO HB2 H 1 2.468 0.030 . 2 . . . A 24 PRO HB2 . 18429 1 311 . 1 1 24 24 PRO HB3 H 1 2.034 0.030 . 2 . . . A 24 PRO HB3 . 18429 1 312 . 1 1 24 24 PRO HG2 H 1 2.101 0.030 . 2 . . . A 24 PRO HG2 . 18429 1 313 . 1 1 24 24 PRO HG3 H 1 2.077 0.030 . 2 . . . A 24 PRO HG3 . 18429 1 314 . 1 1 24 24 PRO HD2 H 1 3.902 0.030 . 2 . . . A 24 PRO HD2 . 18429 1 315 . 1 1 24 24 PRO HD3 H 1 3.496 0.030 . 2 . . . A 24 PRO HD3 . 18429 1 316 . 1 1 24 24 PRO C C 13 177.571 0.400 . 1 . . . A 24 PRO C . 18429 1 317 . 1 1 24 24 PRO CA C 13 62.490 0.400 . 1 . . . A 24 PRO CA . 18429 1 318 . 1 1 24 24 PRO CB C 13 32.098 0.400 . 1 . . . A 24 PRO CB . 18429 1 319 . 1 1 24 24 PRO CG C 13 27.700 0.400 . 1 . . . A 24 PRO CG . 18429 1 320 . 1 1 24 24 PRO CD C 13 50.173 0.400 . 1 . . . A 24 PRO CD . 18429 1 321 . 1 1 25 25 ASP H H 1 8.779 0.030 . 1 . . . A 25 ASP H . 18429 1 322 . 1 1 25 25 ASP HA H 1 4.255 0.030 . 1 . . . A 25 ASP HA . 18429 1 323 . 1 1 25 25 ASP HB2 H 1 2.701 0.030 . 2 . . . A 25 ASP HB2 . 18429 1 324 . 1 1 25 25 ASP HB3 H 1 2.635 0.030 . 2 . . . A 25 ASP HB3 . 18429 1 325 . 1 1 25 25 ASP C C 13 178.298 0.400 . 1 . . . A 25 ASP C . 18429 1 326 . 1 1 25 25 ASP CA C 13 58.063 0.400 . 1 . . . A 25 ASP CA . 18429 1 327 . 1 1 25 25 ASP CB C 13 40.517 0.400 . 1 . . . A 25 ASP CB . 18429 1 328 . 1 1 25 25 ASP N N 15 122.828 0.400 . 1 . . . A 25 ASP N . 18429 1 329 . 1 1 26 26 GLU H H 1 9.324 0.030 . 1 . . . A 26 GLU H . 18429 1 330 . 1 1 26 26 GLU HA H 1 4.135 0.030 . 1 . . . A 26 GLU HA . 18429 1 331 . 1 1 26 26 GLU HB2 H 1 2.058 0.030 . 1 . . . A 26 GLU HB2 . 18429 1 332 . 1 1 26 26 GLU HB3 H 1 2.058 0.030 . 1 . . . A 26 GLU HB3 . 18429 1 333 . 1 1 26 26 GLU HG2 H 1 2.341 0.030 . 1 . . . A 26 GLU HG2 . 18429 1 334 . 1 1 26 26 GLU HG3 H 1 2.341 0.030 . 1 . . . A 26 GLU HG3 . 18429 1 335 . 1 1 26 26 GLU C C 13 177.454 0.400 . 1 . . . A 26 GLU C . 18429 1 336 . 1 1 26 26 GLU CA C 13 59.224 0.400 . 1 . . . A 26 GLU CA . 18429 1 337 . 1 1 26 26 GLU CB C 13 28.554 0.400 . 1 . . . A 26 GLU CB . 18429 1 338 . 1 1 26 26 GLU CG C 13 36.063 0.400 . 1 . . . A 26 GLU CG . 18429 1 339 . 1 1 26 26 GLU N N 15 117.055 0.400 . 1 . . . A 26 GLU N . 18429 1 340 . 1 1 27 27 ALA H H 1 7.474 0.030 . 1 . . . A 27 ALA H . 18429 1 341 . 1 1 27 27 ALA HA H 1 4.411 0.030 . 1 . . . A 27 ALA HA . 18429 1 342 . 1 1 27 27 ALA HB1 H 1 1.473 0.030 . 1 . . . A 27 ALA HB1 . 18429 1 343 . 1 1 27 27 ALA HB2 H 1 1.473 0.030 . 1 . . . A 27 ALA HB2 . 18429 1 344 . 1 1 27 27 ALA HB3 H 1 1.473 0.030 . 1 . . . A 27 ALA HB3 . 18429 1 345 . 1 1 27 27 ALA C C 13 178.065 0.400 . 1 . . . A 27 ALA C . 18429 1 346 . 1 1 27 27 ALA CA C 13 52.879 0.400 . 1 . . . A 27 ALA CA . 18429 1 347 . 1 1 27 27 ALA CB C 13 19.896 0.400 . 1 . . . A 27 ALA CB . 18429 1 348 . 1 1 27 27 ALA N N 15 120.789 0.400 . 1 . . . A 27 ALA N . 18429 1 349 . 1 1 28 28 ARG H H 1 7.803 0.030 . 1 . . . A 28 ARG H . 18429 1 350 . 1 1 28 28 ARG HA H 1 3.675 0.030 . 1 . . . A 28 ARG HA . 18429 1 351 . 1 1 28 28 ARG HB2 H 1 1.899 0.030 . 2 . . . A 28 ARG HB2 . 18429 1 352 . 1 1 28 28 ARG HB3 H 1 2.046 0.030 . 2 . . . A 28 ARG HB3 . 18429 1 353 . 1 1 28 28 ARG HG2 H 1 1.669 0.030 . 2 . . . A 28 ARG HG2 . 18429 1 354 . 1 1 28 28 ARG HG3 H 1 1.592 0.030 . 2 . . . A 28 ARG HG3 . 18429 1 355 . 1 1 28 28 ARG HD2 H 1 3.281 0.030 . 1 . . . A 28 ARG HD2 . 18429 1 356 . 1 1 28 28 ARG HD3 H 1 3.281 0.030 . 1 . . . A 28 ARG HD3 . 18429 1 357 . 1 1 28 28 ARG C C 13 177.550 0.400 . 1 . . . A 28 ARG C . 18429 1 358 . 1 1 28 28 ARG CA C 13 60.602 0.400 . 1 . . . A 28 ARG CA . 18429 1 359 . 1 1 28 28 ARG CB C 13 29.544 0.400 . 1 . . . A 28 ARG CB . 18429 1 360 . 1 1 28 28 ARG CG C 13 27.541 0.400 . 1 . . . A 28 ARG CG . 18429 1 361 . 1 1 28 28 ARG CD C 13 42.899 0.400 . 1 . . . A 28 ARG CD . 18429 1 362 . 1 1 28 28 ARG N N 15 118.872 0.400 . 1 . . . A 28 ARG N . 18429 1 363 . 1 1 29 29 GLU H H 1 8.490 0.030 . 1 . . . A 29 GLU H . 18429 1 364 . 1 1 29 29 GLU HA H 1 4.042 0.030 . 1 . . . A 29 GLU HA . 18429 1 365 . 1 1 29 29 GLU HB2 H 1 2.046 0.030 . 1 . . . A 29 GLU HB2 . 18429 1 366 . 1 1 29 29 GLU HB3 H 1 2.046 0.030 . 1 . . . A 29 GLU HB3 . 18429 1 367 . 1 1 29 29 GLU HG2 H 1 2.389 0.030 . 2 . . . A 29 GLU HG2 . 18429 1 368 . 1 1 29 29 GLU HG3 H 1 2.219 0.030 . 2 . . . A 29 GLU HG3 . 18429 1 369 . 1 1 29 29 GLU C C 13 179.122 0.400 . 1 . . . A 29 GLU C . 18429 1 370 . 1 1 29 29 GLU CA C 13 59.607 0.400 . 1 . . . A 29 GLU CA . 18429 1 371 . 1 1 29 29 GLU CB C 13 29.241 0.400 . 1 . . . A 29 GLU CB . 18429 1 372 . 1 1 29 29 GLU CG C 13 36.571 0.400 . 1 . . . A 29 GLU CG . 18429 1 373 . 1 1 29 29 GLU N N 15 117.512 0.400 . 1 . . . A 29 GLU N . 18429 1 374 . 1 1 30 30 ARG H H 1 7.789 0.030 . 1 . . . A 30 ARG H . 18429 1 375 . 1 1 30 30 ARG HA H 1 4.134 0.030 . 1 . . . A 30 ARG HA . 18429 1 376 . 1 1 30 30 ARG HB2 H 1 1.969 0.030 . 1 . . . A 30 ARG HB2 . 18429 1 377 . 1 1 30 30 ARG HB3 H 1 1.969 0.030 . 1 . . . A 30 ARG HB3 . 18429 1 378 . 1 1 30 30 ARG HG2 H 1 1.742 0.030 . 2 . . . A 30 ARG HG2 . 18429 1 379 . 1 1 30 30 ARG HG3 H 1 1.620 0.030 . 2 . . . A 30 ARG HG3 . 18429 1 380 . 1 1 30 30 ARG HD2 H 1 3.235 0.030 . 1 . . . A 30 ARG HD2 . 18429 1 381 . 1 1 30 30 ARG HD3 H 1 3.235 0.030 . 1 . . . A 30 ARG HD3 . 18429 1 382 . 1 1 30 30 ARG C C 13 179.248 0.400 . 1 . . . A 30 ARG C . 18429 1 383 . 1 1 30 30 ARG CA C 13 58.829 0.400 . 1 . . . A 30 ARG CA . 18429 1 384 . 1 1 30 30 ARG CB C 13 29.865 0.400 . 1 . . . A 30 ARG CB . 18429 1 385 . 1 1 30 30 ARG CG C 13 27.787 0.400 . 1 . . . A 30 ARG CG . 18429 1 386 . 1 1 30 30 ARG CD C 13 43.132 0.400 . 1 . . . A 30 ARG CD . 18429 1 387 . 1 1 30 30 ARG N N 15 119.240 0.400 . 1 . . . A 30 ARG N . 18429 1 388 . 1 1 31 31 ILE H H 1 8.256 0.030 . 1 . . . A 31 ILE H . 18429 1 389 . 1 1 31 31 ILE HA H 1 3.738 0.030 . 1 . . . A 31 ILE HA . 18429 1 390 . 1 1 31 31 ILE HB H 1 1.976 0.030 . 1 . . . A 31 ILE HB . 18429 1 391 . 1 1 31 31 ILE HG12 H 1 1.606 0.030 . 2 . . . A 31 ILE HG12 . 18429 1 392 . 1 1 31 31 ILE HG13 H 1 1.272 0.030 . 2 . . . A 31 ILE HG13 . 18429 1 393 . 1 1 31 31 ILE HG21 H 1 0.964 0.030 . 1 . . . A 31 ILE HG21 . 18429 1 394 . 1 1 31 31 ILE HG22 H 1 0.964 0.030 . 1 . . . A 31 ILE HG22 . 18429 1 395 . 1 1 31 31 ILE HG23 H 1 0.964 0.030 . 1 . . . A 31 ILE HG23 . 18429 1 396 . 1 1 31 31 ILE HD11 H 1 0.691 0.030 . 1 . . . A 31 ILE HD11 . 18429 1 397 . 1 1 31 31 ILE HD12 H 1 0.691 0.030 . 1 . . . A 31 ILE HD12 . 18429 1 398 . 1 1 31 31 ILE HD13 H 1 0.691 0.030 . 1 . . . A 31 ILE HD13 . 18429 1 399 . 1 1 31 31 ILE C C 13 177.089 0.400 . 1 . . . A 31 ILE C . 18429 1 400 . 1 1 31 31 ILE CA C 13 63.818 0.400 . 1 . . . A 31 ILE CA . 18429 1 401 . 1 1 31 31 ILE CB C 13 37.085 0.400 . 1 . . . A 31 ILE CB . 18429 1 402 . 1 1 31 31 ILE CG1 C 13 29.149 0.400 . 1 . . . A 31 ILE CG1 . 18429 1 403 . 1 1 31 31 ILE CG2 C 13 18.246 0.400 . 1 . . . A 31 ILE CG2 . 18429 1 404 . 1 1 31 31 ILE CD1 C 13 12.169 0.400 . 1 . . . A 31 ILE CD1 . 18429 1 405 . 1 1 31 31 ILE N N 15 120.920 0.400 . 1 . . . A 31 ILE N . 18429 1 406 . 1 1 32 32 GLU H H 1 8.697 0.030 . 1 . . . A 32 GLU H . 18429 1 407 . 1 1 32 32 GLU HA H 1 3.936 0.030 . 1 . . . A 32 GLU HA . 18429 1 408 . 1 1 32 32 GLU HB2 H 1 2.158 0.030 . 1 . . . A 32 GLU HB2 . 18429 1 409 . 1 1 32 32 GLU HB3 H 1 2.158 0.030 . 1 . . . A 32 GLU HB3 . 18429 1 410 . 1 1 32 32 GLU HG2 H 1 2.456 0.030 . 2 . . . A 32 GLU HG2 . 18429 1 411 . 1 1 32 32 GLU HG3 H 1 2.194 0.030 . 2 . . . A 32 GLU HG3 . 18429 1 412 . 1 1 32 32 GLU C C 13 179.429 0.400 . 1 . . . A 32 GLU C . 18429 1 413 . 1 1 32 32 GLU CA C 13 59.559 0.400 . 1 . . . A 32 GLU CA . 18429 1 414 . 1 1 32 32 GLU CB C 13 29.403 0.400 . 1 . . . A 32 GLU CB . 18429 1 415 . 1 1 32 32 GLU CG C 13 36.992 0.400 . 1 . . . A 32 GLU CG . 18429 1 416 . 1 1 32 32 GLU N N 15 120.281 0.400 . 1 . . . A 32 GLU N . 18429 1 417 . 1 1 33 33 LYS H H 1 7.764 0.030 . 1 . . . A 33 LYS H . 18429 1 418 . 1 1 33 33 LYS HA H 1 4.058 0.030 . 1 . . . A 33 LYS HA . 18429 1 419 . 1 1 33 33 LYS HB2 H 1 1.963 0.030 . 2 . . . A 33 LYS HB2 . 18429 1 420 . 1 1 33 33 LYS HB3 H 1 1.899 0.030 . 2 . . . A 33 LYS HB3 . 18429 1 421 . 1 1 33 33 LYS HG2 H 1 1.588 0.030 . 2 . . . A 33 LYS HG2 . 18429 1 422 . 1 1 33 33 LYS HG3 H 1 1.475 0.030 . 2 . . . A 33 LYS HG3 . 18429 1 423 . 1 1 33 33 LYS HD2 H 1 1.687 0.030 . 1 . . . A 33 LYS HD2 . 18429 1 424 . 1 1 33 33 LYS HD3 H 1 1.687 0.030 . 1 . . . A 33 LYS HD3 . 18429 1 425 . 1 1 33 33 LYS HE2 H 1 2.970 0.030 . 1 . . . A 33 LYS HE2 . 18429 1 426 . 1 1 33 33 LYS HE3 H 1 2.970 0.030 . 1 . . . A 33 LYS HE3 . 18429 1 427 . 1 1 33 33 LYS C C 13 178.159 0.400 . 1 . . . A 33 LYS C . 18429 1 428 . 