data_17234 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17234 _Entry.Title ; NMR structure of the DNA-binding domain of E.coli Lrp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-01 _Entry.Accession_date 2010-10-01 _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 '25 calculated results and the averaged/minimized structure' _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 Tetsuya Kawamura . . . 17234 2 Hongjun Zhou . . . 17234 3 Frederick Dahlquist . W. . 17234 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17234 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 17234 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17234 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 275 17234 '15N chemical shifts' 62 17234 '1H chemical shifts' 451 17234 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 . . 2011-05-23 2010-10-01 update BMRB 'update entry citation' 17234 1 . . 2011-02-24 2010-10-01 original author 'original release' 17234 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L4A 'BMRB Entry Tracking System' 17234 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17234 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21338611 _Citation.Full_citation . _Citation.Title 'The Design Involved in PapI and Lrp Regulation of the pap Operon.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 409 _Citation.Journal_issue 3 _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 311 _Citation.Page_last 332 _Citation.Year 2011 _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 Tetsuya Kawamura . . . 17234 1 2 Armand Vartanian . S. . 17234 1 3 Hongjun Zhou . . . 17234 1 4 Frederick Dahlquist . W. . 17234 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17234 _Assembly.ID 1 _Assembly.Name Lrp_DNA-binding_domain _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Lrp_DNA-binding_domain 1 $Lrp_DNA-binding_domain A . yes native no no . . . 17234 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lrp_DNA-binding_domain _Entity.Sf_category entity _Entity.Sf_framecode Lrp_DNA-binding_domain _Entity.Entry_ID 17234 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lrp_DNA-binding_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVDSKKRPGKDLDRIDRNIL NELQKDGRISNVELSKRVGL SPTPCLERVRRLERQGFIQG YTALLN ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7621.872 _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 2GQQ . "Crystal Structure Of E. Coli Leucine-Responsive Regulatory Protein (Lrp)" . . . . . 98.48 163 100.00 100.00 1.18e-36 . . . . 17234 1 2 no PDB 2L4A . "Nmr Structure Of The Dna-Binding Domain Of E.Coli Lrp" . . . . . 100.00 66 100.00 100.00 5.04e-38 . . . . 17234 1 3 no DBJ BAA01880 . "leucine responsive regulatory protein [Escherichia coli K-12]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 4 no DBJ BAA35614 . "DNA-binding transcriptional dual regulator, leucine-binding [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 5 no DBJ BAB34397 . "regulator for leucine (or lrp) regulon and high-affinity branched-chain amino acid transport system [Escherichia coli O157:H7 s" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 6 no DBJ BAE74382 . "leucine-responsive regulatory protein [Sodalis glossinidius str. 'morsitans']" . . . . . 100.00 164 98.48 100.00 3.65e-37 . . . . 17234 1 7 no DBJ BAG76471 . "leucine-responsive regulator [Escherichia coli SE11]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 8 no EMBL CAA76565 . "leucine responsive element [Klebsiella oxytoca]" . . . . . 77.27 51 98.04 98.04 4.27e-25 . . . . 17234 1 9 no EMBL CAD05359 . "leucine-responsive regulatory protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 164 100.00 100.00 1.35e-37 . . . . 17234 1 10 no EMBL CAG75548 . "leucine-responsive regulatory protein [Pectobacterium atrosepticum SCRI1043]" . . . . . 100.00 164 96.97 98.48 2.44e-36 . . . . 17234 1 11 no EMBL CAP75362 . "Leucine-responsive regulatory protein [Escherichia coli LF82]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 12 no EMBL CAQ31417 . "Lrp transcriptional dual regulator [Escherichia coli BL21(DE3)]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 13 no GB AAA24089 . "leucine-responsive-regulatory protein (Lrp) [Escherichia coli]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 14 no GB AAA75439 . "Lrp [Enterobacter aerogenes]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 15 no GB AAA75465 . "Lrp [Klebsiella pneumoniae]" . . . . . 100.00 164 100.00 100.00 1.44e-37 . . . . 17234 1 16 no GB AAA75466 . "Lrp [Serratia marcescens]" . . . . . 100.00 164 98.48 98.48 9.24e-37 . . . . 17234 1 17 no GB AAA75467 . "Lrp [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 164 100.00 100.00 1.95e-37 . . . . 17234 1 18 no PIR AE0611 . "leucine-responsive regulatory protein STY0957 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 164 100.00 100.00 1.35e-37 . . . . 17234 1 19 no REF NP_309001 . "leucine-responsive transcriptional regulator [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 20 no REF NP_415409 . "leucine-responsive global transcriptional regulator [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 21 no REF NP_455447 . "leucine-responsive regulatory protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 164 100.00 100.00 1.35e-37 . . . . 