data_15871 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15871 _Entry.Title ; Solution Structure of XACb0070 from Xanthonomas axonopodis pv citri ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-10 _Entry.Accession_date 2008-07-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mariana Gallo . . . 15871 2 Daniel Cicero . O. . 15871 3 Irene Amata . . . 15871 4 Tommaso Eliseo . . . 15871 5 Maurizio Paci . . . 15871 6 Alberto Spisni . . . 15871 7 Elena Ferrari . . . 15871 8 Thelma Pertinhez . A. . 15871 9 Chuck Farah . S. . 15871 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 SMolBNet FAPESP . 15871 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15871 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 15871 '15N chemical shifts' 51 15871 '1H chemical shifts' 495 15871 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-03-26 2008-07-10 update BMRB 'complete entry citation' 15871 1 . . 2009-10-20 2008-07-10 original author 'original release' 15871 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15871 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20060909 _Citation.Full_citation . _Citation.Title 'A new member of the ribbon-helix-helix transcription factor superfamily from the plant pathogen Xanthomonas axonopodis pv.citri.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 170 _Citation.Journal_issue 1 _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 21 _Citation.Page_last 31 _Citation.Year 2010 _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 Mariana Gallo . . . 15871 1 2 Elena Ferrari . . . 15871 1 3 Tommaso Eliseo . . . 15871 1 4 Irene Amata . . . 15871 1 5 Thelma Pertinhez . A. . 15871 1 6 Angela Katsuyama . M. . 15871 1 7 Maurizio Paci . . . 15871 1 8 Chuck Farah . S. . 15871 1 9 Alberto Spisni . . . 15871 1 10 Daniel Cicero . O. . 15871 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RHH 15871 1 'solution structure' 15871 1 'Xanthomonas citri' 15871 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15871 _Assembly.ID 1 _Assembly.Name 'XACb0070 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17618 _Assembly.Enzyme_commission_number . _Assembly.Details homodimer _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 'subunit 1' 1 $XACb0070 A . yes native no no . . . 15871 1 2 'subunit 2' 1 $XACb0070 B . yes native no no . . . 15871 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding protein' 15871 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XACb0070 _Entity.Sf_category entity _Entity.Sf_framecode XACb0070 _Entity.Entry_ID 15871 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XACb0070 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNTVRWNIAVSPDVDQSVRM FIAAQGGGRKGDLSRFIEDA VRAYLFERAVEQAKAATVGM GETELNDLIDEAVQWAREH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8809 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'XACb0070 exists as a homodimer in solution.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K6L . "The Solution Structure Of Xacb0070 From Xanthonomas Axonopodis Pv Citri Reveals This New Protein Is A Member Of The Rhh Family " . . . . . 64.56 51 100.00 100.00 1.81e-27 . . . . 15871 1 2 no EMBL CAJ19764 . "conserved hypothetical protein [Xanthomonas campestris pv. vesicatoria str. 85-10]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 3 no EMBL CAJ19808 . "conserved hypothetical protein [Xanthomonas campestris pv. vesicatoria str. 85-10]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 4 no EMBL CAJ19922 . "conserved hypothetical protein [Xanthomonas campestris pv. vesicatoria str. 85-10]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 5 no EMBL CCG39510 . "putative uncharacterized protein [Xanthomonas citri pv. mangiferaeindicae LMG 941]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 6 no EMBL CEH38585 . "conserved hypothetical protein [Xanthomonas citri pv. citri]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 7 no GB AAM39241 . "conserved hypothetical protein [Xanthomonas axonopodis pv. citri str. 306]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 8 no GB AAM39316 . "conserved hypothetical protein [Xanthomonas axonopodis pv. citri str. 306]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 9 no GB AAX12196 . "hypothetical protein [Xanthomonas axonopodis pv. glycines]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 10 no GB AAX12212 . "hypothetical protein [Xanthomonas axonopodis pv. glycines]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 11 no GB AGH79850 . "hypothetical protein XAC29_22484 [Xanthomonas axonopodis Xac29-1]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 12 no REF WP_003491212 . "MULTISPECIES: hypothetical protein [Xanthomonas]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 13 no REF YP_001965985 . "hypothetical protein [Xanthomonas axonopodis pv. glycines]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 14 no REF YP_001966014 . "hypothetical protein [Xanthomonas axonopodis pv. glycines]" . . . . . 100.00 79 100.00 100.00 5.11e-49 . . . . 15871 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding protein' 15871 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 . 15871 1 2 . ASN . 15871 1 3 . THR . 15871 1 4 . VAL . 15871 1 5 . ARG . 15871 1 6 . TRP . 15871 1 7 . ASN . 15871 1 8 . ILE . 15871 1 9 . ALA . 15871 1 10 . VAL . 15871 1 11 . SER . 15871 1 12 . PRO . 15871 1 13 . ASP . 15871 1 14 . VAL . 15871 1 15 . ASP . 15871 1 16 . GLN . 15871 1 17 . SER . 15871 1 18 . VAL . 15871 1 19 . ARG . 15871 1 20 . MET . 15871 1 21 . PHE . 15871 1 22 . ILE . 15871 1 23 . ALA . 15871 1 24 . ALA . 15871 1 25 . GLN . 15871 1 26 . GLY . 15871 1 27 . GLY . 15871 1 28 . GLY . 15871 1 29 . ARG . 15871 1 30 . LYS . 15871 1 31 . GLY . 15871 1 32 . ASP . 15871 1 33 . LEU . 15871 1 34 . SER . 15871 1 35 . ARG . 15871 1 36 . PHE . 15871 1 37 . ILE . 15871 1 38 . GLU . 15871 1 39 . ASP . 15871 1 40 . ALA . 15871 1 41 . VAL . 15871 1 42 . ARG . 15871 1 43 . ALA . 15871 1 44 . TYR . 15871 1 45 . LEU . 15871 1 46 . PHE . 15871 1 47 . GLU . 15871 1 48 . ARG . 15871 1 49 . ALA . 15871 1 50 . VAL . 15871 1 51 . GLU . 15871 1 52 . GLN . 15871 1 53 . ALA . 15871 1 54 . LYS . 15871 1 55 . ALA . 15871 1 56 . ALA . 15871 1 57 . THR . 15871 1 58 . VAL . 15871 1 59 . GLY . 15871 1 60 . MET . 15871 1 61 . GLY . 15871 1 62 . GLU . 15871 1 63 . THR . 15871 1 64 . GLU . 15871 1 65 . LEU . 15871 1 66 . ASN . 15871 1 67 . ASP . 15871 1 68 . LEU . 15871 1 69 . ILE . 15871 1 70 . ASP . 15871 1 71 . GLU . 15871 1 72 . ALA . 15871 1 73 . VAL . 15871 1 74 . GLN . 15871 1 75 . TRP . 15871 1 76 . ALA . 15871 1 77 . ARG . 15871 1 78 . GLU . 15871 1 79 . HIS . 15871 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 15871 1 . ASN 2 2 15871 1 . THR 3 3 15871 1 . VAL 4 4 15871 1 . ARG 5 5 15871 1 . TRP 6 6 15871 1 . ASN 7 7 15871 1 . ILE 8 8 15871 1 . ALA 9 9 15871 1 . VAL 10 10 15871 1 . SER 11 11 15871 1 . PRO 12 12 15871 1 . ASP 13 13 15871 1 . VAL 14 14 15871 1 . ASP 15 15 15871 1 . GLN 16 16 15871 1 . SER 17 17 15871 1 . VAL 18 18 15871 1 . ARG 19 19 15871 1 . MET 20 20 15871 1 . PHE 21 21 15871 1 . ILE 22 22 15871 1 . ALA 23 23 15871 1 . ALA 24 24 15871 1 . GLN 25 25 15871 1 . GLY 26 26 15871 1 . GLY 27 27 15871 1 . GLY 28 28 15871 1 . ARG 29 29 15871 1 . LYS 30 30 15871 1 . GLY 31 31 15871 1 . ASP 32 32 15871 1 . LEU 33 33 15871 1 . SER 34 34 15871 1 . ARG 35 35 15871 1 . PHE 36 36 15871 1 . ILE 37 37 15871 1 . GLU 38 38 15871 1 . ASP 39 39 15871 1 . ALA 40 40 15871 1 . VAL 41 41 15871 1 . ARG 42 42 15871 1 . ALA 43 43 15871 1 . TYR 44 44 15871 1 . LEU 45 45 15871 1 . PHE 46 46 15871 1 . GLU 47 47 15871 1 . ARG 48 48 15871 1 . ALA 49 49 15871 1 . VAL 50 50 15871 1 . GLU 51 51 15871 1 . GLN 52 52 15871 1 . ALA 53 53 15871 1 . LYS 54 54 15871 1 . ALA 55 55 15871 1 . ALA 56 56 15871 1 . THR 57 57 15871 1 . VAL 58 58 15871 1 . GLY 59 59 15871 1 . MET 60 60 15871 1 . GLY 61 61 15871 1 . GLU 62 62 15871 1 . THR 63 63 15871 1 . GLU 64 64 15871 1 . LEU 65 65 15871 1 . ASN 66 66 15871 1 . ASP 67 67 15871 1 . LEU 68 68 15871 1 . ILE 69 69 15871 1 . ASP 70 70 15871 1 . GLU 71 71 15871 1 . ALA 72 72 15871 1 . VAL 73 73 15871 1 . GLN 74 74 15871 1 . TRP 75 75 15871 1 . ALA 76 76 15871 1 . ARG 77 77 15871 1 . GLU 78 78 15871 1 . HIS 79 79 15871 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 15871 _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 $XACb0070 . 92829 plasmid . 'Xanthomonas axonopodis pv. citri' 'Xanthomonas axonopodis' . . Bacteria . Xanthomonas axonopodis . . . . . . . . . . . . . . . . 'XACa0037, XACb0070' . 'The protein is codde by the plasmids pXAC33, and pXAC64 of the bacteria.' . . 15871 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 15871 _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 $XACb0070 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 (DE3)pLysS . . . . . . . . . . . . . . pET-3a . . . . . . 15871 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15871 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 15871 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15871 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15871 1 4 XACb0070 'natural abundance' . . 1 $XACb0070 . . 0.3 . . mM . . . . 15871 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15871 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15871 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15871 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 15871 2 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15871 2 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15871 2 4 XACb0070 'natural abundance' . . 