1 1 33 33 LYS CA C 13 59.411 0.400 . 1 . . . A 33 LYS CA . 18429 1 429 . 1 1 33 33 LYS CB C 13 32.050 0.400 . 1 . . . A 33 LYS CB . 18429 1 430 . 1 1 33 33 LYS CG C 13 25.217 0.400 . 1 . . . A 33 LYS CG . 18429 1 431 . 1 1 33 33 LYS CD C 13 28.908 0.400 . 1 . . . A 33 LYS CD . 18429 1 432 . 1 1 33 33 LYS CE C 13 41.927 0.400 . 1 . . . A 33 LYS CE . 18429 1 433 . 1 1 33 33 LYS N N 15 119.737 0.400 . 1 . . . A 33 LYS N . 18429 1 434 . 1 1 34 34 LEU H H 1 7.790 0.030 . 1 . . . A 34 LEU H . 18429 1 435 . 1 1 34 34 LEU HA H 1 4.232 0.030 . 1 . . . A 34 LEU HA . 18429 1 436 . 1 1 34 34 LEU HB2 H 1 1.691 0.030 . 1 . . . A 34 LEU HB2 . 18429 1 437 . 1 1 34 34 LEU HB3 H 1 1.691 0.030 . 1 . . . A 34 LEU HB3 . 18429 1 438 . 1 1 34 34 LEU HG H 1 1.621 0.030 . 1 . . . A 34 LEU HG . 18429 1 439 . 1 1 34 34 LEU HD11 H 1 0.837 0.030 . 2 . . . A 34 LEU HD11 . 18429 1 440 . 1 1 34 34 LEU HD12 H 1 0.837 0.030 . 2 . . . A 34 LEU HD12 . 18429 1 441 . 1 1 34 34 LEU HD13 H 1 0.837 0.030 . 2 . . . A 34 LEU HD13 . 18429 1 442 . 1 1 34 34 LEU HD21 H 1 0.636 0.030 . 2 . . . A 34 LEU HD21 . 18429 1 443 . 1 1 34 34 LEU HD22 H 1 0.636 0.030 . 2 . . . A 34 LEU HD22 . 18429 1 444 . 1 1 34 34 LEU HD23 H 1 0.636 0.030 . 2 . . . A 34 LEU HD23 . 18429 1 445 . 1 1 34 34 LEU C C 13 178.629 0.400 . 1 . . . A 34 LEU C . 18429 1 446 . 1 1 34 34 LEU CA C 13 57.507 0.400 . 1 . . . A 34 LEU CA . 18429 1 447 . 1 1 34 34 LEU CB C 13 41.797 0.400 . 1 . . . A 34 LEU CB . 18429 1 448 . 1 1 34 34 LEU CG C 13 26.846 0.400 . 1 . . . A 34 LEU CG . 18429 1 449 . 1 1 34 34 LEU CD1 C 13 24.351 0.400 . 1 . . . A 34 LEU CD1 . 18429 1 450 . 1 1 34 34 LEU CD2 C 13 24.747 0.400 . 1 . . . A 34 LEU CD2 . 18429 1 451 . 1 1 34 34 LEU N N 15 120.133 0.400 . 1 . . . A 34 LEU N . 18429 1 452 . 1 1 35 35 ALA H H 1 8.634 0.030 . 1 . . . A 35 ALA H . 18429 1 453 . 1 1 35 35 ALA HA H 1 3.768 0.030 . 1 . . . A 35 ALA HA . 18429 1 454 . 1 1 35 35 ALA HB1 H 1 1.429 0.030 . 1 . . . A 35 ALA HB1 . 18429 1 455 . 1 1 35 35 ALA HB2 H 1 1.429 0.030 . 1 . . . A 35 ALA HB2 . 18429 1 456 . 1 1 35 35 ALA HB3 H 1 1.429 0.030 . 1 . . . A 35 ALA HB3 . 18429 1 457 . 1 1 35 35 ALA C C 13 179.297 0.400 . 1 . . . A 35 ALA C . 18429 1 458 . 1 1 35 35 ALA CA C 13 55.023 0.400 . 1 . . . A 35 ALA CA . 18429 1 459 . 1 1 35 35 ALA CB C 13 18.191 0.400 . 1 . . . A 35 ALA CB . 18429 1 460 . 1 1 35 35 ALA N N 15 119.492 0.400 . 1 . . . A 35 ALA N . 18429 1 461 . 1 1 36 36 LYS H H 1 7.704 0.030 . 1 . . . A 36 LYS H . 18429 1 462 . 1 1 36 36 LYS HA H 1 3.931 0.030 . 1 . . . A 36 LYS HA . 18429 1 463 . 1 1 36 36 LYS HB2 H 1 2.031 0.030 . 2 . . . A 36 LYS HB2 . 18429 1 464 . 1 1 36 36 LYS HB3 H 1 1.926 0.030 . 2 . . . A 36 LYS HB3 . 18429 1 465 . 1 1 36 36 LYS HG2 H 1 1.562 0.030 . 2 . . . A 36 LYS HG2 . 18429 1 466 . 1 1 36 36 LYS HG3 H 1 1.477 0.030 . 2 . . . A 36 LYS HG3 . 18429 1 467 . 1 1 36 36 LYS HD2 H 1 1.680 0.030 . 1 . . . A 36 LYS HD2 . 18429 1 468 . 1 1 36 36 LYS HD3 H 1 1.680 0.030 . 1 . . . A 36 LYS HD3 . 18429 1 469 . 1 1 36 36 LYS HE2 H 1 2.995 0.030 . 1 . . . A 36 LYS HE2 . 18429 1 470 . 1 1 36 36 LYS HE3 H 1 2.995 0.030 . 1 . . . A 36 LYS HE3 . 18429 1 471 . 1 1 36 36 LYS C C 13 178.223 0.400 . 1 . . . A 36 LYS C . 18429 1 472 . 1 1 36 36 LYS CA C 13 59.195 0.400 . 1 . . . A 36 LYS CA . 18429 1 473 . 1 1 36 36 LYS CB C 13 32.055 0.400 . 1 . . . A 36 LYS CB . 18429 1 474 . 1 1 36 36 LYS CG C 13 24.991 0.400 . 1 . . . A 36 LYS CG . 18429 1 475 . 1 1 36 36 LYS CD C 13 28.943 0.400 . 1 . . . A 36 LYS CD . 18429 1 476 . 1 1 36 36 LYS CE C 13 42.008 0.400 . 1 . . . A 36 LYS CE . 18429 1 477 . 1 1 36 36 LYS N N 15 118.470 0.400 . 1 . . . A 36 LYS N . 18429 1 478 . 1 1 37 37 ASP H H 1 8.203 0.030 . 1 . . . A 37 ASP H . 18429 1 479 . 1 1 37 37 ASP HA H 1 4.403 0.030 . 1 . . . A 37 ASP HA . 18429 1 480 . 1 1 37 37 ASP HB2 H 1 2.944 0.030 . 2 . . . A 37 ASP HB2 . 18429 1 481 . 1 1 37 37 ASP HB3 H 1 2.704 0.030 . 2 . . . A 37 ASP HB3 . 18429 1 482 . 1 1 37 37 ASP C C 13 179.334 0.400 . 1 . . . A 37 ASP C . 18429 1 483 . 1 1 37 37 ASP CA C 13 57.181 0.400 . 1 . . . A 37 ASP CA . 18429 1 484 . 1 1 37 37 ASP CB C 13 39.977 0.400 . 1 . . . A 37 ASP CB . 18429 1 485 . 1 1 37 37 ASP N N 15 120.075 0.400 . 1 . . . A 37 ASP N . 18429 1 486 . 1 1 38 38 VAL H H 1 8.215 0.030 . 1 . . . A 38 VAL H . 18429 1 487 . 1 1 38 38 VAL HA H 1 3.623 0.030 . 1 . . . A 38 VAL HA . 18429 1 488 . 1 1 38 38 VAL HB H 1 2.180 0.030 . 1 . . . A 38 VAL HB . 18429 1 489 . 1 1 38 38 VAL HG11 H 1 0.901 0.030 . 2 . . . A 38 VAL HG11 . 18429 1 490 . 1 1 38 38 VAL HG12 H 1 0.901 0.030 . 2 . . . A 38 VAL HG12 . 18429 1 491 . 1 1 38 38 VAL HG13 H 1 0.901 0.030 . 2 . . . A 38 VAL HG13 . 18429 1 492 . 1 1 38 38 VAL HG21 H 1 0.758 0.030 . 2 . . . A 38 VAL HG21 . 18429 1 493 . 1 1 38 38 VAL HG22 H 1 0.758 0.030 . 2 . . . A 38 VAL HG22 . 18429 1 494 . 1 1 38 38 VAL HG23 H 1 0.758 0.030 . 2 . . . A 38 VAL HG23 . 18429 1 495 . 1 1 38 38 VAL C C 13 177.017 0.400 . 1 . . . A 38 VAL C . 18429 1 496 . 1 1 38 38 VAL CA C 13 65.668 0.400 . 1 . . . A 38 VAL CA . 18429 1 497 . 1 1 38 38 VAL CB C 13 31.237 0.400 . 1 . . . A 38 VAL CB . 18429 1 498 . 1 1 38 38 VAL CG1 C 13 22.329 0.400 . 1 . . . A 38 VAL CG1 . 18429 1 499 . 1 1 38 38 VAL CG2 C 13 21.968 0.400 . 1 . . . A 38 VAL CG2 . 18429 1 500 . 1 1 38 38 VAL N N 15 118.202 0.400 . 1 . . . A 38 VAL N . 18429 1 501 . 1 1 39 39 LYS H H 1 7.780 0.030 . 1 . . . A 39 LYS H . 18429 1 502 . 1 1 39 39 LYS HA H 1 3.810 0.030 . 1 . . . A 39 LYS HA . 18429 1 503 . 1 1 39 39 LYS HB2 H 1 1.893 0.030 . 1 . . . A 39 LYS HB2 . 18429 1 504 . 1 1 39 39 LYS HB3 H 1 1.893 0.030 . 1 . . . A 39 LYS HB3 . 18429 1 505 . 1 1 39 39 LYS HG2 H 1 1.307 0.030 . 2 . . . A 39 LYS HG2 . 18429 1 506 . 1 1 39 39 LYS HG3 H 1 1.556 0.030 . 2 . . . A 39 LYS HG3 . 18429 1 507 . 1 1 39 39 LYS HD2 H 1 1.686 0.030 . 1 . . . A 39 LYS HD2 . 18429 1 508 . 1 1 39 39 LYS HD3 H 1 1.686 0.030 . 1 . . . A 39 LYS HD3 . 18429 1 509 . 1 1 39 39 LYS HE2 H 1 2.834 0.030 . 1 . . . A 39 LYS HE2 . 18429 1 510 . 1 1 39 39 LYS HE3 H 1 2.834 0.030 . 1 . . . A 39 LYS HE3 . 18429 1 511 . 1 1 39 39 LYS C C 13 178.575 0.400 . 1 . . . A 39 LYS C . 18429 1 512 . 1 1 39 39 LYS CA C 13 59.713 0.400 . 1 . . . A 39 LYS CA . 18429 1 513 . 1 1 39 39 LYS CB C 13 32.091 0.400 . 1 . . . A 39 LYS CB . 18429 1 514 . 1 1 39 39 LYS CG C 13 25.550 0.400 . 1 . . . A 39 LYS CG . 18429 1 515 . 1 1 39 39 LYS CD C 13 29.171 0.400 . 1 . . . A 39 LYS CD . 18429 1 516 . 1 1 39 39 LYS CE C 13 41.797 0.400 . 1 . . . A 39 LYS CE . 18429 1 517 . 1 1 39 39 LYS N N 15 119.236 0.400 . 1 . . . A 39 LYS N . 18429 1 518 . 1 1 40 40 ASP H H 1 8.273 0.030 . 1 . . . A 40 ASP H . 18429 1 519 . 1 1 40 40 ASP HA H 1 4.452 0.030 . 1 . . . A 40 ASP HA . 18429 1 520 . 1 1 40 40 ASP HB2 H 1 2.721 0.030 . 1 . . . A 40 ASP HB2 . 18429 1 521 . 1 1 40 40 ASP HB3 H 1 2.721 0.030 . 1 . . . A 40 ASP HB3 . 18429 1 522 . 1 1 40 40 ASP C C 13 178.137 0.400 . 1 . . . A 40 ASP C . 18429 1 523 . 1 1 40 40 ASP CA C 13 56.423 0.400 . 1 . . . A 40 ASP CA . 18429 1 524 . 1 1 40 40 ASP CB C 13 40.410 0.400 . 1 . . . A 40 ASP CB . 18429 1 525 . 1 1 40 40 ASP N N 15 118.227 0.400 . 1 . . . A 40 ASP N . 18429 1 526 . 1 1 41 41 GLU H H 1 7.875 0.030 . 1 . . . A 41 GLU H . 18429 1 527 . 1 1 41 41 GLU HA H 1 4.231 0.030 . 1 . . . A 41 GLU HA . 18429 1 528 . 1 1 41 41 GLU HB2 H 1 2.090 0.030 . 2 . . . A 41 GLU HB2 . 18429 1 529 . 1 1 41 41 GLU HB3 H 1 2.190 0.030 . 2 . . . A 41 GLU HB3 . 18429 1 530 . 1 1 41 41 GLU HG2 H 1 2.312 0.030 . 1 . . . A 41 GLU HG2 . 18429 1 531 . 1 1 41 41 GLU HG3 H 1 2.312 0.030 . 1 . . . A 41 GLU HG3 . 18429 1 532 . 1 1 41 41 GLU C C 13 177.849 0.400 . 1 . . . A 41 GLU C . 18429 1 533 . 1 1 41 41 GLU CA C 13 57.385 0.400 . 1 . . . A 41 GLU CA . 18429 1 534 . 1 1 41 41 GLU CB C 13 29.731 0.400 . 1 . . . A 41 GLU CB . 18429 1 535 . 1 1 41 41 GLU CG C 13 36.122 0.400 . 1 . . . A 41 GLU CG . 18429 1 536 . 1 1 41 41 GLU N N 15 119.896 0.400 . 1 . . . A 41 GLU N . 18429 1 537 . 1 1 42 42 LEU H H 1 7.952 0.030 . 1 . . . A 42 LEU H . 18429 1 538 . 1 1 42 42 LEU HA H 1 4.124 0.030 . 1 . . . A 42 LEU HA . 18429 1 539 . 1 1 42 42 LEU HB2 H 1 1.849 0.030 . 2 . . . A 42 LEU HB2 . 18429 1 540 . 1 1 42 42 LEU HB3 H 1 1.540 0.030 . 2 . . . A 42 LEU HB3 . 18429 1 541 . 1 1 42 42 LEU HG H 1 1.808 0.030 . 1 . . . A 42 LEU HG . 18429 1 542 . 1 1 42 42 LEU HD11 H 1 0.840 0.030 . 2 . . . A 42 LEU HD11 . 18429 1 543 . 1 1 42 42 LEU HD12 H 1 0.840 0.030 . 2 . . . A 42 LEU HD12 . 18429 1 544 . 1 1 42 42 LEU HD13 H 1 0.840 0.030 . 2 . . . A 42 LEU HD13 . 18429 1 545 . 1 1 42 42 LEU HD21 H 1 0.815 0.030 . 2 . . . A 42 LEU HD21 . 