data_17075 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17075 _Entry.Title ; Chemical shift assignments for Bacillus subtilis TatAd protein, the channel-forming component of the Tat protein transport system ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Yunfei Hu . . . 17075 2 Changwen Jin . . . 17075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 17075 '15N chemical shifts' 75 17075 '1H chemical shifts' 493 17075 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 . . 2010-11-18 2010-07-23 update BMRB 'Update entry citation' 17075 1 . . 2010-08-24 2010-07-23 original author 'original release' 17075 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17075 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20726548 _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of the TatA Component of the Twin-Arginine Protein Transport System from Gram-Positive Bacterium Bacillus subtilis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 132 _Citation.Journal_issue 45 _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 15942 _Citation.Page_last 15944 _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 Yunfei Hu . . . 17075 1 2 Enwei Zhao . . . 17075 1 3 Hongwei Li . . . 17075 1 4 Bin Xia . . . 17075 1 5 Changwen Jin . . . 17075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17075 _Assembly.ID 1 _Assembly.Name TatAd _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 pept 1 $TatAd A . yes native no no . . . 17075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TatAd _Entity.Sf_category entity _Entity.Sf_framecode TatAd _Entity.Entry_ID 17075 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TatAd _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 ; MFSNIGIPGLILIFVIALII FGPSKLPEIGRAAGRTLLEF KSATKSLVSGDEKEEKSAEL TAVKQDKNAGLEHHHHHH ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L16 . "Solution Structure Of Bacillus Subtilits Tatad Protein In Dpc Micelles" . . . . . 100.00 78 100.00 100.00 1.31e-46 . . . . 17075 1 2 no DBJ BAI83717 . "component of the twin-arginine pre-protein translocation pathway [Bacillus subtilis subsp. natto BEST195]" . . . . . 89.74 73 100.00 100.00 3.33e-40 . . . . 17075 1 3 no DBJ BAM49193 . "twin-arginine pre-protein translocation pathwayprotein [Bacillus subtilis BEST7613]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 4 no DBJ BAM56463 . "twin-arginine pre-protein translocationpathwayprotein [Bacillus subtilis BEST7003]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 5 no DBJ GAK80268 . "component of the twin-arginine pre-protein translocation pathway [Bacillus subtilis Miyagi-4]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 6 no EMBL CAB12057 . "component of the twin-arginine pre-protein translocation pathway [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 7 no EMBL CCU56717 . "Twin-arginine translocation protein TatAd [Bacillus subtilis E1]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 8 no EMBL CEI55381 . "Sec-independent protein translocase protein TatAd [Bacillus subtilis]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 9 no EMBL CEJ75806 . "Sec-independent protein translocase protein TatAd [Bacillus sp.]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 10 no EMBL CJN29131 . "twin arginine-targeting protein translocase [Streptococcus pneumoniae]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 11 no GB ADM36327 . "component of the twin-arginine pre-protein translocation pathway [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 12 no GB ADV95193 . "twin-arginine pre-protein translocation pathway protein [Bacillus subtilis BSn5]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 13 no GB AEP85179 . "Sec-independent protein translocase protein TatAd [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 14 no GB AEP89324 . "Sec-independent protein translocase protein TatAd [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 15 no GB AFI26807 . "twin-arginine pre-protein translocation pathway protein [Bacillus sp. JS]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 16 no REF NP_388145 . "Sec-independent protein translocase protein TatAd [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 17 no REF WP_003223835 . "MULTISPECIES: protein translocase TatA [Bacilli]" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 1 18 no REF WP_010332899 . "MULTISPECIES: protein translocase TatA [Bacillaceae]" . . . . . 89.74 70 98.57 100.00 1.35e-39 . . . . 17075 1 19 no SP O31467 . "RecName: Full=Sec-independent protein translocase protein TatAd" . . . . . 89.74 70 100.00 100.00 3.39e-40 . . . . 17075 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 . 17075 1 2 . PHE . 17075 1 3 . SER . 17075 1 4 . ASN . 17075 1 5 . ILE . 17075 1 6 . GLY . 17075 1 7 . ILE . 17075 1 8 . PRO . 17075 1 9 . GLY . 17075 1 10 . LEU . 17075 1 11 . ILE . 17075 1 12 . LEU . 17075 1 13 . ILE . 17075 1 14 . PHE . 17075 1 15 . VAL . 17075 1 16 . ILE . 17075 1 17 . ALA . 17075 1 18 . LEU . 17075 1 19 . ILE . 17075 1 20 . ILE . 17075 1 21 . PHE . 17075 1 22 . GLY . 17075 1 23 . PRO . 17075 1 24 . SER . 17075 1 25 . LYS . 17075 1 26 . LEU . 17075 1 27 . PRO . 17075 1 28 . GLU . 17075 1 29 . ILE . 17075 1 30 . GLY . 17075 1 31 . ARG . 17075 1 32 . ALA . 17075 1 33 . ALA . 17075 1 34 . GLY . 17075 1 35 . ARG . 17075 1 36 . THR . 17075 1 37 . LEU . 17075 1 38 . LEU . 17075 1 39 . GLU . 17075 1 40 . PHE . 17075 1 41 . LYS . 17075 1 42 . SER . 17075 1 43 . ALA . 17075 1 44 . THR . 17075 1 45 . LYS . 17075 1 46 . SER . 17075 1 47 . LEU . 17075 1 48 . VAL . 17075 1 49 . SER . 17075 1 50 . GLY . 17075 1 51 . ASP . 17075 1 52 . GLU . 17075 1 53 . LYS . 17075 1 54 . GLU . 17075 1 55 . GLU . 17075 1 56 . LYS . 17075 1 57 . SER . 17075 1 58 . ALA . 17075 1 59 . GLU . 17075 1 60 . LEU . 17075 1 61 . THR . 17075 1 62 . ALA . 17075 1 63 . VAL . 17075 1 64 . LYS . 17075 1 65 . GLN . 17075 1 66 . ASP . 17075 1 67 . LYS . 17075 1 68 . ASN . 17075 1 69 . ALA . 17075 1 70 . GLY . 17075 1 71 . LEU . 17075 1 72 . GLU . 17075 1 73 . HIS . 17075 1 74 . HIS . 17075 1 75 . HIS . 17075 1 76 . HIS . 17075 1 77 . HIS . 17075 1 78 . HIS . 17075 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 17075 1 . PHE 2 2 17075 1 . SER 3 3 17075 1 . ASN 4 4 17075 1 . ILE 5 5 17075 1 . GLY 6 6 17075 1 . ILE 7 7 17075 1 . PRO 8 8 17075 1 . GLY 9 9 17075 1 . LEU 10 10 17075 1 . ILE 11 11 17075 1 . LEU 12 12 17075 1 . ILE 13 13 17075 1 . PHE 14 14 17075 1 . VAL 15 15 17075 1 . ILE 16 16 17075 1 . ALA 17 17 17075 1 . LEU 18 18 17075 1 . ILE 19 19 17075 1 . ILE 20 20 17075 1 . PHE 21 21 17075 1 . GLY 22 22 17075 1 . PRO 23 23 17075 1 . SER 24 24 17075 1 . LYS 25 25 17075 1 . LEU 26 26 17075 1 . PRO 27 27 17075 1 . GLU 28 28 17075 1 . ILE 29 29 17075 1 . GLY 30 30 17075 1 . ARG 31 31 17075 1 . ALA 32 32 17075 1 . ALA 33 33 17075 1 . GLY 34 34 17075 1 . ARG 35 35 17075 1 . THR 36 36 17075 1 . LEU 37 37 17075 1 . LEU 38 38 17075 1 . GLU 39 39 17075 1 . PHE 40 40 17075 1 . LYS 41 41 17075 1 . SER 42 42 17075 1 . ALA 43 43 17075 1 . THR 44 44 17075 1 . LYS 45 45 17075 1 . SER 46 46 17075 1 . LEU 47 47 17075 1 . VAL 48 48 17075 1 . SER 49 49 17075 1 . GLY 50 50 17075 1 . ASP 51 51 17075 1 . GLU 52 52 17075 1 . LYS 53 53 17075 1 . GLU 54 54 17075 1 . GLU 55 55 17075 1 . LYS 56 56 17075 1 . SER 57 57 17075 1 . ALA 58 58 17075 1 . GLU 59 59 17075 1 . LEU 60 60 17075 1 . THR 61 61 17075 1 . ALA 62 62 17075 1 . VAL 63 63 17075 1 . LYS 64 64 17075 1 . GLN 65 65 17075 1 . ASP 66 66 17075 1 . LYS 67 67 17075 1 . ASN 68 68 17075 1 . ALA 69 69 17075 1 . GLY 70 70 17075 1 . LEU 71 71 17075 1 . GLU 72 72 17075 1 . HIS 73 73 17075 1 . HIS 74 74 17075 1 . HIS 75 75 17075 1 . HIS 76 76 17075 1 . HIS 77 77 17075 1 . HIS 78 78 17075 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 17075 _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 $TatAd . 1423 organism . 'Bacillus subtilis' 'B. subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 17075 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 17075 _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 $TatAd . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21a(+) . . . . . . 17075 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17075 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TatAd [U-15N] . . 1 $TatAd . . 1 . . mM . . . . 17075 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17075 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17075 1 4 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 17075 1 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17075 1 6 DPC 'natural abundance' . . . . . . 5 . . % . . . . 17075 1 7 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17075 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17075 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TatAd '[U-13C; U-15N]' . . 1 $TatAd . . 1 . . mM . . . . 17075 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17075 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17075 2 4 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 17075 2 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17075 2 6 DPC [U-2H] . . . . . . 