1 $XACb0070 . . 0.5 . . mM . . . . 15871 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15871 2 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15871 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15871 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 15871 3 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15871 3 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15871 3 4 XACb0070 'natural abundance' . . 1 $XACb0070 . . 0.5 . . mM . . . . 15871 3 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 15871 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15871 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 15871 1 pH 6.7 0.05 pH 15871 1 pressure 1 . atm 15871 1 temperature 313 0.1 K 15871 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15871 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 420 . mM 15871 2 pH 9.00 0.05 pH 15871 2 pressure 1 . atm 15871 2 temperature 308.0 0.1 K 15871 2 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15871 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15871 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15871 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15871 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15871 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15871 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15871 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15871 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15871 3 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 15871 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15871 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 15871 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 400 . . . 15871 1 2 spectrometer_2 Bruker Avance . 700 . . . 15871 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 15871 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15871 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15871 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15871 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 11 HetNOE no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 12 T1 no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 1 13 T2 no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15871 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 15871 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbon' . . . . ppm 0 external indirect 1 . . . 1 $entry_citation . . 1 $entry_citation 15871 1 H 1 TMS 'methyl protons' . . . . ppm 0 external indirect 1 . . . 1 $entry_citation . . 1 $entry_citation 15871 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0 external indirect 1 . . . 1 $entry_citation . . 1 $entry_citation 15871 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 15871 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 15871 1 3 '2D 1H-13C HSQC' . . . 15871 1 4 '2D 1H-1H TOCSY' . . . 15871 1 5 '2D 1H-1H NOESY' . . . 15871 1 6 '3D CBCA(CO)NH' . . . 15871 1 7 '3D HNCO' . . . 15871 1 8 '3D HNCA' . . . 15871 1 9 '3D HBHA(CO)NH' . . . 15871 1 10 '2D 1H-1H NOESY' . . . 15871 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $xwinnmr . . 15871 1 2 $NMRPipe . . 15871 1 3 $NMRView . . 15871 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 4.427 0.02 . 1 . . . . 1 MET HA . 15871 1 2 . 1 1 1 1 MET HB2 H 1 2.174 0.02 . 2 . . . . 1 MET HB1 . 15871 1 3 . 1 1 1 1 MET HB3 H 1 2.327 0.02 . 2 . . . . 1 MET HB2 . 15871 1 4 . 1 1 1 1 MET C C 13 176.021 0.2 . 1 . . . . 1 MET C . 15871 1 5 . 1 1 1 1 MET CA C 13 55.743 0.2 . 1 . . . . 1 MET CA . 15871 1 6 . 1 1 1 1 MET CB C 13 29.675 0.2 . 1 . . . . 1 MET CB . 15871 1 7 . 1 1 2 2 ASN H H 1 8.231 0.02 . 1 . . . . 2 ASN HN . 15871 1 8 . 1 1 2 2 ASN HA H 1 4.852 0.02 . 1 . . . . 2 ASN HA . 15871 1 9 . 1 1 2 2 ASN HB2 H 1 2.844 0.02 . 2 . . . . 2 ASN HB1 . 15871 1 10 . 1 1 2 2 ASN HB3 H 1 2.844 0.02 . 2 . . . . 2 ASN HB2 . 15871 1 11 . 1 1 2 2 ASN C C 13 174.586 0.2 . 1 . . . . 2 ASN C . 15871 1 12 . 1 1 2 2 ASN CA C 13 52.414 0.2 . 1 . . . . 2 ASN CA . 15871 1 13 . 1 1 2 2 ASN CB C 13 38.147 0.2 . 1 . . . . 2 ASN CB . 15871 1 14 . 1 1 2 2 ASN N N 15 122.582 0.2 . 1 . . . . 2 ASN N . 15871 1 15 . 1 1 3 3 THR H H 1 7.761 0.02 . 1 . . . . 3 THR HN . 15871 1 16 . 1 1 3 3 THR HA H 1 4.476 0.02 . 1 . . . . 3 THR HA . 15871 1 17 . 1 1 3 3 THR HB H 1 4.040 0.02 . 1 . . . . 3 THR HB . 15871 1 18 . 1 1 3 3 THR HG21 H 1 1.073 0.02 . 1 . . . . 3 THR HG21 . 15871 1 19 . 1 1 3 3 THR HG22 H 1 1.073 0.02 . 1 . . . . 3 THR HG21 . 15871 1 20 . 1 1 3 3 THR HG23 H 1 1.073 0.02 . 1 . . . . 3 THR HG21 . 15871 1 21 . 1 1 3 3 THR C C 13 173.582 0.2 . 1 . . . . 3 THR C . 15871 1 22 . 1 1 3 3 THR CA C 13 60.176 0.2 . 1 . . . . 3 THR CA . 15871 1 23 . 1 1 3 3 THR CB C 13 70.754 0.2 . 1 . . . . 3 THR CB . 15871 1 24 . 1 1 3 3 THR CG2 C 13 21.352 0.2 . 1 . . . . 3 THR CG2 . 15871 1 25 . 1 1 3 3 THR N N 15 110.840 0.2 . 1 . . . . 3 THR N . 15871 1 26 . 1 1 4 4 VAL H H 1 8.886 0.02 . 1 . . . . 4 VAL HN . 15871 1 27 . 1 1 4 4 VAL HA H 1 4.221 0.02 . 1 . . . . 4 VAL HA . 15871 1 28 . 1 1 4 4 VAL HB H 1 1.740 0.02 . 1 . . . . 4 VAL HB . 15871 1 29 . 1 1 4 4 VAL HG11 H 1 0.905 0.02 . 4 . . . . 4 VAL HG11 . 15871 1 30 . 1 1 4 4 VAL HG12 H 1 0.905 0.02 . 4 . . . . 4 VAL HG11 . 15871 1 31 . 1 1 4 4 VAL HG13 H 1 0.905 0.02 . 4 . . . . 4 VAL HG11 . 15871 1 32 . 1 1 4 4 VAL HG21 H 1 0.905 0.02 . 4 . . . . 4 VAL HG21 . 15871 1 33 . 1 1 4 4 VAL HG22 H 1 0.905 0.02 . 4 . . . . 4 VAL HG21 . 15871 1 34 . 1 1 4 4 VAL HG23 H 1 0.905 0.02 . 4 . . . . 4 VAL HG21 . 15871 1 35 . 1 1 4 4 VAL C C 13 174.220 0.2 . 1 . . . . 4 VAL C . 15871 1 36 . 1 1 4 4 VAL CA C 13 60.751 0.2 . 1 . . . . 4 VAL CA . 15871 1 37 . 1 1 4 4 VAL CB C 13 32.991 0.2 . 1 . . . . 4 VAL CB . 15871 1 38 . 1 1 4 4 VAL CG1 C 13 20.559 0.2 . 2 . . . . 4 VAL CG1 . 15871 1 39 . 1 1 4 4 VAL CG2 C 13 20.559 0.2 . 2 . . . . 4 VAL CG2 . 15871 1 40 . 1 1 4 4 VAL N N 15 122.040 0.2 . 1 . . . . 4 VAL N . 15871 1 41 . 1 1 5 5 ARG H H 1 8.362 0.02 . 1 . . . . 5 ARG HN . 15871 1 42 . 1 1 5 5 ARG HA H 1 5.007 0.02 . 1 . . . . 5 ARG HA . 15871 1 43 . 1 1 5 5 ARG HB2 H 1 1.785 0.02 . 2 . . . . 5 ARG HB1 . 15871 1 44 . 1 1 5 5 ARG HB3 H 1 1.836 0.02 . 2 . . . . 5 ARG HB2 . 15871 1 45 . 1 1 5 5 ARG HD2 H 1 3.207 0.02 . 2 . . . . 5 ARG HD1 . 15871 1 46 . 1 1 5 5 ARG HD3 H 1 3.207 0.02 . 2 . . . . 5 ARG HD2 . 15871 1 47 . 1 1 5 5 ARG HG2 H 1 1.696 0.02 . 2 . . . . 5 ARG HG1 . 15871 1 48 . 1 1 5 5 ARG HG3 H 1 1.520 0.02 . 2 . . . . 5 ARG HG2 . 15871 1 49 . 1 1 5 5 ARG C C 13 176.147 0.2 . 1 . . . . 5 ARG C . 15871 1 50 . 1 1 5 5 ARG CA C 13 54.283 0.2 . 1 . . . . 5 ARG CA . 15871 1 51 . 1 1 5 5 ARG CB C 13 30.252 0.2 . 1 . . . . 5 ARG CB . 15871 1 52 . 1 1 5 5 ARG CD C 13 42.206 0.2 . 1 . . . . 5 ARG CD . 15871 1 53 . 1 1 5 5 ARG CG C 13 26.727 0.2 . 1 . . . . 5 ARG CG . 15871 1 54 . 1 1 5 5 ARG N N 15 123.784 0.2 . 1 . . . . 5 ARG N . 15871 1 55 . 1 1 6 6 TRP H H 1 9.280 0.02 . 1 . . . . 6 TRP HN . 15871 1 56 . 1 1 6 6 TRP HA H 1 5.288 0.02 . 1 . . . . 6 TRP HA . 15871 1 57 . 1 1 6 6 TRP HB2 H 1 3.355 0.02 . 2 . . . . 6 TRP HB1 . 15871 1 58 . 1 1 6 6 TRP HB3 H 1 3.013 0.02 . 2 . . . . 6 TRP HB2 . 15871 1 59 . 1 1 6 6 TRP HD1 H 1 7.101 0.02 . 1 . . . . 6 TRP HD1 . 15871 1 60 . 1 1 6 6 TRP HE1 H 1 11.064 0.02 . 1 . . . . 6 TRP HE1 . 15871 1 61 . 1 1 6 6 TRP HE3 H 1 7.341 0.02 . 1 . . . . 6 TRP HE3 . 15871 1 62 . 1 1 6 6 TRP HH2 H 1 6.992 0.02 . 1 . . . . 6 TRP HH2 . 15871 1 63 . 1 1 6 6 TRP HZ2 H 1 7.355 0.02 . 1 . . . . 6 TRP HZ2 . 15871 1 64 . 1 1 6 6 TRP HZ3 H 1 6.856 0.02 . 1 . . . . 6 TRP HZ3 . 15871 1 65 . 1 1 6 6 TRP C C 13 174.848 0.2 . 1 . . . . 6 TRP C . 15871 1 66 . 1 1 6 6 TRP CA C 13 52.615 0.2 . 1 . . . . 6 TRP CA . 15871 1 67 . 1 1 6 6 TRP CB C 13 31.784 0.2 . 1 . . . . 6 TRP CB . 15871 1 68 . 1 1 6 6 TRP CD1 C 13 122.780 0.2 . 1 . . . . 6 TRP CD1 . 15871 1 69 . 1 1 6 6 TRP CE3 C 13 119.461 0.2 . 1 . . . . 6 TRP CE3 . 15871 1 70 . 1 1 6 6 TRP CH2 C 13 122.327 0.2 . 1 . . . . 6 TRP CH2 . 15871 1 71 . 1 1 6 6 TRP CZ2 C 13 112.830 0.2 . 1 . . . . 6 TRP CZ2 . 15871 1 72 . 1 1 6 6 TRP CZ3 C 13 119.806 0.2 . 1 . . . . 6 TRP CZ3 . 15871 1 73 . 1 1 6 6 TRP N N 15 125.440 0.2 . 1 . . . . 6 TRP N . 15871 1 74 . 1 1 6 6 TRP NE1 N 15 128.892 0.2 . 1 . . . . 6 TRP NE1 . 15871 1 75 . 1 1 7 7 ASN H H 1 8.740 0.02 . 1 . . . . 7 ASN HN . 15871 1 76 . 1 1 7 7 ASN HA H 1 5.764 0.02 . 1 . . . . 7 ASN HA . 15871 1 77 . 1 1 7 7 ASN HB2 H 1 2.772 0.02 . 2 . . . . 7 ASN HB1 . 15871 1 78 . 1 1 7 7 ASN HB3 H 1 2.878 0.02 . 2 . . . . 7 ASN HB2 . 15871 1 79 . 1 1 7 7 ASN C C 13 174.292 0.2 . 1 . . . . 7 ASN C . 15871 1 80 . 1 1 7 7 ASN CA C 13 51.873 0.2 . 1 . . . . 7 ASN CA . 15871 1 81 . 1 1 7 7 ASN CB C 13 39.153 0.2 . 1 . . . . 7 ASN CB . 15871 1 82 . 1 1 7 7 ASN N N 15 122.424 0.2 . 1 . . . . 7 ASN N . 15871 1 83 . 1 1 8 8 ILE H H 1 8.651 0.02 . 1 . . . . 8 ILE HN . 15871 1 84 . 1 1 8 8 ILE HA H 1 4.646 0.02 . 1 . . . . 8 ILE HA . 15871 1 85 . 1 1 8 8 ILE HB H 1 2.156 0.02 . 1 . . . . 8 ILE HB . 15871 1 86 . 1 1 8 8 ILE HD11 H 1 1.004 0.02 . 1 . . . . 8 ILE HD11 . 15871 1 87 . 1 1 8 8 ILE HD12 H 1 1.004 0.02 . 1 . . . . 8 ILE HD11 . 15871 1 88 . 1 1 8 8 ILE HD13 H 1 1.004 0.02 . 1 . . . . 8 ILE HD11 . 15871 1 89 . 1 1 8 8 ILE HG12 H 1 1.456 0.02 . 9 . . . . 8 ILE HG11 . 15871 1 90 . 1 1 8 8 ILE HG13 H 1 1.598 0.02 . 9 . . . . 8 ILE HG12 . 