18429 1 546 . 1 1 42 42 LEU HD22 H 1 0.815 0.030 . 2 . . . A 42 LEU HD22 . 18429 1 547 . 1 1 42 42 LEU HD23 H 1 0.815 0.030 . 2 . . . A 42 LEU HD23 . 18429 1 548 . 1 1 42 42 LEU C C 13 178.276 0.400 . 1 . . . A 42 LEU C . 18429 1 549 . 1 1 42 42 LEU CA C 13 56.713 0.400 . 1 . . . A 42 LEU CA . 18429 1 550 . 1 1 42 42 LEU CB C 13 42.148 0.400 . 1 . . . A 42 LEU CB . 18429 1 551 . 1 1 42 42 LEU CG C 13 26.779 0.400 . 1 . . . A 42 LEU CG . 18429 1 552 . 1 1 42 42 LEU CD1 C 13 25.441 0.400 . 1 . . . A 42 LEU CD1 . 18429 1 553 . 1 1 42 42 LEU CD2 C 13 23.855 0.400 . 1 . . . A 42 LEU CD2 . 18429 1 554 . 1 1 42 42 LEU N N 15 119.906 0.400 . 1 . . . A 42 LEU N . 18429 1 555 . 1 1 43 43 GLU H H 1 8.020 0.030 . 1 . . . A 43 GLU H . 18429 1 556 . 1 1 43 43 GLU HA H 1 4.135 0.030 . 1 . . . A 43 GLU HA . 18429 1 557 . 1 1 43 43 GLU HB2 H 1 2.096 0.030 . 1 . . . A 43 GLU HB2 . 18429 1 558 . 1 1 43 43 GLU HB3 H 1 2.096 0.030 . 1 . . . A 43 GLU HB3 . 18429 1 559 . 1 1 43 43 GLU HG2 H 1 2.260 0.030 . 1 . . . A 43 GLU HG2 . 18429 1 560 . 1 1 43 43 GLU HG3 H 1 2.260 0.030 . 1 . . . A 43 GLU HG3 . 18429 1 561 . 1 1 43 43 GLU C C 13 177.582 0.400 . 1 . . . A 43 GLU C . 18429 1 562 . 1 1 43 43 GLU CA C 13 58.804 0.400 . 1 . . . A 43 GLU CA . 18429 1 563 . 1 1 43 43 GLU CB C 13 29.571 0.400 . 1 . . . A 43 GLU CB . 18429 1 564 . 1 1 43 43 GLU CG C 13 36.297 0.400 . 1 . . . A 43 GLU CG . 18429 1 565 . 1 1 43 43 GLU N N 15 117.735 0.400 . 1 . . . A 43 GLU N . 18429 1 566 . 1 1 44 44 GLU H H 1 8.128 0.030 . 1 . . . A 44 GLU H . 18429 1 567 . 1 1 44 44 GLU HA H 1 4.416 0.030 . 1 . . . A 44 GLU HA . 18429 1 568 . 1 1 44 44 GLU HB2 H 1 1.931 0.030 . 2 . . . A 44 GLU HB2 . 18429 1 569 . 1 1 44 44 GLU HB3 H 1 2.152 0.030 . 2 . . . A 44 GLU HB3 . 18429 1 570 . 1 1 44 44 GLU HG2 H 1 2.249 0.030 . 2 . . . A 44 GLU HG2 . 18429 1 571 . 1 1 44 44 GLU HG3 H 1 2.214 0.030 . 2 . . . A 44 GLU HG3 . 18429 1 572 . 1 1 44 44 GLU C C 13 177.133 0.400 . 1 . . . A 44 GLU C . 18429 1 573 . 1 1 44 44 GLU CA C 13 56.448 0.400 . 1 . . . A 44 GLU CA . 18429 1 574 . 1 1 44 44 GLU CB C 13 31.114 0.400 . 1 . . . A 44 GLU CB . 18429 1 575 . 1 1 44 44 GLU CG C 13 36.145 0.400 . 1 . . . A 44 GLU CG . 18429 1 576 . 1 1 44 44 GLU N N 15 116.308 0.400 . 1 . . . A 44 GLU N . 18429 1 577 . 1 1 45 45 GLY H H 1 8.156 0.030 . 1 . . . A 45 GLY H . 18429 1 578 . 1 1 45 45 GLY HA2 H 1 3.990 0.030 . 2 . . . A 45 GLY HA2 . 18429 1 579 . 1 1 45 45 GLY HA3 H 1 4.157 0.030 . 2 . . . A 45 GLY HA3 . 18429 1 580 . 1 1 45 45 GLY C C 13 173.685 0.400 . 1 . . . A 45 GLY C . 18429 1 581 . 1 1 45 45 GLY CA C 13 45.374 0.400 . 1 . . . A 45 GLY CA . 18429 1 582 . 1 1 45 45 GLY N N 15 109.450 0.400 . 1 . . . A 45 GLY N . 18429 1 583 . 1 1 46 46 ASP H H 1 8.467 0.030 . 1 . . . A 46 ASP H . 18429 1 584 . 1 1 46 46 ASP HA H 1 4.688 0.030 . 1 . . . A 46 ASP HA . 18429 1 585 . 1 1 46 46 ASP HB2 H 1 2.624 0.030 . 2 . . . A 46 ASP HB2 . 18429 1 586 . 1 1 46 46 ASP HB3 H 1 2.803 0.030 . 2 . . . A 46 ASP HB3 . 18429 1 587 . 1 1 46 46 ASP C C 13 176.375 0.400 . 1 . . . A 46 ASP C . 18429 1 588 . 1 1 46 46 ASP CA C 13 53.625 0.400 . 1 . . . A 46 ASP CA . 18429 1 589 . 1 1 46 46 ASP CB C 13 41.207 0.400 . 1 . . . A 46 ASP CB . 18429 1 590 . 1 1 46 46 ASP N N 15 120.995 0.400 . 1 . . . A 46 ASP N . 18429 1 591 . 1 1 47 47 ALA H H 1 8.483 0.030 . 1 . . . A 47 ALA H . 18429 1 592 . 1 1 47 47 ALA HA H 1 4.123 0.030 . 1 . . . A 47 ALA HA . 18429 1 593 . 1 1 47 47 ALA HB1 H 1 1.386 0.030 . 1 . . . A 47 ALA HB1 . 18429 1 594 . 1 1 47 47 ALA HB2 H 1 1.386 0.030 . 1 . . . A 47 ALA HB2 . 18429 1 595 . 1 1 47 47 ALA HB3 H 1 1.386 0.030 . 1 . . . A 47 ALA HB3 . 18429 1 596 . 1 1 47 47 ALA C C 13 178.084 0.400 . 1 . . . A 47 ALA C . 18429 1 597 . 1 1 47 47 ALA CA C 13 53.941 0.400 . 1 . . . A 47 ALA CA . 18429 1 598 . 1 1 47 47 ALA CB C 13 18.984 0.400 . 1 . . . A 47 ALA CB . 18429 1 599 . 1 1 47 47 ALA N N 15 124.626 0.400 . 1 . . . A 47 ALA N . 18429 1 600 . 1 1 48 48 LYS H H 1 8.349 0.030 . 1 . . . A 48 LYS H . 18429 1 601 . 1 1 48 48 LYS HA H 1 3.801 0.030 . 1 . . . A 48 LYS HA . 18429 1 602 . 1 1 48 48 LYS HB2 H 1 1.846 0.030 . 2 . . . A 48 LYS HB2 . 18429 1 603 . 1 1 48 48 LYS HB3 H 1 1.802 0.030 . 2 . . . A 48 LYS HB3 . 18429 1 604 . 1 1 48 48 LYS HG2 H 1 1.651 0.030 . 2 . . . A 48 LYS HG2 . 18429 1 605 . 1 1 48 48 LYS HG3 H 1 1.348 0.030 . 2 . . . A 48 LYS HG3 . 18429 1 606 . 1 1 48 48 LYS HD2 H 1 1.685 0.030 . 1 . . . A 48 LYS HD2 . 18429 1 607 . 1 1 48 48 LYS HD3 H 1 1.685 0.030 . 1 . . . A 48 LYS HD3 . 18429 1 608 . 1 1 48 48 LYS HE2 H 1 2.965 0.030 . 1 . . . A 48 LYS HE2 . 18429 1 609 . 1 1 48 48 LYS HE3 H 1 2.965 0.030 . 1 . . . A 48 LYS HE3 . 18429 1 610 . 1 1 48 48 LYS C C 13 177.582 0.400 . 1 . . . A 48 LYS C . 18429 1 611 . 1 1 48 48 LYS CA C 13 60.112 0.400 . 1 . . . A 48 LYS CA . 18429 1 612 . 1 1 48 48 LYS CB C 13 32.160 0.400 . 1 . . . A 48 LYS CB . 18429 1 613 . 1 1 48 48 LYS CG C 13 24.737 0.400 . 1 . . . A 48 LYS CG . 18429 1 614 . 1 1 48 48 LYS CD C 13 28.945 0.400 . 1 . . . A 48 LYS CD . 18429 1 615 . 1 1 48 48 LYS CE C 13 41.968 0.400 . 1 . . . A 48 LYS CE . 18429 1 616 . 1 1 48 48 LYS N N 15 118.214 0.400 . 1 . . . A 48 LYS N . 18429 1 617 . 1 1 49 49 ASN H H 1 8.184 0.030 . 1 . . . A 49 ASN H . 18429 1 618 . 1 1 49 49 ASN HA H 1 4.508 0.030 . 1 . . . A 49 ASN HA . 18429 1 619 . 1 1 49 49 ASN HB2 H 1 2.833 0.030 . 2 . . . A 49 ASN HB2 . 18429 1 620 . 1 1 49 49 ASN HB3 H 1 2.770 0.030 . 2 . . . A 49 ASN HB3 . 18429 1 621 . 1 1 49 49 ASN HD21 H 1 6.949 0.030 . 2 . . . A 49 ASN HD21 . 18429 1 622 . 1 1 49 49 ASN HD22 H 1 7.866 0.030 . 2 . . . A 49 ASN HD22 . 18429 1 623 . 1 1 49 49 ASN C C 13 177.753 0.400 . 1 . . . A 49 ASN C . 18429 1 624 . 1 1 49 49 ASN CA C 13 55.981 0.400 . 1 . . . A 49 ASN CA . 18429 1 625 . 1 1 49 49 ASN CB C 13 38.365 0.400 . 1 . . . A 49 ASN CB . 18429 1 626 . 1 1 49 49 ASN N N 15 116.387 0.400 . 1 . . . A 49 ASN N . 18429 1 627 . 1 1 49 49 ASN ND2 N 15 112.902 0.400 . 1 . . . A 49 ASN ND2 . 18429 1 628 . 1 1 50 50 MET H H 1 8.189 0.030 . 1 . . . A 50 MET H . 18429 1 629 . 1 1 50 50 MET HA H 1 4.335 0.030 . 1 . . . A 50 MET HA . 18429 1 630 . 1 1 50 50 MET HB2 H 1 2.166 0.030 . 1 . . . A 50 MET HB2 . 18429 1 631 . 1 1 50 50 MET HB3 H 1 2.166 0.030 . 1 . . . A 50 MET HB3 . 18429 1 632 . 1 1 50 50 MET HG2 H 1 2.590 0.030 . 1 . . . A 50 MET HG2 . 18429 1 633 . 1 1 50 50 MET HG3 H 1 2.590 0.030 . 1 . . . A 50 MET HG3 . 18429 1 634 . 1 1 50 50 MET HE1 H 1 2.026 0.030 . 1 . . . A 50 MET HE1 . 18429 1 635 . 1 1 50 50 MET HE2 H 1 2.026 0.030 . 1 . . . A 50 MET HE2 . 18429 1 636 . 1 1 50 50 MET HE3 H 1 2.026 0.030 . 1 . . . A 50 MET HE3 . 18429 1 637 . 1 1 50 50 MET C C 13 178.683 0.400 . 1 . . . A 50 MET C . 18429 1 638 . 1 1 50 50 MET CA C 13 57.203 0.400 . 1 . . . A 50 MET CA . 18429 1 639 . 1 1 50 50 MET CB C 13 32.289 0.400 . 1 . . . A 50 MET CB . 18429 1 640 . 1 1 50 50 MET CG C 13 32.265 0.400 . 1 . . . A 50 MET CG . 18429 1 641 . 1 1 50 50 MET CE C 13 17.508 0.400 . 1 . . . A 50 MET CE . 18429 1 642 . 1 1 50 50 MET N N 15 118.627 0.400 . 1 . . . A 50 MET N . 18429 1 643 . 1 1 51 51 ILE H H 1 8.475 0.030 . 1 . . . A 51 ILE H . 18429 1 644 . 1 1 51 51 ILE HA H 1 3.693 0.030 . 1 . . . A 51 ILE HA . 18429 1 645 . 1 1 51 51 ILE HB H 1 1.927 0.030 . 1 . . . A 51 ILE HB . 18429 1 646 . 1 1 51 51 ILE HG12 H 1 0.867 0.030 . 2 . . . A 51 ILE HG12 . 18429 1 647 . 1 1 51 51 ILE HG13 H 1 1.903 0.030 . 2 . . . A 51 ILE HG13 . 18429 1 648 . 1 1 51 51 ILE HG21 H 1 0.906 0.030 . 1 . . . A 51 ILE HG21 . 18429 1 649 . 1 1 51 51 ILE HG22 H 1 0.906 0.030 . 1 . . . A 51 ILE HG22 . 18429 1 650 . 1 1 51 51 ILE HG23 H 1 0.906 0.030 . 1 . . . A 51 ILE HG23 . 18429 1 651 . 1 1 51 51 ILE HD11 H 1 0.748 0.030 . 1 . . . A 51 ILE HD11 . 18429 1 652 . 1 1 51 51 ILE HD12 H 1 0.748 0.030 . 1 . . . A 51 ILE HD12 . 18429 1 653 . 1 1 51 51 ILE HD13 H 1 0.748 0.030 . 1 . . . A 51 ILE HD13 . 18429 1 654 . 1 1 51 51 ILE C C 13 177.667 0.400 . 1 . . . A 51 ILE C . 18429 1 655 . 1 1 51 51 ILE CA C 13 65.364 0.400 . 1 . . . A 51 ILE CA . 18429 1 656 . 1 1 51 51 ILE CB C 13 37.284 0.400 . 1 . . . A 51 ILE CB . 18429 1 657 . 1 1 51 51 ILE CG1 C 13 29.728 0.400 . 1 . . . A 51 ILE CG1 . 18429 1 658 . 1 1 51 51 ILE CG2 C 13 18.578 0.400 . 1 . . . A 51 ILE CG2 . 18429 1 659 . 1 1 51 51 ILE CD1 C 13 13.718 0.400 . 1 . . . A 51 ILE CD1 . 18429 1 660 . 1 1 51 51 ILE N N 15 120.778 0.400 . 1 . . . A 51 ILE N . 18429 1 661 . 1 1 52 52 GLU H H 1 8.372 0.030 . 1 . . . A 52 GLU H . 18429 1 662 . 1 1 52 52 GLU HA H 1 3.839 0.030 . 1 . . . A 52 GLU HA . 18429 1 663 . 1 1 52 52 GLU HB2 H 1 2.065 0.030 . 