5 . . % . . . . 17075 2 7 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17075 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17075 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.300 . M 17075 1 pH 7.0 . pH 17075 1 pressure 1 . atm 17075 1 temperature 298 . K 17075 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17075 _Software.ID 1 _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' . . 17075 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17075 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17075 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17075 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17075 2 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 17075 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17075 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17075 _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 . 500 'with cryo-probe' . . 17075 1 2 spectrometer_2 Bruker Avance . 800 'with cryo-probe' . . 17075 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 17075 _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 . . . . . . . . . . . . . . . . . . . . . 17075 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 1 15 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17075 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 17075 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17075 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17075 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17075 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 17075 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 17075 1 4 '3D HNCA' . . . 17075 1 5 '3D HNCO' . . . 17075 1 6 '3D HNCACB' . . . 17075 1 7 '3D CBCA(CO)NH' . . . 17075 1 8 '3D HBHA(CO)NH' . . . 17075 1 9 '3D C(CO)NH' . . . 17075 1 11 '3D HCCH-COSY' . . . 17075 1 12 '3D HCCH-TOCSY' . . . 17075 1 13 '3D 1H-15N NOESY' . . . 17075 1 14 '3D 1H-13C NOESY' . . . 17075 1 15 '3D HN(CA)CO' . . . 17075 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 H H 1 8.939 0.03 . 1 . . . . 1 M H . 17075 1 2 . 1 1 1 1 MET HA H 1 4.177 0.03 . 1 . . . . 1 M HA . 17075 1 3 . 1 1 1 1 MET HB2 H 1 1.720 0.03 . 2 . . . . 1 M HB1 . 17075 1 4 . 1 1 1 1 MET HB3 H 1 1.859 0.03 . 2 . . . . 1 M HB2 . 17075 1 5 . 1 1 1 1 MET HE1 H 1 1.926 0.03 . 1 . . . . 1 M HE1 . 17075 1 6 . 1 1 1 1 MET HE2 H 1 1.926 0.03 . 1 . . . . 1 M HE1 . 17075 1 7 . 1 1 1 1 MET HE3 H 1 1.926 0.03 . 1 . . . . 1 M HE1 . 17075 1 8 . 1 1 1 1 MET HG2 H 1 2.219 0.03 . 2 . . . . 1 M HG2 . 17075 1 9 . 1 1 1 1 MET C C 13 176.300 0.3 . 1 . . . . 1 M C . 17075 1 10 . 1 1 1 1 MET CA C 13 56.348 0.3 . 1 . . . . 1 M CA . 17075 1 11 . 1 1 1 1 MET CB C 13 33.290 0.3 . 1 . . . . 1 M CB . 17075 1 12 . 1 1 1 1 MET CE C 13 17.140 0.3 . 1 . . . . 1 M CE . 17075 1 13 . 1 1 1 1 MET CG C 13 31.761 0.3 . 1 . . . . 1 M CG . 17075 1 14 . 1 1 1 1 MET N N 15 129.608 0.3 . 1 . . . . 1 M N . 17075 1 15 . 1 1 2 2 PHE H H 1 8.625 0.03 . 1 . . . . 2 F HN . 17075 1 16 . 1 1 2 2 PHE HA H 1 4.494 0.03 . 1 . . . . 2 F HA . 17075 1 17 . 1 1 2 2 PHE HB2 H 1 3.024 0.03 . 2 . . . . 2 F HB1 . 17075 1 18 . 1 1 2 2 PHE HB3 H 1 3.219 0.03 . 2 . . . . 2 F HB2 . 17075 1 19 . 1 1 2 2 PHE HD1 H 1 7.209 0.03 . 3 . . . . 2 F HD1 . 17075 1 20 . 1 1 2 2 PHE C C 13 176.370 0.3 . 1 . . . . 2 F C . 17075 1 21 . 1 1 2 2 PHE CA C 13 58.800 0.3 . 1 . . . . 2 F CA . 17075 1 22 . 1 1 2 2 PHE CB C 13 38.850 0.3 . 1 . . . . 2 F CB . 17075 1 23 . 1 1 2 2 PHE CD1 C 13 131.800 0.3 . 3 . . . . 2 F CD1 . 17075 1 24 . 1 1 2 2 PHE N N 15 117.606 0.3 . 1 . . . . 2 F N . 17075 1 25 . 1 1 3 3 SER H H 1 8.136 0.03 . 1 . . . . 3 S HN . 17075 1 26 . 1 1 3 3 SER HA H 1 4.204 0.03 . 1 . . . . 3 S HA . 17075 1 27 . 1 1 3 3 SER HB2 H 1 3.848 0.03 . 2 . . . . 3 S HB2 . 17075 1 28 . 1 1 3 3 SER C C 13 174.710 0.3 . 1 . . . . 3 S C . 17075 1 29 . 1 1 3 3 SER CA C 13 60.350 0.3 . 1 . . . . 3 S CA . 17075 1 30 . 1 1 3 3 SER CB C 13 63.400 0.3 . 1 . . . . 3 S CB . 17075 1 31 . 1 1 3 3 SER N N 15 114.773 0.3 . 1 . . . . 3 S N . 17075 1 32 . 1 1 4 4 ASN H H 1 8.131 0.03 . 1 . . . . 4 N HN . 17075 1 33 . 1 1 4 4 ASN HA H 1 4.672 0.03 . 1 . . . . 4 N HA . 17075 1 34 . 1 1 4 4 ASN HB2 H 1 2.787 0.03 . 2 . . . . 4 N HB1 . 17075 1 35 . 1 1 4 4 ASN HB3 H 1 2.760 0.03 . 2 . . . . 4 N HB2 . 17075 1 36 . 1 1 4 4 ASN HD21 H 1 7.711 0.03 . 2 . . . . 4 N HD21 . 17075 1 37 . 1 1 4 4 ASN HD22 H 1 6.872 0.03 . 2 . . . . 4 N HD22 . 17075 1 38 . 1 1 4 4 ASN C C 13 174.801 0.3 . 1 . . . . 4 N C . 17075 1 39 . 1 1 4 4 ASN CA C 13 54.049 0.3 . 1 . . . . 4 N CA . 17075 1 40 . 1 1 4 4 ASN CB C 13 39.450 0.3 . 1 . . . . 4 N CB . 17075 1 41 . 1 1 4 4 ASN N N 15 118.187 0.3 . 1 . . . . 4 N N . 17075 1 42 . 1 1 4 4 ASN ND2 N 15 113.755 0.3 . 1 . . . . 4 N ND2 . 17075 1 43 . 1 1 5 5 ILE H H 1 7.805 0.03 . 1 . . . . 5 I HN . 17075 1 44 . 1 1 5 5 ILE HA H 1 4.120 0.03 . 1 . . . . 5 I HA . 17075 1 45 . 1 1 5 5 ILE HB H 1 1.868 0.03 . 1 . . . . 5 I HB . 17075 1 46 . 1 1 5 5 ILE HD11 H 1 0.798 0.03 . 1 . . . . 5 I HD11 . 17075 1 47 . 1 1 5 5 ILE HD12 H 1 0.798 0.03 . 1 . . . . 5 I HD11 . 17075 1 48 . 1 1 5 5 ILE HD13 H 1 0.798 0.03 . 1 . . . . 5 I HD11 . 17075 1 49 . 1 1 5 5 ILE HG12 H 1 1.231 0.03 . 1 . . . . 5 I HG11 . 17075 1 50 . 1 1 5 5 ILE HG13 H 1 1.569 0.03 . 1 . . . . 5 I HG12 . 17075 1 51 . 1 1 5 5 ILE HG21 H 1 0.923 0.03 . 1 . . . . 5 I HG21 . 17075 1 52 . 1 1 5 5 ILE HG22 H 1 0.923 0.03 . 1 . . . . 5 I HG21 . 17075 1 53 . 1 1 5 5 ILE HG23 H 1 0.923 0.03 . 1 . . . . 5 I HG21 . 17075 1 54 . 1 1 5 5 ILE C C 13 175.681 0.3 . 1 . . . . 5 I C . 17075 1 55 . 1 1 5 5 ILE CA C 13 62.300 0.3 . 1 . . . . 5 I CA . 17075 1 56 . 1 1 5 5 ILE CB C 13 39.134 0.3 . 1 . . . . 5 I CB . 17075 1 57 . 1 1 5 5 ILE CD1 C 13 13.810 0.3 . 1 . . . . 5 I CD1 . 17075 1 58 . 1 1 5 5 ILE CG1 C 13 27.780 0.3 . 1 . . . . 5 I CG1 . 17075 1 59 . 1 1 5 5 ILE CG2 C 13 17.698 0.3 . 1 . . . . 5 I CG2 . 17075 1 60 . 1 1 5 5 ILE N N 15 117.033 0.3 . 1 . . . . 5 I N . 17075 1 61 . 1 1 6 6 GLY H H 1 8.260 0.03 . 1 . . . . 6 G HN . 17075 1 62 . 1 1 6 6 GLY HA2 H 1 3.862 0.03 . 2 . . . . 6 G HA2 . 17075 1 63 . 1 1 6 6 GLY C C 13 173.326 0.3 . 1 . . . . 6 G C . 17075 1 64 . 1 1 6 6 GLY CA C 13 45.468 0.3 . 1 . . . . 6 G CA . 17075 1 65 . 1 1 6 6 GLY N N 15 109.900 0.3 . 1 . . . . 6 G N . 17075 1 66 . 1 1 7 7 ILE H H 1 8.750 0.03 . 1 . . . . 7 I HN . 17075 1 67 . 1 1 7 7 ILE HA H 1 3.858 0.03 . 1 . . . . 7 I HA . 17075 1 68 . 1 1 7 7 ILE HB H 1 2.089 0.03 . 1 . . . . 7 I HB . 17075 1 69 . 1 1 7 7 ILE HD11 H 1 0.885 0.03 . 1 . . . . 7 I HD11 . 17075 1 70 . 1 1 7 7 ILE HD12 H 1 0.885 0.03 . 1 . . . . 7 I HD11 . 17075 1 71 . 1 1 7 7 ILE HD13 H 1 0.885 0.03 . 1 . . . . 7 I HD11 . 17075 1 72 . 1 1 7 7 ILE HG12 H 1 1.108 0.03 . 1 . . . . 7 I HG11 . 17075 1 73 . 1 1 7 7 ILE HG13 H 1 1.731 0.03 . 1 . . . . 7 I HG12 . 17075 1 74 . 1 1 7 7 ILE HG21 H 1 0.837 0.03 . 1 . . . . 7 I HG21 . 17075 1 75 . 1 1 7 7 ILE HG22 H 1 0.837 0.03 . 1 . . . . 7 I HG21 . 17075 1 76 . 1 1 7 7 ILE HG23 H 1 0.837 0.03 . 1 . . . . 7 I HG21 . 17075 1 77 . 1 1 7 7 ILE C C 13 174.610 0.3 . 1 . . . . 7 I C . 17075 1 78 . 1 1 7 7 ILE CA C 13 66.397 0.3 . 1 . . . . 7 I CA . 17075 1 79 . 1 1 7 7 ILE CB C 13 35.038 0.3 . 1 . . . . 7 I CB . 17075 1 80 . 1 1 7 7 ILE CD1 C 13 12.690 0.3 . 1 . . . . 7 I CD1 . 17075 1 81 . 1 1 7 7 ILE CG1 C 13 29.681 0.3 . 1 . . . . 7 I CG1 . 17075 1 82 . 1 1 7 7 ILE CG2 C 13 17.840 0.3 . 1 . . . . 7 I CG2 . 17075 1 83 . 1 1 7 7 ILE N N 15 119.057 0.3 . 1 . . . . 7 I N . 17075 1 84 . 1 1 8 8 PRO HA H 1 4.038 0.03 . 1 . . . . 8 P HA . 17075 1 85 . 1 1 8 8 PRO HB2 H 1 1.817 0.03 . 2 . . . . 8 P HB1 . 17075 1 86 . 1 1 8 8 PRO HB3 H 1 2.041 0.03 . 2 . . . . 8 P HB2 . 17075 1 87 . 1 1 8 8 PRO HD2 H 1 3.626 0.03 . 2 . . . . 8 P HD1 . 17075 1 88 . 1 1 8 8 PRO HD3 H 1 3.856 0.03 . 2 . . . . 8 P HD2 . 17075 1 89 . 1 1 8 8 PRO HG2 H 1 1.732 0.03 . 2 . . . . 8 P HG1 . 17075 1 90 . 1 1 8 8 PRO HG3 H 1 2.260 0.03 . 2 . . . . 8 P HG2 . 17075 1 91 . 1 1 8 8 PRO C C 13 177.488 0.3 . 1 . . . . 8 P C . 17075 1 92 . 1 1 8 8 PRO CA C 13 66.462 0.3 . 1 . . . . 8 P CA . 17075 1 93 . 1 1 8 8 PRO CB C 13 30.910 0.3 . 1 . . . . 8 P CB . 17075 1 94 . 1 1 8 8 PRO CD C 13 49.606 0.3 . 1 . . . . 8 P CD . 17075 1 95 . 1 1 8 8 PRO CG C 13 28.830 0.3 . 1 . . . . 8 P CG . 17075 1 96 . 1 1 9 9 GLY H H 1 8.044 0.03 . 1 . . . . 9 G HN . 17075 1 97 . 1 1 9 9 GLY HA2 H 1 3.544 0.03 . 2 . . . . 9 G HA1 . 17075 1 98 . 1 1 9 9 GLY HA3 H 1 3.596 0.03 . 2 . . . . 9 G HA2 . 17075 1 99 . 1 1 9 9 GLY C C 13 174.349 0.3 . 1 . . . . 9 G C . 17075 1 100 . 1 1 9 9 GLY CA C 13 47.460 0.3 . 1 . . . . 9 G CA . 17075 1 101 . 1 1 9 9 GLY N N 15 105.677 0.3 . 1 . . . . 9 G N . 17075 1 102 . 1 1 10 10 LEU H H 1 8.079 0.03 . 1 . . . . 10 L HN . 17075 1 103 . 1 1 10 10 LEU HA H 1 3.971 0.03 . 1 . . . . 10 L HA . 17075 1 104 . 1 1 10 10 LEU HB2 H 1 1.840 0.03 . 2 . . . . 10 L HB1 . 17075 1 105 . 1 1 10 10 LEU HB3 H 1 1.520 0.03 . 2 . . . . 10 L HB2 . 17075 1 106 . 1 1 10 10 LEU HD11 H 1 0.852 0.03 . 2 . . . . 10 L HD11 . 17075 1 107 . 1 1 10 10 LEU HD12 H 1 0.852 0.03 . 2 . . . . 10 L HD11 . 17075 1 108 . 