15871 1 91 . 1 1 8 8 ILE HG21 H 1 0.895 0.02 . 4 . . . . 8 ILE HG21 . 15871 1 92 . 1 1 8 8 ILE HG22 H 1 0.895 0.02 . 4 . . . . 8 ILE HG21 . 15871 1 93 . 1 1 8 8 ILE HG23 H 1 0.895 0.02 . 4 . . . . 8 ILE HG21 . 15871 1 94 . 1 1 8 8 ILE C C 13 173.365 0.2 . 1 . . . . 8 ILE C . 15871 1 95 . 1 1 8 8 ILE CA C 13 57.900 0.2 . 1 . . . . 8 ILE CA . 15871 1 96 . 1 1 8 8 ILE CB C 13 40.906 0.2 . 1 . . . . 8 ILE CB . 15871 1 97 . 1 1 8 8 ILE CD1 C 13 13.127 0.2 . 1 . . . . 8 ILE CD1 . 15871 1 98 . 1 1 8 8 ILE CG1 C 13 25.775 0.2 . 1 . . . . 8 ILE CG1 . 15871 1 99 . 1 1 8 8 ILE CG2 C 13 17.907 0.2 . 1 . . . . 8 ILE CG2 . 15871 1 100 . 1 1 8 8 ILE N N 15 120.153 0.2 . 1 . . . . 8 ILE N . 15871 1 101 . 1 1 9 9 ALA H H 1 8.325 0.02 . 1 . . . . 9 ALA HN . 15871 1 102 . 1 1 9 9 ALA HA H 1 5.145 0.02 . 1 . . . . 9 ALA HA . 15871 1 103 . 1 1 9 9 ALA HB1 H 1 1.230 0.02 . 1 . . . . 9 ALA HB1 . 15871 1 104 . 1 1 9 9 ALA HB2 H 1 1.230 0.02 . 1 . . . . 9 ALA HB1 . 15871 1 105 . 1 1 9 9 ALA HB3 H 1 1.230 0.02 . 1 . . . . 9 ALA HB1 . 15871 1 106 . 1 1 9 9 ALA C C 13 176.329 0.2 . 1 . . . . 9 ALA C . 15871 1 107 . 1 1 9 9 ALA CA C 13 49.936 0.2 . 1 . . . . 9 ALA CA . 15871 1 108 . 1 1 9 9 ALA CB C 13 19.493 0.2 . 1 . . . . 9 ALA CB . 15871 1 109 . 1 1 9 9 ALA N N 15 127.398 0.2 . 1 . . . . 9 ALA N . 15871 1 110 . 1 1 10 10 VAL H H 1 8.496 0.02 . 1 . . . . 10 VAL HN . 15871 1 111 . 1 1 10 10 VAL HA H 1 4.590 0.02 . 1 . . . . 10 VAL HA . 15871 1 112 . 1 1 10 10 VAL HB H 1 1.578 0.02 . 1 . . . . 10 VAL HB . 15871 1 113 . 1 1 10 10 VAL HG11 H 1 0.021 0.02 . 4 . . . . 10 VAL HG11 . 15871 1 114 . 1 1 10 10 VAL HG12 H 1 0.021 0.02 . 4 . . . . 10 VAL HG11 . 15871 1 115 . 1 1 10 10 VAL HG13 H 1 0.021 0.02 . 4 . . . . 10 VAL HG11 . 15871 1 116 . 1 1 10 10 VAL HG21 H 1 -0.329 0.02 . 4 . . . . 10 VAL HG21 . 15871 1 117 . 1 1 10 10 VAL HG22 H 1 -0.329 0.02 . 4 . . . . 10 VAL HG21 . 15871 1 118 . 1 1 10 10 VAL HG23 H 1 -0.329 0.02 . 4 . . . . 10 VAL HG21 . 15871 1 119 . 1 1 10 10 VAL C C 13 174.581 0.2 . 1 . . . . 10 VAL C . 15871 1 120 . 1 1 10 10 VAL CA C 13 57.766 0.2 . 1 . . . . 10 VAL CA . 15871 1 121 . 1 1 10 10 VAL CB C 13 35.193 0.2 . 1 . . . . 10 VAL CB . 15871 1 122 . 1 1 10 10 VAL CG1 C 13 19.632 0.2 . 2 . . . . 10 VAL CG1 . 15871 1 123 . 1 1 10 10 VAL CG2 C 13 16.001 0.2 . 2 . . . . 10 VAL CG2 . 15871 1 124 . 1 1 10 10 VAL N N 15 115.175 0.2 . 1 . . . . 10 VAL N . 15871 1 125 . 1 1 11 11 SER H H 1 8.590 0.02 . 1 . . . . 11 SER HN . 15871 1 126 . 1 1 11 11 SER HA H 1 4.712 0.02 . 1 . . . . 11 SER HA . 15871 1 127 . 1 1 11 11 SER HB2 H 1 4.009 0.02 . 2 . . . . 11 SER HB1 . 15871 1 128 . 1 1 11 11 SER HB3 H 1 4.128 0.02 . 2 . . . . 11 SER HB2 . 15871 1 129 . 1 1 11 11 SER C C 13 174.354 0.2 . 1 . . . . 11 SER C . 15871 1 130 . 1 1 11 11 SER CA C 13 56.534 0.2 . 1 . . . . 11 SER CA . 15871 1 131 . 1 1 11 11 SER CB C 13 62.382 0.2 . 1 . . . . 11 SER CB . 15871 1 132 . 1 1 11 11 SER N N 15 117.439 0.2 . 1 . . . . 11 SER N . 15871 1 133 . 1 1 12 12 PRO HA H 1 4.262 0.02 . 1 . . . . 12 PRO HA . 15871 1 134 . 1 1 12 12 PRO HB2 H 1 2.443 0.02 . 2 . . . . 12 PRO HB1 . 15871 1 135 . 1 1 12 12 PRO HB3 H 1 2.106 0.02 . 2 . . . . 12 PRO HB2 . 15871 1 136 . 1 1 12 12 PRO HD2 H 1 3.970 0.02 . 2 . . . . 12 PRO HD1 . 15871 1 137 . 1 1 12 12 PRO HD3 H 1 4.008 0.02 . 2 . . . . 12 PRO HD2 . 15871 1 138 . 1 1 12 12 PRO HG2 H 1 1.981 0.02 . 2 . . . . 12 PRO HG1 . 15871 1 139 . 1 1 12 12 PRO HG3 H 1 2.226 0.02 . 2 . . . . 12 PRO HG2 . 15871 1 140 . 1 1 12 12 PRO C C 13 178.404 0.2 . 1 . . . . 12 PRO C . 15871 1 141 . 1 1 12 12 PRO CA C 13 64.878 0.2 . 1 . . . . 12 PRO CA . 15871 1 142 . 1 1 12 12 PRO CB C 13 31.064 0.2 . 1 . . . . 12 PRO CB . 15871 1 143 . 1 1 12 12 PRO CD C 13 50.328 0.2 . 1 . . . . 12 PRO CD . 15871 1 144 . 1 1 12 12 PRO CG C 13 27.518 0.2 . 1 . . . . 12 PRO CG . 15871 1 145 . 1 1 13 13 ASP HA H 1 4.480 0.02 . 1 . . . . 13 ASP HA . 15871 1 146 . 1 1 13 13 ASP HB2 H 1 2.679 0.02 . 2 . . . . 13 ASP HB1 . 15871 1 147 . 1 1 13 13 ASP HB3 H 1 2.768 0.02 . 2 . . . . 13 ASP HB2 . 15871 1 148 . 1 1 13 13 ASP C C 13 178.698 0.2 . 1 . . . . 13 ASP C . 15871 1 149 . 1 1 13 13 ASP CA C 13 56.093 0.2 . 1 . . . . 13 ASP CA . 15871 1 150 . 1 1 13 13 ASP CB C 13 39.429 0.2 . 1 . . . . 13 ASP CB . 15871 1 151 . 1 1 14 14 VAL H H 1 7.338 0.02 . 1 . . . . 14 VAL HN . 15871 1 152 . 1 1 14 14 VAL HA H 1 3.757 0.02 . 1 . . . . 14 VAL HA . 15871 1 153 . 1 1 14 14 VAL HB H 1 2.182 0.02 . 1 . . . . 14 VAL HB . 15871 1 154 . 1 1 14 14 VAL HG11 H 1 1.041 0.02 . 4 . . . . 14 VAL HG11 . 15871 1 155 . 1 1 14 14 VAL HG12 H 1 1.041 0.02 . 4 . . . . 14 VAL HG11 . 15871 1 156 . 1 1 14 14 VAL HG13 H 1 1.041 0.02 . 4 . . . . 14 VAL HG11 . 15871 1 157 . 1 1 14 14 VAL HG21 H 1 0.979 0.02 . 4 . . . . 14 VAL HG21 . 15871 1 158 . 1 1 14 14 VAL HG22 H 1 0.979 0.02 . 4 . . . . 14 VAL HG21 . 15871 1 159 . 1 1 14 14 VAL HG23 H 1 0.979 0.02 . 4 . . . . 14 VAL HG21 . 15871 1 160 . 1 1 14 14 VAL C C 13 177.205 0.2 . 1 . . . . 14 VAL C . 15871 1 161 . 1 1 14 14 VAL CA C 13 65.534 0.2 . 1 . . . . 14 VAL CA . 15871 1 162 . 1 1 14 14 VAL CB C 13 30.773 0.2 . 1 . . . . 14 VAL CB . 15871 1 163 . 1 1 14 14 VAL CG1 C 13 22.712 0.2 . 2 . . . . 14 VAL CG1 . 15871 1 164 . 1 1 14 14 VAL CG2 C 13 20.500 0.2 . 2 . . . . 14 VAL CG2 . 15871 1 165 . 1 1 14 14 VAL N N 15 122.602 0.2 . 1 . . . . 14 VAL N . 15871 1 166 . 1 1 15 15 ASP H H 1 7.634 0.02 . 1 . . . . 15 ASP HN . 15871 1 167 . 1 1 15 15 ASP HA H 1 4.749 0.02 . 1 . . . . 15 ASP HA . 15871 1 168 . 1 1 15 15 ASP HB2 H 1 2.728 0.02 . 2 . . . . 15 ASP HB1 . 15871 1 169 . 1 1 15 15 ASP HB3 H 1 2.525 0.02 . 2 . . . . 15 ASP HB2 . 15871 1 170 . 1 1 15 15 ASP C C 13 177.109 0.2 . 1 . . . . 15 ASP C . 15871 1 171 . 1 1 15 15 ASP CA C 13 58.427 0.2 . 1 . . . . 15 ASP CA . 15871 1 172 . 1 1 15 15 ASP CB C 13 42.905 0.2 . 1 . . . . 15 ASP CB . 15871 1 173 . 1 1 15 15 ASP N N 15 118.513 0.2 . 1 . . . . 15 ASP N . 15871 1 174 . 1 1 16 16 GLN H H 1 8.414 0.02 . 1 . . . . 16 GLN HN . 15871 1 175 . 1 1 16 16 GLN HA H 1 4.082 0.02 . 1 . . . . 16 GLN HA . 15871 1 176 . 1 1 16 16 GLN HB2 H 1 2.322 0.02 . 2 . . . . 16 GLN HB1 . 15871 1 177 . 1 1 16 16 GLN HB3 H 1 2.254 0.02 . 2 . . . . 16 GLN HB2 . 15871 1 178 . 1 1 16 16 GLN HG2 H 1 2.543 0.02 . 2 . . . . 16 GLN HG1 . 15871 1 179 . 1 1 16 16 GLN HG3 H 1 2.543 0.02 . 2 . . . . 16 GLN HG2 . 15871 1 180 . 1 1 16 16 GLN C C 13 178.307 0.2 . 1 . . . . 16 GLN C . 15871 1 181 . 1 1 16 16 GLN CA C 13 58.838 0.2 . 1 . . . . 16 GLN CA . 15871 1 182 . 1 1 16 16 GLN CB C 13 27.785 0.2 . 1 . . . . 16 GLN CB . 15871 1 183 . 1 1 16 16 GLN CG C 13 33.276 0.2 . 1 . . . . 16 GLN CG . 15871 1 184 . 1 1 16 16 GLN N N 15 116.548 0.2 . 1 . . . . 16 GLN N . 15871 1 185 . 1 1 17 17 SER H H 1 8.051 0.02 . 1 . . . . 17 SER HN . 15871 1 186 . 1 1 17 17 SER HA H 1 4.326 0.02 . 1 . . . . 17 SER HA . 15871 1 187 . 1 1 17 17 SER HB2 H 1 3.976 0.02 . 2 . . . . 17 SER HB1 . 15871 1 188 . 1 1 17 17 SER HB3 H 1 4.054 0.02 . 2 . . . . 17 SER HB2 . 15871 1 189 . 1 1 17 17 SER C C 13 176.773 0.2 . 1 . . . . 17 SER C . 15871 1 190 . 1 1 17 17 SER CA C 13 61.932 0.2 . 1 . . . . 17 SER CA . 15871 1 191 . 1 1 17 17 SER CB C 13 62.838 0.2 . 1 . . . . 17 SER CB . 15871 1 192 . 1 1 17 17 SER N N 15 115.180 0.2 . 1 . . . . 17 SER N . 15871 1 193 . 1 1 18 18 VAL H H 1 8.509 0.02 . 1 . . . . 18 VAL HN . 15871 1 194 . 1 1 18 18 VAL HA H 1 3.441 0.02 . 1 . . . . 18 VAL HA . 15871 1 195 . 1 1 18 18 VAL HB H 1 2.387 0.02 . 1 . . . . 18 VAL HB . 15871 1 196 . 1 1 18 18 VAL HG11 H 1 0.478 0.02 . 4 . . . . 18 VAL HG11 . 15871 1 197 . 1 1 18 18 VAL HG12 H 1 0.478 0.02 . 4 . . . . 18 VAL HG11 . 15871 1 198 . 1 1 18 18 VAL HG13 H 1 0.478 0.02 . 4 . . . . 18 VAL HG11 . 15871 1 199 . 1 1 18 18 VAL HG21 H 1 1.307 0.02 . 4 . . . . 18 VAL HG21 . 15871 1 200 . 1 1 18 18 VAL HG22 H 1 1.307 0.02 . 4 . . . . 18 VAL HG21 . 15871 1 201 . 1 1 18 18 VAL HG23 H 1 1.307 0.02 . 4 . . . . 18 VAL HG21 . 15871 1 202 . 1 1 18 18 VAL C C 13 177.282 0.2 . 1 . . . . 18 VAL C . 15871 1 203 . 1 1 18 18 VAL CA C 13 66.524 0.2 . 1 . . . . 18 VAL CA . 15871 1 204 . 1 1 18 18 VAL CB C 13 31.234 0.2 . 1 . . . . 18 VAL CB . 15871 1 205 . 1 1 18 18 VAL CG1 C 13 20.820 0.2 . 2 . . . . 18 VAL CG1 . 15871 1 206 . 1 1 18 18 VAL CG2 C 13 25.260 0.2 . 2 . . . . 18 VAL CG2 . 15871 1 207 . 1 1 18 18 VAL N N 15 122.723 0.2 . 1 . . . . 18 VAL N . 15871 1 208 . 1 1 19 19 ARG H H 1 8.457 0.02 . 1 . . . . 19 ARG HN . 15871 1 209 . 1 1 19 19 ARG HA H 1 3.867 0.02 . 1 . . . . 19 ARG HA . 15871 1 210 . 1 1 19 19 ARG HB2 H 1 2.034 0.02 . 2 . . . . 19 ARG HB1 . 15871 1 211 . 1 1 19 19 ARG HB3 H 1 1.732 0.02 . 2 . . . . 19 ARG HB2 . 15871 1 212 . 1 1 19 19 ARG HD2 H 1 3.301 0.02 . 2 . . . . 19 ARG HD1 . 15871 1 213 . 1 1 19 19 ARG HD3 H 1 3.228 0.02 . 2 . . . . 19 ARG HD2 . 15871 1 214 . 1 1 19 19 ARG HG2 H 1 1.735 0.02 . 2 . . . . 19 ARG HG1 . 15871 1 215 . 1 1 19 19 ARG HG3 H 1 1.735 0.02 . 2 . . . . 19 ARG HG2 . 15871 1 216 . 1 1 19 19 ARG C C 13 179.861 0.2 . 1 . . . . 19 ARG C . 15871 1 217 . 1 1 19 19 ARG CA C 13 59.602 0.2 . 1 . . . . 19 ARG CA . 15871 1 218 . 1 1 19 19 ARG CB C 13 28.605 0.2 . 1 . . . . 19 ARG CB . 15871 1 219 . 1 1 19 19 ARG CD C 13 42.440 0.2 . 1 . . . . 19 ARG CD . 15871 1 220 . 1 1 19 19 ARG CG C 13 28.349 0.2 . 1 . . . . 19 ARG CG . 15871 1 221 . 1 1 19 19 ARG N N 15 118.336 0.2 . 1 . . . . 19 ARG N . 15871 1 222 . 1 1 20 20 MET H H 1 8.211 0.02 . 1 . . . . 20 MET HN . 15871 1 223 . 1 1 20 20 MET HA H 1 4.288 0.02 . 1 . . . . 20 MET HA . 15871 1 224 . 