2 . . . A 52 GLU HB2 . 18429 1 664 . 1 1 52 52 GLU HB3 H 1 2.234 0.030 . 2 . . . A 52 GLU HB3 . 18429 1 665 . 1 1 52 52 GLU HG2 H 1 2.492 0.030 . 2 . . . A 52 GLU HG2 . 18429 1 666 . 1 1 52 52 GLU HG3 H 1 2.181 0.030 . 2 . . . A 52 GLU HG3 . 18429 1 667 . 1 1 52 52 GLU C C 13 178.201 0.400 . 1 . . . A 52 GLU C . 18429 1 668 . 1 1 52 52 GLU CA C 13 60.127 0.400 . 1 . . . A 52 GLU CA . 18429 1 669 . 1 1 52 52 GLU CB C 13 29.246 0.400 . 1 . . . A 52 GLU CB . 18429 1 670 . 1 1 52 52 GLU CG C 13 37.414 0.400 . 1 . . . A 52 GLU CG . 18429 1 671 . 1 1 52 52 GLU N N 15 120.715 0.400 . 1 . . . A 52 GLU N . 18429 1 672 . 1 1 53 53 LYS H H 1 7.766 0.030 . 1 . . . A 53 LYS H . 18429 1 673 . 1 1 53 53 LYS HA H 1 4.130 0.030 . 1 . . . A 53 LYS HA . 18429 1 674 . 1 1 53 53 LYS HB2 H 1 1.951 0.030 . 1 . . . A 53 LYS HB2 . 18429 1 675 . 1 1 53 53 LYS HB3 H 1 1.951 0.030 . 1 . . . A 53 LYS HB3 . 18429 1 676 . 1 1 53 53 LYS HG2 H 1 1.636 0.030 . 2 . . . A 53 LYS HG2 . 18429 1 677 . 1 1 53 53 LYS HG3 H 1 1.474 0.030 . 2 . . . A 53 LYS HG3 . 18429 1 678 . 1 1 53 53 LYS HD2 H 1 1.678 0.030 . 1 . . . A 53 LYS HD2 . 18429 1 679 . 1 1 53 53 LYS HD3 H 1 1.678 0.030 . 1 . . . A 53 LYS HD3 . 18429 1 680 . 1 1 53 53 LYS HE2 H 1 2.967 0.030 . 1 . . . A 53 LYS HE2 . 18429 1 681 . 1 1 53 53 LYS HE3 H 1 2.967 0.030 . 1 . . . A 53 LYS HE3 . 18429 1 682 . 1 1 53 53 LYS C C 13 179.163 0.400 . 1 . . . A 53 LYS C . 18429 1 683 . 1 1 53 53 LYS CA C 13 59.087 0.400 . 1 . . . A 53 LYS CA . 18429 1 684 . 1 1 53 53 LYS CB C 13 32.150 0.400 . 1 . . . A 53 LYS CB . 18429 1 685 . 1 1 53 53 LYS CG C 13 25.040 0.400 . 1 . . . A 53 LYS CG . 18429 1 686 . 1 1 53 53 LYS CD C 13 28.912 0.400 . 1 . . . A 53 LYS CD . 18429 1 687 . 1 1 53 53 LYS CE C 13 41.986 0.400 . 1 . . . A 53 LYS CE . 18429 1 688 . 1 1 53 53 LYS N N 15 118.426 0.400 . 1 . . . A 53 LYS N . 18429 1 689 . 1 1 54 54 PHE H H 1 7.990 0.030 . 1 . . . A 54 PHE H . 18429 1 690 . 1 1 54 54 PHE HA H 1 4.102 0.030 . 1 . . . A 54 PHE HA . 18429 1 691 . 1 1 54 54 PHE HB2 H 1 3.063 0.030 . 1 . . . A 54 PHE HB2 . 18429 1 692 . 1 1 54 54 PHE HB3 H 1 3.244 0.030 . 1 . . . A 54 PHE HB3 . 18429 1 693 . 1 1 54 54 PHE HD1 H 1 7.091 0.030 . 1 . . . A 54 PHE HD1 . 18429 1 694 . 1 1 54 54 PHE HD2 H 1 7.091 0.030 . 1 . . . A 54 PHE HD2 . 18429 1 695 . 1 1 54 54 PHE HE1 H 1 7.190 0.030 . 1 . . . A 54 PHE HE1 . 18429 1 696 . 1 1 54 54 PHE HE2 H 1 7.190 0.030 . 1 . . . A 54 PHE HE2 . 18429 1 697 . 1 1 54 54 PHE HZ H 1 7.061 0.030 . 1 . . . A 54 PHE HZ . 18429 1 698 . 1 1 54 54 PHE C C 13 176.920 0.400 . 1 . . . A 54 PHE C . 18429 1 699 . 1 1 54 54 PHE CA C 13 61.537 0.400 . 1 . . . A 54 PHE CA . 18429 1 700 . 1 1 54 54 PHE CB C 13 39.412 0.400 . 1 . . . A 54 PHE CB . 18429 1 701 . 1 1 54 54 PHE CD2 C 13 131.508 0.400 . 1 . . . A 54 PHE CD2 . 18429 1 702 . 1 1 54 54 PHE CE2 C 13 130.892 0.400 . 1 . . . A 54 PHE CE2 . 18429 1 703 . 1 1 54 54 PHE CZ C 13 129.281 0.400 . 1 . . . A 54 PHE CZ . 18429 1 704 . 1 1 54 54 PHE N N 15 120.522 0.400 . 1 . . . A 54 PHE N . 18429 1 705 . 1 1 55 55 ARG H H 1 8.774 0.030 . 1 . . . A 55 ARG H . 18429 1 706 . 1 1 55 55 ARG HA H 1 3.826 0.030 . 1 . . . A 55 ARG HA . 18429 1 707 . 1 1 55 55 ARG HB2 H 1 2.266 0.030 . 1 . . . A 55 ARG HB2 . 18429 1 708 . 1 1 55 55 ARG HB3 H 1 2.266 0.030 . 1 . . . A 55 ARG HB3 . 18429 1 709 . 1 1 55 55 ARG HG2 H 1 1.781 0.030 . 2 . . . A 55 ARG HG2 . 18429 1 710 . 1 1 55 55 ARG HG3 H 1 1.510 0.030 . 2 . . . A 55 ARG HG3 . 18429 1 711 . 1 1 55 55 ARG HD2 H 1 3.151 0.030 . 1 . . . A 55 ARG HD2 . 18429 1 712 . 1 1 55 55 ARG HD3 H 1 3.151 0.030 . 1 . . . A 55 ARG HD3 . 18429 1 713 . 1 1 55 55 ARG C C 13 178.383 0.400 . 1 . . . A 55 ARG C . 18429 1 714 . 1 1 55 55 ARG CA C 13 59.960 0.400 . 1 . . . A 55 ARG CA . 18429 1 715 . 1 1 55 55 ARG CB C 13 32.115 0.400 . 1 . . . A 55 ARG CB . 18429 1 716 . 1 1 55 55 ARG CG C 13 26.061 0.400 . 1 . . . A 55 ARG CG . 18429 1 717 . 1 1 55 55 ARG CD C 13 42.133 0.400 . 1 . . . A 55 ARG CD . 18429 1 718 . 1 1 55 55 ARG N N 15 120.870 0.400 . 1 . . . A 55 ARG N . 18429 1 719 . 1 1 56 56 ASP H H 1 8.491 0.030 . 1 . . . A 56 ASP H . 18429 1 720 . 1 1 56 56 ASP HA H 1 4.327 0.030 . 1 . . . A 56 ASP HA . 18429 1 721 . 1 1 56 56 ASP HB2 H 1 2.907 0.030 . 2 . . . A 56 ASP HB2 . 18429 1 722 . 1 1 56 56 ASP HB3 H 1 2.694 0.030 . 2 . . . A 56 ASP HB3 . 18429 1 723 . 1 1 56 56 ASP C C 13 179.398 0.400 . 1 . . . A 56 ASP C . 18429 1 724 . 1 1 56 56 ASP CA C 13 57.556 0.400 . 1 . . . A 56 ASP CA . 18429 1 725 . 1 1 56 56 ASP CB C 13 39.817 0.400 . 1 . . . A 56 ASP CB . 18429 1 726 . 1 1 56 56 ASP N N 15 119.776 0.400 . 1 . . . A 56 ASP N . 18429 1 727 . 1 1 57 57 GLU H H 1 7.894 0.030 . 1 . . . A 57 GLU H . 18429 1 728 . 1 1 57 57 GLU HA H 1 4.053 0.030 . 1 . . . A 57 GLU HA . 18429 1 729 . 1 1 57 57 GLU HB2 H 1 1.988 0.030 . 1 . . . A 57 GLU HB2 . 18429 1 730 . 1 1 57 57 GLU HB3 H 1 1.890 0.030 . 1 . . . A 57 GLU HB3 . 18429 1 731 . 1 1 57 57 GLU HG2 H 1 2.219 0.030 . 1 . . . A 57 GLU HG2 . 18429 1 732 . 1 1 57 57 GLU HG3 H 1 2.219 0.030 . 1 . . . A 57 GLU HG3 . 18429 1 733 . 1 1 57 57 GLU C C 13 179.708 0.400 . 1 . . . A 57 GLU C . 18429 1 734 . 1 1 57 57 GLU CA C 13 58.894 0.400 . 1 . . . A 57 GLU CA . 18429 1 735 . 1 1 57 57 GLU CB C 13 29.376 0.400 . 1 . . . A 57 GLU CB . 18429 1 736 . 1 1 57 57 GLU CG C 13 35.534 0.400 . 1 . . . A 57 GLU CG . 18429 1 737 . 1 1 57 57 GLU N N 15 120.418 0.400 . 1 . . . A 57 GLU N . 18429 1 738 . 1 1 58 58 MET H H 1 8.352 0.030 . 1 . . . A 58 MET H . 18429 1 739 . 1 1 58 58 MET HA H 1 4.090 0.030 . 1 . . . A 58 MET HA . 18429 1 740 . 1 1 58 58 MET HB2 H 1 2.169 0.030 . 1 . . . A 58 MET HB2 . 18429 1 741 . 1 1 58 58 MET HB3 H 1 2.169 0.030 . 1 . . . A 58 MET HB3 . 18429 1 742 . 1 1 58 58 MET HG2 H 1 2.077 0.030 . 1 . . . A 58 MET HG2 . 18429 1 743 . 1 1 58 58 MET HG3 H 1 2.077 0.030 . 1 . . . A 58 MET HG3 . 18429 1 744 . 1 1 58 58 MET HE1 H 1 2.124 0.030 . 1 . . . A 58 MET HE1 . 18429 1 745 . 1 1 58 58 MET HE2 H 1 2.124 0.030 . 1 . . . A 58 MET HE2 . 18429 1 746 . 1 1 58 58 MET HE3 H 1 2.124 0.030 . 1 . . . A 58 MET HE3 . 18429 1 747 . 1 1 58 58 MET C C 13 178.137 0.400 . 1 . . . A 58 MET C . 18429 1 748 . 1 1 58 58 MET CA C 13 58.568 0.400 . 1 . . . A 58 MET CA . 18429 1 749 . 1 1 58 58 MET CB C 13 31.846 0.400 . 1 . . . A 58 MET CB . 18429 1 750 . 1 1 58 58 MET CG C 13 32.197 0.400 . 1 . . . A 58 MET CG . 18429 1 751 . 1 1 58 58 MET CE C 13 17.432 0.400 . 1 . . . A 58 MET CE . 18429 1 752 . 1 1 58 58 MET N N 15 119.674 0.400 . 1 . . . A 58 MET N . 18429 1 753 . 1 1 59 59 GLU H H 1 8.717 0.030 . 1 . . . A 59 GLU H . 18429 1 754 . 1 1 59 59 GLU HA H 1 3.950 0.030 . 1 . . . A 59 GLU HA . 18429 1 755 . 1 1 59 59 GLU HB2 H 1 2.169 0.030 . 1 . . . A 59 GLU HB2 . 18429 1 756 . 1 1 59 59 GLU HB3 H 1 2.169 0.030 . 1 . . . A 59 GLU HB3 . 18429 1 757 . 1 1 59 59 GLU HG2 H 1 2.192 0.030 . 2 . . . A 59 GLU HG2 . 18429 1 758 . 1 1 59 59 GLU HG3 H 1 2.409 0.030 . 2 . . . A 59 GLU HG3 . 18429 1 759 . 1 1 59 59 GLU C C 13 178.939 0.400 . 1 . . . A 59 GLU C . 18429 1 760 . 1 1 59 59 GLU CA C 13 59.744 0.400 . 1 . . . A 59 GLU CA . 18429 1 761 . 1 1 59 59 GLU CB C 13 29.177 0.400 . 1 . . . A 59 GLU CB . 18429 1 762 . 1 1 59 59 GLU CG C 13 36.912 0.400 . 1 . . . A 59 GLU CG . 18429 1 763 . 1 1 59 59 GLU N N 15 119.770 0.400 . 1 . . . A 59 GLU N . 18429 1 764 . 1 1 60 60 GLN H H 1 7.613 0.030 . 1 . . . A 60 GLN H . 18429 1 765 . 1 1 60 60 GLN HA H 1 3.971 0.030 . 1 . . . A 60 GLN HA . 18429 1 766 . 1 1 60 60 GLN HB2 H 1 2.171 0.030 . 1 . . . A 60 GLN HB2 . 18429 1 767 . 1 1 60 60 GLN HB3 H 1 2.171 0.030 . 1 . . . A 60 GLN HB3 . 18429 1 768 . 1 1 60 60 GLN HG2 H 1 2.428 0.030 . 1 . . . A 60 GLN HG2 . 18429 1 769 . 1 1 60 60 GLN HG3 H 1 2.428 0.030 . 1 . . . A 60 GLN HG3 . 18429 1 770 . 1 1 60 60 GLN HE21 H 1 6.833 0.030 . 2 . . . A 60 GLN HE21 . 18429 1 771 . 1 1 60 60 GLN HE22 H 1 7.621 0.030 . 2 . . . A 60 GLN HE22 . 18429 1 772 . 1 1 60 60 GLN C C 13 178.052 0.400 . 1 . . . A 60 GLN C . 18429 1 773 . 1 1 60 60 GLN CA C 13 58.254 0.400 . 1 . . . A 60 GLN CA . 18429 1 774 . 1 1 60 60 GLN CB C 13 28.118 0.400 . 1 . . . A 60 GLN CB . 18429 1 775 . 1 1 60 60 GLN CG C 13 33.463 0.400 . 1 . . . A 60 GLN CG . 18429 1 776 . 1 1 60 60 GLN N N 15 117.895 0.400 . 1 . . . A 60 GLN N . 18429 1 777 . 1 1 60 60 GLN NE2 N 15 114.568 0.400 . 1 . . . A 60 GLN NE2 . 18429 1 778 . 1 1 61 61 MET H H 1 7.943 0.030 . 1 . . . A 61 MET H . 18429 1 779 . 1 1 61 61 MET HA H 1 4.080 0.030 . 1 . . . A 61 MET HA . 18429 1 780 . 1 1 61 61 MET HB2 H 1 2.404 0.030 . 1 . . . A 61 MET HB2 . 18429 1 781 . 1 1 61 61 MET HB3 H 1 2.404 0.030 . 