1 1 10 10 LEU HD13 H 1 0.852 0.03 . 2 . . . . 10 L HD11 . 17075 1 109 . 1 1 10 10 LEU HD21 H 1 0.760 0.03 . 2 . . . . 10 L HD21 . 17075 1 110 . 1 1 10 10 LEU HD22 H 1 0.760 0.03 . 2 . . . . 10 L HD21 . 17075 1 111 . 1 1 10 10 LEU HD23 H 1 0.760 0.03 . 2 . . . . 10 L HD21 . 17075 1 112 . 1 1 10 10 LEU HG H 1 1.760 0.03 . 1 . . . . 10 L HG . 17075 1 113 . 1 1 10 10 LEU C C 13 178.392 0.3 . 1 . . . . 10 L C . 17075 1 114 . 1 1 10 10 LEU CA C 13 58.033 0.3 . 1 . . . . 10 L CA . 17075 1 115 . 1 1 10 10 LEU CB C 13 41.851 0.3 . 1 . . . . 10 L CB . 17075 1 116 . 1 1 10 10 LEU CD1 C 13 24.998 0.3 . 1 . . . . 10 L CD1 . 17075 1 117 . 1 1 10 10 LEU CD2 C 13 24.047 0.3 . 1 . . . . 10 L CD2 . 17075 1 118 . 1 1 10 10 LEU CG C 13 26.869 0.3 . 1 . . . . 10 L CG . 17075 1 119 . 1 1 10 10 LEU N N 15 121.867 0.3 . 1 . . . . 10 L N . 17075 1 120 . 1 1 11 11 ILE H H 1 8.162 0.03 . 1 . . . . 11 I HN . 17075 1 121 . 1 1 11 11 ILE HA H 1 3.531 0.03 . 1 . . . . 11 I HA . 17075 1 122 . 1 1 11 11 ILE HB H 1 1.954 0.03 . 1 . . . . 11 I HB . 17075 1 123 . 1 1 11 11 ILE HD11 H 1 0.714 0.03 . 1 . . . . 11 I HD11 . 17075 1 124 . 1 1 11 11 ILE HD12 H 1 0.714 0.03 . 1 . . . . 11 I HD11 . 17075 1 125 . 1 1 11 11 ILE HD13 H 1 0.714 0.03 . 1 . . . . 11 I HD11 . 17075 1 126 . 1 1 11 11 ILE HG12 H 1 0.980 0.03 . 1 . . . . 11 I HG11 . 17075 1 127 . 1 1 11 11 ILE HG13 H 1 1.806 0.03 . 1 . . . . 11 I HG12 . 17075 1 128 . 1 1 11 11 ILE HG21 H 1 0.782 0.03 . 1 . . . . 11 I HG21 . 17075 1 129 . 1 1 11 11 ILE HG22 H 1 0.782 0.03 . 1 . . . . 11 I HG21 . 17075 1 130 . 1 1 11 11 ILE HG23 H 1 0.782 0.03 . 1 . . . . 11 I HG21 . 17075 1 131 . 1 1 11 11 ILE C C 13 177.488 0.3 . 1 . . . . 11 I C . 17075 1 132 . 1 1 11 11 ILE CA C 13 65.642 0.3 . 1 . . . . 11 I CA . 17075 1 133 . 1 1 11 11 ILE CB C 13 36.886 0.3 . 1 . . . . 11 I CB . 17075 1 134 . 1 1 11 11 ILE CD1 C 13 13.540 0.3 . 1 . . . . 11 I CD1 . 17075 1 135 . 1 1 11 11 ILE CG1 C 13 29.287 0.3 . 1 . . . . 11 I CG1 . 17075 1 136 . 1 1 11 11 ILE CG2 C 13 17.380 0.3 . 1 . . . . 11 I CG2 . 17075 1 137 . 1 1 11 11 ILE N N 15 118.117 0.3 . 1 . . . . 11 I N . 17075 1 138 . 1 1 12 12 LEU H H 1 8.130 0.03 . 1 . . . . 12 L HN . 17075 1 139 . 1 1 12 12 LEU HA H 1 3.926 0.03 . 1 . . . . 12 L HA . 17075 1 140 . 1 1 12 12 LEU HB2 H 1 1.663 0.03 . 2 . . . . 12 L HB1 . 17075 1 141 . 1 1 12 12 LEU HB3 H 1 1.864 0.03 . 2 . . . . 12 L HB2 . 17075 1 142 . 1 1 12 12 LEU HD11 H 1 0.794 0.03 . 2 . . . . 12 L HD11 . 17075 1 143 . 1 1 12 12 LEU HD12 H 1 0.794 0.03 . 2 . . . . 12 L HD11 . 17075 1 144 . 1 1 12 12 LEU HD13 H 1 0.794 0.03 . 2 . . . . 12 L HD11 . 17075 1 145 . 1 1 12 12 LEU HD21 H 1 0.831 0.03 . 2 . . . . 12 L HD21 . 17075 1 146 . 1 1 12 12 LEU HD22 H 1 0.831 0.03 . 2 . . . . 12 L HD21 . 17075 1 147 . 1 1 12 12 LEU HD23 H 1 0.831 0.03 . 2 . . . . 12 L HD21 . 17075 1 148 . 1 1 12 12 LEU HG H 1 1.659 0.03 . 1 . . . . 12 L HG . 17075 1 149 . 1 1 12 12 LEU C C 13 178.130 0.3 . 1 . . . . 12 L C . 17075 1 150 . 1 1 12 12 LEU CA C 13 58.550 0.3 . 1 . . . . 12 L CA . 17075 1 151 . 1 1 12 12 LEU CB C 13 41.560 0.3 . 1 . . . . 12 L CB . 17075 1 152 . 1 1 12 12 LEU CD1 C 13 24.826 0.3 . 1 . . . . 12 L CD1 . 17075 1 153 . 1 1 12 12 LEU CD2 C 13 23.804 0.3 . 1 . . . . 12 L CD2 . 17075 1 154 . 1 1 12 12 LEU CG C 13 26.785 0.3 . 1 . . . . 12 L CG . 17075 1 155 . 1 1 12 12 LEU N N 15 119.661 0.3 . 1 . . . . 12 L N . 17075 1 156 . 1 1 13 13 ILE H H 1 8.114 0.03 . 1 . . . . 13 I HN . 17075 1 157 . 1 1 13 13 ILE HA H 1 3.491 0.03 . 1 . . . . 13 I HA . 17075 1 158 . 1 1 13 13 ILE HB H 1 1.969 0.03 . 1 . . . . 13 I HB . 17075 1 159 . 1 1 13 13 ILE HD11 H 1 0.715 0.03 . 1 . . . . 13 I HD11 . 17075 1 160 . 1 1 13 13 ILE HD12 H 1 0.715 0.03 . 1 . . . . 13 I HD11 . 17075 1 161 . 1 1 13 13 ILE HD13 H 1 0.715 0.03 . 1 . . . . 13 I HD11 . 17075 1 162 . 1 1 13 13 ILE HG12 H 1 0.980 0.03 . 1 . . . . 13 I HG11 . 17075 1 163 . 1 1 13 13 ILE HG13 H 1 1.810 0.03 . 1 . . . . 13 I HG12 . 17075 1 164 . 1 1 13 13 ILE HG21 H 1 0.792 0.03 . 1 . . . . 13 I HG21 . 17075 1 165 . 1 1 13 13 ILE HG22 H 1 0.792 0.03 . 1 . . . . 13 I HG21 . 17075 1 166 . 1 1 13 13 ILE HG23 H 1 0.792 0.03 . 1 . . . . 13 I HG21 . 17075 1 167 . 1 1 13 13 ILE C C 13 176.870 0.3 . 1 . . . . 13 I C . 17075 1 168 . 1 1 13 13 ILE CA C 13 65.600 0.3 . 1 . . . . 13 I CA . 17075 1 169 . 1 1 13 13 ILE CB C 13 37.400 0.3 . 1 . . . . 13 I CB . 17075 1 170 . 1 1 13 13 ILE CD1 C 13 13.200 0.3 . 1 . . . . 13 I CD1 . 17075 1 171 . 1 1 13 13 ILE CG1 C 13 29.300 0.3 . 1 . . . . 13 I CG1 . 17075 1 172 . 1 1 13 13 ILE CG2 C 13 17.330 0.3 . 1 . . . . 13 I CG2 . 17075 1 173 . 1 1 13 13 ILE N N 15 118.076 0.3 . 1 . . . . 13 I N . 17075 1 174 . 1 1 14 14 PHE H H 1 8.210 0.03 . 1 . . . . 14 F HN . 17075 1 175 . 1 1 14 14 PHE HA H 1 4.075 0.03 . 1 . . . . 14 F HA . 17075 1 176 . 1 1 14 14 PHE HB2 H 1 3.123 0.03 . 2 . . . . 14 F HB1 . 17075 1 177 . 1 1 14 14 PHE HB3 H 1 3.236 0.03 . 2 . . . . 14 F HB2 . 17075 1 178 . 1 1 14 14 PHE HD1 H 1 7.033 0.03 . 3 . . . . 14 F HD1 . 17075 1 179 . 1 1 14 14 PHE HE1 H 1 6.977 0.03 . 3 . . . . 14 F HE1 . 17075 1 180 . 1 1 14 14 PHE HZ H 1 6.930 0.03 . 1 . . . . 14 F HZ . 17075 1 181 . 1 1 14 14 PHE C C 13 176.798 0.3 . 1 . . . . 14 F C . 17075 1 182 . 1 1 14 14 PHE CA C 13 61.485 0.3 . 1 . . . . 14 F CA . 17075 1 183 . 1 1 14 14 PHE CB C 13 39.140 0.3 . 1 . . . . 14 F CB . 17075 1 184 . 1 1 14 14 PHE CD1 C 13 131.250 0.3 . 3 . . . . 14 F CD1 . 17075 1 185 . 1 1 14 14 PHE CE1 C 13 130.261 0.3 . 3 . . . . 14 F CE1 . 17075 1 186 . 1 1 14 14 PHE CZ C 13 128.300 0.3 . 1 . . . . 14 F CZ . 17075 1 187 . 1 1 14 14 PHE N N 15 119.943 0.3 . 1 . . . . 14 F N . 17075 1 188 . 1 1 15 15 VAL H H 1 8.600 0.03 . 1 . . . . 15 V HN . 17075 1 189 . 1 1 15 15 VAL HA H 1 3.360 0.03 . 1 . . . . 15 V HA . 17075 1 190 . 1 1 15 15 VAL HB H 1 2.252 0.03 . 1 . . . . 15 V HB . 17075 1 191 . 1 1 15 15 VAL HG11 H 1 0.834 0.03 . 2 . . . . 15 V HG11 . 17075 1 192 . 1 1 15 15 VAL HG12 H 1 0.834 0.03 . 2 . . . . 15 V HG11 . 17075 1 193 . 1 1 15 15 VAL HG13 H 1 0.834 0.03 . 2 . . . . 15 V HG11 . 17075 1 194 . 1 1 15 15 VAL HG21 H 1 1.041 0.03 . 2 . . . . 15 V HG21 . 17075 1 195 . 1 1 15 15 VAL HG22 H 1 1.041 0.03 . 2 . . . . 15 V HG21 . 17075 1 196 . 1 1 15 15 VAL HG23 H 1 1.041 0.03 . 2 . . . . 15 V HG21 . 17075 1 197 . 1 1 15 15 VAL C C 13 177.464 0.3 . 1 . . . . 15 V C . 17075 1 198 . 1 1 15 15 VAL CA C 13 67.305 0.3 . 1 . . . . 15 V CA . 17075 1 199 . 1 1 15 15 VAL CB C 13 31.369 0.3 . 1 . . . . 15 V CB . 17075 1 200 . 1 1 15 15 VAL CG1 C 13 21.533 0.3 . 1 . . . . 15 V CG1 . 17075 1 201 . 1 1 15 15 VAL CG2 C 13 23.540 0.3 . 1 . . . . 15 V CG2 . 17075 1 202 . 1 1 15 15 VAL N N 15 118.775 0.3 . 1 . . . . 15 V N . 17075 1 203 . 1 1 16 16 ILE H H 1 8.385 0.03 . 1 . . . . 16 I HN . 17075 1 204 . 1 1 16 16 ILE HA H 1 3.480 0.03 . 1 . . . . 16 I HA . 17075 1 205 . 1 1 16 16 ILE HB H 1 1.936 0.03 . 1 . . . . 16 I HB . 17075 1 206 . 1 1 16 16 ILE HD11 H 1 0.710 0.03 . 1 . . . . 16 I HD11 . 17075 1 207 . 1 1 16 16 ILE HD12 H 1 0.710 0.03 . 1 . . . . 16 I HD11 . 17075 1 208 . 1 1 16 16 ILE HD13 H 1 0.710 0.03 . 1 . . . . 16 I HD11 . 17075 1 209 . 1 1 16 16 ILE HG12 H 1 0.940 0.03 . 1 . . . . 16 I HG11 . 17075 1 210 . 1 1 16 16 ILE HG13 H 1 1.814 0.03 . 1 . . . . 16 I HG12 . 17075 1 211 . 1 1 16 16 ILE HG21 H 1 0.815 0.03 . 1 . . . . 16 I HG21 . 17075 1 212 . 1 1 16 16 ILE HG22 H 1 0.815 0.03 . 1 . . . . 16 I HG21 . 17075 1 213 . 1 1 16 16 ILE HG23 H 1 0.815 0.03 . 1 . . . . 16 I HG21 . 17075 1 214 . 1 1 16 16 ILE C C 13 177.583 0.3 . 1 . . . . 16 I C . 17075 1 215 . 1 1 16 16 ILE CA C 13 65.814 0.3 . 1 . . . . 16 I CA . 17075 1 216 . 1 1 16 16 ILE CB C 13 37.192 0.3 . 1 . . . . 16 I CB . 17075 1 217 . 1 1 16 16 ILE CD1 C 13 13.162 0.3 . 1 . . . . 16 I CD1 . 17075 1 218 . 1 1 16 16 ILE CG1 C 13 29.380 0.3 . 1 . . . . 16 I CG1 . 17075 1 219 . 1 1 16 16 ILE CG2 C 13 17.656 0.3 . 1 . . . . 16 I CG2 . 17075 1 220 . 1 1 16 16 ILE N N 15 119.339 0.3 . 1 . . . . 16 I N . 17075 1 221 . 1 1 17 17 ALA H H 1 8.530 0.03 . 1 . . . . 17 A HN . 17075 1 222 . 1 1 17 17 ALA HA H 1 3.963 0.03 . 1 . . . . 17 A HA . 17075 1 223 . 1 1 17 17 ALA HB1 H 1 1.477 0.03 . 1 . . . . 17 A HB1 . 17075 1 224 . 1 1 17 17 ALA HB2 H 1 1.477 0.03 . 1 . . . . 17 A HB1 . 17075 1 225 . 1 1 17 17 ALA HB3 H 1 1.477 0.03 . 1 . . . . 17 A HB1 . 17075 1 226 . 1 1 17 17 ALA C C 13 179.319 0.3 . 1 . . . . 17 A C . 17075 1 227 . 1 1 17 17 ALA CA C 13 55.658 0.3 . 1 . . . . 17 A CA . 17075 1 228 . 1 1 17 17 ALA CB C 13 18.000 0.3 . 1 . . . . 17 A CB . 17075 1 229 . 1 1 17 17 ALA N N 15 121.434 0.3 . 1 . . . . 17 A N . 17075 1 230 . 1 1 18 18 LEU H H 1 8.309 0.03 . 1 . . . . 18 L HN . 17075 1 231 . 1 1 18 18 LEU HA H 1 3.741 0.03 . 1 . . . . 18 L HA . 17075 1 232 . 1 1 18 18 LEU HB2 H 1 1.513 0.03 . 2 . . . . 18 L HB1 . 17075 1 233 . 1 1 18 18 LEU HB3 H 1 1.684 0.03 . 2 . . . . 18 L HB2 . 17075 1 234 . 1 1 18 18 LEU HD11 H 1 0.648 0.03 . 2 . . . . 18 L HD11 . 17075 1 235 . 1 1 18 18 LEU HD12 H 1 0.648 0.03 . 2 . . . . 18 L HD11 . 17075 1 236 . 1 1 18 18 LEU HD13 H 1 0.648 0.03 . 2 . . . . 18 L HD11 . 17075 1 237 . 1 1 18 18 LEU HD21 H 1 0.706 0.03 . 2 . . . . 18 L HD21 . 