1 1 20 20 MET HB2 H 1 2.200 0.02 . 2 . . . . 20 MET HB1 . 15871 1 225 . 1 1 20 20 MET HB3 H 1 2.293 0.02 . 2 . . . . 20 MET HB2 . 15871 1 226 . 1 1 20 20 MET HG2 H 1 2.899 0.02 . 2 . . . . 20 MET HG1 . 15871 1 227 . 1 1 20 20 MET HG3 H 1 2.703 0.02 . 2 . . . . 20 MET HG2 . 15871 1 228 . 1 1 20 20 MET C C 13 178.078 0.2 . 1 . . . . 20 MET C . 15871 1 229 . 1 1 20 20 MET CA C 13 57.827 0.2 . 1 . . . . 20 MET CA . 15871 1 230 . 1 1 20 20 MET CB C 13 32.122 0.2 . 1 . . . . 20 MET CB . 15871 1 231 . 1 1 20 20 MET CG C 13 31.748 0.2 . 1 . . . . 20 MET CG . 15871 1 232 . 1 1 20 20 MET N N 15 117.292 0.2 . 1 . . . . 20 MET N . 15871 1 233 . 1 1 21 21 PHE H H 1 7.952 0.02 . 1 . . . . 21 PHE HN . 15871 1 234 . 1 1 21 21 PHE HA H 1 4.250 0.02 . 1 . . . . 21 PHE HA . 15871 1 235 . 1 1 21 21 PHE HB2 H 1 3.236 0.02 . 2 . . . . 21 PHE HB1 . 15871 1 236 . 1 1 21 21 PHE HB3 H 1 3.130 0.02 . 2 . . . . 21 PHE HB2 . 15871 1 237 . 1 1 21 21 PHE HD1 H 1 7.139 0.02 . 3 . . . . 21 PHE HD1 . 15871 1 238 . 1 1 21 21 PHE HD2 H 1 7.139 0.02 . 3 . . . . 21 PHE HD2 . 15871 1 239 . 1 1 21 21 PHE HE1 H 1 7.472 0.02 . 3 . . . . 21 PHE HE1 . 15871 1 240 . 1 1 21 21 PHE HE2 H 1 7.472 0.02 . 3 . . . . 21 PHE HE2 . 15871 1 241 . 1 1 21 21 PHE C C 13 177.801 0.2 . 1 . . . . 21 PHE C . 15871 1 242 . 1 1 21 21 PHE CA C 13 61.293 0.2 . 1 . . . . 21 PHE CA . 15871 1 243 . 1 1 21 21 PHE CB C 13 38.883 0.2 . 1 . . . . 21 PHE CB . 15871 1 244 . 1 1 21 21 PHE CD1 C 13 131.773 0.2 . 3 . . . . 21 PHE CD1 . 15871 1 245 . 1 1 21 21 PHE CD2 C 13 131.773 0.2 . 3 . . . . 21 PHE CD2 . 15871 1 246 . 1 1 21 21 PHE CE1 C 13 130.674 0.2 . 3 . . . . 21 PHE CE1 . 15871 1 247 . 1 1 21 21 PHE CE2 C 13 130.674 0.2 . 3 . . . . 21 PHE CE2 . 15871 1 248 . 1 1 21 21 PHE N N 15 121.968 0.2 . 1 . . . . 21 PHE N . 15871 1 249 . 1 1 22 22 ILE H H 1 8.554 0.02 . 1 . . . . 22 ILE HN . 15871 1 250 . 1 1 22 22 ILE HA H 1 3.672 0.02 . 1 . . . . 22 ILE HA . 15871 1 251 . 1 1 22 22 ILE HB H 1 1.843 0.02 . 1 . . . . 22 ILE HB . 15871 1 252 . 1 1 22 22 ILE HD11 H 1 0.590 0.02 . 1 . . . . 22 ILE HD11 . 15871 1 253 . 1 1 22 22 ILE HD12 H 1 0.590 0.02 . 1 . . . . 22 ILE HD11 . 15871 1 254 . 1 1 22 22 ILE HD13 H 1 0.590 0.02 . 1 . . . . 22 ILE HD11 . 15871 1 255 . 1 1 22 22 ILE HG12 H 1 1.172 0.02 . 9 . . . . 22 ILE HG11 . 15871 1 256 . 1 1 22 22 ILE HG13 H 1 1.564 0.02 . 9 . . . . 22 ILE HG12 . 15871 1 257 . 1 1 22 22 ILE HG21 H 1 0.860 0.02 . 4 . . . . 22 ILE HG21 . 15871 1 258 . 1 1 22 22 ILE HG22 H 1 0.860 0.02 . 4 . . . . 22 ILE HG21 . 15871 1 259 . 1 1 22 22 ILE HG23 H 1 0.860 0.02 . 4 . . . . 22 ILE HG21 . 15871 1 260 . 1 1 22 22 ILE C C 13 178.911 0.2 . 1 . . . . 22 ILE C . 15871 1 261 . 1 1 22 22 ILE CA C 13 64.287 0.2 . 1 . . . . 22 ILE CA . 15871 1 262 . 1 1 22 22 ILE CB C 13 37.389 0.2 . 1 . . . . 22 ILE CB . 15871 1 263 . 1 1 22 22 ILE CD1 C 13 12.861 0.2 . 1 . . . . 22 ILE CD1 . 15871 1 264 . 1 1 22 22 ILE CG1 C 13 27.533 0.2 . 1 . . . . 22 ILE CG1 . 15871 1 265 . 1 1 22 22 ILE CG2 C 13 16.611 0.2 . 1 . . . . 22 ILE CG2 . 15871 1 266 . 1 1 22 22 ILE N N 15 117.430 0.2 . 1 . . . . 22 ILE N . 15871 1 267 . 1 1 23 23 ALA H H 1 7.841 0.02 . 1 . . . . 23 ALA HN . 15871 1 268 . 1 1 23 23 ALA HA H 1 4.178 0.02 . 1 . . . . 23 ALA HA . 15871 1 269 . 1 1 23 23 ALA HB1 H 1 1.543 0.02 . 1 . . . . 23 ALA HB1 . 15871 1 270 . 1 1 23 23 ALA HB2 H 1 1.543 0.02 . 1 . . . . 23 ALA HB1 . 15871 1 271 . 1 1 23 23 ALA HB3 H 1 1.543 0.02 . 1 . . . . 23 ALA HB1 . 15871 1 272 . 1 1 23 23 ALA C C 13 179.832 0.2 . 1 . . . . 23 ALA C . 15871 1 273 . 1 1 23 23 ALA CA C 13 53.889 0.2 . 1 . . . . 23 ALA CA . 15871 1 274 . 1 1 23 23 ALA CB C 13 17.534 0.2 . 1 . . . . 23 ALA CB . 15871 1 275 . 1 1 23 23 ALA N N 15 121.959 0.2 . 1 . . . . 23 ALA N . 15871 1 276 . 1 1 24 24 ALA H H 1 7.656 0.02 . 1 . . . . 24 ALA HN . 15871 1 277 . 1 1 24 24 ALA HA H 1 4.262 0.02 . 1 . . . . 24 ALA HA . 15871 1 278 . 1 1 24 24 ALA HB1 H 1 1.476 0.02 . 1 . . . . 24 ALA HB1 . 15871 1 279 . 1 1 24 24 ALA HB2 H 1 1.476 0.02 . 1 . . . . 24 ALA HB1 . 15871 1 280 . 1 1 24 24 ALA HB3 H 1 1.476 0.02 . 1 . . . . 24 ALA HB1 . 15871 1 281 . 1 1 24 24 ALA C C 13 178.410 0.2 . 1 . . . . 24 ALA C . 15871 1 282 . 1 1 24 24 ALA CA C 13 52.944 0.2 . 1 . . . . 24 ALA CA . 15871 1 283 . 1 1 24 24 ALA CB C 13 17.744 0.2 . 1 . . . . 24 ALA CB . 15871 1 284 . 1 1 24 24 ALA N N 15 120.042 0.2 . 1 . . . . 24 ALA N . 15871 1 285 . 1 1 25 25 GLN H H 1 7.497 0.02 . 1 . . . . 25 GLN HN . 15871 1 286 . 1 1 25 25 GLN HA H 1 4.262 0.02 . 1 . . . . 25 GLN HA . 15871 1 287 . 1 1 25 25 GLN HB2 H 1 2.198 0.02 . 2 . . . . 25 GLN HB1 . 15871 1 288 . 1 1 25 25 GLN HB3 H 1 1.961 0.02 . 2 . . . . 25 GLN HB2 . 15871 1 289 . 1 1 25 25 GLN HG2 H 1 2.191 0.02 . 2 . . . . 25 GLN HG1 . 15871 1 290 . 1 1 25 25 GLN HG3 H 1 2.135 0.02 . 2 . . . . 25 GLN HG2 . 15871 1 291 . 1 1 25 25 GLN C C 13 176.585 0.2 . 1 . . . . 25 GLN C . 15871 1 292 . 1 1 25 25 GLN CA C 13 54.778 0.2 . 1 . . . . 25 GLN CA . 15871 1 293 . 1 1 25 25 GLN CB C 13 28.119 0.2 . 1 . . . . 25 GLN CB . 15871 1 294 . 1 1 25 25 GLN CG C 13 32.867 0.2 . 1 . . . . 25 GLN CG . 15871 1 295 . 1 1 25 25 GLN N N 15 115.454 0.2 . 1 . . . . 25 GLN N . 15871 1 296 . 1 1 26 26 GLY HA2 H 1 3.984 0.02 . 2 . . . . 26 GLY HA1 . 15871 1 297 . 1 1 26 26 GLY HA3 H 1 4.158 0.02 . 2 . . . . 26 GLY HA2 . 15871 1 298 . 1 1 26 26 GLY C C 13 174.597 0.2 . 1 . . . . 26 GLY C . 15871 1 299 . 1 1 26 26 GLY CA C 13 44.733 0.2 . 1 . . . . 26 GLY CA . 15871 1 300 . 1 1 27 27 GLY HA2 H 1 3.909 0.02 . 2 . . . . 27 GLY HA1 . 15871 1 301 . 1 1 27 27 GLY HA3 H 1 4.197 0.02 . 2 . . . . 27 GLY HA2 . 15871 1 302 . 1 1 27 27 GLY C C 13 174.282 0.2 . 1 . . . . 27 GLY C . 15871 1 303 . 1 1 27 27 GLY CA C 13 44.573 0.2 . 1 . . . . 27 GLY CA . 15871 1 304 . 1 1 28 28 GLY HA2 H 1 3.899 0.02 . 2 . . . . 28 GLY HA1 . 15871 1 305 . 1 1 28 28 GLY HA3 H 1 4.227 0.02 . 2 . . . . 28 GLY HA2 . 15871 1 306 . 1 1 28 28 GLY C C 13 174.301 0.2 . 1 . . . . 28 GLY C . 15871 1 307 . 1 1 28 28 GLY CA C 13 44.785 0.2 . 1 . . . . 28 GLY CA . 15871 1 308 . 1 1 29 29 ARG HA H 1 4.318 0.02 . 1 . . . . 29 ARG HA . 15871 1 309 . 1 1 29 29 ARG HB2 H 1 1.876 0.02 . 2 . . . . 29 ARG HB1 . 15871 1 310 . 1 1 29 29 ARG HB3 H 1 1.790 0.02 . 2 . . . . 29 ARG HB2 . 15871 1 311 . 1 1 29 29 ARG HD2 H 1 3.224 0.02 . 2 . . . . 29 ARG HD1 . 15871 1 312 . 1 1 29 29 ARG HD3 H 1 3.224 0.02 . 2 . . . . 29 ARG HD2 . 15871 1 313 . 1 1 29 29 ARG HG2 H 1 1.636 0.02 . 2 . . . . 29 ARG HG1 . 15871 1 314 . 1 1 29 29 ARG HG3 H 1 1.636 0.02 . 2 . . . . 29 ARG HG2 . 15871 1 315 . 1 1 29 29 ARG C C 13 176.657 0.2 . 1 . . . . 29 ARG C . 15871 1 316 . 1 1 29 29 ARG CA C 13 55.402 0.2 . 1 . . . . 29 ARG CA . 15871 1 317 . 1 1 29 29 ARG CB C 13 30.332 0.2 . 1 . . . . 29 ARG CB . 15871 1 318 . 1 1 29 29 ARG CD C 13 42.646 0.2 . 1 . . . . 29 ARG CD . 15871 1 319 . 1 1 29 29 ARG CG C 13 26.442 0.2 . 1 . . . . 29 ARG CG . 15871 1 320 . 1 1 30 30 LYS HA H 1 4.242 0.02 . 1 . . . . 30 LYS HA . 15871 1 321 . 1 1 30 30 LYS HB2 H 1 1.909 0.02 . 2 . . . . 30 LYS HB1 . 15871 1 322 . 1 1 30 30 LYS HB3 H 1 1.909 0.02 . 2 . . . . 30 LYS HB2 . 15871 1 323 . 1 1 30 30 LYS HD2 H 1 1.802 0.02 . 2 . . . . 30 LYS HD1 . 15871 1 324 . 1 1 30 30 LYS HD3 H 1 1.802 0.02 . 2 . . . . 30 LYS HD2 . 15871 1 325 . 1 1 30 30 LYS HE2 H 1 3.099 0.02 . 2 . . . . 30 LYS HE1 . 15871 1 326 . 1 1 30 30 LYS HE3 H 1 3.099 0.02 . 2 . . . . 30 LYS HE2 . 15871 1 327 . 1 1 30 30 LYS HG2 H 1 1.589 0.02 . 2 . . . . 30 LYS HG1 . 15871 1 328 . 1 1 30 30 LYS HG3 H 1 1.510 0.02 . 2 . . . . 30 LYS HG2 . 15871 1 329 . 1 1 30 30 LYS C C 13 177.594 0.2 . 1 . . . . 30 LYS C . 15871 1 330 . 1 1 30 30 LYS CA C 13 57.248 0.2 . 1 . . . . 30 LYS CA . 15871 1 331 . 1 1 30 30 LYS CB C 13 31.556 0.2 . 1 . . . . 30 LYS CB . 15871 1 332 . 1 1 30 30 LYS CD C 13 28.469 0.2 . 1 . . . . 30 LYS CD . 15871 1 333 . 1 1 30 30 LYS CE C 13 41.203 0.2 . 1 . . . . 30 LYS CE . 15871 1 334 . 1 1 30 30 LYS CG C 13 24.167 0.2 . 1 . . . . 30 LYS CG . 15871 1 335 . 1 1 31 31 GLY HA2 H 1 4.078 0.02 . 2 . . . . 31 GLY HA1 . 15871 1 336 . 1 1 31 31 GLY HA3 H 1 4.078 0.02 . 2 . . . . 31 GLY HA2 . 15871 1 337 . 1 1 31 31 GLY C C 13 174.105 0.2 . 1 . . . . 31 GLY C . 15871 1 338 . 1 1 31 31 GLY CA C 13 44.977 0.2 . 1 . . . . 31 GLY CA . 15871 1 339 . 1 1 32 32 ASP HA H 1 4.625 0.02 . 1 . . . . 32 ASP HA . 15871 1 340 . 1 1 32 32 ASP HB2 H 1 2.748 0.02 . 2 . . . . 32 ASP HB1 . 15871 1 341 . 1 1 32 32 ASP HB3 H 1 2.677 0.02 . 2 . . . . 32 ASP HB2 . 15871 1 342 . 1 1 32 32 ASP C C 13 177.411 0.2 . 1 . . . . 32 ASP C . 15871 1 343 . 1 1 32 32 ASP CA C 13 54.407 0.2 . 1 . . . . 32 ASP CA . 15871 1 344 . 1 1 32 32 ASP CB C 13 40.566 0.2 . 1 . . . . 32 ASP CB . 15871 1 345 . 1 1 33 33 LEU HA H 1 4.031 0.02 . 1 . . . . 33 LEU HA . 15871 1 346 . 1 1 33 33 LEU HB2 H 1 1.306 0.02 . 2 . . . . 33 LEU HB1 . 15871 1 347 . 1 1 33 33 LEU HB3 H 1 1.753 0.02 . 2 . . . . 33 LEU HB2 . 15871 1 348 . 1 1 33 33 LEU HD11 H 1 0.141 0.02 . 4 . . . . 33 LEU HD11 . 15871 1 349 . 1 1 33 33 LEU HD12 H 1 0.141 0.02 . 4 . . . . 33 LEU HD11 . 15871 1 350 . 1 1 33 33 LEU HD13 H 1 0.141 0.02 . 4 . . . . 33 LEU HD11 . 15871 1 351 . 1 1 33 33 LEU HD21 H 1 0.090 0.02 . 4 . . . . 33 LEU HD21 . 15871 1 352 . 1 1 33 33 LEU HD22 H 1 0.090 0.02 . 4 . . . . 33 LEU HD21 . 15871 1 353 . 1 1 33 33 LEU HD23 H 1 0.090 0.02 . 4 . . . . 33 LEU HD21 . 15871 1 354 . 1 1 33 33 LEU HG H 1 1.046 0.02 . 1 . . . . 33 LEU HG . 15871 1 355 . 1 1 33 33 LEU C C 13 177.751 0.2 . 1 . . . . 33 LEU C . 15871 1 356 . 