1 . . . A 61 MET HB3 . 18429 1 782 . 1 1 61 61 MET HG2 H 1 2.665 0.030 . 1 . . . A 61 MET HG2 . 18429 1 783 . 1 1 61 61 MET HG3 H 1 2.665 0.030 . 1 . . . A 61 MET HG3 . 18429 1 784 . 1 1 61 61 MET HE1 H 1 1.861 0.030 . 1 . . . A 61 MET HE1 . 18429 1 785 . 1 1 61 61 MET HE2 H 1 1.861 0.030 . 1 . . . A 61 MET HE2 . 18429 1 786 . 1 1 61 61 MET HE3 H 1 1.861 0.030 . 1 . . . A 61 MET HE3 . 18429 1 787 . 1 1 61 61 MET C C 13 178.545 0.400 . 1 . . . A 61 MET C . 18429 1 788 . 1 1 61 61 MET CA C 13 58.972 0.400 . 1 . . . A 61 MET CA . 18429 1 789 . 1 1 61 61 MET CB C 13 32.309 0.400 . 1 . . . A 61 MET CB . 18429 1 790 . 1 1 61 61 MET CG C 13 32.239 0.400 . 1 . . . A 61 MET CG . 18429 1 791 . 1 1 61 61 MET CE C 13 17.384 0.400 . 1 . . . A 61 MET CE . 18429 1 792 . 1 1 61 61 MET N N 15 118.464 0.400 . 1 . . . A 61 MET N . 18429 1 793 . 1 1 62 62 TYR H H 1 8.313 0.030 . 1 . . . A 62 TYR H . 18429 1 794 . 1 1 62 62 TYR HA H 1 4.160 0.030 . 1 . . . A 62 TYR HA . 18429 1 795 . 1 1 62 62 TYR HB2 H 1 2.887 0.030 . 1 . . . A 62 TYR HB2 . 18429 1 796 . 1 1 62 62 TYR HB3 H 1 3.197 0.030 . 1 . . . A 62 TYR HB3 . 18429 1 797 . 1 1 62 62 TYR HD1 H 1 7.085 0.030 . 1 . . . A 62 TYR HD1 . 18429 1 798 . 1 1 62 62 TYR HD2 H 1 7.085 0.030 . 1 . . . A 62 TYR HD2 . 18429 1 799 . 1 1 62 62 TYR HE1 H 1 6.889 0.030 . 1 . . . A 62 TYR HE1 . 18429 1 800 . 1 1 62 62 TYR HE2 H 1 6.889 0.030 . 1 . . . A 62 TYR HE2 . 18429 1 801 . 1 1 62 62 TYR C C 13 176.118 0.400 . 1 . . . A 62 TYR C . 18429 1 802 . 1 1 62 62 TYR CA C 13 60.251 0.400 . 1 . . . A 62 TYR CA . 18429 1 803 . 1 1 62 62 TYR CB C 13 38.389 0.400 . 1 . . . A 62 TYR CB . 18429 1 804 . 1 1 62 62 TYR CD1 C 13 132.650 0.400 . 1 . . . A 62 TYR CD1 . 18429 1 805 . 1 1 62 62 TYR CE1 C 13 118.045 0.400 . 1 . . . A 62 TYR CE1 . 18429 1 806 . 1 1 62 62 TYR N N 15 119.118 0.400 . 1 . . . A 62 TYR N . 18429 1 807 . 1 1 63 63 LYS H H 1 7.806 0.030 . 1 . . . A 63 LYS H . 18429 1 808 . 1 1 63 63 LYS HA H 1 3.796 0.030 . 1 . . . A 63 LYS HA . 18429 1 809 . 1 1 63 63 LYS HB2 H 1 1.842 0.030 . 1 . . . A 63 LYS HB2 . 18429 1 810 . 1 1 63 63 LYS HB3 H 1 1.842 0.030 . 1 . . . A 63 LYS HB3 . 18429 1 811 . 1 1 63 63 LYS HG2 H 1 1.585 0.030 . 2 . . . A 63 LYS HG2 . 18429 1 812 . 1 1 63 63 LYS HG3 H 1 1.460 0.030 . 2 . . . A 63 LYS HG3 . 18429 1 813 . 1 1 63 63 LYS HD2 H 1 1.689 0.030 . 1 . . . A 63 LYS HD2 . 18429 1 814 . 1 1 63 63 LYS HD3 H 1 1.689 0.030 . 1 . . . A 63 LYS HD3 . 18429 1 815 . 1 1 63 63 LYS HE2 H 1 2.955 0.030 . 1 . . . A 63 LYS HE2 . 18429 1 816 . 1 1 63 63 LYS HE3 H 1 2.955 0.030 . 1 . . . A 63 LYS HE3 . 18429 1 817 . 1 1 63 63 LYS C C 13 178.470 0.400 . 1 . . . A 63 LYS C . 18429 1 818 . 1 1 63 63 LYS CA C 13 58.802 0.400 . 1 . . . A 63 LYS CA . 18429 1 819 . 1 1 63 63 LYS CB C 13 32.018 0.400 . 1 . . . A 63 LYS CB . 18429 1 820 . 1 1 63 63 LYS CG C 13 25.090 0.400 . 1 . . . A 63 LYS CG . 18429 1 821 . 1 1 63 63 LYS CD C 13 28.906 0.400 . 1 . . . A 63 LYS CD . 18429 1 822 . 1 1 63 63 LYS CE C 13 42.033 0.400 . 1 . . . A 63 LYS CE . 18429 1 823 . 1 1 63 63 LYS N N 15 117.899 0.400 . 1 . . . A 63 LYS N . 18429 1 824 . 1 1 64 64 ASP H H 1 7.771 0.030 . 1 . . . A 64 ASP H . 18429 1 825 . 1 1 64 64 ASP HA H 1 4.485 0.030 . 1 . . . A 64 ASP HA . 18429 1 826 . 1 1 64 64 ASP HB2 H 1 2.685 0.030 . 2 . . . A 64 ASP HB2 . 18429 1 827 . 1 1 64 64 ASP HB3 H 1 2.623 0.030 . 2 . . . A 64 ASP HB3 . 18429 1 828 . 1 1 64 64 ASP C C 13 176.460 0.400 . 1 . . . A 64 ASP C . 18429 1 829 . 1 1 64 64 ASP CA C 13 55.640 0.400 . 1 . . . A 64 ASP CA . 18429 1 830 . 1 1 64 64 ASP CB C 13 41.196 0.400 . 1 . . . A 64 ASP CB . 18429 1 831 . 1 1 64 64 ASP N N 15 116.931 0.400 . 1 . . . A 64 ASP N . 18429 1 832 . 1 1 65 65 ALA H H 1 7.536 0.030 . 1 . . . A 65 ALA H . 18429 1 833 . 1 1 65 65 ALA HA H 1 4.592 0.030 . 1 . . . A 65 ALA HA . 18429 1 834 . 1 1 65 65 ALA HB1 H 1 1.260 0.030 . 1 . . . A 65 ALA HB1 . 18429 1 835 . 1 1 65 65 ALA HB2 H 1 1.260 0.030 . 1 . . . A 65 ALA HB2 . 18429 1 836 . 1 1 65 65 ALA HB3 H 1 1.260 0.030 . 1 . . . A 65 ALA HB3 . 18429 1 837 . 1 1 65 65 ALA C C 13 180.460 0.400 . 1 . . . A 65 ALA C . 18429 1 838 . 1 1 65 65 ALA CA C 13 50.223 0.400 . 1 . . . A 65 ALA CA . 18429 1 839 . 1 1 65 65 ALA CB C 13 18.275 0.400 . 1 . . . A 65 ALA CB . 18429 1 840 . 1 1 65 65 ALA N N 15 121.417 0.400 . 1 . . . A 65 ALA N . 18429 1 841 . 1 1 66 66 PRO HA H 1 3.972 0.030 . 1 . . . A 66 PRO HA . 18429 1 842 . 1 1 66 66 PRO HB2 H 1 1.670 0.030 . 1 . . . A 66 PRO HB2 . 18429 1 843 . 1 1 66 66 PRO HB3 H 1 1.670 0.030 . 1 . . . A 66 PRO HB3 . 18429 1 844 . 1 1 66 66 PRO HG2 H 1 1.883 0.030 . 2 . . . A 66 PRO HG2 . 18429 1 845 . 1 1 66 66 PRO HG3 H 1 1.794 0.030 . 2 . . . A 66 PRO HG3 . 18429 1 846 . 1 1 66 66 PRO HD2 H 1 3.486 0.030 . 2 . . . A 66 PRO HD2 . 18429 1 847 . 1 1 66 66 PRO HD3 H 1 3.405 0.030 . 2 . . . A 66 PRO HD3 . 18429 1 848 . 1 1 66 66 PRO CA C 13 64.059 0.400 . 1 . . . A 66 PRO CA . 18429 1 849 . 1 1 66 66 PRO CB C 13 31.377 0.400 . 1 . . . A 66 PRO CB . 18429 1 850 . 1 1 66 66 PRO CG C 13 27.108 0.400 . 1 . . . A 66 PRO CG . 18429 1 851 . 1 1 66 66 PRO CD C 13 49.740 0.400 . 1 . . . A 66 PRO CD . 18429 1 852 . 1 1 67 67 ASN HA H 1 4.450 0.030 . 1 . . . A 67 ASN HA . 18429 1 853 . 1 1 67 67 ASN HB2 H 1 2.920 0.030 . 2 . . . A 67 ASN HB2 . 18429 1 854 . 1 1 67 67 ASN HB3 H 1 2.637 0.030 . 2 . . . A 67 ASN HB3 . 18429 1 855 . 1 1 67 67 ASN HD21 H 1 6.999 0.030 . 2 . . . A 67 ASN HD21 . 18429 1 856 . 1 1 67 67 ASN HD22 H 1 7.700 0.030 . 2 . . . A 67 ASN HD22 . 18429 1 857 . 1 1 67 67 ASN CA C 13 56.342 0.400 . 1 . . . A 67 ASN CA . 18429 1 858 . 1 1 67 67 ASN CB C 13 40.583 0.400 . 1 . . . A 67 ASN CB . 18429 1 859 . 1 1 67 67 ASN ND2 N 15 115.088 0.400 . 1 . . . A 67 ASN ND2 . 18429 1 860 . 1 1 68 68 ALA HA H 1 4.287 0.030 . 1 . . . A 68 ALA HA . 18429 1 861 . 1 1 68 68 ALA HB1 H 1 1.511 0.030 . 1 . . . A 68 ALA HB1 . 18429 1 862 . 1 1 68 68 ALA HB2 H 1 1.511 0.030 . 1 . . . A 68 ALA HB2 . 18429 1 863 . 1 1 68 68 ALA HB3 H 1 1.511 0.030 . 1 . . . A 68 ALA HB3 . 18429 1 864 . 1 1 68 68 ALA C C 13 180.039 0.400 . 1 . . . A 68 ALA C . 18429 1 865 . 1 1 68 68 ALA CA C 13 54.958 0.400 . 1 . . . A 68 ALA CA . 18429 1 866 . 1 1 68 68 ALA CB C 13 18.837 0.400 . 1 . . . A 68 ALA CB . 18429 1 867 . 1 1 69 69 VAL H H 1 7.968 0.030 . 1 . . . A 69 VAL H . 18429 1 868 . 1 1 69 69 VAL HA H 1 3.809 0.030 . 1 . . . A 69 VAL HA . 18429 1 869 . 1 1 69 69 VAL HB H 1 2.158 0.030 . 1 . . . A 69 VAL HB . 18429 1 870 . 1 1 69 69 VAL HG11 H 1 1.050 0.030 . 2 . . . A 69 VAL HG11 . 18429 1 871 . 1 1 69 69 VAL HG12 H 1 1.050 0.030 . 2 . . . A 69 VAL HG12 . 18429 1 872 . 1 1 69 69 VAL HG13 H 1 1.050 0.030 . 2 . . . A 69 VAL HG13 . 18429 1 873 . 1 1 69 69 VAL HG21 H 1 0.936 0.030 . 2 . . . A 69 VAL HG21 . 18429 1 874 . 1 1 69 69 VAL HG22 H 1 0.936 0.030 . 2 . . . A 69 VAL HG22 . 18429 1 875 . 1 1 69 69 VAL HG23 H 1 0.936 0.030 . 2 . . . A 69 VAL HG23 . 18429 1 876 . 1 1 69 69 VAL C C 13 178.578 0.400 . 1 . . . A 69 VAL C . 18429 1 877 . 1 1 69 69 VAL CA C 13 65.910 0.400 . 1 . . . A 69 VAL CA . 18429 1 878 . 1 1 69 69 VAL CB C 13 31.321 0.400 . 1 . . . A 69 VAL CB . 18429 1 879 . 1 1 69 69 VAL CG1 C 13 22.317 0.400 . 1 . . . A 69 VAL CG1 . 18429 1 880 . 1 1 69 69 VAL CG2 C 13 20.774 0.400 . 1 . . . A 69 VAL CG2 . 18429 1 881 . 1 1 69 69 VAL N N 15 119.699 0.400 . 1 . . . A 69 VAL N . 18429 1 882 . 1 1 70 70 MET H H 1 8.195 0.030 . 1 . . . A 70 MET H . 18429 1 883 . 1 1 70 70 MET HA H 1 4.411 0.030 . 1 . . . A 70 MET HA . 18429 1 884 . 1 1 70 70 MET HB2 H 1 2.211 0.030 . 2 . . . A 70 MET HB2 . 18429 1 885 . 1 1 70 70 MET HB3 H 1 2.054 0.030 . 2 . . . A 70 MET HB3 . 18429 1 886 . 1 1 70 70 MET HG2 H 1 2.654 0.030 . 1 . . . A 70 MET HG2 . 18429 1 887 . 1 1 70 70 MET HG3 H 1 2.654 0.030 . 1 . . . A 70 MET HG3 . 18429 1 888 . 1 1 70 70 MET HE1 H 1 1.954 0.030 . 1 . . . A 70 MET HE1 . 18429 1 889 . 1 1 70 70 MET HE2 H 1 1.954 0.030 . 1 . . . A 70 MET HE2 . 18429 1 890 . 1 1 70 70 MET HE3 H 1 1.954 0.030 . 1 . . . A 70 MET HE3 . 18429 1 891 . 1 1 70 70 MET C C 13 177.858 0.400 . 1 . . . A 70 MET C . 18429 1 892 . 1 1 70 70 MET CA C 13 56.540 0.400 . 1 . . . A 70 MET CA . 18429 1 893 . 1 1 70 70 MET CB C 13 31.927 0.400 . 1 . . . A 70 MET CB . 18429 1 894 . 1 1 70 70 MET CG C 13 32.690 0.400 . 1 . . . A 70 MET CG . 18429 1 895 . 1 1 70 70 MET CE C 13 16.909 0.400 . 1 . . . A 70 MET CE . 18429 1 896 . 1 1 70 70 MET N N 15 119.158 0.400 . 1 . . . A 70 MET N . 18429 1 897 . 1 1 71 71 GLU H H 1 8.122 0.030 . 1 . . . A 71 GLU H . 18429 1 898 . 1 1 71 71 GLU HA H 1 3.522 0.030 . 1 . . . A 71 GLU HA . 18429 1 899 . 