17075 1 238 . 1 1 18 18 LEU HD22 H 1 0.706 0.03 . 2 . . . . 18 L HD21 . 17075 1 239 . 1 1 18 18 LEU HD23 H 1 0.706 0.03 . 2 . . . . 18 L HD21 . 17075 1 240 . 1 1 18 18 LEU HG H 1 1.518 0.03 . 1 . . . . 18 L HG . 17075 1 241 . 1 1 18 18 LEU C C 13 178.701 0.3 . 1 . . . . 18 L C . 17075 1 242 . 1 1 18 18 LEU CA C 13 58.314 0.3 . 1 . . . . 18 L CA . 17075 1 243 . 1 1 18 18 LEU CB C 13 41.790 0.3 . 1 . . . . 18 L CB . 17075 1 244 . 1 1 18 18 LEU CD1 C 13 24.809 0.3 . 1 . . . . 18 L CD1 . 17075 1 245 . 1 1 18 18 LEU CD2 C 13 24.700 0.3 . 1 . . . . 18 L CD2 . 17075 1 246 . 1 1 18 18 LEU CG C 13 26.811 0.3 . 1 . . . . 18 L CG . 17075 1 247 . 1 1 18 18 LEU N N 15 119.208 0.3 . 1 . . . . 18 L N . 17075 1 248 . 1 1 19 19 ILE H H 1 7.980 0.03 . 1 . . . . 19 I HN . 17075 1 249 . 1 1 19 19 ILE HA H 1 3.550 0.03 . 1 . . . . 19 I HA . 17075 1 250 . 1 1 19 19 ILE HB H 1 1.940 0.03 . 1 . . . . 19 I HB . 17075 1 251 . 1 1 19 19 ILE HD11 H 1 0.720 0.03 . 1 . . . . 19 I HD11 . 17075 1 252 . 1 1 19 19 ILE HD12 H 1 0.720 0.03 . 1 . . . . 19 I HD11 . 17075 1 253 . 1 1 19 19 ILE HD13 H 1 0.720 0.03 . 1 . . . . 19 I HD11 . 17075 1 254 . 1 1 19 19 ILE HG12 H 1 0.940 0.03 . 1 . . . . 19 I HG11 . 17075 1 255 . 1 1 19 19 ILE HG13 H 1 1.850 0.03 . 1 . . . . 19 I HG12 . 17075 1 256 . 1 1 19 19 ILE HG21 H 1 0.800 0.03 . 1 . . . . 19 I HG21 . 17075 1 257 . 1 1 19 19 ILE HG22 H 1 0.800 0.03 . 1 . . . . 19 I HG21 . 17075 1 258 . 1 1 19 19 ILE HG23 H 1 0.800 0.03 . 1 . . . . 19 I HG21 . 17075 1 259 . 1 1 19 19 ILE C C 13 176.561 0.3 . 1 . . . . 19 I C . 17075 1 260 . 1 1 19 19 ILE CA C 13 65.161 0.3 . 1 . . . . 19 I CA . 17075 1 261 . 1 1 19 19 ILE CB C 13 38.112 0.3 . 1 . . . . 19 I CB . 17075 1 262 . 1 1 19 19 ILE CD1 C 13 13.742 0.3 . 1 . . . . 19 I CD1 . 17075 1 263 . 1 1 19 19 ILE CG1 C 13 29.247 0.3 . 1 . . . . 19 I CG1 . 17075 1 264 . 1 1 19 19 ILE CG2 C 13 17.500 0.3 . 1 . . . . 19 I CG2 . 17075 1 265 . 1 1 19 19 ILE N N 15 118.815 0.3 . 1 . . . . 19 I N . 17075 1 266 . 1 1 20 20 ILE H H 1 7.990 0.03 . 1 . . . . 20 I HN . 17075 1 267 . 1 1 20 20 ILE HA H 1 3.532 0.03 . 1 . . . . 20 I HA . 17075 1 268 . 1 1 20 20 ILE HB H 1 1.372 0.03 . 1 . . . . 20 I HB . 17075 1 269 . 1 1 20 20 ILE HD11 H 1 0.594 0.03 . 1 . . . . 20 I HD11 . 17075 1 270 . 1 1 20 20 ILE HD12 H 1 0.594 0.03 . 1 . . . . 20 I HD11 . 17075 1 271 . 1 1 20 20 ILE HD13 H 1 0.594 0.03 . 1 . . . . 20 I HD11 . 17075 1 272 . 1 1 20 20 ILE HG12 H 1 1.541 0.03 . 1 . . . . 20 I HG11 . 17075 1 273 . 1 1 20 20 ILE HG13 H 1 0.921 0.03 . 1 . . . . 20 I HG12 . 17075 1 274 . 1 1 20 20 ILE HG21 H 1 0.014 0.03 . 1 . . . . 20 I HG21 . 17075 1 275 . 1 1 20 20 ILE HG22 H 1 0.014 0.03 . 1 . . . . 20 I HG21 . 17075 1 276 . 1 1 20 20 ILE HG23 H 1 0.014 0.03 . 1 . . . . 20 I HG21 . 17075 1 277 . 1 1 20 20 ILE C C 13 177.298 0.3 . 1 . . . . 20 I C . 17075 1 278 . 1 1 20 20 ILE CA C 13 64.700 0.3 . 1 . . . . 20 I CA . 17075 1 279 . 1 1 20 20 ILE CB C 13 38.189 0.3 . 1 . . . . 20 I CB . 17075 1 280 . 1 1 20 20 ILE CD1 C 13 13.600 0.3 . 1 . . . . 20 I CD1 . 17075 1 281 . 1 1 20 20 ILE CG1 C 13 28.429 0.3 . 1 . . . . 20 I CG1 . 17075 1 282 . 1 1 20 20 ILE CG2 C 13 16.560 0.3 . 1 . . . . 20 I CG2 . 17075 1 283 . 1 1 20 20 ILE N N 15 116.316 0.3 . 1 . . . . 20 I N . 17075 1 284 . 1 1 21 21 PHE H H 1 8.480 0.03 . 1 . . . . 21 F HN . 17075 1 285 . 1 1 21 21 PHE HA H 1 4.544 0.03 . 1 . . . . 21 F HA . 17075 1 286 . 1 1 21 21 PHE HB2 H 1 2.894 0.03 . 2 . . . . 21 F HB1 . 17075 1 287 . 1 1 21 21 PHE HB3 H 1 3.113 0.03 . 2 . . . . 21 F HB2 . 17075 1 288 . 1 1 21 21 PHE HD1 H 1 7.399 0.03 . 3 . . . . 21 F HD1 . 17075 1 289 . 1 1 21 21 PHE HE1 H 1 7.190 0.03 . 3 . . . . 21 F HE1 . 17075 1 290 . 1 1 21 21 PHE HZ H 1 7.077 0.03 . 1 . . . . 21 F HZ . 17075 1 291 . 1 1 21 21 PHE C C 13 177.203 0.3 . 1 . . . . 21 F C . 17075 1 292 . 1 1 21 21 PHE CA C 13 59.590 0.3 . 1 . . . . 21 F CA . 17075 1 293 . 1 1 21 21 PHE CB C 13 40.297 0.3 . 1 . . . . 21 F CB . 17075 1 294 . 1 1 21 21 PHE CD1 C 13 132.158 0.3 . 3 . . . . 21 F CD1 . 17075 1 295 . 1 1 21 21 PHE CE1 C 13 130.700 0.3 . 3 . . . . 21 F CE1 . 17075 1 296 . 1 1 21 21 PHE CZ C 13 129.080 0.3 . 1 . . . . 21 F CZ . 17075 1 297 . 1 1 21 21 PHE N N 15 114.946 0.3 . 1 . . . . 21 F N . 17075 1 298 . 1 1 22 22 GLY H H 1 7.891 0.03 . 1 . . . . 22 G HN . 17075 1 299 . 1 1 22 22 GLY HA2 H 1 4.147 0.03 . 2 . . . . 22 G HA1 . 17075 1 300 . 1 1 22 22 GLY HA3 H 1 4.318 0.03 . 2 . . . . 22 G HA2 . 17075 1 301 . 1 1 22 22 GLY CA C 13 45.391 0.3 . 1 . . . . 22 G CA . 17075 1 302 . 1 1 22 22 GLY N N 15 108.820 0.3 . 1 . . . . 22 G N . 17075 1 303 . 1 1 23 23 PRO HA H 1 4.223 0.03 . 1 . . . . 23 P HA . 17075 1 304 . 1 1 23 23 PRO HB2 H 1 2.084 0.03 . 2 . . . . 23 P HB1 . 17075 1 305 . 1 1 23 23 PRO HB3 H 1 2.084 0.03 . 2 . . . . 23 P HB2 . 17075 1 306 . 1 1 23 23 PRO HD2 H 1 3.574 0.03 . 2 . . . . 23 P HD1 . 17075 1 307 . 1 1 23 23 PRO HD3 H 1 3.888 0.03 . 2 . . . . 23 P HD2 . 17075 1 308 . 1 1 23 23 PRO HG2 H 1 1.893 0.03 . 2 . . . . 23 P HG1 . 17075 1 309 . 1 1 23 23 PRO HG3 H 1 2.162 0.03 . 2 . . . . 23 P HG2 . 17075 1 310 . 1 1 23 23 PRO C C 13 177.678 0.3 . 1 . . . . 23 P C . 17075 1 311 . 1 1 23 23 PRO CA C 13 64.707 0.3 . 1 . . . . 23 P CA . 17075 1 312 . 1 1 23 23 PRO CB C 13 31.997 0.3 . 1 . . . . 23 P CB . 17075 1 313 . 1 1 23 23 PRO CD C 13 50.185 0.3 . 1 . . . . 23 P CD . 17075 1 314 . 1 1 23 23 PRO CG C 13 27.465 0.3 . 1 . . . . 23 P CG . 17075 1 315 . 1 1 24 24 SER H H 1 8.405 0.03 . 1 . . . . 24 S HN . 17075 1 316 . 1 1 24 24 SER HA H 1 4.224 0.03 . 1 . . . . 24 S HA . 17075 1 317 . 1 1 24 24 SER HB2 H 1 3.930 0.03 . 2 . . . . 24 S HB2 . 17075 1 318 . 1 1 24 24 SER C C 13 175.657 0.3 . 1 . . . . 24 S C . 17075 1 319 . 1 1 24 24 SER CA C 13 61.305 0.3 . 1 . . . . 24 S CA . 17075 1 320 . 1 1 24 24 SER CB C 13 62.861 0.3 . 1 . . . . 24 S CB . 17075 1 321 . 1 1 24 24 SER N N 15 113.156 0.3 . 1 . . . . 24 S N . 17075 1 322 . 1 1 25 25 LYS H H 1 7.771 0.03 . 1 . . . . 25 K HN . 17075 1 323 . 1 1 25 25 LYS HA H 1 4.504 0.03 . 1 . . . . 25 K HA . 17075 1 324 . 1 1 25 25 LYS HB2 H 1 1.794 0.03 . 2 . . . . 25 K HB1 . 17075 1 325 . 1 1 25 25 LYS HB3 H 1 1.905 0.03 . 2 . . . . 25 K HB2 . 17075 1 326 . 1 1 25 25 LYS HD2 H 1 1.643 0.03 . 2 . . . . 25 K HD2 . 17075 1 327 . 1 1 25 25 LYS HE2 H 1 2.920 0.03 . 2 . . . . 25 K HE2 . 17075 1 328 . 1 1 25 25 LYS HG2 H 1 1.476 0.03 . 2 . . . . 25 K HG1 . 17075 1 329 . 1 1 25 25 LYS HG3 H 1 1.431 0.03 . 2 . . . . 25 K HG2 . 17075 1 330 . 1 1 25 25 LYS C C 13 176.679 0.3 . 1 . . . . 25 K C . 17075 1 331 . 1 1 25 25 LYS CA C 13 55.122 0.3 . 1 . . . . 25 K CA . 17075 1 332 . 1 1 25 25 LYS CB C 13 32.898 0.3 . 1 . . . . 25 K CB . 17075 1 333 . 1 1 25 25 LYS CE C 13 41.700 0.3 . 1 . . . . 25 K CE . 17075 1 334 . 1 1 25 25 LYS CG C 13 25.120 0.3 . 1 . . . . 25 K CG . 17075 1 335 . 1 1 25 25 LYS N N 15 119.582 0.3 . 1 . . . . 25 K N . 17075 1 336 . 1 1 26 26 LEU H H 1 7.750 0.03 . 1 . . . . 26 L HN . 17075 1 337 . 1 1 26 26 LEU HA H 1 4.167 0.03 . 1 . . . . 26 L HA . 17075 1 338 . 1 1 26 26 LEU HB2 H 1 1.880 0.03 . 2 . . . . 26 L HB1 . 17075 1 339 . 1 1 26 26 LEU HB3 H 1 1.546 0.03 . 2 . . . . 26 L HB2 . 17075 1 340 . 1 1 26 26 LEU HD11 H 1 0.911 0.03 . 2 . . . . 26 L HD11 . 17075 1 341 . 1 1 26 26 LEU HD12 H 1 0.911 0.03 . 2 . . . . 26 L HD11 . 17075 1 342 . 1 1 26 26 LEU HD13 H 1 0.911 0.03 . 2 . . . . 26 L HD11 . 17075 1 343 . 1 1 26 26 LEU HD21 H 1 0.830 0.03 . 2 . . . . 26 L HD21 . 17075 1 344 . 1 1 26 26 LEU HD22 H 1 0.830 0.03 . 2 . . . . 26 L HD21 . 17075 1 345 . 1 1 26 26 LEU HD23 H 1 0.830 0.03 . 2 . . . . 26 L HD21 . 17075 1 346 . 1 1 26 26 LEU HG H 1 1.788 0.03 . 1 . . . . 26 L HG . 17075 1 347 . 1 1 26 26 LEU C C 13 179.153 0.3 . 1 . . . . 26 L C . 17075 1 348 . 1 1 26 26 LEU CA C 13 57.913 0.3 . 1 . . . . 26 L CA . 17075 1 349 . 1 1 26 26 LEU CB C 13 40.181 0.3 . 1 . . . . 26 L CB . 17075 1 350 . 1 1 26 26 LEU CD1 C 13 25.187 0.3 . 1 . . . . 26 L CD1 . 17075 1 351 . 1 1 26 26 LEU CD2 C 13 24.385 0.3 . 1 . . . . 26 L CD2 . 17075 1 352 . 1 1 26 26 LEU CG C 13 27.148 0.3 . 1 . . . . 26 L CG . 17075 1 353 . 1 1 26 26 LEU N N 15 120.046 0.3 . 1 . . . . 26 L N . 17075 1 354 . 1 1 27 27 PRO HA H 1 4.217 0.03 . 1 . . . . 27 P HA . 17075 1 355 . 1 1 27 27 PRO HB2 H 1 1.926 0.03 . 2 . . . . 27 P HB1 . 17075 1 356 . 1 1 27 27 PRO HB3 H 1 2.322 0.03 . 2 . . . . 27 P HB2 . 17075 1 357 . 1 1 27 27 PRO HD2 H 1 3.715 0.03 . 2 . . . . 27 P HD1 . 17075 1 358 . 1 1 27 27 PRO HD3 H 1 3.616 0.03 . 2 . . . . 27 P HD2 . 17075 1 359 . 1 1 27 27 PRO HG2 H 1 1.792 0.03 . 2 . . . . 27 P HG1 . 17075 1 360 . 1 1 27 27 PRO HG3 H 1 2.161 0.03 . 2 . . . . 27 P HG2 . 17075 1 361 . 1 1 27 27 PRO C C 13 177.892 0.3 . 1 . . . . 27 P C . 17075 1 362 . 1 1 27 27 PRO CA C 13 65.850 0.3 . 1 . . . . 27 P CA . 17075 1 363 . 1 1 27 27 PRO CB C 13 31.240 0.3 . 1 . . . . 27 P CB . 17075 1 364 . 1 1 27 27 PRO CD C 13 50.330 0.3 . 1 . . . . 27 P CD . 17075 1 365 . 1 1 27 27 PRO CG C 13 28.663 0.3 . 1 . . . . 27 P CG . 17075 1 366 . 1 1 28 28 GLU H H 1 7.940 0.03 . 1 . . . . 28 E HN . 17075 1 367 . 1 1 28 28 GLU HA H 1 4.069 0.03 . 1 . . . . 28 E HA . 17075 1 368 . 