1 1 33 33 LEU CA C 13 57.760 0.2 . 1 . . . . 33 LEU CA . 15871 1 357 . 1 1 33 33 LEU CB C 13 40.909 0.2 . 1 . . . . 33 LEU CB . 15871 1 358 . 1 1 33 33 LEU CD1 C 13 22.465 0.2 . 2 . . . . 33 LEU CD1 . 15871 1 359 . 1 1 33 33 LEU CD2 C 13 23.593 0.2 . 2 . . . . 33 LEU CD2 . 15871 1 360 . 1 1 33 33 LEU CG C 13 26.178 0.2 . 1 . . . . 33 LEU CG . 15871 1 361 . 1 1 34 34 SER H H 1 8.157 0.02 . 1 . . . . 34 SER HN . 15871 1 362 . 1 1 34 34 SER HA H 1 4.126 0.02 . 1 . . . . 34 SER HA . 15871 1 363 . 1 1 34 34 SER HB2 H 1 4.050 0.02 . 2 . . . . 34 SER HB1 . 15871 1 364 . 1 1 34 34 SER HB3 H 1 4.000 0.02 . 2 . . . . 34 SER HB2 . 15871 1 365 . 1 1 34 34 SER C C 13 175.357 0.2 . 1 . . . . 34 SER C . 15871 1 366 . 1 1 34 34 SER CA C 13 63.013 0.2 . 1 . . . . 34 SER CA . 15871 1 367 . 1 1 34 34 SER CB C 13 61.473 0.2 . 1 . . . . 34 SER CB . 15871 1 368 . 1 1 34 34 SER N N 15 114.275 0.2 . 1 . . . . 34 SER N . 15871 1 369 . 1 1 35 35 ARG H H 1 7.786 0.02 . 1 . . . . 35 ARG HN . 15871 1 370 . 1 1 35 35 ARG HA H 1 4.132 0.02 . 1 . . . . 35 ARG HA . 15871 1 371 . 1 1 35 35 ARG HB2 H 1 1.997 0.02 . 2 . . . . 35 ARG HB1 . 15871 1 372 . 1 1 35 35 ARG HB3 H 1 1.997 0.02 . 2 . . . . 35 ARG HB2 . 15871 1 373 . 1 1 35 35 ARG HD2 H 1 3.326 0.02 . 2 . . . . 35 ARG HD1 . 15871 1 374 . 1 1 35 35 ARG HD3 H 1 3.326 0.02 . 2 . . . . 35 ARG HD2 . 15871 1 375 . 1 1 35 35 ARG HG2 H 1 1.801 0.02 . 2 . . . . 35 ARG HG1 . 15871 1 376 . 1 1 35 35 ARG HG3 H 1 1.801 0.02 . 2 . . . . 35 ARG HG2 . 15871 1 377 . 1 1 35 35 ARG C C 13 177.808 0.2 . 1 . . . . 35 ARG C . 15871 1 378 . 1 1 35 35 ARG CA C 13 58.230 0.2 . 1 . . . . 35 ARG CA . 15871 1 379 . 1 1 35 35 ARG CB C 13 29.446 0.2 . 1 . . . . 35 ARG CB . 15871 1 380 . 1 1 35 35 ARG CD C 13 42.477 0.2 . 1 . . . . 35 ARG CD . 15871 1 381 . 1 1 35 35 ARG CG C 13 26.787 0.2 . 1 . . . . 35 ARG CG . 15871 1 382 . 1 1 35 35 ARG N N 15 120.562 0.2 . 1 . . . . 35 ARG N . 15871 1 383 . 1 1 36 36 PHE H H 1 7.804 0.02 . 1 . . . . 36 PHE HN . 15871 1 384 . 1 1 36 36 PHE HA H 1 4.266 0.02 . 1 . . . . 36 PHE HA . 15871 1 385 . 1 1 36 36 PHE HB2 H 1 3.304 0.02 . 2 . . . . 36 PHE HB1 . 15871 1 386 . 1 1 36 36 PHE HB3 H 1 3.247 0.02 . 2 . . . . 36 PHE HB2 . 15871 1 387 . 1 1 36 36 PHE HD1 H 1 7.277 0.02 . 3 . . . . 36 PHE HD1 . 15871 1 388 . 1 1 36 36 PHE HD2 H 1 7.277 0.02 . 3 . . . . 36 PHE HD2 . 15871 1 389 . 1 1 36 36 PHE HE1 H 1 7.053 0.02 . 3 . . . . 36 PHE HE1 . 15871 1 390 . 1 1 36 36 PHE HE2 H 1 7.053 0.02 . 3 . . . . 36 PHE HE2 . 15871 1 391 . 1 1 36 36 PHE HZ H 1 6.931 0.02 . 1 . . . . 36 PHE HZ . 15871 1 392 . 1 1 36 36 PHE C C 13 176.191 0.2 . 1 . . . . 36 PHE C . 15871 1 393 . 1 1 36 36 PHE CA C 13 60.734 0.2 . 1 . . . . 36 PHE CA . 15871 1 394 . 1 1 36 36 PHE CB C 13 38.395 0.2 . 1 . . . . 36 PHE CB . 15871 1 395 . 1 1 36 36 PHE CD1 C 13 131.421 0.2 . 3 . . . . 36 PHE CD1 . 15871 1 396 . 1 1 36 36 PHE CD2 C 13 131.421 0.2 . 3 . . . . 36 PHE CD2 . 15871 1 397 . 1 1 36 36 PHE CE1 C 13 130.633 0.2 . 3 . . . . 36 PHE CE1 . 15871 1 398 . 1 1 36 36 PHE CE2 C 13 130.633 0.2 . 3 . . . . 36 PHE CE2 . 15871 1 399 . 1 1 36 36 PHE CZ C 13 127.149 0.2 . 1 . . . . 36 PHE CZ . 15871 1 400 . 1 1 36 36 PHE N N 15 118.988 0.2 . 1 . . . . 36 PHE N . 15871 1 401 . 1 1 37 37 ILE H H 1 8.367 0.02 . 1 . . . . 37 ILE HN . 15871 1 402 . 1 1 37 37 ILE HA H 1 3.475 0.02 . 1 . . . . 37 ILE HA . 15871 1 403 . 1 1 37 37 ILE HB H 1 2.174 0.02 . 1 . . . . 37 ILE HB . 15871 1 404 . 1 1 37 37 ILE HD11 H 1 0.766 0.02 . 1 . . . . 37 ILE HD11 . 15871 1 405 . 1 1 37 37 ILE HD12 H 1 0.766 0.02 . 1 . . . . 37 ILE HD11 . 15871 1 406 . 1 1 37 37 ILE HD13 H 1 0.766 0.02 . 1 . . . . 37 ILE HD11 . 15871 1 407 . 1 1 37 37 ILE HG12 H 1 1.433 0.02 . 9 . . . . 37 ILE HG11 . 15871 1 408 . 1 1 37 37 ILE HG13 H 1 1.673 0.02 . 9 . . . . 37 ILE HG12 . 15871 1 409 . 1 1 37 37 ILE HG21 H 1 1.083 0.02 . 4 . . . . 37 ILE HG21 . 15871 1 410 . 1 1 37 37 ILE HG22 H 1 1.083 0.02 . 4 . . . . 37 ILE HG21 . 15871 1 411 . 1 1 37 37 ILE HG23 H 1 1.083 0.02 . 4 . . . . 37 ILE HG21 . 15871 1 412 . 1 1 37 37 ILE C C 13 177.625 0.2 . 1 . . . . 37 ILE C . 15871 1 413 . 1 1 37 37 ILE CA C 13 62.113 0.2 . 1 . . . . 37 ILE CA . 15871 1 414 . 1 1 37 37 ILE CB C 13 34.877 0.2 . 1 . . . . 37 ILE CB . 15871 1 415 . 1 1 37 37 ILE CD1 C 13 11.441 0.2 . 1 . . . . 37 ILE CD1 . 15871 1 416 . 1 1 37 37 ILE CG1 C 13 27.527 0.2 . 1 . . . . 37 ILE CG1 . 15871 1 417 . 1 1 37 37 ILE CG2 C 13 17.794 0.2 . 1 . . . . 37 ILE CG2 . 15871 1 418 . 1 1 37 37 ILE N N 15 118.200 0.2 . 1 . . . . 37 ILE N . 15871 1 419 . 1 1 38 38 GLU H H 1 8.327 0.02 . 1 . . . . 38 GLU HN . 15871 1 420 . 1 1 38 38 GLU HA H 1 3.721 0.02 . 1 . . . . 38 GLU HA . 15871 1 421 . 1 1 38 38 GLU HB2 H 1 2.112 0.02 . 2 . . . . 38 GLU HB1 . 15871 1 422 . 1 1 38 38 GLU HB3 H 1 2.279 0.02 . 2 . . . . 38 GLU HB2 . 15871 1 423 . 1 1 38 38 GLU HG2 H 1 2.130 0.02 . 2 . . . . 38 GLU HG1 . 15871 1 424 . 1 1 38 38 GLU HG3 H 1 2.503 0.02 . 2 . . . . 38 GLU HG2 . 15871 1 425 . 1 1 38 38 GLU C C 13 178.121 0.2 . 1 . . . . 38 GLU C . 15871 1 426 . 1 1 38 38 GLU CA C 13 60.741 0.2 . 1 . . . . 38 GLU CA . 15871 1 427 . 1 1 38 38 GLU CB C 13 28.776 0.2 . 1 . . . . 38 GLU CB . 15871 1 428 . 1 1 38 38 GLU CG C 13 37.240 0.2 . 1 . . . . 38 GLU CG . 15871 1 429 . 1 1 38 38 GLU N N 15 119.678 0.2 . 1 . . . . 38 GLU N . 15871 1 430 . 1 1 39 39 ASP H H 1 8.099 0.02 . 1 . . . . 39 ASP HN . 15871 1 431 . 1 1 39 39 ASP HA H 1 4.294 0.02 . 1 . . . . 39 ASP HA . 15871 1 432 . 1 1 39 39 ASP HB2 H 1 2.414 0.02 . 2 . . . . 39 ASP HB1 . 15871 1 433 . 1 1 39 39 ASP HB3 H 1 2.745 0.02 . 2 . . . . 39 ASP HB2 . 15871 1 434 . 1 1 39 39 ASP C C 13 178.959 0.2 . 1 . . . . 39 ASP C . 15871 1 435 . 1 1 39 39 ASP CA C 13 56.833 0.2 . 1 . . . . 39 ASP CA . 15871 1 436 . 1 1 39 39 ASP CB C 13 38.871 0.2 . 1 . . . . 39 ASP CB . 15871 1 437 . 1 1 39 39 ASP N N 15 118.952 0.2 . 1 . . . . 39 ASP N . 15871 1 438 . 1 1 40 40 ALA H H 1 8.135 0.02 . 1 . . . . 40 ALA HN . 15871 1 439 . 1 1 40 40 ALA HA H 1 3.273 0.02 . 1 . . . . 40 ALA HA . 15871 1 440 . 1 1 40 40 ALA HB1 H 1 0.742 0.02 . 1 . . . . 40 ALA HB1 . 15871 1 441 . 1 1 40 40 ALA HB2 H 1 0.742 0.02 . 1 . . . . 40 ALA HB1 . 15871 1 442 . 1 1 40 40 ALA HB3 H 1 0.742 0.02 . 1 . . . . 40 ALA HB1 . 15871 1 443 . 1 1 40 40 ALA C C 13 180.790 0.2 . 1 . . . . 40 ALA C . 15871 1 444 . 1 1 40 40 ALA CA C 13 53.910 0.2 . 1 . . . . 40 ALA CA . 15871 1 445 . 1 1 40 40 ALA CB C 13 16.343 0.2 . 1 . . . . 40 ALA CB . 15871 1 446 . 1 1 40 40 ALA N N 15 122.863 0.2 . 1 . . . . 40 ALA N . 15871 1 447 . 1 1 41 41 VAL H H 1 8.893 0.02 . 1 . . . . 41 VAL HN . 15871 1 448 . 1 1 41 41 VAL HA H 1 3.554 0.02 . 1 . . . . 41 VAL HA . 15871 1 449 . 1 1 41 41 VAL HB H 1 2.375 0.02 . 1 . . . . 41 VAL HB . 15871 1 450 . 1 1 41 41 VAL HG11 H 1 1.252 0.02 . 4 . . . . 41 VAL HG11 . 15871 1 451 . 1 1 41 41 VAL HG12 H 1 1.252 0.02 . 4 . . . . 41 VAL HG11 . 15871 1 452 . 1 1 41 41 VAL HG13 H 1 1.252 0.02 . 4 . . . . 41 VAL HG11 . 15871 1 453 . 1 1 41 41 VAL HG21 H 1 1.161 0.02 . 4 . . . . 41 VAL HG21 . 15871 1 454 . 1 1 41 41 VAL HG22 H 1 1.161 0.02 . 4 . . . . 41 VAL HG21 . 15871 1 455 . 1 1 41 41 VAL HG23 H 1 1.161 0.02 . 4 . . . . 41 VAL HG21 . 15871 1 456 . 1 1 41 41 VAL C C 13 177.381 0.2 . 1 . . . . 41 VAL C . 15871 1 457 . 1 1 41 41 VAL CA C 13 66.399 0.2 . 1 . . . . 41 VAL CA . 15871 1 458 . 1 1 41 41 VAL CB C 13 30.797 0.2 . 1 . . . . 41 VAL CB . 15871 1 459 . 1 1 41 41 VAL CG1 C 13 23.467 0.2 . 2 . . . . 41 VAL CG1 . 15871 1 460 . 1 1 41 41 VAL CG2 C 13 22.235 0.2 . 2 . . . . 41 VAL CG2 . 15871 1 461 . 1 1 41 41 VAL N N 15 119.267 0.2 . 1 . . . . 41 VAL N . 15871 1 462 . 1 1 42 42 ARG H H 1 8.616 0.02 . 1 . . . . 42 ARG HN . 15871 1 463 . 1 1 42 42 ARG HA H 1 3.982 0.02 . 1 . . . . 42 ARG HA . 15871 1 464 . 1 1 42 42 ARG HB2 H 1 1.885 0.02 . 2 . . . . 42 ARG HB1 . 15871 1 465 . 1 1 42 42 ARG HB3 H 1 1.885 0.02 . 2 . . . . 42 ARG HB2 . 15871 1 466 . 1 1 42 42 ARG HD2 H 1 3.295 0.02 . 2 . . . . 42 ARG HD1 . 15871 1 467 . 1 1 42 42 ARG HD3 H 1 3.295 0.02 . 2 . . . . 42 ARG HD2 . 15871 1 468 . 1 1 42 42 ARG HG2 H 1 1.651 0.02 . 2 . . . . 42 ARG HG1 . 15871 1 469 . 1 1 42 42 ARG HG3 H 1 1.979 0.02 . 2 . . . . 42 ARG HG2 . 15871 1 470 . 1 1 42 42 ARG C C 13 179.242 0.2 . 1 . . . . 42 ARG C . 15871 1 471 . 1 1 42 42 ARG CA C 13 60.038 0.2 . 1 . . . . 42 ARG CA . 15871 1 472 . 1 1 42 42 ARG CB C 13 29.452 0.2 . 1 . . . . 42 ARG CB . 15871 1 473 . 1 1 42 42 ARG CD C 13 42.490 0.2 . 1 . . . . 42 ARG CD . 15871 1 474 . 1 1 42 42 ARG CG C 13 28.452 0.2 . 1 . . . . 42 ARG CG . 15871 1 475 . 1 1 42 42 ARG N N 15 119.236 0.2 . 1 . . . . 42 ARG N . 15871 1 476 . 1 1 43 43 ALA H H 1 7.857 0.02 . 1 . . . . 43 ALA HN . 15871 1 477 . 1 1 43 43 ALA HA H 1 4.314 0.02 . 1 . . . . 43 ALA HA . 15871 1 478 . 1 1 43 43 ALA HB1 H 1 1.720 0.02 . 1 . . . . 43 ALA HB1 . 15871 1 479 . 1 1 43 43 ALA HB2 H 1 1.720 0.02 . 1 . . . . 43 ALA HB1 . 15871 1 480 . 1 1 43 43 ALA HB3 H 1 1.720 0.02 . 1 . . . . 43 ALA HB1 . 15871 1 481 . 1 1 43 43 ALA C C 13 179.267 0.2 . 1 . . . . 43 ALA C . 15871 1 482 . 1 1 43 43 ALA CA C 13 54.383 0.2 . 1 . . . . 43 ALA CA . 15871 1 483 . 1 1 43 43 ALA CB C 13 17.676 0.2 . 1 . . . . 43 ALA CB . 15871 1 484 . 1 1 43 43 ALA N N 15 119.722 0.2 . 1 . . . . 43 ALA N . 15871 1 485 . 1 1 44 44 TYR H H 1 7.953 0.02 . 1 . . . . 44 TYR HN . 15871 1 486 . 1 1 44 44 TYR HA H 1 4.281 0.02 . 1 . . . . 44 TYR HA . 15871 1 487 . 1 1 44 44 TYR HB2 H 1 3.510 0.02 . 2 . . . . 44 TYR HB1 . 15871 1 488 . 1 1 44 44 TYR HB3 H 1 2.898 0.02 . 