1 1 71 71 GLU HB2 H 1 2.224 0.030 . 2 . . . A 71 GLU HB2 . 18429 1 900 . 1 1 71 71 GLU HB3 H 1 2.155 0.030 . 2 . . . A 71 GLU HB3 . 18429 1 901 . 1 1 71 71 GLU HG2 H 1 2.238 0.030 . 2 . . . A 71 GLU HG2 . 18429 1 902 . 1 1 71 71 GLU HG3 H 1 2.112 0.030 . 2 . . . A 71 GLU HG3 . 18429 1 903 . 1 1 71 71 GLU C C 13 178.949 0.400 . 1 . . . A 71 GLU C . 18429 1 904 . 1 1 71 71 GLU CA C 13 59.801 0.400 . 1 . . . A 71 GLU CA . 18429 1 905 . 1 1 71 71 GLU CB C 13 29.687 0.400 . 1 . . . A 71 GLU CB . 18429 1 906 . 1 1 71 71 GLU CG C 13 36.195 0.400 . 1 . . . A 71 GLU CG . 18429 1 907 . 1 1 71 71 GLU N N 15 119.109 0.400 . 1 . . . A 71 GLU N . 18429 1 908 . 1 1 72 72 GLN H H 1 7.662 0.030 . 1 . . . A 72 GLN H . 18429 1 909 . 1 1 72 72 GLN HA H 1 4.122 0.030 . 1 . . . A 72 GLN HA . 18429 1 910 . 1 1 72 72 GLN HB2 H 1 2.240 0.030 . 1 . . . A 72 GLN HB2 . 18429 1 911 . 1 1 72 72 GLN HB3 H 1 2.240 0.030 . 1 . . . A 72 GLN HB3 . 18429 1 912 . 1 1 72 72 GLN HG2 H 1 2.558 0.030 . 2 . . . A 72 GLN HG2 . 18429 1 913 . 1 1 72 72 GLN HG3 H 1 2.414 0.030 . 2 . . . A 72 GLN HG3 . 18429 1 914 . 1 1 72 72 GLN HE21 H 1 6.806 0.030 . 2 . . . A 72 GLN HE21 . 18429 1 915 . 1 1 72 72 GLN HE22 H 1 7.569 0.030 . 2 . . . A 72 GLN HE22 . 18429 1 916 . 1 1 72 72 GLN C C 13 178.597 0.400 . 1 . . . A 72 GLN C . 18429 1 917 . 1 1 72 72 GLN CA C 13 58.515 0.400 . 1 . . . A 72 GLN CA . 18429 1 918 . 1 1 72 72 GLN CB C 13 28.111 0.400 . 1 . . . A 72 GLN CB . 18429 1 919 . 1 1 72 72 GLN CG C 13 33.803 0.400 . 1 . . . A 72 GLN CG . 18429 1 920 . 1 1 72 72 GLN N N 15 118.471 0.400 . 1 . . . A 72 GLN N . 18429 1 921 . 1 1 72 72 GLN NE2 N 15 111.865 0.400 . 1 . . . A 72 GLN NE2 . 18429 1 922 . 1 1 73 73 LEU H H 1 8.170 0.030 . 1 . . . A 73 LEU H . 18429 1 923 . 1 1 73 73 LEU HA H 1 4.044 0.030 . 1 . . . A 73 LEU HA . 18429 1 924 . 1 1 73 73 LEU HB2 H 1 1.905 0.030 . 2 . . . A 73 LEU HB2 . 18429 1 925 . 1 1 73 73 LEU HB3 H 1 1.508 0.030 . 2 . . . A 73 LEU HB3 . 18429 1 926 . 1 1 73 73 LEU HG H 1 1.813 0.030 . 1 . . . A 73 LEU HG . 18429 1 927 . 1 1 73 73 LEU HD11 H 1 0.889 0.030 . 2 . . . A 73 LEU HD11 . 18429 1 928 . 1 1 73 73 LEU HD12 H 1 0.889 0.030 . 2 . . . A 73 LEU HD12 . 18429 1 929 . 1 1 73 73 LEU HD13 H 1 0.889 0.030 . 2 . . . A 73 LEU HD13 . 18429 1 930 . 1 1 73 73 LEU HD21 H 1 0.920 0.030 . 2 . . . A 73 LEU HD21 . 18429 1 931 . 1 1 73 73 LEU HD22 H 1 0.920 0.030 . 2 . . . A 73 LEU HD22 . 18429 1 932 . 1 1 73 73 LEU HD23 H 1 0.920 0.030 . 2 . . . A 73 LEU HD23 . 18429 1 933 . 1 1 73 73 LEU C C 13 178.992 0.400 . 1 . . . A 73 LEU C . 18429 1 934 . 1 1 73 73 LEU CA C 13 58.047 0.400 . 1 . . . A 73 LEU CA . 18429 1 935 . 1 1 73 73 LEU CB C 13 41.377 0.400 . 1 . . . A 73 LEU CB . 18429 1 936 . 1 1 73 73 LEU CG C 13 26.868 0.400 . 1 . . . A 73 LEU CG . 18429 1 937 . 1 1 73 73 LEU CD1 C 13 25.121 0.400 . 1 . . . A 73 LEU CD1 . 18429 1 938 . 1 1 73 73 LEU CD2 C 13 23.878 0.400 . 1 . . . A 73 LEU CD2 . 18429 1 939 . 1 1 73 73 LEU N N 15 120.880 0.400 . 1 . . . A 73 LEU N . 18429 1 940 . 1 1 74 74 LEU H H 1 8.396 0.030 . 1 . . . A 74 LEU H . 18429 1 941 . 1 1 74 74 LEU HA H 1 3.952 0.030 . 1 . . . A 74 LEU HA . 18429 1 942 . 1 1 74 74 LEU HB2 H 1 1.762 0.030 . 1 . . . A 74 LEU HB2 . 18429 1 943 . 1 1 74 74 LEU HB3 H 1 1.472 0.030 . 1 . . . A 74 LEU HB3 . 18429 1 944 . 1 1 74 74 LEU HG H 1 1.610 0.030 . 1 . . . A 74 LEU HG . 18429 1 945 . 1 1 74 74 LEU HD11 H 1 0.826 0.030 . 2 . . . A 74 LEU HD11 . 18429 1 946 . 1 1 74 74 LEU HD12 H 1 0.826 0.030 . 2 . . . A 74 LEU HD12 . 18429 1 947 . 1 1 74 74 LEU HD13 H 1 0.826 0.030 . 2 . . . A 74 LEU HD13 . 18429 1 948 . 1 1 74 74 LEU HD21 H 1 0.639 0.030 . 2 . . . A 74 LEU HD21 . 18429 1 949 . 1 1 74 74 LEU HD22 H 1 0.639 0.030 . 2 . . . A 74 LEU HD22 . 18429 1 950 . 1 1 74 74 LEU HD23 H 1 0.639 0.030 . 2 . . . A 74 LEU HD23 . 18429 1 951 . 1 1 74 74 LEU C C 13 179.088 0.400 . 1 . . . A 74 LEU C . 18429 1 952 . 1 1 74 74 LEU CA C 13 57.774 0.400 . 1 . . . A 74 LEU CA . 18429 1 953 . 1 1 74 74 LEU CB C 13 41.067 0.400 . 1 . . . A 74 LEU CB . 18429 1 954 . 1 1 74 74 LEU CG C 13 27.396 0.400 . 1 . . . A 74 LEU CG . 18429 1 955 . 1 1 74 74 LEU CD1 C 13 24.004 0.400 . 1 . . . A 74 LEU CD1 . 18429 1 956 . 1 1 74 74 LEU CD2 C 13 24.865 0.400 . 1 . . . A 74 LEU CD2 . 18429 1 957 . 1 1 74 74 LEU N N 15 119.628 0.400 . 1 . . . A 74 LEU N . 18429 1 958 . 1 1 75 75 GLU H H 1 7.622 0.030 . 1 . . . A 75 GLU H . 18429 1 959 . 1 1 75 75 GLU HA H 1 4.045 0.030 . 1 . . . A 75 GLU HA . 18429 1 960 . 1 1 75 75 GLU HB2 H 1 2.227 0.030 . 2 . . . A 75 GLU HB2 . 18429 1 961 . 1 1 75 75 GLU HB3 H 1 2.185 0.030 . 2 . . . A 75 GLU HB3 . 18429 1 962 . 1 1 75 75 GLU HG2 H 1 2.406 0.030 . 2 . . . A 75 GLU HG2 . 18429 1 963 . 1 1 75 75 GLU HG3 H 1 2.188 0.030 . 2 . . . A 75 GLU HG3 . 18429 1 964 . 1 1 75 75 GLU C C 13 179.772 0.400 . 1 . . . A 75 GLU C . 18429 1 965 . 1 1 75 75 GLU CA C 13 59.261 0.400 . 1 . . . A 75 GLU CA . 18429 1 966 . 1 1 75 75 GLU CB C 13 28.867 0.400 . 1 . . . A 75 GLU CB . 18429 1 967 . 1 1 75 75 GLU CG C 13 36.263 0.400 . 1 . . . A 75 GLU CG . 18429 1 968 . 1 1 75 75 GLU N N 15 119.588 0.400 . 1 . . . A 75 GLU N . 18429 1 969 . 1 1 76 76 GLU H H 1 8.127 0.030 . 1 . . . A 76 GLU H . 18429 1 970 . 1 1 76 76 GLU HA H 1 4.089 0.030 . 1 . . . A 76 GLU HA . 18429 1 971 . 1 1 76 76 GLU HB2 H 1 2.207 0.030 . 2 . . . A 76 GLU HB2 . 18429 1 972 . 1 1 76 76 GLU HB3 H 1 2.088 0.030 . 2 . . . A 76 GLU HB3 . 18429 1 973 . 1 1 76 76 GLU HG2 H 1 2.465 0.030 . 2 . . . A 76 GLU HG2 . 18429 1 974 . 1 1 76 76 GLU HG3 H 1 2.380 0.030 . 2 . . . A 76 GLU HG3 . 18429 1 975 . 1 1 76 76 GLU C C 13 180.103 0.400 . 1 . . . A 76 GLU C . 18429 1 976 . 1 1 76 76 GLU CA C 13 59.109 0.400 . 1 . . . A 76 GLU CA . 18429 1 977 . 1 1 76 76 GLU CB C 13 29.365 0.400 . 1 . . . A 76 GLU CB . 18429 1 978 . 1 1 76 76 GLU CG C 13 35.707 0.400 . 1 . . . A 76 GLU CG . 18429 1 979 . 1 1 76 76 GLU N N 15 118.750 0.400 . 1 . . . A 76 GLU N . 18429 1 980 . 1 1 77 77 ILE H H 1 8.715 0.030 . 1 . . . A 77 ILE H . 18429 1 981 . 1 1 77 77 ILE HA H 1 3.824 0.030 . 1 . . . A 77 ILE HA . 18429 1 982 . 1 1 77 77 ILE HB H 1 1.979 0.030 . 1 . . . A 77 ILE HB . 18429 1 983 . 1 1 77 77 ILE HG12 H 1 1.652 0.030 . 2 . . . A 77 ILE HG12 . 18429 1 984 . 1 1 77 77 ILE HG13 H 1 1.264 0.030 . 2 . . . A 77 ILE HG13 . 18429 1 985 . 1 1 77 77 ILE HG21 H 1 1.026 0.030 . 1 . . . A 77 ILE HG21 . 18429 1 986 . 1 1 77 77 ILE HG22 H 1 1.026 0.030 . 1 . . . A 77 ILE HG22 . 18429 1 987 . 1 1 77 77 ILE HG23 H 1 1.026 0.030 . 1 . . . A 77 ILE HG23 . 18429 1 988 . 1 1 77 77 ILE HD11 H 1 0.816 0.030 . 1 . . . A 77 ILE HD11 . 18429 1 989 . 1 1 77 77 ILE HD12 H 1 0.816 0.030 . 1 . . . A 77 ILE HD12 . 18429 1 990 . 1 1 77 77 ILE HD13 H 1 0.816 0.030 . 1 . . . A 77 ILE HD13 . 18429 1 991 . 1 1 77 77 ILE C C 13 177.219 0.400 . 1 . . . A 77 ILE C . 18429 1 992 . 1 1 77 77 ILE CA C 13 64.546 0.400 . 1 . . . A 77 ILE CA . 18429 1 993 . 1 1 77 77 ILE CB C 13 37.147 0.400 . 1 . . . A 77 ILE CB . 18429 1 994 . 1 1 77 77 ILE CG1 C 13 30.120 0.400 . 1 . . . A 77 ILE CG1 . 18429 1 995 . 1 1 77 77 ILE CG2 C 13 17.647 0.400 . 1 . . . A 77 ILE CG2 . 18429 1 996 . 1 1 77 77 ILE CD1 C 13 13.514 0.400 . 1 . . . A 77 ILE CD1 . 18429 1 997 . 1 1 77 77 ILE N N 15 121.044 0.400 . 1 . . . A 77 ILE N . 18429 1 998 . 1 1 78 78 GLU H H 1 8.161 0.030 . 1 . . . A 78 GLU H . 18429 1 999 . 1 1 78 78 GLU HA H 1 4.042 0.030 . 1 . . . A 78 GLU HA . 18429 1 1000 . 1 1 78 78 GLU HB2 H 1 2.088 0.030 . 2 . . . A 78 GLU HB2 . 18429 1 1001 . 1 1 78 78 GLU HB3 H 1 2.188 0.030 . 2 . . . A 78 GLU HB3 . 18429 1 1002 . 1 1 78 78 GLU HG2 H 1 2.348 0.030 . 2 . . . A 78 GLU HG2 . 18429 1 1003 . 1 1 78 78 GLU HG3 H 1 2.264 0.030 . 2 . . . A 78 GLU HG3 . 18429 1 1004 . 1 1 78 78 GLU C C 13 179.644 0.400 . 1 . . . A 78 GLU C . 18429 1 1005 . 1 1 78 78 GLU CA C 13 59.486 0.400 . 1 . . . A 78 GLU CA . 18429 1 1006 . 1 1 78 78 GLU CB C 13 28.986 0.400 . 1 . . . A 78 GLU CB . 18429 1 1007 . 1 1 78 78 GLU CG C 13 35.973 0.400 . 1 . . . A 78 GLU CG . 18429 1 1008 . 1 1 78 78 GLU N N 15 121.847 0.400 . 1 . . . A 78 GLU N . 18429 1 1009 . 1 1 79 79 LYS H H 1 7.756 0.030 . 1 . . . A 79 LYS H . 18429 1 1010 . 1 1 79 79 LYS HA H 1 3.962 0.030 . 1 . . . A 79 LYS HA . 18429 1 1011 . 1 1 79 79 LYS HB2 H 1 1.972 0.030 . 2 . . . A 79 LYS HB2 . 18429 1 1012 . 1 1 79 79 LYS HB3 H 1 1.879 0.030 . 2 . . . A 79 LYS HB3 . 18429 1 1013 . 1 1 79 79 LYS HG2 H 1 1.431 0.030 . 2 . . . A 79 LYS HG2 . 18429 1 1014 . 1 1 79 79 LYS HG3 H 1 1.404 0.030 . 2 . . . A 79 LYS HG3 . 18429 1 1015 . 1 1 79 79 LYS HD2 H 1 1.691 0.030 . 1 . . . A 79 LYS HD2 . 18429 1 1016 . 