1 1 28 28 GLU HB2 H 1 2.013 0.03 . 2 . . . . 28 E HB1 . 17075 1 369 . 1 1 28 28 GLU HB3 H 1 2.104 0.03 . 2 . . . . 28 E HB2 . 17075 1 370 . 1 1 28 28 GLU HG2 H 1 2.290 0.03 . 2 . . . . 28 E HG2 . 17075 1 371 . 1 1 28 28 GLU C C 13 179.272 0.3 . 1 . . . . 28 E C . 17075 1 372 . 1 1 28 28 GLU CA C 13 59.012 0.3 . 1 . . . . 28 E CA . 17075 1 373 . 1 1 28 28 GLU CB C 13 29.377 0.3 . 1 . . . . 28 E CB . 17075 1 374 . 1 1 28 28 GLU CG C 13 36.684 0.3 . 1 . . . . 28 E CG . 17075 1 375 . 1 1 28 28 GLU N N 15 117.928 0.3 . 1 . . . . 28 E N . 17075 1 376 . 1 1 29 29 ILE H H 1 8.118 0.03 . 1 . . . . 29 I HN . 17075 1 377 . 1 1 29 29 ILE HA H 1 3.774 0.03 . 1 . . . . 29 I HA . 17075 1 378 . 1 1 29 29 ILE HB H 1 1.869 0.03 . 1 . . . . 29 I HB . 17075 1 379 . 1 1 29 29 ILE HD11 H 1 0.601 0.03 . 1 . . . . 29 I HD11 . 17075 1 380 . 1 1 29 29 ILE HD12 H 1 0.601 0.03 . 1 . . . . 29 I HD11 . 17075 1 381 . 1 1 29 29 ILE HD13 H 1 0.601 0.03 . 1 . . . . 29 I HD11 . 17075 1 382 . 1 1 29 29 ILE HG12 H 1 1.012 0.03 . 1 . . . . 29 I HG11 . 17075 1 383 . 1 1 29 29 ILE HG13 H 1 1.471 0.03 . 1 . . . . 29 I HG12 . 17075 1 384 . 1 1 29 29 ILE HG21 H 1 0.740 0.03 . 1 . . . . 29 I HG21 . 17075 1 385 . 1 1 29 29 ILE HG22 H 1 0.740 0.03 . 1 . . . . 29 I HG21 . 17075 1 386 . 1 1 29 29 ILE HG23 H 1 0.740 0.03 . 1 . . . . 29 I HG21 . 17075 1 387 . 1 1 29 29 ILE C C 13 177.536 0.3 . 1 . . . . 29 I C . 17075 1 388 . 1 1 29 29 ILE CA C 13 64.010 0.3 . 1 . . . . 29 I CA . 17075 1 389 . 1 1 29 29 ILE CB C 13 37.889 0.3 . 1 . . . . 29 I CB . 17075 1 390 . 1 1 29 29 ILE CD1 C 13 13.211 0.3 . 1 . . . . 29 I CD1 . 17075 1 391 . 1 1 29 29 ILE CG1 C 13 28.297 0.3 . 1 . . . . 29 I CG1 . 17075 1 392 . 1 1 29 29 ILE CG2 C 13 17.475 0.3 . 1 . . . . 29 I CG2 . 17075 1 393 . 1 1 29 29 ILE N N 15 121.110 0.3 . 1 . . . . 29 I N . 17075 1 394 . 1 1 30 30 GLY H H 1 8.653 0.03 . 1 . . . . 30 G HN . 17075 1 395 . 1 1 30 30 GLY HA2 H 1 3.720 0.03 . 2 . . . . 30 G HA2 . 17075 1 396 . 1 1 30 30 GLY C C 13 175.000 0.3 . 1 . . . . 30 G C . 17075 1 397 . 1 1 30 30 GLY CA C 13 47.350 0.3 . 1 . . . . 30 G CA . 17075 1 398 . 1 1 30 30 GLY N N 15 108.108 0.3 . 1 . . . . 30 G N . 17075 1 399 . 1 1 31 31 ARG H H 1 8.210 0.03 . 1 . . . . 31 R HN . 17075 1 400 . 1 1 31 31 ARG HA H 1 3.990 0.03 . 1 . . . . 31 R HA . 17075 1 401 . 1 1 31 31 ARG HB2 H 1 1.864 0.03 . 2 . . . . 31 R HB2 . 17075 1 402 . 1 1 31 31 ARG HD2 H 1 3.150 0.03 . 2 . . . . 31 R HD1 . 17075 1 403 . 1 1 31 31 ARG HD3 H 1 3.225 0.03 . 2 . . . . 31 R HD2 . 17075 1 404 . 1 1 31 31 ARG HG2 H 1 1.549 0.03 . 2 . . . . 31 R HG1 . 17075 1 405 . 1 1 31 31 ARG HG3 H 1 1.787 0.03 . 2 . . . . 31 R HG2 . 17075 1 406 . 1 1 31 31 ARG C C 13 178.300 0.3 . 1 . . . . 31 R C . 17075 1 407 . 1 1 31 31 ARG CA C 13 59.579 0.3 . 1 . . . . 31 R CA . 17075 1 408 . 1 1 31 31 ARG CB C 13 30.303 0.3 . 1 . . . . 31 R CB . 17075 1 409 . 1 1 31 31 ARG CD C 13 43.457 0.3 . 1 . . . . 31 R CD . 17075 1 410 . 1 1 31 31 ARG CG C 13 28.622 0.3 . 1 . . . . 31 R CG . 17075 1 411 . 1 1 31 31 ARG N N 15 121.082 0.3 . 1 . . . . 31 R N . 17075 1 412 . 1 1 32 32 ALA H H 1 7.947 0.03 . 1 . . . . 32 A HN . 17075 1 413 . 1 1 32 32 ALA HA H 1 4.128 0.03 . 1 . . . . 32 A HA . 17075 1 414 . 1 1 32 32 ALA HB1 H 1 1.477 0.03 . 1 . . . . 32 A HB1 . 17075 1 415 . 1 1 32 32 ALA HB2 H 1 1.477 0.03 . 1 . . . . 32 A HB1 . 17075 1 416 . 1 1 32 32 ALA HB3 H 1 1.477 0.03 . 1 . . . . 32 A HB1 . 17075 1 417 . 1 1 32 32 ALA C C 13 180.200 0.3 . 1 . . . . 32 A C . 17075 1 418 . 1 1 32 32 ALA CA C 13 54.874 0.3 . 1 . . . . 32 A CA . 17075 1 419 . 1 1 32 32 ALA CB C 13 18.414 0.3 . 1 . . . . 32 A CB . 17075 1 420 . 1 1 32 32 ALA N N 15 122.152 0.3 . 1 . . . . 32 A N . 17075 1 421 . 1 1 33 33 ALA H H 1 8.471 0.03 . 1 . . . . 33 A HN . 17075 1 422 . 1 1 33 33 ALA HA H 1 4.024 0.03 . 1 . . . . 33 A HA . 17075 1 423 . 1 1 33 33 ALA HB1 H 1 1.426 0.03 . 1 . . . . 33 A HB1 . 17075 1 424 . 1 1 33 33 ALA HB2 H 1 1.426 0.03 . 1 . . . . 33 A HB1 . 17075 1 425 . 1 1 33 33 ALA HB3 H 1 1.426 0.03 . 1 . . . . 33 A HB1 . 17075 1 426 . 1 1 33 33 ALA C C 13 179.000 0.3 . 1 . . . . 33 A C . 17075 1 427 . 1 1 33 33 ALA CA C 13 54.836 0.3 . 1 . . . . 33 A CA . 17075 1 428 . 1 1 33 33 ALA CB C 13 18.480 0.3 . 1 . . . . 33 A CB . 17075 1 429 . 1 1 33 33 ALA N N 15 121.955 0.3 . 1 . . . . 33 A N . 17075 1 430 . 1 1 34 34 GLY H H 1 8.467 0.03 . 1 . . . . 34 G HN . 17075 1 431 . 1 1 34 34 GLY HA2 H 1 3.667 0.03 . 2 . . . . 34 G HA1 . 17075 1 432 . 1 1 34 34 GLY HA3 H 1 3.783 0.03 . 2 . . . . 34 G HA2 . 17075 1 433 . 1 1 34 34 GLY C C 13 175.000 0.3 . 1 . . . . 34 G C . 17075 1 434 . 1 1 34 34 GLY CA C 13 47.460 0.3 . 1 . . . . 34 G CA . 17075 1 435 . 1 1 34 34 GLY N N 15 105.800 0.3 . 1 . . . . 34 G N . 17075 1 436 . 1 1 35 35 ARG H H 1 8.225 0.03 . 1 . . . . 35 R HN . 17075 1 437 . 1 1 35 35 ARG HA H 1 4.094 0.03 . 1 . . . . 35 R HA . 17075 1 438 . 1 1 35 35 ARG HB2 H 1 1.908 0.03 . 2 . . . . 35 R HB2 . 17075 1 439 . 1 1 35 35 ARG HD2 H 1 3.164 0.03 . 2 . . . . 35 R HD1 . 17075 1 440 . 1 1 35 35 ARG HD3 H 1 3.186 0.03 . 2 . . . . 35 R HD2 . 17075 1 441 . 1 1 35 35 ARG HG2 H 1 1.603 0.03 . 2 . . . . 35 R HG1 . 17075 1 442 . 1 1 35 35 ARG HG3 H 1 1.746 0.03 . 2 . . . . 35 R HG2 . 17075 1 443 . 1 1 35 35 ARG C C 13 178.300 0.3 . 1 . . . . 35 R C . 17075 1 444 . 1 1 35 35 ARG CA C 13 58.890 0.3 . 1 . . . . 35 R CA . 17075 1 445 . 1 1 35 35 ARG CB C 13 30.220 0.3 . 1 . . . . 35 R CB . 17075 1 446 . 1 1 35 35 ARG CD C 13 43.390 0.3 . 1 . . . . 35 R CD . 17075 1 447 . 1 1 35 35 ARG CG C 13 27.727 0.3 . 1 . . . . 35 R CG . 17075 1 448 . 1 1 35 35 ARG N N 15 121.100 0.3 . 1 . . . . 35 R N . 17075 1 449 . 1 1 36 36 THR H H 1 7.911 0.03 . 1 . . . . 36 T HN . 17075 1 450 . 1 1 36 36 THR HA H 1 3.996 0.03 . 1 . . . . 36 T HA . 17075 1 451 . 1 1 36 36 THR HB H 1 4.238 0.03 . 1 . . . . 36 T HB . 17075 1 452 . 1 1 36 36 THR HG21 H 1 1.180 0.03 . 1 . . . . 36 T HG21 . 17075 1 453 . 1 1 36 36 THR HG22 H 1 1.180 0.03 . 1 . . . . 36 T HG21 . 17075 1 454 . 1 1 36 36 THR HG23 H 1 1.180 0.03 . 1 . . . . 36 T HG21 . 17075 1 455 . 1 1 36 36 THR C C 13 176.132 0.3 . 1 . . . . 36 T C . 17075 1 456 . 1 1 36 36 THR CA C 13 66.239 0.3 . 1 . . . . 36 T CA . 17075 1 457 . 1 1 36 36 THR CB C 13 68.920 0.3 . 1 . . . . 36 T CB . 17075 1 458 . 1 1 36 36 THR CG2 C 13 22.000 0.3 . 1 . . . . 36 T CG2 . 17075 1 459 . 1 1 36 36 THR N N 15 116.074 0.3 . 1 . . . . 36 T N . 17075 1 460 . 1 1 37 37 LEU H H 1 8.229 0.03 . 1 . . . . 37 L HN . 17075 1 461 . 1 1 37 37 LEU HA H 1 4.070 0.03 . 1 . . . . 37 L HA . 17075 1 462 . 1 1 37 37 LEU HB2 H 1 1.619 0.03 . 2 . . . . 37 L HB1 . 17075 1 463 . 1 1 37 37 LEU HB3 H 1 1.819 0.03 . 2 . . . . 37 L HB2 . 17075 1 464 . 1 1 37 37 LEU HD11 H 1 0.847 0.03 . 2 . . . . 37 L HD11 . 17075 1 465 . 1 1 37 37 LEU HD12 H 1 0.847 0.03 . 2 . . . . 37 L HD11 . 17075 1 466 . 1 1 37 37 LEU HD13 H 1 0.847 0.03 . 2 . . . . 37 L HD11 . 17075 1 467 . 1 1 37 37 LEU HD21 H 1 0.881 0.03 . 2 . . . . 37 L HD21 . 17075 1 468 . 1 1 37 37 LEU HD22 H 1 0.881 0.03 . 2 . . . . 37 L HD21 . 17075 1 469 . 1 1 37 37 LEU HD23 H 1 0.881 0.03 . 2 . . . . 37 L HD21 . 17075 1 470 . 1 1 37 37 LEU HG H 1 1.769 0.03 . 1 . . . . 37 L HG . 17075 1 471 . 1 1 37 37 LEU C C 13 178.400 0.3 . 1 . . . . 37 L C . 17075 1 472 . 1 1 37 37 LEU CA C 13 58.053 0.3 . 1 . . . . 37 L CA . 17075 1 473 . 1 1 37 37 LEU CB C 13 42.020 0.3 . 1 . . . . 37 L CB . 17075 1 474 . 1 1 37 37 LEU CD1 C 13 24.200 0.3 . 1 . . . . 37 L CD1 . 17075 1 475 . 1 1 37 37 LEU CD2 C 13 25.191 0.3 . 1 . . . . 37 L CD2 . 17075 1 476 . 1 1 37 37 LEU CG C 13 27.204 0.3 . 1 . . . . 37 L CG . 17075 1 477 . 1 1 37 37 LEU N N 15 121.827 0.3 . 1 . . . . 37 L N . 17075 1 478 . 1 1 38 38 LEU H H 1 7.914 0.03 . 1 . . . . 38 L HN . 17075 1 479 . 1 1 38 38 LEU HA H 1 4.055 0.03 . 1 . . . . 38 L HA . 17075 1 480 . 1 1 38 38 LEU HB2 H 1 1.585 0.03 . 2 . . . . 38 L HB1 . 17075 1 481 . 1 1 38 38 LEU HB3 H 1 1.836 0.03 . 2 . . . . 38 L HB2 . 17075 1 482 . 1 1 38 38 LEU HD11 H 1 0.881 0.03 . 2 . . . . 38 L HD11 . 17075 1 483 . 1 1 38 38 LEU HD12 H 1 0.881 0.03 . 2 . . . . 38 L HD11 . 17075 1 484 . 1 1 38 38 LEU HD13 H 1 0.881 0.03 . 2 . . . . 38 L HD11 . 17075 1 485 . 1 1 38 38 LEU HD21 H 1 0.857 0.03 . 2 . . . . 38 L HD21 . 17075 1 486 . 1 1 38 38 LEU HD22 H 1 0.857 0.03 . 2 . . . . 38 L HD21 . 17075 1 487 . 1 1 38 38 LEU HD23 H 1 0.857 0.03 . 2 . . . . 38 L HD21 . 17075 1 488 . 1 1 38 38 LEU HG H 1 1.750 0.03 . 1 . . . . 38 L HG . 17075 1 489 . 1 1 38 38 LEU C C 13 179.300 0.3 . 1 . . . . 38 L C . 17075 1 490 . 1 1 38 38 LEU CA C 13 57.535 0.3 . 1 . . . . 38 L CA . 17075 1 491 . 1 1 38 38 LEU CB C 13 41.423 0.3 . 1 . . . . 38 L CB . 17075 1 492 . 1 1 38 38 LEU CD1 C 13 25.166 0.3 . 1 . . . . 38 L CD1 . 17075 1 493 . 1 1 38 38 LEU CD2 C 13 23.583 0.3 . 1 . . . . 38 L CD2 . 17075 1 494 . 1 1 38 38 LEU CG C 13 26.772 0.3 . 1 . . . . 38 L CG . 17075 1 495 . 1 1 38 38 LEU N N 15 118.331 0.3 . 1 . . . . 38 L N . 17075 1 496 . 1 1 39 39 GLU H H 1 7.920 0.03 . 1 . . . . 39 E HN . 17075 1 497 . 1 1 39 39 GLU HA H 1 4.118 0.03 . 1 . . . . 39 E HA . 17075 1 498 . 1 1 39 39 GLU HB2 H 1 2.005 0.03 . 2 . . . . 39 E HB1 . 17075 1 499 . 