2 . . . . 44 TYR HB2 . 15871 1 489 . 1 1 44 44 TYR HD1 H 1 6.821 0.02 . 3 . . . . 44 TYR HD1 . 15871 1 490 . 1 1 44 44 TYR HD2 H 1 6.821 0.02 . 3 . . . . 44 TYR HD2 . 15871 1 491 . 1 1 44 44 TYR HE1 H 1 6.616 0.02 . 3 . . . . 44 TYR HE1 . 15871 1 492 . 1 1 44 44 TYR HE2 H 1 6.616 0.02 . 3 . . . . 44 TYR HE2 . 15871 1 493 . 1 1 44 44 TYR C C 13 177.760 0.2 . 1 . . . . 44 TYR C . 15871 1 494 . 1 1 44 44 TYR CA C 13 60.632 0.2 . 1 . . . . 44 TYR CA . 15871 1 495 . 1 1 44 44 TYR CB C 13 38.807 0.2 . 1 . . . . 44 TYR CB . 15871 1 496 . 1 1 44 44 TYR CD1 C 13 132.002 0.2 . 3 . . . . 44 TYR CD1 . 15871 1 497 . 1 1 44 44 TYR CD2 C 13 132.002 0.2 . 3 . . . . 44 TYR CD2 . 15871 1 498 . 1 1 44 44 TYR CE1 C 13 117.336 0.2 . 3 . . . . 44 TYR CE1 . 15871 1 499 . 1 1 44 44 TYR CE2 C 13 117.336 0.2 . 3 . . . . 44 TYR CE2 . 15871 1 500 . 1 1 44 44 TYR N N 15 119.887 0.2 . 1 . . . . 44 TYR N . 15871 1 501 . 1 1 45 45 LEU H H 1 8.476 0.02 . 1 . . . . 45 LEU HN . 15871 1 502 . 1 1 45 45 LEU HA H 1 3.875 0.02 . 1 . . . . 45 LEU HA . 15871 1 503 . 1 1 45 45 LEU HB2 H 1 1.887 0.02 . 2 . . . . 45 LEU HB1 . 15871 1 504 . 1 1 45 45 LEU HB3 H 1 1.458 0.02 . 2 . . . . 45 LEU HB2 . 15871 1 505 . 1 1 45 45 LEU HD11 H 1 0.584 0.02 . 4 . . . . 45 LEU HD11 . 15871 1 506 . 1 1 45 45 LEU HD12 H 1 0.584 0.02 . 4 . . . . 45 LEU HD11 . 15871 1 507 . 1 1 45 45 LEU HD13 H 1 0.584 0.02 . 4 . . . . 45 LEU HD11 . 15871 1 508 . 1 1 45 45 LEU HD21 H 1 0.862 0.02 . 4 . . . . 45 LEU HD21 . 15871 1 509 . 1 1 45 45 LEU HD22 H 1 0.862 0.02 . 4 . . . . 45 LEU HD21 . 15871 1 510 . 1 1 45 45 LEU HD23 H 1 0.862 0.02 . 4 . . . . 45 LEU HD21 . 15871 1 511 . 1 1 45 45 LEU HG H 1 1.981 0.02 . 1 . . . . 45 LEU HG . 15871 1 512 . 1 1 45 45 LEU C C 13 179.166 0.2 . 1 . . . . 45 LEU C . 15871 1 513 . 1 1 45 45 LEU CA C 13 56.496 0.2 . 1 . . . . 45 LEU CA . 15871 1 514 . 1 1 45 45 LEU CB C 13 41.255 0.2 . 1 . . . . 45 LEU CB . 15871 1 515 . 1 1 45 45 LEU CD1 C 13 22.276 0.2 . 2 . . . . 45 LEU CD1 . 15871 1 516 . 1 1 45 45 LEU CD2 C 13 25.433 0.2 . 2 . . . . 45 LEU CD2 . 15871 1 517 . 1 1 45 45 LEU CG C 13 26.480 0.2 . 1 . . . . 45 LEU CG . 15871 1 518 . 1 1 45 45 LEU N N 15 116.070 0.2 . 1 . . . . 45 LEU N . 15871 1 519 . 1 1 46 46 PHE H H 1 8.008 0.02 . 1 . . . . 46 PHE HN . 15871 1 520 . 1 1 46 46 PHE HA H 1 4.446 0.02 . 1 . . . . 46 PHE HA . 15871 1 521 . 1 1 46 46 PHE HB2 H 1 3.295 0.02 . 2 . . . . 46 PHE HB1 . 15871 1 522 . 1 1 46 46 PHE HB3 H 1 3.353 0.02 . 2 . . . . 46 PHE HB2 . 15871 1 523 . 1 1 46 46 PHE HD1 H 1 7.367 0.02 . 3 . . . . 46 PHE HD1 . 15871 1 524 . 1 1 46 46 PHE HD2 H 1 7.367 0.02 . 3 . . . . 46 PHE HD2 . 15871 1 525 . 1 1 46 46 PHE HE1 H 1 7.416 0.02 . 3 . . . . 46 PHE HE1 . 15871 1 526 . 1 1 46 46 PHE HE2 H 1 7.416 0.02 . 3 . . . . 46 PHE HE2 . 15871 1 527 . 1 1 46 46 PHE HZ H 1 7.362 0.02 . 1 . . . . 46 PHE HZ . 15871 1 528 . 1 1 46 46 PHE C C 13 177.054 0.2 . 1 . . . . 46 PHE C . 15871 1 529 . 1 1 46 46 PHE CA C 13 60.103 0.2 . 1 . . . . 46 PHE CA . 15871 1 530 . 1 1 46 46 PHE CB C 13 38.293 0.2 . 1 . . . . 46 PHE CB . 15871 1 531 . 1 1 46 46 PHE CD1 C 13 131.279 0.2 . 3 . . . . 46 PHE CD1 . 15871 1 532 . 1 1 46 46 PHE CD2 C 13 131.279 0.2 . 3 . . . . 46 PHE CD2 . 15871 1 533 . 1 1 46 46 PHE CE1 C 13 130.805 0.2 . 3 . . . . 46 PHE CE1 . 15871 1 534 . 1 1 46 46 PHE CE2 C 13 130.805 0.2 . 3 . . . . 46 PHE CE2 . 15871 1 535 . 1 1 46 46 PHE CZ C 13 129.268 0.2 . 1 . . . . 46 PHE CZ . 15871 1 536 . 1 1 46 46 PHE N N 15 119.394 0.2 . 1 . . . . 46 PHE N . 15871 1 537 . 1 1 47 47 GLU H H 1 7.974 0.02 . 1 . . . . 47 GLU HN . 15871 1 538 . 1 1 47 47 GLU HA H 1 4.105 0.02 . 1 . . . . 47 GLU HA . 15871 1 539 . 1 1 47 47 GLU HB2 H 1 2.161 0.02 . 2 . . . . 47 GLU HB1 . 15871 1 540 . 1 1 47 47 GLU HB3 H 1 2.161 0.02 . 2 . . . . 47 GLU HB2 . 15871 1 541 . 1 1 47 47 GLU HG2 H 1 2.332 0.02 . 2 . . . . 47 GLU HG1 . 15871 1 542 . 1 1 47 47 GLU HG3 H 1 2.413 0.02 . 2 . . . . 47 GLU HG2 . 15871 1 543 . 1 1 47 47 GLU C C 13 178.174 0.2 . 1 . . . . 47 GLU C . 15871 1 544 . 1 1 47 47 GLU CA C 13 57.765 0.2 . 1 . . . . 47 GLU CA . 15871 1 545 . 1 1 47 47 GLU CB C 13 28.914 0.2 . 1 . . . . 47 GLU CB . 15871 1 546 . 1 1 47 47 GLU CG C 13 35.741 0.2 . 1 . . . . 47 GLU CG . 15871 1 547 . 1 1 47 47 GLU N N 15 118.096 0.2 . 1 . . . . 47 GLU N . 15871 1 548 . 1 1 48 48 ARG H H 1 7.881 0.02 . 1 . . . . 48 ARG HN . 15871 1 549 . 1 1 48 48 ARG HA H 1 4.329 0.02 . 1 . . . . 48 ARG HA . 15871 1 550 . 1 1 48 48 ARG HB2 H 1 1.797 0.02 . 2 . . . . 48 ARG HB1 . 15871 1 551 . 1 1 48 48 ARG HB3 H 1 1.876 0.02 . 2 . . . . 48 ARG HB2 . 15871 1 552 . 1 1 48 48 ARG HD2 H 1 3.211 0.02 . 2 . . . . 48 ARG HD1 . 15871 1 553 . 1 1 48 48 ARG HD3 H 1 3.211 0.02 . 2 . . . . 48 ARG HD2 . 15871 1 554 . 1 1 48 48 ARG HG2 H 1 1.705 0.02 . 2 . . . . 48 ARG HG1 . 15871 1 555 . 1 1 48 48 ARG HG3 H 1 1.705 0.02 . 2 . . . . 48 ARG HG2 . 15871 1 556 . 1 1 48 48 ARG C C 13 177.379 0.2 . 1 . . . . 48 ARG C . 15871 1 557 . 1 1 48 48 ARG CA C 13 55.824 0.2 . 1 . . . . 48 ARG CA . 15871 1 558 . 1 1 48 48 ARG CB C 13 30.378 0.2 . 1 . . . . 48 ARG CB . 15871 1 559 . 1 1 48 48 ARG CD C 13 42.212 0.2 . 1 . . . . 48 ARG CD . 15871 1 560 . 1 1 48 48 ARG CG C 13 26.745 0.2 . 1 . . . . 48 ARG CG . 15871 1 561 . 1 1 48 48 ARG N N 15 117.089 0.2 . 1 . . . . 48 ARG N . 15871 1 562 . 1 1 49 49 ALA H H 1 7.993 0.02 . 1 . . . . 49 ALA HN . 15871 1 563 . 1 1 49 49 ALA HA H 1 4.339 0.02 . 1 . . . . 49 ALA HA . 15871 1 564 . 1 1 49 49 ALA HB1 H 1 1.517 0.02 . 1 . . . . 49 ALA HB1 . 15871 1 565 . 1 1 49 49 ALA HB2 H 1 1.517 0.02 . 1 . . . . 49 ALA HB1 . 15871 1 566 . 1 1 49 49 ALA HB3 H 1 1.517 0.02 . 1 . . . . 49 ALA HB1 . 15871 1 567 . 1 1 49 49 ALA C C 13 178.996 0.2 . 1 . . . . 49 ALA C . 15871 1 568 . 1 1 49 49 ALA CA C 13 53.274 0.2 . 1 . . . . 49 ALA CA . 15871 1 569 . 1 1 49 49 ALA CB C 13 17.878 0.2 . 1 . . . . 49 ALA CB . 15871 1 570 . 1 1 49 49 ALA N N 15 122.863 0.2 . 1 . . . . 49 ALA N . 15871 1 571 . 1 1 50 50 VAL H H 1 7.898 0.02 . 1 . . . . 50 VAL HN . 15871 1 572 . 1 1 50 50 VAL HA H 1 3.893 0.02 . 1 . . . . 50 VAL HA . 15871 1 573 . 1 1 50 50 VAL HB H 1 2.110 0.02 . 1 . . . . 50 VAL HB . 15871 1 574 . 1 1 50 50 VAL HG11 H 1 0.933 0.02 . 4 . . . . 50 VAL HG11 . 15871 1 575 . 1 1 50 50 VAL HG12 H 1 0.933 0.02 . 4 . . . . 50 VAL HG11 . 15871 1 576 . 1 1 50 50 VAL HG13 H 1 0.933 0.02 . 4 . . . . 50 VAL HG11 . 15871 1 577 . 1 1 50 50 VAL HG21 H 1 0.879 0.02 . 4 . . . . 50 VAL HG21 . 15871 1 578 . 1 1 50 50 VAL HG22 H 1 0.879 0.02 . 4 . . . . 50 VAL HG21 . 15871 1 579 . 1 1 50 50 VAL HG23 H 1 0.879 0.02 . 4 . . . . 50 VAL HG21 . 15871 1 580 . 1 1 50 50 VAL C C 13 177.282 0.2 . 1 . . . . 50 VAL C . 15871 1 581 . 1 1 50 50 VAL CA C 13 63.716 0.2 . 1 . . . . 50 VAL CA . 15871 1 582 . 1 1 50 50 VAL CB C 13 31.377 0.2 . 1 . . . . 50 VAL CB . 15871 1 583 . 1 1 50 50 VAL CG1 C 13 20.614 0.2 . 2 . . . . 50 VAL CG1 . 15871 1 584 . 1 1 50 50 VAL CG2 C 13 21.000 0.2 . 2 . . . . 50 VAL CG2 . 15871 1 585 . 1 1 50 50 VAL N N 15 118.771 0.2 . 1 . . . . 50 VAL N . 15871 1 586 . 1 1 51 51 GLU HA H 1 4.141 0.02 . 1 . . . . 51 GLU HA . 15871 1 587 . 1 1 51 51 GLU HB2 H 1 2.151 0.02 . 2 . . . . 51 GLU HB1 . 15871 1 588 . 1 1 51 51 GLU HB3 H 1 2.151 0.02 . 2 . . . . 51 GLU HB2 . 15871 1 589 . 1 1 51 51 GLU HG2 H 1 2.337 0.02 . 2 . . . . 51 GLU HG1 . 15871 1 590 . 1 1 51 51 GLU HG3 H 1 2.337 0.02 . 2 . . . . 51 GLU HG2 . 15871 1 591 . 1 1 51 51 GLU C C 13 177.997 0.2 . 1 . . . . 51 GLU C . 15871 1 592 . 1 1 51 51 GLU CA C 13 57.411 0.2 . 1 . . . . 51 GLU CA . 15871 1 593 . 1 1 51 51 GLU CB C 13 28.977 0.2 . 1 . . . . 51 GLU CB . 15871 1 594 . 1 1 51 51 GLU CG C 13 35.624 0.2 . 1 . . . . 51 GLU CG . 15871 1 595 . 1 1 52 52 GLN HA H 1 4.272 0.02 . 1 . . . . 52 GLN HA . 15871 1 596 . 1 1 52 52 GLN HB2 H 1 2.158 0.02 . 2 . . . . 52 GLN HB1 . 15871 1 597 . 1 1 52 52 GLN HB3 H 1 2.214 0.02 . 2 . . . . 52 GLN HB2 . 15871 1 598 . 1 1 52 52 GLN HG2 H 1 2.474 0.02 . 2 . . . . 52 GLN HG1 . 15871 1 599 . 1 1 52 52 GLN HG3 H 1 2.474 0.02 . 2 . . . . 52 GLN HG2 . 15871 1 600 . 1 1 52 52 GLN C C 13 177.000 0.2 . 1 . . . . 52 GLN C . 15871 1 601 . 1 1 52 52 GLN CA C 13 56.351 0.2 . 1 . . . . 52 GLN CA . 15871 1 602 . 1 1 52 52 GLN CB C 13 28.324 0.2 . 1 . . . . 52 GLN CB . 15871 1 603 . 1 1 52 52 GLN CG C 13 33.269 0.2 . 1 . . . . 52 GLN CG . 15871 1 604 . 1 1 53 53 ALA HA H 1 4.311 0.02 . 1 . . . . 53 ALA HA . 15871 1 605 . 1 1 53 53 ALA HB1 H 1 1.489 0.02 . 1 . . . . 53 ALA HB1 . 15871 1 606 . 1 1 53 53 ALA HB2 H 1 1.489 0.02 . 1 . . . . 53 ALA HB1 . 15871 1 607 . 1 1 53 53 ALA HB3 H 1 1.489 0.02 . 1 . . . . 53 ALA HB1 . 15871 1 608 . 1 1 53 53 ALA C C 13 178.687 0.2 . 1 . . . . 53 ALA C . 15871 1 609 . 1 1 53 53 ALA CA C 13 52.746 0.2 . 1 . . . . 53 ALA CA . 15871 1 610 . 1 1 53 53 ALA CB C 13 18.077 0.2 . 1 . . . . 53 ALA CB . 15871 1 611 . 1 1 54 54 LYS HA H 1 4.272 0.02 . 1 . . . . 54 LYS HA . 15871 1 612 . 1 1 54 54 LYS HB2 H 1 1.879 0.02 . 2 . . . . 54 LYS HB1 . 15871 1 613 . 1 1 54 54 LYS HB3 H 1 1.945 0.02 . 2 . . . . 54 LYS HB2 . 15871 1 614 . 1 1 54 54 LYS HD2 H 1 1.751 0.02 . 2 . . . . 54 LYS HD1 . 15871 1 615 . 1 1 54 54 LYS HD3 H 1 1.751 0.02 . 2 . . . . 54 LYS HD2 . 15871 1 616 . 1 1 54 54 LYS HE2 H 1 3.036 0.02 . 2 . . . . 54 LYS HE1 . 15871 1 617 . 1 1 54 54 LYS HE3 H 1 3.036 0.02 . 2 . . . . 54 LYS HE2 . 15871 1 618 . 1 1 54 54 LYS HG2 H 1 1.495 0.02 . 2 . . . . 54 LYS HG1 . 15871 1 619 . 1 1 54 54 LYS HG3 H 1 1.584 0.02 . 2 . . . . 54 LYS HG2 . 15871 1 620 . 1 1 54 54 LYS C C 13 177.118 0.2 . 