1 1 79 79 LYS HD3 H 1 1.691 0.030 . 1 . . . A 79 LYS HD3 . 18429 1 1017 . 1 1 79 79 LYS HE2 H 1 2.904 0.030 . 1 . . . A 79 LYS HE2 . 18429 1 1018 . 1 1 79 79 LYS HE3 H 1 2.904 0.030 . 1 . . . A 79 LYS HE3 . 18429 1 1019 . 1 1 79 79 LYS C C 13 179.729 0.400 . 1 . . . A 79 LYS C . 18429 1 1020 . 1 1 79 79 LYS CA C 13 59.741 0.400 . 1 . . . A 79 LYS CA . 18429 1 1021 . 1 1 79 79 LYS CB C 13 32.430 0.400 . 1 . . . A 79 LYS CB . 18429 1 1022 . 1 1 79 79 LYS CG C 13 25.516 0.400 . 1 . . . A 79 LYS CG . 18429 1 1023 . 1 1 79 79 LYS CD C 13 29.547 0.400 . 1 . . . A 79 LYS CD . 18429 1 1024 . 1 1 79 79 LYS CE C 13 41.920 0.400 . 1 . . . A 79 LYS CE . 18429 1 1025 . 1 1 79 79 LYS N N 15 118.842 0.400 . 1 . . . A 79 LYS N . 18429 1 1026 . 1 1 80 80 LEU H H 1 7.805 0.030 . 1 . . . A 80 LEU H . 18429 1 1027 . 1 1 80 80 LEU HA H 1 4.053 0.030 . 1 . . . A 80 LEU HA . 18429 1 1028 . 1 1 80 80 LEU HB2 H 1 1.863 0.030 . 2 . . . A 80 LEU HB2 . 18429 1 1029 . 1 1 80 80 LEU HB3 H 1 1.672 0.030 . 2 . . . A 80 LEU HB3 . 18429 1 1030 . 1 1 80 80 LEU HG H 1 1.814 0.030 . 1 . . . A 80 LEU HG . 18429 1 1031 . 1 1 80 80 LEU HD11 H 1 0.887 0.030 . 2 . . . A 80 LEU HD11 . 18429 1 1032 . 1 1 80 80 LEU HD12 H 1 0.887 0.030 . 2 . . . A 80 LEU HD12 . 18429 1 1033 . 1 1 80 80 LEU HD13 H 1 0.887 0.030 . 2 . . . A 80 LEU HD13 . 18429 1 1034 . 1 1 80 80 LEU HD21 H 1 0.866 0.030 . 2 . . . A 80 LEU HD21 . 18429 1 1035 . 1 1 80 80 LEU HD22 H 1 0.866 0.030 . 2 . . . A 80 LEU HD22 . 18429 1 1036 . 1 1 80 80 LEU HD23 H 1 0.866 0.030 . 2 . . . A 80 LEU HD23 . 18429 1 1037 . 1 1 80 80 LEU C C 13 178.939 0.400 . 1 . . . A 80 LEU C . 18429 1 1038 . 1 1 80 80 LEU CA C 13 57.955 0.400 . 1 . . . A 80 LEU CA . 18429 1 1039 . 1 1 80 80 LEU CB C 13 41.676 0.400 . 1 . . . A 80 LEU CB . 18429 1 1040 . 1 1 80 80 LEU CG C 13 26.794 0.400 . 1 . . . A 80 LEU CG . 18429 1 1041 . 1 1 80 80 LEU CD1 C 13 25.671 0.400 . 1 . . . A 80 LEU CD1 . 18429 1 1042 . 1 1 80 80 LEU CD2 C 13 24.372 0.400 . 1 . . . A 80 LEU CD2 . 18429 1 1043 . 1 1 80 80 LEU N N 15 120.440 0.400 . 1 . . . A 80 LEU N . 18429 1 1044 . 1 1 81 81 LEU H H 1 8.423 0.030 . 1 . . . A 81 LEU H . 18429 1 1045 . 1 1 81 81 LEU HA H 1 3.955 0.030 . 1 . . . A 81 LEU HA . 18429 1 1046 . 1 1 81 81 LEU HB2 H 1 1.673 0.030 . 2 . . . A 81 LEU HB2 . 18429 1 1047 . 1 1 81 81 LEU HB3 H 1 1.849 0.030 . 2 . . . A 81 LEU HB3 . 18429 1 1048 . 1 1 81 81 LEU HG H 1 1.490 0.030 . 1 . . . A 81 LEU HG . 18429 1 1049 . 1 1 81 81 LEU HD11 H 1 0.887 0.030 . 2 . . . A 81 LEU HD11 . 18429 1 1050 . 1 1 81 81 LEU HD12 H 1 0.887 0.030 . 2 . . . A 81 LEU HD12 . 18429 1 1051 . 1 1 81 81 LEU HD13 H 1 0.887 0.030 . 2 . . . A 81 LEU HD13 . 18429 1 1052 . 1 1 81 81 LEU HD21 H 1 0.861 0.030 . 2 . . . A 81 LEU HD21 . 18429 1 1053 . 1 1 81 81 LEU HD22 H 1 0.861 0.030 . 2 . . . A 81 LEU HD22 . 18429 1 1054 . 1 1 81 81 LEU HD23 H 1 0.861 0.030 . 2 . . . A 81 LEU HD23 . 18429 1 1055 . 1 1 81 81 LEU C C 13 179.366 0.400 . 1 . . . A 81 LEU C . 18429 1 1056 . 1 1 81 81 LEU CA C 13 57.776 0.400 . 1 . . . A 81 LEU CA . 18429 1 1057 . 1 1 81 81 LEU CB C 13 41.617 0.400 . 1 . . . A 81 LEU CB . 18429 1 1058 . 1 1 81 81 LEU CG C 13 26.767 0.400 . 1 . . . A 81 LEU CG . 18429 1 1059 . 1 1 81 81 LEU CD1 C 13 25.388 0.400 . 1 . . . A 81 LEU CD1 . 18429 1 1060 . 1 1 81 81 LEU CD2 C 13 24.325 0.400 . 1 . . . A 81 LEU CD2 . 18429 1 1061 . 1 1 81 81 LEU N N 15 119.519 0.400 . 1 . . . A 81 LEU N . 18429 1 1062 . 1 1 82 82 LYS H H 1 7.804 0.030 . 1 . . . A 82 LYS H . 18429 1 1063 . 1 1 82 82 LYS HA H 1 4.131 0.030 . 1 . . . A 82 LYS HA . 18429 1 1064 . 1 1 82 82 LYS HB2 H 1 1.944 0.030 . 1 . . . A 82 LYS HB2 . 18429 1 1065 . 1 1 82 82 LYS HB3 H 1 1.944 0.030 . 1 . . . A 82 LYS HB3 . 18429 1 1066 . 1 1 82 82 LYS HG2 H 1 1.589 0.030 . 2 . . . A 82 LYS HG2 . 18429 1 1067 . 1 1 82 82 LYS HG3 H 1 1.476 0.030 . 2 . . . A 82 LYS HG3 . 18429 1 1068 . 1 1 82 82 LYS HD2 H 1 1.675 0.030 . 1 . . . A 82 LYS HD2 . 18429 1 1069 . 1 1 82 82 LYS HD3 H 1 1.675 0.030 . 1 . . . A 82 LYS HD3 . 18429 1 1070 . 1 1 82 82 LYS HE2 H 1 2.967 0.030 . 1 . . . A 82 LYS HE2 . 18429 1 1071 . 1 1 82 82 LYS HE3 H 1 2.967 0.030 . 1 . . . A 82 LYS HE3 . 18429 1 1072 . 1 1 82 82 LYS C C 13 179.237 0.400 . 1 . . . A 82 LYS C . 18429 1 1073 . 1 1 82 82 LYS CA C 13 58.872 0.400 . 1 . . . A 82 LYS CA . 18429 1 1074 . 1 1 82 82 LYS CB C 13 32.212 0.400 . 1 . . . A 82 LYS CB . 18429 1 1075 . 1 1 82 82 LYS CG C 13 24.843 0.400 . 1 . . . A 82 LYS CG . 18429 1 1076 . 1 1 82 82 LYS CD C 13 29.125 0.400 . 1 . . . A 82 LYS CD . 18429 1 1077 . 1 1 82 82 LYS CE C 13 41.981 0.400 . 1 . . . A 82 LYS CE . 18429 1 1078 . 1 1 82 82 LYS N N 15 119.070 0.400 . 1 . . . A 82 LYS N . 18429 1 1079 . 1 1 83 83 LYS H H 1 7.737 0.030 . 1 . . . A 83 LYS H . 18429 1 1080 . 1 1 83 83 LYS HA H 1 4.241 0.030 . 1 . . . A 83 LYS HA . 18429 1 1081 . 1 1 83 83 LYS HB2 H 1 1.980 0.030 . 2 . . . A 83 LYS HB2 . 18429 1 1082 . 1 1 83 83 LYS HB3 H 1 1.894 0.030 . 2 . . . A 83 LYS HB3 . 18429 1 1083 . 1 1 83 83 LYS HG2 H 1 1.515 0.030 . 2 . . . A 83 LYS HG2 . 18429 1 1084 . 1 1 83 83 LYS HG3 H 1 1.478 0.030 . 2 . . . A 83 LYS HG3 . 18429 1 1085 . 1 1 83 83 LYS HD2 H 1 1.689 0.030 . 1 . . . A 83 LYS HD2 . 18429 1 1086 . 1 1 83 83 LYS HD3 H 1 1.689 0.030 . 1 . . . A 83 LYS HD3 . 18429 1 1087 . 1 1 83 83 LYS HE2 H 1 2.955 0.030 . 1 . . . A 83 LYS HE2 . 18429 1 1088 . 1 1 83 83 LYS HE3 H 1 2.955 0.030 . 1 . . . A 83 LYS HE3 . 18429 1 1089 . 1 1 83 83 LYS C C 13 178.234 0.400 . 1 . . . A 83 LYS C . 18429 1 1090 . 1 1 83 83 LYS CA C 13 57.328 0.400 . 1 . . . A 83 LYS CA . 18429 1 1091 . 1 1 83 83 LYS CB C 13 32.189 0.400 . 1 . . . A 83 LYS CB . 18429 1 1092 . 1 1 83 83 LYS CG C 13 24.999 0.400 . 1 . . . A 83 LYS CG . 18429 1 1093 . 1 1 83 83 LYS CD C 13 28.846 0.400 . 1 . . . A 83 LYS CD . 18429 1 1094 . 1 1 83 83 LYS CE C 13 41.987 0.400 . 1 . . . A 83 LYS CE . 18429 1 1095 . 1 1 83 83 LYS N N 15 119.647 0.400 . 1 . . . A 83 LYS N . 18429 1 1096 . 1 1 84 84 ALA H H 1 8.259 0.030 . 1 . . . A 84 ALA H . 18429 1 1097 . 1 1 84 84 ALA HA H 1 4.070 0.030 . 1 . . . A 84 ALA HA . 18429 1 1098 . 1 1 84 84 ALA HB1 H 1 1.436 0.030 . 1 . . . A 84 ALA HB1 . 18429 1 1099 . 1 1 84 84 ALA HB2 H 1 1.436 0.030 . 1 . . . A 84 ALA HB2 . 18429 1 1100 . 1 1 84 84 ALA HB3 H 1 1.436 0.030 . 1 . . . A 84 ALA HB3 . 18429 1 1101 . 1 1 84 84 ALA C C 13 179.003 0.400 . 1 . . . A 84 ALA C . 18429 1 1102 . 1 1 84 84 ALA CA C 13 53.922 0.400 . 1 . . . A 84 ALA CA . 18429 1 1103 . 1 1 84 84 ALA CB C 13 18.175 0.400 . 1 . . . A 84 ALA CB . 18429 1 1104 . 1 1 84 84 ALA N N 15 122.121 0.400 . 1 . . . A 84 ALA N . 18429 1 1105 . 1 1 85 85 GLY H H 1 8.191 0.030 . 1 . . . A 85 GLY H . 18429 1 1106 . 1 1 85 85 GLY HA2 H 1 3.977 0.030 . 1 . . . A 85 GLY HA2 . 18429 1 1107 . 1 1 85 85 GLY HA3 H 1 3.977 0.030 . 1 . . . A 85 GLY HA3 . 18429 1 1108 . 1 1 85 85 GLY C C 13 174.759 0.400 . 1 . . . A 85 GLY C . 18429 1 1109 . 1 1 85 85 GLY CA C 13 45.737 0.400 . 1 . . . A 85 GLY CA . 18429 1 1110 . 1 1 85 85 GLY N N 15 105.518 0.400 . 1 . . . A 85 GLY N . 18429 1 1111 . 1 1 86 86 SER H H 1 7.884 0.030 . 1 . . . A 86 SER H . 18429 1 1112 . 1 1 86 86 SER HA H 1 4.512 0.030 . 1 . . . A 86 SER HA . 18429 1 1113 . 1 1 86 86 SER HB2 H 1 3.924 0.030 . 1 . . . A 86 SER HB2 . 18429 1 1114 . 1 1 86 86 SER HB3 H 1 3.924 0.030 . 1 . . . A 86 SER HB3 . 18429 1 1115 . 1 1 86 86 SER C C 13 174.452 0.400 . 1 . . . A 86 SER C . 18429 1 1116 . 1 1 86 86 SER CA C 13 58.641 0.400 . 1 . . . A 86 SER CA . 18429 1 1117 . 1 1 86 86 SER CB C 13 63.751 0.400 . 1 . . . A 86 SER CB . 18429 1 1118 . 1 1 86 86 SER N N 15 114.680 0.400 . 1 . . . A 86 SER N . 18429 1 1119 . 1 1 87 87 LEU H H 1 7.806 0.030 . 1 . . . A 87 LEU H . 18429 1 1120 . 1 1 87 87 LEU HA H 1 4.332 0.030 . 1 . . . A 87 LEU HA . 18429 1 1121 . 1 1 87 87 LEU HB2 H 1 1.558 0.030 . 2 . . . A 87 LEU HB2 . 18429 1 1122 . 1 1 87 87 LEU HB3 H 1 1.751 0.030 . 2 . . . A 87 LEU HB3 . 18429 1 1123 . 1 1 87 87 LEU HG H 1 1.725 0.030 . 1 . . . A 87 LEU HG . 18429 1 1124 . 1 1 87 87 LEU HD11 H 1 0.872 0.030 . 2 . . . A 87 LEU HD11 . 18429 1 1125 . 1 1 87 87 LEU HD12 H 1 0.872 0.030 . 2 . . . A 87 LEU HD12 . 18429 1 1126 . 1 1 87 87 LEU HD13 H 1 0.872 0.030 . 2 . . . A 87 LEU HD13 . 18429 1 1127 . 1 1 87 87 LEU HD21 H 1 0.810 0.030 . 2 . . . A 87 LEU HD21 . 18429 1 1128 . 1 1 87 87 LEU HD22 H 1 0.810 0.030 . 2 . . . A 87 LEU HD22 . 18429 1 1129 . 1 1 87 87 LEU HD23 H 1 0.810 0.030 . 2 . . . A 87 LEU HD23 . 18429 1 1130 . 1 1 87 87 LEU C C 13 176.845 0.400 . 1 . . . A 87 LEU C . 18429 1 1131 . 1 1 87 87 LEU CA C 13 54.992 0.400 . 1 . . . A 87 LEU CA . 18429 1 1132 . 