1 1 39 39 GLU HB3 H 1 2.085 0.03 . 2 . . . . 39 E HB2 . 17075 1 500 . 1 1 39 39 GLU HG2 H 1 2.190 0.03 . 2 . . . . 39 E HG1 . 17075 1 501 . 1 1 39 39 GLU HG3 H 1 2.318 0.03 . 2 . . . . 39 E HG2 . 17075 1 502 . 1 1 39 39 GLU C C 13 178.500 0.3 . 1 . . . . 39 E C . 17075 1 503 . 1 1 39 39 GLU CA C 13 58.110 0.3 . 1 . . . . 39 E CA . 17075 1 504 . 1 1 39 39 GLU CB C 13 29.450 0.3 . 1 . . . . 39 E CB . 17075 1 505 . 1 1 39 39 GLU CG C 13 36.503 0.3 . 1 . . . . 39 E CG . 17075 1 506 . 1 1 39 39 GLU N N 15 119.782 0.3 . 1 . . . . 39 E N . 17075 1 507 . 1 1 40 40 PHE H H 1 8.113 0.03 . 1 . . . . 40 F HN . 17075 1 508 . 1 1 40 40 PHE HA H 1 4.420 0.03 . 1 . . . . 40 F HA . 17075 1 509 . 1 1 40 40 PHE HB2 H 1 3.218 0.03 . 2 . . . . 40 F HB1 . 17075 1 510 . 1 1 40 40 PHE HB3 H 1 3.173 0.03 . 2 . . . . 40 F HB2 . 17075 1 511 . 1 1 40 40 PHE HD1 H 1 7.229 0.03 . 3 . . . . 40 F HD1 . 17075 1 512 . 1 1 40 40 PHE HE1 H 1 7.260 0.03 . 3 . . . . 40 F HE1 . 17075 1 513 . 1 1 40 40 PHE HZ H 1 7.196 0.03 . 1 . . . . 40 F HZ . 17075 1 514 . 1 1 40 40 PHE C C 13 177.250 0.3 . 1 . . . . 40 F C . 17075 1 515 . 1 1 40 40 PHE CA C 13 59.820 0.3 . 1 . . . . 40 F CA . 17075 1 516 . 1 1 40 40 PHE CB C 13 39.031 0.3 . 1 . . . . 40 F CB . 17075 1 517 . 1 1 40 40 PHE CD1 C 13 131.700 0.3 . 3 . . . . 40 F CD1 . 17075 1 518 . 1 1 40 40 PHE CE1 C 13 131.800 0.3 . 3 . . . . 40 F CE1 . 17075 1 519 . 1 1 40 40 PHE CZ C 13 129.700 0.3 . 1 . . . . 40 F CZ . 17075 1 520 . 1 1 40 40 PHE N N 15 120.467 0.3 . 1 . . . . 40 F N . 17075 1 521 . 1 1 41 41 LYS H H 1 8.224 0.03 . 1 . . . . 41 K HN . 17075 1 522 . 1 1 41 41 LYS HA H 1 4.040 0.03 . 1 . . . . 41 K HA . 17075 1 523 . 1 1 41 41 LYS HB2 H 1 1.843 0.03 . 2 . . . . 41 K HB1 . 17075 1 524 . 1 1 41 41 LYS HB3 H 1 1.939 0.03 . 2 . . . . 41 K HB2 . 17075 1 525 . 1 1 41 41 LYS HD2 H 1 1.664 0.03 . 2 . . . . 41 K HD2 . 17075 1 526 . 1 1 41 41 LYS HE2 H 1 2.899 0.03 . 2 . . . . 41 K HE2 . 17075 1 527 . 1 1 41 41 LYS HG2 H 1 1.461 0.03 . 2 . . . . 41 K HG2 . 17075 1 528 . 1 1 41 41 LYS C C 13 177.500 0.3 . 1 . . . . 41 K C . 17075 1 529 . 1 1 41 41 LYS CA C 13 58.187 0.3 . 1 . . . . 41 K CA . 17075 1 530 . 1 1 41 41 LYS CB C 13 32.595 0.3 . 1 . . . . 41 K CB . 17075 1 531 . 1 1 41 41 LYS CD C 13 29.340 0.3 . 1 . . . . 41 K CD . 17075 1 532 . 1 1 41 41 LYS CE C 13 41.673 0.3 . 1 . . . . 41 K CE . 17075 1 533 . 1 1 41 41 LYS CG C 13 24.959 0.3 . 1 . . . . 41 K CG . 17075 1 534 . 1 1 41 41 LYS N N 15 120.878 0.3 . 1 . . . . 41 K N . 17075 1 535 . 1 1 42 42 SER H H 1 8.141 0.03 . 1 . . . . 42 S HN . 17075 1 536 . 1 1 42 42 SER HA H 1 4.267 0.03 . 1 . . . . 42 S HA . 17075 1 537 . 1 1 42 42 SER HB2 H 1 3.912 0.03 . 2 . . . . 42 S HB2 . 17075 1 538 . 1 1 42 42 SER C C 13 175.419 0.3 . 1 . . . . 42 S C . 17075 1 539 . 1 1 42 42 SER CA C 13 60.106 0.3 . 1 . . . . 42 S CA . 17075 1 540 . 1 1 42 42 SER CB C 13 63.392 0.3 . 1 . . . . 42 S CB . 17075 1 541 . 1 1 42 42 SER N N 15 115.470 0.3 . 1 . . . . 42 S N . 17075 1 542 . 1 1 43 43 ALA H H 1 8.146 0.03 . 1 . . . . 43 A HN . 17075 1 543 . 1 1 43 43 ALA HA H 1 4.277 0.03 . 1 . . . . 43 A HA . 17075 1 544 . 1 1 43 43 ALA HB1 H 1 1.427 0.03 . 1 . . . . 43 A HB1 . 17075 1 545 . 1 1 43 43 ALA HB2 H 1 1.427 0.03 . 1 . . . . 43 A HB1 . 17075 1 546 . 1 1 43 43 ALA HB3 H 1 1.427 0.03 . 1 . . . . 43 A HB1 . 17075 1 547 . 1 1 43 43 ALA C C 13 178.570 0.3 . 1 . . . . 43 A C . 17075 1 548 . 1 1 43 43 ALA CA C 13 53.682 0.3 . 1 . . . . 43 A CA . 17075 1 549 . 1 1 43 43 ALA CB C 13 18.957 0.3 . 1 . . . . 43 A CB . 17075 1 550 . 1 1 43 43 ALA N N 15 125.115 0.3 . 1 . . . . 43 A N . 17075 1 551 . 1 1 44 44 THR H H 1 7.935 0.03 . 1 . . . . 44 T HN . 17075 1 552 . 1 1 44 44 THR HA H 1 4.096 0.03 . 1 . . . . 44 T HA . 17075 1 553 . 1 1 44 44 THR HB H 1 4.146 0.03 . 1 . . . . 44 T HB . 17075 1 554 . 1 1 44 44 THR HG21 H 1 1.093 0.03 . 1 . . . . 44 T HG21 . 17075 1 555 . 1 1 44 44 THR HG22 H 1 1.093 0.03 . 1 . . . . 44 T HG21 . 17075 1 556 . 1 1 44 44 THR HG23 H 1 1.093 0.03 . 1 . . . . 44 T HG21 . 17075 1 557 . 1 1 44 44 THR C C 13 175.300 0.3 . 1 . . . . 44 T C . 17075 1 558 . 1 1 44 44 THR CA C 13 63.380 0.3 . 1 . . . . 44 T CA . 17075 1 559 . 1 1 44 44 THR CB C 13 69.326 0.3 . 1 . . . . 44 T CB . 17075 1 560 . 1 1 44 44 THR CG2 C 13 21.922 0.3 . 1 . . . . 44 T CG2 . 17075 1 561 . 1 1 44 44 THR N N 15 112.205 0.3 . 1 . . . . 44 T N . 17075 1 562 . 1 1 45 45 LYS H H 1 8.024 0.03 . 1 . . . . 45 K HN . 17075 1 563 . 1 1 45 45 LYS HA H 1 4.168 0.03 . 1 . . . . 45 K HA . 17075 1 564 . 1 1 45 45 LYS HB2 H 1 1.820 0.03 . 2 . . . . 45 K HB1 . 17075 1 565 . 1 1 45 45 LYS HB3 H 1 1.854 0.03 . 2 . . . . 45 K HB2 . 17075 1 566 . 1 1 45 45 LYS HD2 H 1 1.648 0.03 . 2 . . . . 45 K HD2 . 17075 1 567 . 1 1 45 45 LYS HE2 H 1 2.932 0.03 . 2 . . . . 45 K HE2 . 17075 1 568 . 1 1 45 45 LYS HG2 H 1 1.425 0.03 . 2 . . . . 45 K HG2 . 17075 1 569 . 1 1 45 45 LYS C C 13 177.300 0.3 . 1 . . . . 45 K C . 17075 1 570 . 1 1 45 45 LYS CA C 13 57.658 0.3 . 1 . . . . 45 K CA . 17075 1 571 . 1 1 45 45 LYS CB C 13 32.672 0.3 . 1 . . . . 45 K CB . 17075 1 572 . 1 1 45 45 LYS CD C 13 28.688 0.3 . 1 . . . . 45 K CD . 17075 1 573 . 1 1 45 45 LYS CE C 13 41.750 0.3 . 1 . . . . 45 K CE . 17075 1 574 . 1 1 45 45 LYS CG C 13 24.627 0.3 . 1 . . . . 45 K CG . 17075 1 575 . 1 1 45 45 LYS N N 15 123.368 0.3 . 1 . . . . 45 K N . 17075 1 576 . 1 1 46 46 SER H H 1 8.192 0.03 . 1 . . . . 46 S HN . 17075 1 577 . 1 1 46 46 SER HA H 1 4.346 0.03 . 1 . . . . 46 S HA . 17075 1 578 . 1 1 46 46 SER HB2 H 1 3.844 0.03 . 2 . . . . 46 S HB2 . 17075 1 579 . 1 1 46 46 SER C C 13 174.900 0.3 . 1 . . . . 46 S C . 17075 1 580 . 1 1 46 46 SER CA C 13 59.390 0.3 . 1 . . . . 46 S CA . 17075 1 581 . 1 1 46 46 SER CB C 13 63.474 0.3 . 1 . . . . 46 S CB . 17075 1 582 . 1 1 46 46 SER N N 15 116.276 0.3 . 1 . . . . 46 S N . 17075 1 583 . 1 1 47 47 LEU H H 1 8.086 0.03 . 1 . . . . 47 L HN . 17075 1 584 . 1 1 47 47 LEU HA H 1 4.277 0.03 . 1 . . . . 47 L HA . 17075 1 585 . 1 1 47 47 LEU HB2 H 1 1.568 0.03 . 2 . . . . 47 L HB1 . 17075 1 586 . 1 1 47 47 LEU HB3 H 1 1.711 0.03 . 2 . . . . 47 L HB2 . 17075 1 587 . 1 1 47 47 LEU HD11 H 1 0.880 0.03 . 2 . . . . 47 L HD11 . 17075 1 588 . 1 1 47 47 LEU HD12 H 1 0.880 0.03 . 2 . . . . 47 L HD11 . 17075 1 589 . 1 1 47 47 LEU HD13 H 1 0.880 0.03 . 2 . . . . 47 L HD11 . 17075 1 590 . 1 1 47 47 LEU HD21 H 1 0.833 0.03 . 2 . . . . 47 L HD21 . 17075 1 591 . 1 1 47 47 LEU HD22 H 1 0.833 0.03 . 2 . . . . 47 L HD21 . 17075 1 592 . 1 1 47 47 LEU HD23 H 1 0.833 0.03 . 2 . . . . 47 L HD21 . 17075 1 593 . 1 1 47 47 LEU HG H 1 1.670 0.03 . 1 . . . . 47 L HG . 17075 1 594 . 1 1 47 47 LEU C C 13 177.220 0.3 . 1 . . . . 47 L C . 17075 1 595 . 1 1 47 47 LEU CA C 13 55.931 0.3 . 1 . . . . 47 L CA . 17075 1 596 . 1 1 47 47 LEU CB C 13 42.626 0.3 . 1 . . . . 47 L CB . 17075 1 597 . 1 1 47 47 LEU CD1 C 13 25.170 0.3 . 1 . . . . 47 L CD1 . 17075 1 598 . 1 1 47 47 LEU CD2 C 13 23.991 0.3 . 1 . . . . 47 L CD2 . 17075 1 599 . 1 1 47 47 LEU CG C 13 26.849 0.3 . 1 . . . . 47 L CG . 17075 1 600 . 1 1 47 47 LEU N N 15 123.450 0.3 . 1 . . . . 47 L N . 17075 1 601 . 1 1 48 48 VAL H H 1 7.824 0.03 . 1 . . . . 48 V HN . 17075 1 602 . 1 1 48 48 VAL HA H 1 4.154 0.03 . 1 . . . . 48 V HA . 17075 1 603 . 1 1 48 48 VAL HB H 1 2.114 0.03 . 1 . . . . 48 V HB . 17075 1 604 . 1 1 48 48 VAL HG11 H 1 0.892 0.03 . 2 . . . . 48 V HG11 . 17075 1 605 . 1 1 48 48 VAL HG12 H 1 0.892 0.03 . 2 . . . . 48 V HG11 . 17075 1 606 . 1 1 48 48 VAL HG13 H 1 0.892 0.03 . 2 . . . . 48 V HG11 . 17075 1 607 . 1 1 48 48 VAL HG21 H 1 0.885 0.03 . 2 . . . . 48 V HG21 . 17075 1 608 . 1 1 48 48 VAL HG22 H 1 0.885 0.03 . 2 . . . . 48 V HG21 . 17075 1 609 . 1 1 48 48 VAL HG23 H 1 0.885 0.03 . 2 . . . . 48 V HG21 . 17075 1 610 . 1 1 48 48 VAL C C 13 176.014 0.3 . 1 . . . . 48 V C . 17075 1 611 . 1 1 48 48 VAL CA C 13 62.113 0.3 . 1 . . . . 48 V CA . 17075 1 612 . 1 1 48 48 VAL CB C 13 32.872 0.3 . 1 . . . . 48 V CB . 17075 1 613 . 1 1 48 48 VAL CG1 C 13 20.485 0.3 . 1 . . . . 48 V CG1 . 17075 1 614 . 1 1 48 48 VAL CG2 C 13 21.486 0.3 . 1 . . . . 48 V CG2 . 17075 1 615 . 1 1 48 48 VAL N N 15 117.115 0.3 . 1 . . . . 48 V N . 17075 1 616 . 1 1 49 49 SER H H 1 8.283 0.03 . 1 . . . . 49 S HN . 17075 1 617 . 1 1 49 49 SER HA H 1 4.430 0.03 . 1 . . . . 49 S HA . 17075 1 618 . 1 1 49 49 SER HB2 H 1 3.831 0.03 . 2 . . . . 49 S HB1 . 17075 1 619 . 1 1 49 49 SER HB3 H 1 3.849 0.03 . 2 . . . . 49 S HB2 . 17075 1 620 . 1 1 49 49 SER C C 13 175.000 0.3 . 1 . . . . 49 S C . 17075 1 621 . 1 1 49 49 SER CA C 13 58.669 0.3 . 1 . . . . 49 S CA . 17075 1 622 . 1 1 49 49 SER CB C 13 64.163 0.3 . 1 . . . . 49 S CB . 17075 1 623 . 1 1 49 49 SER N N 15 118.766 0.3 . 1 . . . . 49 S N . 17075 1 624 . 1 1 50 50 GLY H H 1 8.409 0.03 . 1 . . . . 50 G HN . 17075 1 625 . 1 1 50 50 GLY HA2 H 1 3.960 0.03 . 2 . . . . 50 G HA2 . 17075 1 626 . 1 1 50 50 GLY C C 13 173.849 0.3 . 1 . . . . 50 G C . 17075 1 627 . 1 1 50 50 GLY CA C 13 45.343 0.3 . 1 . . . . 50 G CA . 17075 1 628 . 1 1 50 50 GLY N N 15 111.601 0.3 . 1 . . . . 50 G N . 17075 1 629 . 1 1 51 51 ASP H H 1 8.268 0.03 . 1 . . . . 51 D HN . 17075 1 630 . 1 1 51 51 ASP HA H 1 4.570 0.03 . 