1 . . . . 54 LYS C . 15871 1 621 . 1 1 54 54 LYS CA C 13 56.446 0.2 . 1 . . . . 54 LYS CA . 15871 1 622 . 1 1 54 54 LYS CB C 13 32.187 0.2 . 1 . . . . 54 LYS CB . 15871 1 623 . 1 1 54 54 LYS CD C 13 28.515 0.2 . 1 . . . . 54 LYS CD . 15871 1 624 . 1 1 54 54 LYS CE C 13 41.275 0.2 . 1 . . . . 54 LYS CE . 15871 1 625 . 1 1 54 54 LYS CG C 13 24.368 0.2 . 1 . . . . 54 LYS CG . 15871 1 626 . 1 1 55 55 ALA HA H 1 4.340 0.02 . 1 . . . . 55 ALA HA . 15871 1 627 . 1 1 55 55 ALA HB1 H 1 1.487 0.02 . 1 . . . . 55 ALA HB1 . 15871 1 628 . 1 1 55 55 ALA HB2 H 1 1.487 0.02 . 1 . . . . 55 ALA HB1 . 15871 1 629 . 1 1 55 55 ALA HB3 H 1 1.487 0.02 . 1 . . . . 55 ALA HB1 . 15871 1 630 . 1 1 55 55 ALA C C 13 177.713 0.2 . 1 . . . . 55 ALA C . 15871 1 631 . 1 1 55 55 ALA CA C 13 52.212 0.2 . 1 . . . . 55 ALA CA . 15871 1 632 . 1 1 55 55 ALA CB C 13 18.343 0.2 . 1 . . . . 55 ALA CB . 15871 1 633 . 1 1 56 56 ALA HA H 1 4.424 0.02 . 1 . . . . 56 ALA HA . 15871 1 634 . 1 1 56 56 ALA HB1 H 1 1.478 0.02 . 1 . . . . 56 ALA HB1 . 15871 1 635 . 1 1 56 56 ALA HB2 H 1 1.478 0.02 . 1 . . . . 56 ALA HB1 . 15871 1 636 . 1 1 56 56 ALA HB3 H 1 1.478 0.02 . 1 . . . . 56 ALA HB1 . 15871 1 637 . 1 1 56 56 ALA C C 13 177.956 0.2 . 1 . . . . 56 ALA C . 15871 1 638 . 1 1 56 56 ALA CA C 13 52.078 0.2 . 1 . . . . 56 ALA CA . 15871 1 639 . 1 1 56 56 ALA CB C 13 18.635 0.2 . 1 . . . . 56 ALA CB . 15871 1 640 . 1 1 57 57 THR HA H 1 4.434 0.02 . 1 . . . . 57 THR HA . 15871 1 641 . 1 1 57 57 THR HB H 1 4.275 0.02 . 1 . . . . 57 THR HB . 15871 1 642 . 1 1 57 57 THR HG21 H 1 1.292 0.02 . 1 . . . . 57 THR HG21 . 15871 1 643 . 1 1 57 57 THR HG22 H 1 1.292 0.02 . 1 . . . . 57 THR HG21 . 15871 1 644 . 1 1 57 57 THR HG23 H 1 1.292 0.02 . 1 . . . . 57 THR HG21 . 15871 1 645 . 1 1 57 57 THR C C 13 174.378 0.2 . 1 . . . . 57 THR C . 15871 1 646 . 1 1 57 57 THR CA C 13 61.280 0.2 . 1 . . . . 57 THR CA . 15871 1 647 . 1 1 57 57 THR CB C 13 69.211 0.2 . 1 . . . . 57 THR CB . 15871 1 648 . 1 1 57 57 THR CG2 C 13 20.991 0.2 . 1 . . . . 57 THR CG2 . 15871 1 649 . 1 1 58 58 VAL HA H 1 4.205 0.02 . 1 . . . . 58 VAL HA . 15871 1 650 . 1 1 58 58 VAL HB H 1 2.179 0.02 . 1 . . . . 58 VAL HB . 15871 1 651 . 1 1 58 58 VAL HG11 H 1 1.020 0.02 . 2 . . . . 58 VAL HG11 . 15871 1 652 . 1 1 58 58 VAL HG12 H 1 1.020 0.02 . 2 . . . . 58 VAL HG11 . 15871 1 653 . 1 1 58 58 VAL HG13 H 1 1.020 0.02 . 2 . . . . 58 VAL HG11 . 15871 1 654 . 1 1 58 58 VAL HG21 H 1 1.037 0.02 . 2 . . . . 58 VAL HG21 . 15871 1 655 . 1 1 58 58 VAL HG22 H 1 1.037 0.02 . 2 . . . . 58 VAL HG21 . 15871 1 656 . 1 1 58 58 VAL HG23 H 1 1.037 0.02 . 2 . . . . 58 VAL HG21 . 15871 1 657 . 1 1 58 58 VAL C C 13 176.514 0.2 . 1 . . . . 58 VAL C . 15871 1 658 . 1 1 58 58 VAL CA C 13 61.985 0.2 . 1 . . . . 58 VAL CA . 15871 1 659 . 1 1 58 58 VAL CB C 13 32.033 0.2 . 1 . . . . 58 VAL CB . 15871 1 660 . 1 1 58 58 VAL CG1 C 13 20.517 0.2 . 1 . . . . 58 VAL CG1 . 15871 1 661 . 1 1 58 58 VAL CG2 C 13 20.030 0.2 . 1 . . . . 58 VAL CG2 . 15871 1 662 . 1 1 59 59 GLY HA2 H 1 4.046 0.02 . 2 . . . . 59 GLY HA1 . 15871 1 663 . 1 1 59 59 GLY HA3 H 1 4.046 0.02 . 2 . . . . 59 GLY HA2 . 15871 1 664 . 1 1 59 59 GLY C C 13 174.096 0.2 . 1 . . . . 59 GLY C . 15871 1 665 . 1 1 59 59 GLY CA C 13 44.674 0.2 . 1 . . . . 59 GLY CA . 15871 1 666 . 1 1 60 60 MET HA H 1 4.573 0.02 . 1 . . . . 60 MET HA . 15871 1 667 . 1 1 60 60 MET HB2 H 1 2.088 0.02 . 2 . . . . 60 MET HB1 . 15871 1 668 . 1 1 60 60 MET HB3 H 1 2.196 0.02 . 2 . . . . 60 MET HB2 . 15871 1 669 . 1 1 60 60 MET HG2 H 1 2.676 0.02 . 2 . . . . 60 MET HG1 . 15871 1 670 . 1 1 60 60 MET HG3 H 1 2.596 0.02 . 2 . . . . 60 MET HG2 . 15871 1 671 . 1 1 60 60 MET C C 13 176.681 0.2 . 1 . . . . 60 MET C . 15871 1 672 . 1 1 60 60 MET CA C 13 54.942 0.2 . 1 . . . . 60 MET CA . 15871 1 673 . 1 1 60 60 MET CB C 13 32.326 0.2 . 1 . . . . 60 MET CB . 15871 1 674 . 1 1 60 60 MET CG C 13 31.468 0.2 . 1 . . . . 60 MET CG . 15871 1 675 . 1 1 61 61 GLY HA2 H 1 4.043 0.02 . 2 . . . . 61 GLY HA1 . 15871 1 676 . 1 1 61 61 GLY HA3 H 1 4.043 0.02 . 2 . . . . 61 GLY HA2 . 15871 1 677 . 1 1 61 61 GLY C C 13 173.986 0.2 . 1 . . . . 61 GLY C . 15871 1 678 . 1 1 61 61 GLY CA C 13 44.579 0.2 . 1 . . . . 61 GLY CA . 15871 1 679 . 1 1 62 62 GLU HA H 1 4.365 0.02 . 1 . . . . 62 GLU HA . 15871 1 680 . 1 1 62 62 GLU HB2 H 1 2.127 0.02 . 2 . . . . 62 GLU HB1 . 15871 1 681 . 1 1 62 62 GLU HB3 H 1 2.020 0.02 . 2 . . . . 62 GLU HB2 . 15871 1 682 . 1 1 62 62 GLU HG2 H 1 2.301 0.02 . 2 . . . . 62 GLU HG1 . 15871 1 683 . 1 1 62 62 GLU HG3 H 1 2.301 0.02 . 2 . . . . 62 GLU HG2 . 15871 1 684 . 1 1 62 62 GLU C C 13 176.821 0.2 . 1 . . . . 62 GLU C . 15871 1 685 . 1 1 62 62 GLU CA C 13 56.345 0.2 . 1 . . . . 62 GLU CA . 15871 1 686 . 1 1 62 62 GLU CB C 13 29.593 0.2 . 1 . . . . 62 GLU CB . 15871 1 687 . 1 1 62 62 GLU CG C 13 35.622 0.2 . 1 . . . . 62 GLU CG . 15871 1 688 . 1 1 63 63 THR HA H 1 4.421 0.02 . 1 . . . . 63 THR HA . 15871 1 689 . 1 1 63 63 THR HB H 1 4.316 0.02 . 1 . . . . 63 THR HB . 15871 1 690 . 1 1 63 63 THR HG21 H 1 1.273 0.02 . 1 . . . . 63 THR HG21 . 15871 1 691 . 1 1 63 63 THR HG22 H 1 1.273 0.02 . 1 . . . . 63 THR HG21 . 15871 1 692 . 1 1 63 63 THR HG23 H 1 1.273 0.02 . 1 . . . . 63 THR HG21 . 15871 1 693 . 1 1 63 63 THR C C 13 174.421 0.2 . 1 . . . . 63 THR C . 15871 1 694 . 1 1 63 63 THR CA C 13 61.203 0.2 . 1 . . . . 63 THR CA . 15871 1 695 . 1 1 63 63 THR CB C 13 69.341 0.2 . 1 . . . . 63 THR CB . 15871 1 696 . 1 1 63 63 THR CG2 C 13 20.934 0.2 . 1 . . . . 63 THR CG2 . 15871 1 697 . 1 1 64 64 GLU HA H 1 4.437 0.02 . 1 . . . . 64 GLU HA . 15871 1 698 . 1 1 64 64 GLU HB2 H 1 2.025 0.02 . 2 . . . . 64 GLU HB1 . 15871 1 699 . 1 1 64 64 GLU HB3 H 1 2.147 0.02 . 2 . . . . 64 GLU HB2 . 15871 1 700 . 1 1 64 64 GLU HG2 H 1 2.326 0.02 . 2 . . . . 64 GLU HG1 . 15871 1 701 . 1 1 64 64 GLU HG3 H 1 2.326 0.02 . 2 . . . . 64 GLU HG2 . 15871 1 702 . 1 1 64 64 GLU C C 13 176.681 0.2 . 1 . . . . 64 GLU C . 15871 1 703 . 1 1 64 64 GLU CA C 13 56.013 0.2 . 1 . . . . 64 GLU CA . 15871 1 704 . 1 1 64 64 GLU CB C 13 29.679 0.2 . 1 . . . . 64 GLU CB . 15871 1 705 . 1 1 64 64 GLU CG C 13 35.694 0.2 . 1 . . . . 64 GLU CG . 15871 1 706 . 1 1 65 65 LEU HA H 1 4.426 0.02 . 1 . . . . 65 LEU HA . 15871 1 707 . 1 1 65 65 LEU HB2 H 1 1.681 0.02 . 2 . . . . 65 LEU HB1 . 15871 1 708 . 1 1 65 65 LEU HB3 H 1 1.681 0.02 . 2 . . . . 65 LEU HB2 . 15871 1 709 . 1 1 65 65 LEU HD11 H 1 0.933 0.02 . 2 . . . . 65 LEU HD11 . 15871 1 710 . 1 1 65 65 LEU HD12 H 1 0.933 0.02 . 2 . . . . 65 LEU HD11 . 15871 1 711 . 1 1 65 65 LEU HD13 H 1 0.933 0.02 . 2 . . . . 65 LEU HD11 . 15871 1 712 . 1 1 65 65 LEU HD21 H 1 0.933 0.02 . 2 . . . . 65 LEU HD21 . 15871 1 713 . 1 1 65 65 LEU HD22 H 1 0.933 0.02 . 2 . . . . 65 LEU HD21 . 15871 1 714 . 1 1 65 65 LEU HD23 H 1 0.933 0.02 . 2 . . . . 65 LEU HD21 . 15871 1 715 . 1 1 65 65 LEU HG H 1 1.689 0.02 . 1 . . . . 65 LEU HG . 15871 1 716 . 1 1 65 65 LEU C C 13 177.281 0.2 . 1 . . . . 65 LEU C . 15871 1 717 . 1 1 65 65 LEU CA C 13 54.517 0.2 . 1 . . . . 65 LEU CA . 15871 1 718 . 1 1 65 65 LEU CB C 13 42.058 0.2 . 1 . . . . 65 LEU CB . 15871 1 719 . 1 1 65 65 LEU CD1 C 13 23.060 0.2 . 1 . . . . 65 LEU CD1 . 15871 1 720 . 1 1 65 65 LEU CD2 C 13 23.060 0.2 . 1 . . . . 65 LEU CD2 . 15871 1 721 . 1 1 65 65 LEU CG C 13 26.312 0.2 . 1 . . . . 65 LEU CG . 15871 1 722 . 1 1 66 66 ASN H H 1 8.548 0.02 . 1 . . . . 66 ASN HN . 15871 1 723 . 1 1 66 66 ASN HA H 1 4.630 0.02 . 1 . . . . 66 ASN HA . 15871 1 724 . 1 1 66 66 ASN HB2 H 1 2.753 0.02 . 2 . . . . 66 ASN HB1 . 15871 1 725 . 1 1 66 66 ASN HB3 H 1 2.825 0.02 . 2 . . . . 66 ASN HB2 . 15871 1 726 . 1 1 66 66 ASN C C 13 176.344 0.2 . 1 . . . . 66 ASN C . 15871 1 727 . 1 1 66 66 ASN CA C 13 53.959 0.2 . 1 . . . . 66 ASN CA . 15871 1 728 . 1 1 66 66 ASN CB C 13 40.364 0.2 . 1 . . . . 66 ASN CB . 15871 1 729 . 1 1 66 66 ASN N N 15 118.210 0.2 . 1 . . . . 66 ASN N . 15871 1 730 . 1 1 67 67 ASP H H 1 8.174 0.02 . 1 . . . . 67 ASP HN . 15871 1 731 . 1 1 67 67 ASP HA H 1 4.529 0.02 . 1 . . . . 67 ASP HA . 15871 1 732 . 1 1 67 67 ASP HB2 H 1 2.753 0.02 . 2 . . . . 67 ASP HB1 . 15871 1 733 . 1 1 67 67 ASP HB3 H 1 2.820 0.02 . 2 . . . . 67 ASP HB2 . 15871 1 734 . 1 1 67 67 ASP C C 13 176.400 0.2 . 1 . . . . 67 ASP C . 15871 1 735 . 1 1 67 67 ASP CA C 13 54.151 0.2 . 1 . . . . 67 ASP CA . 15871 1 736 . 1 1 67 67 ASP CB C 13 40.358 0.2 . 1 . . . . 67 ASP CB . 15871 1 737 . 1 1 67 67 ASP N N 15 119.721 0.2 . 1 . . . . 67 ASP N . 15871 1 738 . 1 1 68 68 LEU H H 1 7.986 0.02 . 1 . . . . 68 LEU HN . 15871 1 739 . 1 1 68 68 LEU HA H 1 4.409 0.02 . 1 . . . . 68 LEU HA . 15871 1 740 . 1 1 68 68 LEU HB2 H 1 1.748 0.02 . 2 . . . . 68 LEU HB1 . 15871 1 741 . 1 1 68 68 LEU HB3 H 1 1.658 0.02 . 2 . . . . 68 LEU HB2 . 15871 1 742 . 1 1 68 68 LEU HD11 H 1 0.922 0.02 . 2 . . . . 68 LEU HD11 . 15871 1 743 . 1 1 68 68 LEU HD12 H 1 0.922 0.02 . 2 . . . . 68 LEU HD11 . 15871 1 744 . 1 1 68 68 LEU HD13 H 1 0.922 0.02 . 2 . . . . 68 LEU HD11 . 15871 1 745 . 1 1 68 68 LEU HD21 H 1 0.986 0.02 . 2 . . . . 68 LEU HD21 . 15871 1 746 . 1 1 68 68 LEU HD22 H 1 0.986 0.02 . 2 . . . . 68 LEU HD21 . 15871 1 747 . 1 1 68 68 LEU HD23 H 1 0.986 0.02 . 2 . . . . 68 LEU HD21 . 15871 1 748 . 1 1 68 68 LEU HG H 1 1.692 0.02 . 1 . . . . 68 LEU HG . 15871 1 749 . 1 1 68 68 LEU C C 13 177.375 0.2 . 1 . . . . 68 LEU C . 15871 1 750 . 1 1 68 68 LEU CA C 13 54.727 0.2 . 1 . . . . 68 LEU CA . 15871 1 751 . 1 1 68 68 LEU CB C 13 41.505 0.2 . 1 . . . . 68 LEU CB . 15871 1 752 . 