1 1 87 87 LEU CB C 13 41.924 0.400 . 1 . . . A 87 LEU CB . 18429 1 1133 . 1 1 87 87 LEU CG C 13 26.735 0.400 . 1 . . . A 87 LEU CG . 18429 1 1134 . 1 1 87 87 LEU CD1 C 13 25.390 0.400 . 1 . . . A 87 LEU CD1 . 18429 1 1135 . 1 1 87 87 LEU CD2 C 13 23.255 0.400 . 1 . . . A 87 LEU CD2 . 18429 1 1136 . 1 1 87 87 LEU N N 15 122.300 0.400 . 1 . . . A 87 LEU N . 18429 1 1137 . 1 1 88 88 VAL H H 1 7.849 0.030 . 1 . . . A 88 VAL H . 18429 1 1138 . 1 1 88 88 VAL HA H 1 4.387 0.030 . 1 . . . A 88 VAL HA . 18429 1 1139 . 1 1 88 88 VAL HB H 1 2.095 0.030 . 1 . . . A 88 VAL HB . 18429 1 1140 . 1 1 88 88 VAL HG11 H 1 0.958 0.030 . 2 . . . A 88 VAL HG11 . 18429 1 1141 . 1 1 88 88 VAL HG12 H 1 0.958 0.030 . 2 . . . A 88 VAL HG12 . 18429 1 1142 . 1 1 88 88 VAL HG13 H 1 0.958 0.030 . 2 . . . A 88 VAL HG13 . 18429 1 1143 . 1 1 88 88 VAL HG21 H 1 0.956 0.030 . 2 . . . A 88 VAL HG21 . 18429 1 1144 . 1 1 88 88 VAL HG22 H 1 0.956 0.030 . 2 . . . A 88 VAL HG22 . 18429 1 1145 . 1 1 88 88 VAL HG23 H 1 0.956 0.030 . 2 . . . A 88 VAL HG23 . 18429 1 1146 . 1 1 88 88 VAL C C 13 174.367 0.400 . 1 . . . A 88 VAL C . 18429 1 1147 . 1 1 88 88 VAL CA C 13 59.756 0.400 . 1 . . . A 88 VAL CA . 18429 1 1148 . 1 1 88 88 VAL CB C 13 32.378 0.400 . 1 . . . A 88 VAL CB . 18429 1 1149 . 1 1 88 88 VAL CG1 C 13 20.913 0.400 . 1 . . . A 88 VAL CG1 . 18429 1 1150 . 1 1 88 88 VAL CG2 C 13 20.444 0.400 . 1 . . . A 88 VAL CG2 . 18429 1 1151 . 1 1 88 88 VAL N N 15 120.869 0.400 . 1 . . . A 88 VAL N . 18429 1 1152 . 1 1 89 89 PRO HA H 1 4.412 0.030 . 1 . . . A 89 PRO HA . 18429 1 1153 . 1 1 89 89 PRO HB2 H 1 2.274 0.030 . 2 . . . A 89 PRO HB2 . 18429 1 1154 . 1 1 89 89 PRO HB3 H 1 1.888 0.030 . 2 . . . A 89 PRO HB3 . 18429 1 1155 . 1 1 89 89 PRO HG2 H 1 2.024 0.030 . 2 . . . A 89 PRO HG2 . 18429 1 1156 . 1 1 89 89 PRO HG3 H 1 1.944 0.030 . 2 . . . A 89 PRO HG3 . 18429 1 1157 . 1 1 89 89 PRO HD2 H 1 3.868 0.030 . 2 . . . A 89 PRO HD2 . 18429 1 1158 . 1 1 89 89 PRO HD3 H 1 3.639 0.030 . 2 . . . A 89 PRO HD3 . 18429 1 1159 . 1 1 89 89 PRO C C 13 176.898 0.400 . 1 . . . A 89 PRO C . 18429 1 1160 . 1 1 89 89 PRO CA C 13 62.929 0.400 . 1 . . . A 89 PRO CA . 18429 1 1161 . 1 1 89 89 PRO CB C 13 31.926 0.400 . 1 . . . A 89 PRO CB . 18429 1 1162 . 1 1 89 89 PRO CG C 13 27.358 0.400 . 1 . . . A 89 PRO CG . 18429 1 1163 . 1 1 89 89 PRO CD C 13 50.839 0.400 . 1 . . . A 89 PRO CD . 18429 1 1164 . 1 1 90 90 ARG H H 1 8.528 0.030 . 1 . . . A 90 ARG H . 18429 1 1165 . 1 1 90 90 ARG HA H 1 4.291 0.030 . 1 . . . A 90 ARG HA . 18429 1 1166 . 1 1 90 90 ARG HB2 H 1 1.862 0.030 . 2 . . . A 90 ARG HB2 . 18429 1 1167 . 1 1 90 90 ARG HB3 H 1 1.800 0.030 . 2 . . . A 90 ARG HB3 . 18429 1 1168 . 1 1 90 90 ARG HG2 H 1 1.690 0.030 . 1 . . . A 90 ARG HG2 . 18429 1 1169 . 1 1 90 90 ARG HG3 H 1 1.690 0.030 . 1 . . . A 90 ARG HG3 . 18429 1 1170 . 1 1 90 90 ARG HD2 H 1 3.192 0.030 . 1 . . . A 90 ARG HD2 . 18429 1 1171 . 1 1 90 90 ARG HD3 H 1 3.192 0.030 . 1 . . . A 90 ARG HD3 . 18429 1 1172 . 1 1 90 90 ARG C C 13 177.081 0.400 . 1 . . . A 90 ARG C . 18429 1 1173 . 1 1 90 90 ARG CA C 13 56.325 0.400 . 1 . . . A 90 ARG CA . 18429 1 1174 . 1 1 90 90 ARG CB C 13 30.554 0.400 . 1 . . . A 90 ARG CB . 18429 1 1175 . 1 1 90 90 ARG CG C 13 26.916 0.400 . 1 . . . A 90 ARG CG . 18429 1 1176 . 1 1 90 90 ARG CD C 13 43.265 0.400 . 1 . . . A 90 ARG CD . 18429 1 1177 . 1 1 90 90 ARG N N 15 121.893 0.400 . 1 . . . A 90 ARG N . 18429 1 1178 . 1 1 91 91 GLY H H 1 8.551 0.030 . 1 . . . A 91 GLY H . 18429 1 1179 . 1 1 91 91 GLY HA2 H 1 3.946 0.030 . 1 . . . A 91 GLY HA2 . 18429 1 1180 . 1 1 91 91 GLY HA3 H 1 3.946 0.030 . 1 . . . A 91 GLY HA3 . 18429 1 1181 . 1 1 91 91 GLY C C 13 174.324 0.400 . 1 . . . A 91 GLY C . 18429 1 1182 . 1 1 91 91 GLY CA C 13 45.293 0.400 . 1 . . . A 91 GLY CA . 18429 1 1183 . 1 1 91 91 GLY N N 15 109.932 0.400 . 1 . . . A 91 GLY N . 18429 1 1184 . 1 1 92 92 SER H H 1 8.183 0.030 . 1 . . . A 92 SER H . 18429 1 1185 . 1 1 92 92 SER HA H 1 4.407 0.030 . 1 . . . A 92 SER HA . 18429 1 1186 . 1 1 92 92 SER HB2 H 1 3.808 0.030 . 2 . . . A 92 SER HB2 . 18429 1 1187 . 1 1 92 92 SER HB3 H 1 3.781 0.030 . 2 . . . A 92 SER HB3 . 18429 1 1188 . 1 1 92 92 SER C C 13 174.463 0.400 . 1 . . . A 92 SER C . 18429 1 1189 . 1 1 92 92 SER CA C 13 58.310 0.400 . 1 . . . A 92 SER CA . 18429 1 1190 . 1 1 92 92 SER CB C 13 63.616 0.400 . 1 . . . A 92 SER CB . 18429 1 1191 . 1 1 92 92 SER N N 15 115.612 0.400 . 1 . . . A 92 SER N . 18429 1 1192 . 1 1 93 93 TYR H H 1 8.206 0.030 . 1 . . . A 93 TYR H . 18429 1 1193 . 1 1 93 93 TYR HA H 1 4.506 0.030 . 1 . . . A 93 TYR HA . 18429 1 1194 . 1 1 93 93 TYR HB2 H 1 3.017 0.030 . 2 . . . A 93 TYR HB2 . 18429 1 1195 . 1 1 93 93 TYR HB3 H 1 2.975 0.030 . 2 . . . A 93 TYR HB3 . 18429 1 1196 . 1 1 93 93 TYR HD1 H 1 7.063 0.030 . 1 . . . A 93 TYR HD1 . 18429 1 1197 . 1 1 93 93 TYR HD2 H 1 7.063 0.030 . 1 . . . A 93 TYR HD2 . 18429 1 1198 . 1 1 93 93 TYR HE1 H 1 6.776 0.030 . 1 . . . A 93 TYR HE1 . 18429 1 1199 . 1 1 93 93 TYR HE2 H 1 6.776 0.030 . 1 . . . A 93 TYR HE2 . 18429 1 1200 . 1 1 93 93 TYR C C 13 175.659 0.400 . 1 . . . A 93 TYR C . 18429 1 1201 . 1 1 93 93 TYR CA C 13 58.105 0.400 . 1 . . . A 93 TYR CA . 18429 1 1202 . 1 1 93 93 TYR CB C 13 38.291 0.400 . 1 . . . A 93 TYR CB . 18429 1 1203 . 1 1 93 93 TYR CD1 C 13 132.981 0.400 . 1 . . . A 93 TYR CD1 . 18429 1 1204 . 1 1 93 93 TYR CE1 C 13 117.932 0.400 . 1 . . . A 93 TYR CE1 . 18429 1 1205 . 1 1 93 93 TYR N N 15 122.140 0.400 . 1 . . . A 93 TYR N . 18429 1 1206 . 1 1 94 94 LEU H H 1 8.007 0.030 . 1 . . . A 94 LEU H . 18429 1 1207 . 1 1 94 94 LEU HA H 1 4.199 0.030 . 1 . . . A 94 LEU HA . 18429 1 1208 . 1 1 94 94 LEU HB2 H 1 1.490 0.030 . 2 . . . A 94 LEU HB2 . 18429 1 1209 . 1 1 94 94 LEU HB3 H 1 1.430 0.030 . 2 . . . A 94 LEU HB3 . 18429 1 1210 . 1 1 94 94 LEU HG H 1 1.389 0.030 . 1 . . . A 94 LEU HG . 18429 1 1211 . 1 1 94 94 LEU HD11 H 1 0.842 0.030 . 2 . . . A 94 LEU HD11 . 18429 1 1212 . 1 1 94 94 LEU HD12 H 1 0.842 0.030 . 2 . . . A 94 LEU HD12 . 18429 1 1213 . 1 1 94 94 LEU HD13 H 1 0.842 0.030 . 2 . . . A 94 LEU HD13 . 18429 1 1214 . 1 1 94 94 LEU HD21 H 1 0.790 0.030 . 2 . . . A 94 LEU HD21 . 18429 1 1215 . 1 1 94 94 LEU HD22 H 1 0.790 0.030 . 2 . . . A 94 LEU HD22 . 18429 1 1216 . 1 1 94 94 LEU HD23 H 1 0.790 0.030 . 2 . . . A 94 LEU HD23 . 18429 1 1217 . 1 1 94 94 LEU C C 13 177.037 0.400 . 1 . . . A 94 LEU C . 18429 1 1218 . 1 1 94 94 LEU CA C 13 54.945 0.400 . 1 . . . A 94 LEU CA . 18429 1 1219 . 1 1 94 94 LEU CB C 13 42.166 0.400 . 1 . . . A 94 LEU CB . 18429 1 1220 . 1 1 94 94 LEU CG C 13 26.590 0.400 . 1 . . . A 94 LEU CG . 18429 1 1221 . 1 1 94 94 LEU CD1 C 13 24.827 0.400 . 1 . . . A 94 LEU CD1 . 18429 1 1222 . 1 1 94 94 LEU CD2 C 13 23.360 0.400 . 1 . . . A 94 LEU CD2 . 18429 1 1223 . 1 1 94 94 LEU N N 15 123.025 0.400 . 1 . . . A 94 LEU N . 18429 1 1224 . 1 1 95 95 GLU H H 1 8.141 0.030 . 1 . . . A 95 GLU H . 18429 1 1225 . 1 1 95 95 GLU HA H 1 4.116 0.030 . 1 . . . A 95 GLU HA . 18429 1 1226 . 1 1 95 95 GLU HB2 H 1 1.853 0.030 . 2 . . . A 95 GLU HB2 . 18429 1 1227 . 1 1 95 95 GLU HB3 H 1 1.896 0.030 . 2 . . . A 95 GLU HB3 . 18429 1 1228 . 1 1 95 95 GLU HG2 H 1 2.113 0.030 . 2 . . . A 95 GLU HG2 . 18429 1 1229 . 1 1 95 95 GLU HG3 H 1 2.180 0.030 . 2 . . . A 95 GLU HG3 . 18429 1 1230 . 1 1 95 95 GLU C C 13 176.268 0.400 . 1 . . . A 95 GLU C . 18429 1 1231 . 1 1 95 95 GLU CA C 13 56.713 0.400 . 1 . . . A 95 GLU CA . 18429 1 1232 . 1 1 95 95 GLU CB C 13 30.046 0.400 . 1 . . . A 95 GLU CB . 18429 1 1233 . 1 1 95 95 GLU CG C 13 36.063 0.400 . 1 . . . A 95 GLU CG . 18429 1 1234 . 1 1 95 95 GLU N N 15 120.848 0.400 . 1 . . . A 95 GLU N . 18429 1 1235 . 1 1 96 96 HIS H H 1 8.144 0.030 . 1 . . . A 96 HIS H . 18429 1 1236 . 1 1 96 96 HIS HA H 1 4.570 0.030 . 1 . . . A 96 HIS HA . 18429 1 1237 . 1 1 96 96 HIS HB2 H 1 3.012 0.030 . 2 . . . A 96 HIS HB2 . 18429 1 1238 . 1 1 96 96 HIS HB3 H 1 2.964 0.030 . 2 . . . A 96 HIS HB3 . 18429 1 1239 . 1 1 96 96 HIS C C 13 174.100 0.400 . 1 . . . A 96 HIS C . 18429 1 1240 . 1 1 96 96 HIS CA C 13 55.839 0.400 . 1 . . . A 96 HIS CA . 18429 1 1241 . 1 1 96 96 HIS CB C 13 30.404 0.400 . 1 . . . A 96 HIS CB . 18429 1 1242 . 1 1 96 96 HIS N N 15 119.288 0.400 . 1 . . . A 96 HIS N . 18429 1 1243 . 1 1 97 97 HIS H H 1 8.017 0.030 . 1 . . . A 97 HIS H . 18429 1 1244 . 1 1 97 97 HIS C C 13 179.480 0.400 . 1 . . . A 97 HIS C . 18429 1 1245 . 1 1 97 97 HIS CA C 13 57.447 0.400 . 1 . . . A 97 HIS CA . 18429 1 1246 . 1 1 97 97 HIS CB C 13 30.754 0.400 . 1 . . . A 97 HIS CB . 18429 1 1247 . 1 1 97 97 HIS N N 15 125.622 0.400 . 1 . . . A 97 HIS N . 18429 1 stop_ save_