1 . . . . 51 D HA . 17075 1 631 . 1 1 51 51 ASP HB2 H 1 2.533 0.03 . 2 . . . . 51 D HB1 . 17075 1 632 . 1 1 51 51 ASP HB3 H 1 2.650 0.03 . 2 . . . . 51 D HB2 . 17075 1 633 . 1 1 51 51 ASP C C 13 176.470 0.3 . 1 . . . . 51 D C . 17075 1 634 . 1 1 51 51 ASP CA C 13 54.202 0.3 . 1 . . . . 51 D CA . 17075 1 635 . 1 1 51 51 ASP CB C 13 41.330 0.3 . 1 . . . . 51 D CB . 17075 1 636 . 1 1 51 51 ASP N N 15 121.061 0.3 . 1 . . . . 51 D N . 17075 1 637 . 1 1 52 52 GLU H H 1 8.470 0.03 . 1 . . . . 52 E HN . 17075 1 638 . 1 1 52 52 GLU HA H 1 4.200 0.03 . 1 . . . . 52 E HA . 17075 1 639 . 1 1 52 52 GLU HB2 H 1 1.914 0.03 . 2 . . . . 52 E HB1 . 17075 1 640 . 1 1 52 52 GLU HB3 H 1 2.001 0.03 . 2 . . . . 52 E HB2 . 17075 1 641 . 1 1 52 52 GLU HG2 H 1 2.199 0.03 . 2 . . . . 52 E HG1 . 17075 1 642 . 1 1 52 52 GLU HG3 H 1 2.241 0.03 . 2 . . . . 52 E HG2 . 17075 1 643 . 1 1 52 52 GLU C C 13 176.600 0.3 . 1 . . . . 52 E C . 17075 1 644 . 1 1 52 52 GLU CA C 13 56.877 0.3 . 1 . . . . 52 E CA . 17075 1 645 . 1 1 52 52 GLU CB C 13 30.068 0.3 . 1 . . . . 52 E CB . 17075 1 646 . 1 1 52 52 GLU CG C 13 36.085 0.3 . 1 . . . . 52 E CG . 17075 1 647 . 1 1 52 52 GLU N N 15 122.321 0.3 . 1 . . . . 52 E N . 17075 1 648 . 1 1 53 53 LYS H H 1 8.326 0.03 . 1 . . . . 53 K HN . 17075 1 649 . 1 1 53 53 LYS HA H 1 4.248 0.03 . 1 . . . . 53 K HA . 17075 1 650 . 1 1 53 53 LYS HB2 H 1 1.725 0.03 . 2 . . . . 53 K HB1 . 17075 1 651 . 1 1 53 53 LYS HB3 H 1 1.792 0.03 . 2 . . . . 53 K HB2 . 17075 1 652 . 1 1 53 53 LYS HD2 H 1 1.621 0.03 . 2 . . . . 53 K HD2 . 17075 1 653 . 1 1 53 53 LYS HE2 H 1 2.940 0.03 . 2 . . . . 53 K HE2 . 17075 1 654 . 1 1 53 53 LYS HG2 H 1 1.374 0.03 . 2 . . . . 53 K HG2 . 17075 1 655 . 1 1 53 53 LYS C C 13 176.600 0.3 . 1 . . . . 53 K C . 17075 1 656 . 1 1 53 53 LYS CA C 13 56.330 0.3 . 1 . . . . 53 K CA . 17075 1 657 . 1 1 53 53 LYS CB C 13 32.999 0.3 . 1 . . . . 53 K CB . 17075 1 658 . 1 1 53 53 LYS CD C 13 29.064 0.3 . 1 . . . . 53 K CD . 17075 1 659 . 1 1 53 53 LYS CE C 13 42.120 0.3 . 1 . . . . 53 K CE . 17075 1 660 . 1 1 53 53 LYS CG C 13 24.608 0.3 . 1 . . . . 53 K CG . 17075 1 661 . 1 1 53 53 LYS N N 15 122.557 0.3 . 1 . . . . 53 K N . 17075 1 662 . 1 1 54 54 GLU H H 1 8.323 0.03 . 1 . . . . 54 E HN . 17075 1 663 . 1 1 54 54 GLU HA H 1 4.204 0.03 . 1 . . . . 54 E HA . 17075 1 664 . 1 1 54 54 GLU HB2 H 1 1.902 0.03 . 2 . . . . 54 E HB1 . 17075 1 665 . 1 1 54 54 GLU HB3 H 1 1.973 0.03 . 2 . . . . 54 E HB2 . 17075 1 666 . 1 1 54 54 GLU HG2 H 1 2.183 0.03 . 2 . . . . 54 E HG2 . 17075 1 667 . 1 1 54 54 GLU C C 13 176.500 0.3 . 1 . . . . 54 E C . 17075 1 668 . 1 1 54 54 GLU CA C 13 56.405 0.3 . 1 . . . . 54 E CA . 17075 1 669 . 1 1 54 54 GLU CB C 13 30.220 0.3 . 1 . . . . 54 E CB . 17075 1 670 . 1 1 54 54 GLU CG C 13 36.120 0.3 . 1 . . . . 54 E CG . 17075 1 671 . 1 1 54 54 GLU N N 15 122.709 0.3 . 1 . . . . 54 E N . 17075 1 672 . 1 1 55 55 GLU H H 1 8.444 0.03 . 1 . . . . 55 E HN . 17075 1 673 . 1 1 55 55 GLU HA H 1 4.219 0.03 . 1 . . . . 55 E HA . 17075 1 674 . 1 1 55 55 GLU HB2 H 1 1.881 0.03 . 2 . . . . 55 E HB1 . 17075 1 675 . 1 1 55 55 GLU HB3 H 1 1.981 0.03 . 2 . . . . 55 E HB2 . 17075 1 676 . 1 1 55 55 GLU HG2 H 1 2.206 0.03 . 2 . . . . 55 E HG2 . 17075 1 677 . 1 1 55 55 GLU C C 13 176.560 0.3 . 1 . . . . 55 E C . 17075 1 678 . 1 1 55 55 GLU CA C 13 56.540 0.3 . 1 . . . . 55 E CA . 17075 1 679 . 1 1 55 55 GLU CB C 13 30.187 0.3 . 1 . . . . 55 E CB . 17075 1 680 . 1 1 55 55 GLU CG C 13 36.088 0.3 . 1 . . . . 55 E CG . 17075 1 681 . 1 1 55 55 GLU N N 15 123.800 0.3 . 1 . . . . 55 E N . 17075 1 682 . 1 1 56 56 LYS H H 1 8.370 0.03 . 1 . . . . 56 K HN . 17075 1 683 . 1 1 56 56 LYS HA H 1 4.319 0.03 . 1 . . . . 56 K HA . 17075 1 684 . 1 1 56 56 LYS HB2 H 1 1.732 0.03 . 2 . . . . 56 K HB1 . 17075 1 685 . 1 1 56 56 LYS HB3 H 1 1.789 0.03 . 2 . . . . 56 K HB2 . 17075 1 686 . 1 1 56 56 LYS HD2 H 1 1.620 0.03 . 2 . . . . 56 K HD2 . 17075 1 687 . 1 1 56 56 LYS HE2 H 1 2.940 0.03 . 2 . . . . 56 K HE2 . 17075 1 688 . 1 1 56 56 LYS HG2 H 1 1.389 0.03 . 2 . . . . 56 K HG2 . 17075 1 689 . 1 1 56 56 LYS C C 13 176.750 0.3 . 1 . . . . 56 K C . 17075 1 690 . 1 1 56 56 LYS CA C 13 56.246 0.3 . 1 . . . . 56 K CA . 17075 1 691 . 1 1 56 56 LYS CB C 13 32.825 0.3 . 1 . . . . 56 K CB . 17075 1 692 . 1 1 56 56 LYS CD C 13 29.000 0.3 . 1 . . . . 56 K CD . 17075 1 693 . 1 1 56 56 LYS CE C 13 42.210 0.3 . 1 . . . . 56 K CE . 17075 1 694 . 1 1 56 56 LYS CG C 13 24.550 0.3 . 1 . . . . 56 K CG . 17075 1 695 . 1 1 56 56 LYS N N 15 123.514 0.3 . 1 . . . . 56 K N . 17075 1 696 . 1 1 57 57 SER H H 1 8.340 0.03 . 1 . . . . 57 S HN . 17075 1 697 . 1 1 57 57 SER HA H 1 4.343 0.03 . 1 . . . . 57 S HA . 17075 1 698 . 1 1 57 57 SER HB2 H 1 3.849 0.03 . 2 . . . . 57 S HB2 . 17075 1 699 . 1 1 57 57 SER C C 13 174.700 0.3 . 1 . . . . 57 S C . 17075 1 700 . 1 1 57 57 SER CA C 13 58.481 0.3 . 1 . . . . 57 S CA . 17075 1 701 . 1 1 57 57 SER CB C 13 63.692 0.3 . 1 . . . . 57 S CB . 17075 1 702 . 1 1 57 57 SER N N 15 117.848 0.3 . 1 . . . . 57 S N . 17075 1 703 . 1 1 58 58 ALA H H 1 8.402 0.03 . 1 . . . . 58 A HN . 17075 1 704 . 1 1 58 58 ALA HA H 1 4.258 0.03 . 1 . . . . 58 A HA . 17075 1 705 . 1 1 58 58 ALA HB1 H 1 1.358 0.03 . 1 . . . . 58 A HB1 . 17075 1 706 . 1 1 58 58 ALA HB2 H 1 1.358 0.03 . 1 . . . . 58 A HB1 . 17075 1 707 . 1 1 58 58 ALA HB3 H 1 1.358 0.03 . 1 . . . . 58 A HB1 . 17075 1 708 . 1 1 58 58 ALA C C 13 177.950 0.3 . 1 . . . . 58 A C . 17075 1 709 . 1 1 58 58 ALA CA C 13 52.922 0.3 . 1 . . . . 58 A CA . 17075 1 710 . 1 1 58 58 ALA CB C 13 19.033 0.3 . 1 . . . . 58 A CB . 17075 1 711 . 1 1 58 58 ALA N N 15 127.036 0.3 . 1 . . . . 58 A N . 17075 1 712 . 1 1 59 59 GLU H H 1 8.284 0.03 . 1 . . . . 59 E HN . 17075 1 713 . 1 1 59 59 GLU HA H 1 4.210 0.03 . 1 . . . . 59 E HA . 17075 1 714 . 1 1 59 59 GLU HB2 H 1 1.888 0.03 . 2 . . . . 59 E HB1 . 17075 1 715 . 1 1 59 59 GLU HB3 H 1 1.982 0.03 . 2 . . . . 59 E HB2 . 17075 1 716 . 1 1 59 59 GLU HG2 H 1 2.200 0.03 . 2 . . . . 59 E HG2 . 17075 1 717 . 1 1 59 59 GLU C C 13 176.800 0.3 . 1 . . . . 59 E C . 17075 1 718 . 1 1 59 59 GLU CA C 13 56.808 0.3 . 1 . . . . 59 E CA . 17075 1 719 . 1 1 59 59 GLU CB C 13 29.990 0.3 . 1 . . . . 59 E CB . 17075 1 720 . 1 1 59 59 GLU CG C 13 36.178 0.3 . 1 . . . . 59 E CG . 17075 1 721 . 1 1 59 59 GLU N N 15 120.191 0.3 . 1 . . . . 59 E N . 17075 1 722 . 1 1 60 60 LEU H H 1 8.171 0.03 . 1 . . . . 60 L HN . 17075 1 723 . 1 1 60 60 LEU HA H 1 4.332 0.03 . 1 . . . . 60 L HA . 17075 1 724 . 1 1 60 60 LEU HB2 H 1 1.574 0.03 . 2 . . . . 60 L HB1 . 17075 1 725 . 1 1 60 60 LEU HB3 H 1 1.637 0.03 . 2 . . . . 60 L HB2 . 17075 1 726 . 1 1 60 60 LEU HD11 H 1 0.886 0.03 . 2 . . . . 60 L HD11 . 17075 1 727 . 1 1 60 60 LEU HD12 H 1 0.886 0.03 . 2 . . . . 60 L HD11 . 17075 1 728 . 1 1 60 60 LEU HD13 H 1 0.886 0.03 . 2 . . . . 60 L HD11 . 17075 1 729 . 1 1 60 60 LEU HD21 H 1 0.828 0.03 . 2 . . . . 60 L HD21 . 17075 1 730 . 1 1 60 60 LEU HD22 H 1 0.828 0.03 . 2 . . . . 60 L HD21 . 17075 1 731 . 1 1 60 60 LEU HD23 H 1 0.828 0.03 . 2 . . . . 60 L HD21 . 17075 1 732 . 1 1 60 60 LEU HG H 1 1.591 0.03 . 1 . . . . 60 L HG . 17075 1 733 . 1 1 60 60 LEU C C 13 177.800 0.3 . 1 . . . . 60 L C . 17075 1 734 . 1 1 60 60 LEU CA C 13 55.505 0.3 . 1 . . . . 60 L CA . 17075 1 735 . 1 1 60 60 LEU CB C 13 42.096 0.3 . 1 . . . . 60 L CB . 17075 1 736 . 1 1 60 60 LEU CD1 C 13 24.788 0.3 . 1 . . . . 60 L CD1 . 17075 1 737 . 1 1 60 60 LEU CD2 C 13 23.283 0.3 . 1 . . . . 60 L CD2 . 17075 1 738 . 1 1 60 60 LEU CG C 13 26.907 0.3 . 1 . . . . 60 L CG . 17075 1 739 . 1 1 60 60 LEU N N 15 123.201 0.3 . 1 . . . . 60 L N . 17075 1 740 . 1 1 61 61 THR H H 1 7.977 0.03 . 1 . . . . 61 T HN . 17075 1 741 . 1 1 61 61 THR HA H 1 4.233 0.03 . 1 . . . . 61 T HA . 17075 1 742 . 1 1 61 61 THR HB H 1 4.168 0.03 . 1 . . . . 61 T HB . 17075 1 743 . 1 1 61 61 THR HG21 H 1 1.150 0.03 . 1 . . . . 61 T HG21 . 17075 1 744 . 1 1 61 61 THR HG22 H 1 1.150 0.03 . 1 . . . . 61 T HG21 . 17075 1 745 . 1 1 61 61 THR HG23 H 1 1.150 0.03 . 1 . . . . 61 T HG21 . 17075 1 746 . 1 1 61 61 THR C C 13 174.250 0.3 . 1 . . . . 61 T C . 17075 1 747 . 1 1 61 61 THR CA C 13 61.978 0.3 . 1 . . . . 61 T CA . 17075 1 748 . 1 1 61 61 THR CB C 13 69.603 0.3 . 1 . . . . 61 T CB . 17075 1 749 . 1 1 61 61 THR CG2 C 13 21.562 0.3 . 1 . . . . 61 T CG2 . 17075 1 750 . 1 1 61 61 THR N N 15 114.785 0.3 . 1 . . . . 61 T N . 17075 1 751 . 1 1 62 62 ALA H H 1 8.135 0.03 . 1 . . . . 62 A HN . 17075 1 752 . 1 1 62 62 ALA HA H 1 4.301 0.03 . 1 . . . . 62 A HA . 17075 1 753 . 1 1 62 62 ALA HB1 H 1 1.314 0.03 . 1 . . . . 62 A HB1 . 17075 1 754 . 1 1 62 62 ALA HB2 H 1 1.314 0.03 . 1 . . . . 62 A HB1 . 17075 1 755 . 1 1 62 62 ALA HB3 H 1 1.314 0.03 . 1 . . . . 62 A HB1 . 17075 1 756 . 1 1 62 62 ALA C C 13 177.600 0.3 . 1 . . . . 62 A C . 17075 1 757 . 1 1 62 62 ALA CA C 13 52.517 0.3 . 1 . . . . 62 A CA . 17075 1 758 . 1 1 62 62 ALA CB C 13 19.033 0.3 . 1 . . . . 62 A CB . 17075 1 759 . 1 1 62 62 ALA N N 15 126.887 0.3 . 1 . . . . 62 A N . 17075 1 760 . 1 1 63 63 VAL H H 1 8.006 0.03 . 1 . . . . 63 V HN . 17075 1 761 . 1 1 63 63 VAL HA H 1 4.007 0.03 . 1 . . . . 63 V HA . 