1 1 68 68 LEU CD1 C 13 22.788 0.2 . 1 . . . . 68 LEU CD1 . 15871 1 753 . 1 1 68 68 LEU CD2 C 13 24.441 0.2 . 1 . . . . 68 LEU CD2 . 15871 1 754 . 1 1 68 68 LEU CG C 13 26.412 0.2 . 1 . . . . 68 LEU CG . 15871 1 755 . 1 1 68 68 LEU N N 15 121.067 0.2 . 1 . . . . 68 LEU N . 15871 1 756 . 1 1 69 69 ILE H H 1 7.947 0.02 . 1 . . . . 69 ILE HN . 15871 1 757 . 1 1 69 69 ILE HA H 1 4.184 0.02 . 1 . . . . 69 ILE HA . 15871 1 758 . 1 1 69 69 ILE HB H 1 1.947 0.02 . 1 . . . . 69 ILE HB . 15871 1 759 . 1 1 69 69 ILE HD11 H 1 0.895 0.02 . 1 . . . . 69 ILE HD11 . 15871 1 760 . 1 1 69 69 ILE HD12 H 1 0.895 0.02 . 1 . . . . 69 ILE HD11 . 15871 1 761 . 1 1 69 69 ILE HD13 H 1 0.895 0.02 . 1 . . . . 69 ILE HD11 . 15871 1 762 . 1 1 69 69 ILE HG12 H 1 1.509 0.02 . 1 . . . . 69 ILE HG11 . 15871 1 763 . 1 1 69 69 ILE HG13 H 1 1.231 0.02 . 1 . . . . 69 ILE HG12 . 15871 1 764 . 1 1 69 69 ILE HG21 H 1 0.953 0.02 . 1 . . . . 69 ILE HG21 . 15871 1 765 . 1 1 69 69 ILE HG22 H 1 0.953 0.02 . 1 . . . . 69 ILE HG21 . 15871 1 766 . 1 1 69 69 ILE HG23 H 1 0.953 0.02 . 1 . . . . 69 ILE HG21 . 15871 1 767 . 1 1 69 69 ILE C C 13 176.674 0.2 . 1 . . . . 69 ILE C . 15871 1 768 . 1 1 69 69 ILE CA C 13 60.506 0.2 . 1 . . . . 69 ILE CA . 15871 1 769 . 1 1 69 69 ILE CB C 13 38.064 0.2 . 1 . . . . 69 ILE CB . 15871 1 770 . 1 1 69 69 ILE CD1 C 13 12.221 0.2 . 1 . . . . 69 ILE CD1 . 15871 1 771 . 1 1 69 69 ILE CG1 C 13 26.778 0.2 . 1 . . . . 69 ILE CG1 . 15871 1 772 . 1 1 69 69 ILE CG2 C 13 16.885 0.2 . 1 . . . . 69 ILE CG2 . 15871 1 773 . 1 1 69 69 ILE N N 15 120.603 0.2 . 1 . . . . 69 ILE N . 15871 1 774 . 1 1 70 70 ASP H H 1 8.217 0.02 . 1 . . . . 70 ASP HN . 15871 1 775 . 1 1 70 70 ASP HA H 1 4.661 0.02 . 1 . . . . 70 ASP HA . 15871 1 776 . 1 1 70 70 ASP HB2 H 1 2.650 0.02 . 2 . . . . 70 ASP HB1 . 15871 1 777 . 1 1 70 70 ASP HB3 H 1 2.748 0.02 . 2 . . . . 70 ASP HB2 . 15871 1 778 . 1 1 70 70 ASP C C 13 177.400 0.2 . 1 . . . . 70 ASP C . 15871 1 779 . 1 1 70 70 ASP CA C 13 54.881 0.2 . 1 . . . . 70 ASP CA . 15871 1 780 . 1 1 70 70 ASP CB C 13 40.846 0.2 . 1 . . . . 70 ASP CB . 15871 1 781 . 1 1 70 70 ASP N N 15 122.999 0.2 . 1 . . . . 70 ASP N . 15871 1 782 . 1 1 71 71 GLU H H 1 8.334 0.02 . 1 . . . . 71 GLU HN . 15871 1 783 . 1 1 71 71 GLU HA H 1 4.194 0.02 . 1 . . . . 71 GLU HA . 15871 1 784 . 1 1 71 71 GLU HB2 H 1 2.022 0.02 . 2 . . . . 71 GLU HB1 . 15871 1 785 . 1 1 71 71 GLU HB3 H 1 2.133 0.02 . 2 . . . . 71 GLU HB2 . 15871 1 786 . 1 1 71 71 GLU HG2 H 1 2.328 0.02 . 2 . . . . 71 GLU HG1 . 15871 1 787 . 1 1 71 71 GLU HG3 H 1 2.328 0.02 . 2 . . . . 71 GLU HG2 . 15871 1 788 . 1 1 71 71 GLU C C 13 176.851 0.2 . 1 . . . . 71 GLU C . 15871 1 789 . 1 1 71 71 GLU CA C 13 57.288 0.2 . 1 . . . . 71 GLU CA . 15871 1 790 . 1 1 71 71 GLU CB C 13 29.258 0.2 . 1 . . . . 71 GLU CB . 15871 1 791 . 1 1 71 71 GLU CG C 13 35.880 0.2 . 1 . . . . 71 GLU CG . 15871 1 792 . 1 1 71 71 GLU N N 15 121.515 0.2 . 1 . . . . 71 GLU N . 15871 1 793 . 1 1 72 72 ALA H H 1 8.249 0.02 . 1 . . . . 72 ALA HN . 15871 1 794 . 1 1 72 72 ALA HA H 1 4.281 0.02 . 1 . . . . 72 ALA HA . 15871 1 795 . 1 1 72 72 ALA HB1 H 1 1.450 0.02 . 1 . . . . 72 ALA HB1 . 15871 1 796 . 1 1 72 72 ALA HB2 H 1 1.450 0.02 . 1 . . . . 72 ALA HB1 . 15871 1 797 . 1 1 72 72 ALA HB3 H 1 1.450 0.02 . 1 . . . . 72 ALA HB1 . 15871 1 798 . 1 1 72 72 ALA C C 13 178.456 0.2 . 1 . . . . 72 ALA C . 15871 1 799 . 1 1 72 72 ALA CA C 13 52.342 0.2 . 1 . . . . 72 ALA CA . 15871 1 800 . 1 1 72 72 ALA CB C 13 18.340 0.2 . 1 . . . . 72 ALA CB . 15871 1 801 . 1 1 72 72 ALA N N 15 123.653 0.2 . 1 . . . . 72 ALA N . 15871 1 802 . 1 1 73 73 VAL H H 1 7.804 0.02 . 1 . . . . 73 VAL HN . 15871 1 803 . 1 1 73 73 VAL HA H 1 4.030 0.02 . 1 . . . . 73 VAL HA . 15871 1 804 . 1 1 73 73 VAL HB H 1 2.052 0.02 . 1 . . . . 73 VAL HB . 15871 1 805 . 1 1 73 73 VAL HG11 H 1 0.942 0.02 . 2 . . . . 73 VAL HG11 . 15871 1 806 . 1 1 73 73 VAL HG12 H 1 0.942 0.02 . 2 . . . . 73 VAL HG11 . 15871 1 807 . 1 1 73 73 VAL HG13 H 1 0.942 0.02 . 2 . . . . 73 VAL HG11 . 15871 1 808 . 1 1 73 73 VAL HG21 H 1 0.842 0.02 . 2 . . . . 73 VAL HG21 . 15871 1 809 . 1 1 73 73 VAL HG22 H 1 0.842 0.02 . 2 . . . . 73 VAL HG21 . 15871 1 810 . 1 1 73 73 VAL HG23 H 1 0.842 0.02 . 2 . . . . 73 VAL HG21 . 15871 1 811 . 1 1 73 73 VAL C C 13 176.411 0.2 . 1 . . . . 73 VAL C . 15871 1 812 . 1 1 73 73 VAL CA C 13 62.075 0.2 . 1 . . . . 73 VAL CA . 15871 1 813 . 1 1 73 73 VAL CB C 13 31.780 0.2 . 1 . . . . 73 VAL CB . 15871 1 814 . 1 1 73 73 VAL CG1 C 13 20.198 0.2 . 1 . . . . 73 VAL CG1 . 15871 1 815 . 1 1 73 73 VAL CG2 C 13 20.453 0.2 . 1 . . . . 73 VAL CG2 . 15871 1 816 . 1 1 73 73 VAL N N 15 117.674 0.2 . 1 . . . . 73 VAL N . 15871 1 817 . 1 1 74 74 GLN H H 1 8.059 0.02 . 1 . . . . 74 GLN HN . 15871 1 818 . 1 1 74 74 GLN HA H 1 4.269 0.02 . 1 . . . . 74 GLN HA . 15871 1 819 . 1 1 74 74 GLN HB2 H 1 1.975 0.02 . 2 . . . . 74 GLN HB1 . 15871 1 820 . 1 1 74 74 GLN HB3 H 1 2.035 0.02 . 2 . . . . 74 GLN HB2 . 15871 1 821 . 1 1 74 74 GLN HG2 H 1 2.279 0.02 . 2 . . . . 74 GLN HG1 . 15871 1 822 . 1 1 74 74 GLN HG3 H 1 2.279 0.02 . 2 . . . . 74 GLN HG2 . 15871 1 823 . 1 1 74 74 GLN C C 13 176.834 0.2 . 1 . . . . 74 GLN C . 15871 1 824 . 1 1 74 74 GLN CA C 13 55.642 0.2 . 1 . . . . 74 GLN CA . 15871 1 825 . 1 1 74 74 GLN CB C 13 28.360 0.2 . 1 . . . . 74 GLN CB . 15871 1 826 . 1 1 74 74 GLN CG C 13 32.928 0.2 . 1 . . . . 74 GLN CG . 15871 1 827 . 1 1 74 74 GLN N N 15 121.275 0.2 . 1 . . . . 74 GLN N . 15871 1 828 . 1 1 75 75 TRP H H 1 10.162 0.02 . 1 . . . . 75 TRP HN . 15871 1 829 . 1 1 75 75 TRP HA H 1 4.726 0.02 . 1 . . . . 75 TRP HA . 15871 1 830 . 1 1 75 75 TRP HB2 H 1 3.316 0.02 . 2 . . . . 75 TRP HB1 . 15871 1 831 . 1 1 75 75 TRP HB3 H 1 3.392 0.02 . 2 . . . . 75 TRP HB2 . 15871 1 832 . 1 1 75 75 TRP HD1 H 1 7.317 0.02 . 1 . . . . 75 TRP HD1 . 15871 1 833 . 1 1 75 75 TRP HE1 H 1 10.137 0.02 . 1 . . . . 75 TRP HE1 . 15871 1 834 . 1 1 75 75 TRP HE3 H 1 7.665 0.02 . 1 . . . . 75 TRP HE3 . 15871 1 835 . 1 1 75 75 TRP HH2 H 1 7.299 0.02 . 1 . . . . 75 TRP HH2 . 15871 1 836 . 1 1 75 75 TRP HZ2 H 1 7.531 0.02 . 1 . . . . 75 TRP HZ2 . 15871 1 837 . 1 1 75 75 TRP HZ3 H 1 7.214 0.02 . 1 . . . . 75 TRP HZ3 . 15871 1 838 . 1 1 75 75 TRP CA C 13 56.486 0.2 . 1 . . . . 75 TRP CA . 15871 1 839 . 1 1 75 75 TRP CB C 13 28.828 0.2 . 1 . . . . 75 TRP CB . 15871 1 840 . 1 1 75 75 TRP CD1 C 13 126.541 0.2 . 1 . . . . 75 TRP CD1 . 15871 1 841 . 1 1 75 75 TRP CE3 C 13 120.327 0.2 . 1 . . . . 75 TRP CE3 . 15871 1 842 . 1 1 75 75 TRP CH2 C 13 123.992 0.2 . 1 . . . . 75 TRP CH2 . 15871 1 843 . 1 1 75 75 TRP CZ2 C 13 114.009 0.2 . 1 . . . . 75 TRP CZ2 . 15871 1 844 . 1 1 75 75 TRP CZ3 C 13 121.385 0.2 . 1 . . . . 75 TRP CZ3 . 15871 1 845 . 1 1 75 75 TRP N N 15 129.197 0.2 . 1 . . . . 75 TRP N . 15871 1 846 . 1 1 75 75 TRP NE1 N 15 129.225 0.2 . 1 . . . . 75 TRP NE1 . 15871 1 847 . 1 1 76 76 ALA HA H 1 4.181 0.02 . 1 . . . . 76 ALA HA . 15871 1 848 . 1 1 76 76 ALA HB1 H 1 1.410 0.02 . 1 . . . . 76 ALA HB1 . 15871 1 849 . 1 1 76 76 ALA HB2 H 1 1.410 0.02 . 1 . . . . 76 ALA HB1 . 15871 1 850 . 1 1 76 76 ALA HB3 H 1 1.410 0.02 . 1 . . . . 76 ALA HB1 . 15871 1 851 . 1 1 76 76 ALA C C 13 179.709 0.2 . 1 . . . . 76 ALA C . 15871 1 852 . 1 1 76 76 ALA CA C 13 53.105 0.2 . 1 . . . . 76 ALA CA . 15871 1 853 . 1 1 76 76 ALA CB C 13 19.605 0.2 . 1 . . . . 76 ALA CB . 15871 1 854 . 1 1 77 77 ARG HA H 1 4.481 0.02 . 1 . . . . 77 ARG HA . 15871 1 855 . 1 1 77 77 ARG HB2 H 1 1.870 0.02 . 2 . . . . 77 ARG HB1 . 15871 1 856 . 1 1 77 77 ARG HB3 H 1 2.019 0.02 . 2 . . . . 77 ARG HB2 . 15871 1 857 . 1 1 77 77 ARG HD2 H 1 3.301 0.02 . 2 . . . . 77 ARG HD1 . 15871 1 858 . 1 1 77 77 ARG HD3 H 1 3.301 0.02 . 2 . . . . 77 ARG HD2 . 15871 1 859 . 1 1 77 77 ARG HG2 H 1 1.727 0.02 . 2 . . . . 77 ARG HG1 . 15871 1 860 . 1 1 77 77 ARG HG3 H 1 1.727 0.02 . 2 . . . . 77 ARG HG2 . 15871 1 861 . 1 1 77 77 ARG CA C 13 55.161 0.2 . 1 . . . . 77 ARG CA . 15871 1 862 . 1 1 77 77 ARG CB C 13 30.601 0.2 . 1 . . . . 77 ARG CB . 15871 1 863 . 1 1 77 77 ARG CD C 13 42.612 0.2 . 1 . . . . 77 ARG CD . 15871 1 864 . 1 1 77 77 ARG CG C 13 26.665 0.2 . 1 . . . . 77 ARG CG . 15871 1 865 . 1 1 78 78 GLU HA H 1 4.336 0.02 . 1 . . . . 78 GLU HA . 15871 1 866 . 1 1 78 78 GLU HB2 H 1 2.079 0.02 . 2 . . . . 78 GLU HB1 . 15871 1 867 . 1 1 78 78 GLU HB3 H 1 1.941 0.02 . 2 . . . . 78 GLU HB2 . 15871 1 868 . 1 1 78 78 GLU HG2 H 1 2.295 0.02 . 2 . . . . 78 GLU HG1 . 15871 1 869 . 1 1 78 78 GLU HG3 H 1 2.241 0.02 . 2 . . . . 78 GLU HG2 . 15871 1 870 . 1 1 78 78 GLU C C 13 175.079 0.2 . 1 . . . . 78 GLU C . 15871 1 871 . 1 1 78 78 GLU CA C 13 55.904 0.2 . 1 . . . . 78 GLU CA . 15871 1 872 . 1 1 78 78 GLU CB C 13 29.862 0.2 . 1 . . . . 78 GLU CB . 15871 1 873 . 1 1 78 78 GLU CG C 13 35.692 0.2 . 1 . . . . 78 GLU CG . 15871 1 874 . 1 1 79 79 HIS HA H 1 4.459 0.02 . 1 . . . . 79 HIS HA . 15871 1 875 . 1 1 79 79 HIS HB2 H 1 2.998 0.02 . 2 . . . . 79 HIS HB1 . 15871 1 876 . 1 1 79 79 HIS HB3 H 1 3.166 0.02 . 2 . . . . 79 HIS HB2 . 15871 1 877 . 1 1 79 79 HIS HD2 H 1 6.976 0.02 . 1 . . . . 79 HIS HD2 . 15871 1 878 . 1 1 79 79 HIS HE1 H 1 7.567 0.02 . 1 . . . . 79 HIS HE1 . 15871 1 879 . 1 1 79 79 HIS C C 13 180.016 0.2 . 1 . . . . 79 HIS C . 15871 1 880 . 1 1 79 79 HIS CA C 13 57.065 0.2 . 1 . . . . 79 HIS CA . 15871 1 881 . 1 1 79 79 HIS CB C 13 30.988 0.2 . 1 . . . . 79 HIS CB . 15871 1 882 . 1 1 79 79 HIS CD2 C 13 120.007 0.2 . 1 . . . . 79 HIS CD2 . 15871 1 883 . 1 1 79 79 HIS CE1 C 13 135.846 0.2 . 1 . . . . 79 HIS CE1 . 15871 1 stop_ save_