17075 1 762 . 1 1 63 63 VAL HB H 1 1.992 0.03 . 1 . . . . 63 V HB . 17075 1 763 . 1 1 63 63 VAL HG11 H 1 0.883 0.03 . 2 . . . . 63 V HG11 . 17075 1 764 . 1 1 63 63 VAL HG12 H 1 0.883 0.03 . 2 . . . . 63 V HG11 . 17075 1 765 . 1 1 63 63 VAL HG13 H 1 0.883 0.03 . 2 . . . . 63 V HG11 . 17075 1 766 . 1 1 63 63 VAL HG21 H 1 0.883 0.03 . 2 . . . . 63 V HG21 . 17075 1 767 . 1 1 63 63 VAL HG22 H 1 0.883 0.03 . 2 . . . . 63 V HG21 . 17075 1 768 . 1 1 63 63 VAL HG23 H 1 0.883 0.03 . 2 . . . . 63 V HG21 . 17075 1 769 . 1 1 63 63 VAL C C 13 176.300 0.3 . 1 . . . . 63 V C . 17075 1 770 . 1 1 63 63 VAL CA C 13 62.324 0.3 . 1 . . . . 63 V CA . 17075 1 771 . 1 1 63 63 VAL CB C 13 32.814 0.3 . 1 . . . . 63 V CB . 17075 1 772 . 1 1 63 63 VAL CG1 C 13 20.714 0.3 . 1 . . . . 63 V CG1 . 17075 1 773 . 1 1 63 63 VAL CG2 C 13 20.714 0.3 . 1 . . . . 63 V CG2 . 17075 1 774 . 1 1 63 63 VAL N N 15 120.145 0.3 . 1 . . . . 63 V N . 17075 1 775 . 1 1 64 64 LYS H H 1 8.320 0.03 . 1 . . . . 64 K HN . 17075 1 776 . 1 1 64 64 LYS HA H 1 4.248 0.03 . 1 . . . . 64 K HA . 17075 1 777 . 1 1 64 64 LYS HB2 H 1 1.718 0.03 . 2 . . . . 64 K HB1 . 17075 1 778 . 1 1 64 64 LYS HB3 H 1 1.753 0.03 . 2 . . . . 64 K HB2 . 17075 1 779 . 1 1 64 64 LYS HD2 H 1 1.620 0.03 . 2 . . . . 64 K HD2 . 17075 1 780 . 1 1 64 64 LYS HE2 H 1 2.935 0.03 . 2 . . . . 64 K HE2 . 17075 1 781 . 1 1 64 64 LYS HG2 H 1 1.404 0.03 . 2 . . . . 64 K HG2 . 17075 1 782 . 1 1 64 64 LYS C C 13 176.580 0.3 . 1 . . . . 64 K C . 17075 1 783 . 1 1 64 64 LYS CA C 13 56.195 0.3 . 1 . . . . 64 K CA . 17075 1 784 . 1 1 64 64 LYS CB C 13 32.748 0.3 . 1 . . . . 64 K CB . 17075 1 785 . 1 1 64 64 LYS CD C 13 29.376 0.3 . 1 . . . . 64 K CD . 17075 1 786 . 1 1 64 64 LYS CE C 13 42.299 0.3 . 1 . . . . 64 K CE . 17075 1 787 . 1 1 64 64 LYS CG C 13 24.665 0.3 . 1 . . . . 64 K CG . 17075 1 788 . 1 1 64 64 LYS N N 15 126.045 0.3 . 1 . . . . 64 K N . 17075 1 789 . 1 1 65 65 GLN H H 1 8.421 0.03 . 1 . . . . 65 Q HN . 17075 1 790 . 1 1 65 65 GLN HA H 1 4.239 0.03 . 1 . . . . 65 Q HA . 17075 1 791 . 1 1 65 65 GLN HB2 H 1 1.906 0.03 . 2 . . . . 65 Q HB1 . 17075 1 792 . 1 1 65 65 GLN HB3 H 1 2.022 0.03 . 2 . . . . 65 Q HB2 . 17075 1 793 . 1 1 65 65 GLN HE21 H 1 7.502 0.03 . 2 . . . . 65 Q HE21 . 17075 1 794 . 1 1 65 65 GLN HE22 H 1 6.850 0.03 . 2 . . . . 65 Q HE22 . 17075 1 795 . 1 1 65 65 GLN HG2 H 1 2.288 0.03 . 2 . . . . 65 Q HG2 . 17075 1 796 . 1 1 65 65 GLN C C 13 175.600 0.3 . 1 . . . . 65 Q C . 17075 1 797 . 1 1 65 65 GLN CA C 13 55.749 0.3 . 1 . . . . 65 Q CA . 17075 1 798 . 1 1 65 65 GLN CB C 13 29.688 0.3 . 1 . . . . 65 Q CB . 17075 1 799 . 1 1 65 65 GLN CG C 13 33.743 0.3 . 1 . . . . 65 Q CG . 17075 1 800 . 1 1 65 65 GLN N N 15 122.717 0.3 . 1 . . . . 65 Q N . 17075 1 801 . 1 1 65 65 GLN NE2 N 15 113.052 0.3 . 1 . . . . 65 Q NE2 . 17075 1 802 . 1 1 66 66 ASP H H 1 8.399 0.03 . 1 . . . . 66 D HN . 17075 1 803 . 1 1 66 66 ASP HA H 1 4.550 0.03 . 1 . . . . 66 D HA . 17075 1 804 . 1 1 66 66 ASP HB2 H 1 2.574 0.03 . 2 . . . . 66 D HB1 . 17075 1 805 . 1 1 66 66 ASP HB3 H 1 2.636 0.03 . 2 . . . . 66 D HB2 . 17075 1 806 . 1 1 66 66 ASP C C 13 176.608 0.3 . 1 . . . . 66 D C . 17075 1 807 . 1 1 66 66 ASP CA C 13 54.126 0.3 . 1 . . . . 66 D CA . 17075 1 808 . 1 1 66 66 ASP CB C 13 41.253 0.3 . 1 . . . . 66 D CB . 17075 1 809 . 1 1 66 66 ASP N N 15 122.938 0.3 . 1 . . . . 66 D N . 17075 1 810 . 1 1 67 67 LYS H H 1 8.396 0.03 . 1 . . . . 67 K HN . 17075 1 811 . 1 1 67 67 LYS HA H 1 4.189 0.03 . 1 . . . . 67 K HA . 17075 1 812 . 1 1 67 67 LYS HB2 H 1 1.756 0.03 . 2 . . . . 67 K HB2 . 17075 1 813 . 1 1 67 67 LYS HD2 H 1 1.624 0.03 . 2 . . . . 67 K HD2 . 17075 1 814 . 1 1 67 67 LYS HE2 H 1 2.932 0.03 . 2 . . . . 67 K HE2 . 17075 1 815 . 1 1 67 67 LYS HG2 H 1 1.361 0.03 . 2 . . . . 67 K HG2 . 17075 1 816 . 1 1 67 67 LYS C C 13 176.700 0.3 . 1 . . . . 67 K C . 17075 1 817 . 1 1 67 67 LYS CA C 13 56.893 0.3 . 1 . . . . 67 K CA . 17075 1 818 . 1 1 67 67 LYS CB C 13 32.519 0.3 . 1 . . . . 67 K CB . 17075 1 819 . 1 1 67 67 LYS CD C 13 28.611 0.3 . 1 . . . . 67 K CD . 17075 1 820 . 1 1 67 67 LYS CE C 13 42.116 0.3 . 1 . . . . 67 K CE . 17075 1 821 . 1 1 67 67 LYS CG C 13 24.473 0.3 . 1 . . . . 67 K CG . 17075 1 822 . 1 1 67 67 LYS N N 15 123.040 0.3 . 1 . . . . 67 K N . 17075 1 823 . 1 1 68 68 ASN H H 1 8.465 0.03 . 1 . . . . 68 N HN . 17075 1 824 . 1 1 68 68 ASN HA H 1 4.632 0.03 . 1 . . . . 68 N HA . 17075 1 825 . 1 1 68 68 ASN HB2 H 1 2.697 0.03 . 2 . . . . 68 N HB1 . 17075 1 826 . 1 1 68 68 ASN HB3 H 1 2.785 0.03 . 2 . . . . 68 N HB2 . 17075 1 827 . 1 1 68 68 ASN HD21 H 1 7.668 0.03 . 2 . . . . 68 N HD21 . 17075 1 828 . 1 1 68 68 ASN HD22 H 1 6.907 0.03 . 2 . . . . 68 N HD22 . 17075 1 829 . 1 1 68 68 ASN C C 13 175.200 0.3 . 1 . . . . 68 N C . 17075 1 830 . 1 1 68 68 ASN CA C 13 53.283 0.3 . 1 . . . . 68 N CA . 17075 1 831 . 1 1 68 68 ASN CB C 13 38.802 0.3 . 1 . . . . 68 N CB . 17075 1 832 . 1 1 68 68 ASN N N 15 119.500 0.3 . 1 . . . . 68 N N . 17075 1 833 . 1 1 68 68 ASN ND2 N 15 114.019 0.3 . 1 . . . . 68 N ND2 . 17075 1 834 . 1 1 69 69 ALA H H 1 8.077 0.03 . 1 . . . . 69 A HN . 17075 1 835 . 1 1 69 69 ALA HA H 1 4.237 0.03 . 1 . . . . 69 A HA . 17075 1 836 . 1 1 69 69 ALA HB1 H 1 1.347 0.03 . 1 . . . . 69 A HB1 . 17075 1 837 . 1 1 69 69 ALA HB2 H 1 1.347 0.03 . 1 . . . . 69 A HB1 . 17075 1 838 . 1 1 69 69 ALA HB3 H 1 1.347 0.03 . 1 . . . . 69 A HB1 . 17075 1 839 . 1 1 69 69 ALA C C 13 178.200 0.3 . 1 . . . . 69 A C . 17075 1 840 . 1 1 69 69 ALA CA C 13 53.053 0.3 . 1 . . . . 69 A CA . 17075 1 841 . 1 1 69 69 ALA CB C 13 19.033 0.3 . 1 . . . . 69 A CB . 17075 1 842 . 1 1 69 69 ALA N N 15 124.780 0.3 . 1 . . . . 69 A N . 17075 1 843 . 1 1 70 70 GLY H H 1 8.391 0.03 . 1 . . . . 70 G HN . 17075 1 844 . 1 1 70 70 GLY HA2 H 1 3.893 0.03 . 2 . . . . 70 G HA2 . 17075 1 845 . 1 1 70 70 GLY C C 13 174.254 0.3 . 1 . . . . 70 G C . 17075 1 846 . 1 1 70 70 GLY CA C 13 45.391 0.3 . 1 . . . . 70 G CA . 17075 1 847 . 1 1 70 70 GLY N N 15 108.457 0.3 . 1 . . . . 70 G N . 17075 1 848 . 1 1 71 71 LEU H H 1 7.959 0.03 . 1 . . . . 71 L HN . 17075 1 849 . 1 1 71 71 LEU HA H 1 4.251 0.03 . 1 . . . . 71 L HA . 17075 1 850 . 1 1 71 71 LEU HB2 H 1 1.479 0.03 . 2 . . . . 71 L HB2 . 17075 1 851 . 1 1 71 71 LEU HD11 H 1 0.840 0.03 . 2 . . . . 71 L HD11 . 17075 1 852 . 1 1 71 71 LEU HD12 H 1 0.840 0.03 . 2 . . . . 71 L HD11 . 17075 1 853 . 1 1 71 71 LEU HD13 H 1 0.840 0.03 . 2 . . . . 71 L HD11 . 17075 1 854 . 1 1 71 71 LEU HD21 H 1 0.782 0.03 . 2 . . . . 71 L HD21 . 17075 1 855 . 1 1 71 71 LEU HD22 H 1 0.782 0.03 . 2 . . . . 71 L HD21 . 17075 1 856 . 1 1 71 71 LEU HD23 H 1 0.782 0.03 . 2 . . . . 71 L HD21 . 17075 1 857 . 1 1 71 71 LEU HG H 1 1.509 0.03 . 1 . . . . 71 L HG . 17075 1 858 . 1 1 71 71 LEU C C 13 177.550 0.3 . 1 . . . . 71 L C . 17075 1 859 . 1 1 71 71 LEU CA C 13 55.122 0.3 . 1 . . . . 71 L CA . 17075 1 860 . 1 1 71 71 LEU CB C 13 42.326 0.3 . 1 . . . . 71 L CB . 17075 1 861 . 1 1 71 71 LEU CD1 C 13 24.844 0.3 . 1 . . . . 71 L CD1 . 17075 1 862 . 1 1 71 71 LEU CD2 C 13 23.237 0.3 . 1 . . . . 71 L CD2 . 17075 1 863 . 1 1 71 71 LEU CG C 13 26.678 0.3 . 1 . . . . 71 L CG . 17075 1 864 . 1 1 71 71 LEU N N 15 121.748 0.3 . 1 . . . . 71 L N . 17075 1 865 . 1 1 72 72 GLU H H 1 8.448 0.03 . 1 . . . . 72 E HN . 17075 1 866 . 1 1 72 72 GLU HA H 1 4.120 0.03 . 1 . . . . 72 E HA . 17075 1 867 . 1 1 72 72 GLU HB2 H 1 1.834 0.03 . 2 . . . . 72 E HB2 . 17075 1 868 . 1 1 72 72 GLU HG2 H 1 2.071 0.03 . 2 . . . . 72 E HG1 . 17075 1 869 . 1 1 72 72 GLU HG3 H 1 2.127 0.03 . 2 . . . . 72 E HG2 . 17075 1 870 . 1 1 72 72 GLU C C 13 176.250 0.3 . 1 . . . . 72 E C . 17075 1 871 . 1 1 72 72 GLU CA C 13 56.737 0.3 . 1 . . . . 72 E CA . 17075 1 872 . 1 1 72 72 GLU CB C 13 29.990 0.3 . 1 . . . . 72 E CB . 17075 1 873 . 1 1 72 72 GLU CG C 13 35.967 0.3 . 1 . . . . 72 E CG . 17075 1 874 . 1 1 72 72 GLU N N 15 121.636 0.3 . 1 . . . . 72 E N . 17075 1 875 . 1 1 73 73 HIS H H 1 8.185 0.03 . 1 . . . . 73 H HN . 17075 1 876 . 1 1 73 73 HIS HA H 1 4.481 0.03 . 1 . . . . 73 H HA . 17075 1 877 . 1 1 73 73 HIS HB2 H 1 2.956 0.03 . 2 . . . . 73 H HB1 . 17075 1 878 . 1 1 73 73 HIS HB3 H 1 2.918 0.03 . 2 . . . . 73 H HB2 . 17075 1 879 . 1 1 73 73 HIS C C 13 175.110 0.3 . 1 . . . . 73 H C . 17075 1 880 . 1 1 73 73 HIS CA C 13 56.202 0.3 . 1 . . . . 73 H CA . 17075 1 881 . 1 1 73 73 HIS CB C 13 30.700 0.3 . 1 . . . . 73 H CB . 17075 1 882 . 1 1 73 73 HIS N N 15 120.467 0.3 . 1 . . . . 73 H N . 17075 1 883 . 1 1 74 74 HIS H H 1 8.220 0.03 . 1 . . . . 74 H HN . 17075 1 884 . 1 1 74 74 HIS N N 15 121.200 0.3 . 1 . . . . 74 H N . 17075 1 885 . 1 1 77 77 HIS C C 13 174.200 0.3 . 1 . . . . 77 H C . 17075 1 886 . 1 1 78 78 HIS H H 1 7.950 0.03 . 1 . . . . 78 H HN . 17075 1 887 . 1 1 78 78 HIS HA H 1 4.360 0.03 . 1 . . . . 78 H HA . 17075 1 888 . 1 1 78 78 HIS HB2 H 1 2.980 0.03 . 2 . . . . 78 H HB1 . 17075 1 889 . 1 1 78 78 HIS HB3 H 1 3.089 0.03 . 2 . . . . 78 H HB2 . 17075 1 890 . 1 1 78 78 HIS CA C 13 57.500 0.3 . 1 . . . . 78 H CA . 17075 1 891 . 1 1 78 78 HIS CB C 13 30.600 0.3 . 1 . . . . 78 H CB . 17075 1 892 . 1 1 78 78 HIS N N 15 126.300 0.3 . 1 . . . . 78 H N . 17075 1 stop_ save_