17234 1 22 no REF NP_459935 . "leucine-responsive transcriptional regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 164 100.00 100.00 1.29e-37 . . . . 17234 1 23 no REF NP_706774 . "leucine-responsive transcriptional regulator [Shigella flexneri 2a str. 301]" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 24 no SP P0A2S0 . "RecName: Full=Leucine-responsive regulatory protein" . . . . . 100.00 164 100.00 100.00 1.29e-37 . . . . 17234 1 25 no SP P0ACJ0 . "RecName: Full=Leucine-responsive regulatory protein" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 26 no SP P0ACJ1 . "RecName: Full=Leucine-responsive regulatory protein" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 27 no SP P0ACJ2 . "RecName: Full=Leucine-responsive regulatory protein" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 1 28 no SP P0ACJ3 . "RecName: Full=Leucine-responsive regulatory protein" . . . . . 100.00 164 100.00 100.00 1.27e-37 . . . . 17234 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 . 17234 1 2 . VAL . 17234 1 3 . ASP . 17234 1 4 . SER . 17234 1 5 . LYS . 17234 1 6 . LYS . 17234 1 7 . ARG . 17234 1 8 . PRO . 17234 1 9 . GLY . 17234 1 10 . LYS . 17234 1 11 . ASP . 17234 1 12 . LEU . 17234 1 13 . ASP . 17234 1 14 . ARG . 17234 1 15 . ILE . 17234 1 16 . ASP . 17234 1 17 . ARG . 17234 1 18 . ASN . 17234 1 19 . ILE . 17234 1 20 . LEU . 17234 1 21 . ASN . 17234 1 22 . GLU . 17234 1 23 . LEU . 17234 1 24 . GLN . 17234 1 25 . LYS . 17234 1 26 . ASP . 17234 1 27 . GLY . 17234 1 28 . ARG . 17234 1 29 . ILE . 17234 1 30 . SER . 17234 1 31 . ASN . 17234 1 32 . VAL . 17234 1 33 . GLU . 17234 1 34 . LEU . 17234 1 35 . SER . 17234 1 36 . LYS . 17234 1 37 . ARG . 17234 1 38 . VAL . 17234 1 39 . GLY . 17234 1 40 . LEU . 17234 1 41 . SER . 17234 1 42 . PRO . 17234 1 43 . THR . 17234 1 44 . PRO . 17234 1 45 . CYS . 17234 1 46 . LEU . 17234 1 47 . GLU . 17234 1 48 . ARG . 17234 1 49 . VAL . 17234 1 50 . ARG . 17234 1 51 . ARG . 17234 1 52 . LEU . 17234 1 53 . GLU . 17234 1 54 . ARG . 17234 1 55 . GLN . 17234 1 56 . GLY . 17234 1 57 . PHE . 17234 1 58 . ILE . 17234 1 59 . GLN . 17234 1 60 . GLY . 17234 1 61 . TYR . 17234 1 62 . THR . 17234 1 63 . ALA . 17234 1 64 . LEU . 17234 1 65 . LEU . 17234 1 66 . ASN . 17234 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 17234 1 . VAL 2 2 17234 1 . ASP 3 3 17234 1 . SER 4 4 17234 1 . LYS 5 5 17234 1 . LYS 6 6 17234 1 . ARG 7 7 17234 1 . PRO 8 8 17234 1 . GLY 9 9 17234 1 . LYS 10 10 17234 1 . ASP 11 11 17234 1 . LEU 12 12 17234 1 . ASP 13 13 17234 1 . ARG 14 14 17234 1 . ILE 15 15 17234 1 . ASP 16 16 17234 1 . ARG 17 17 17234 1 . ASN 18 18 17234 1 . ILE 19 19 17234 1 . LEU 20 20 17234 1 . ASN 21 21 17234 1 . GLU 22 22 17234 1 . LEU 23 23 17234 1 . GLN 24 24 17234 1 . LYS 25 25 17234 1 . ASP 26 26 17234 1 . GLY 27 27 17234 1 . ARG 28 28 17234 1 . ILE 29 29 17234 1 . SER 30 30 17234 1 . ASN 31 31 17234 1 . VAL 32 32 17234 1 . GLU 33 33 17234 1 . LEU 34 34 17234 1 . SER 35 35 17234 1 . LYS 36 36 17234 1 . ARG 37 37 17234 1 . VAL 38 38 17234 1 . GLY 39 39 17234 1 . LEU 40 40 17234 1 . SER 41 41 17234 1 . PRO 42 42 17234 1 . THR 43 43 17234 1 . PRO 44 44 17234 1 . CYS 45 45 17234 1 . LEU 46 46 17234 1 . GLU 47 47 17234 1 . ARG 48 48 17234 1 . VAL 49 49 17234 1 . ARG 50 50 17234 1 . ARG 51 51 17234 1 . LEU 52 52 17234 1 . GLU 53 53 17234 1 . ARG 54 54 17234 1 . GLN 55 55 17234 1 . GLY 56 56 17234 1 . PHE 57 57 17234 1 . ILE 58 58 17234 1 . GLN 59 59 17234 1 . GLY 60 60 17234 1 . TYR 61 61 17234 1 . THR 62 62 17234 1 . ALA 63 63 17234 1 . LEU 64 64 17234 1 . LEU 65 65 17234 1 . ASN 66 66 17234 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 17234 _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 $Lrp_DNA-binding_domain . 562 organism . 'Escherichia coli' 'E. coli' . . bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17234 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 17234 _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 $Lrp_DNA-binding_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b(+) . . . . . . 17234 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17234 _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 'Lrp DNA-binding domain' '[U-99% 13C; U-99% 15N]' . . 1 $Lrp_DNA-binding_domain . . 2 . . mM . . . . 17234 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17234 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 17234 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17234 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17234 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17234 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Lrp DNA-binding domian' '[U-99% 13C; U-99% 15N]' . . 1 $Lrp_DNA-binding_domain . . 2 . . mM . . . . 17234 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17234 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17234 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17234 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17234 _Sample.ID 3 _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 'Lrp DNA-biinding domain' '[U-99% 13C; U-99% 15N]' . . 1 $Lrp_DNA-binding_domain . . . 80 150 uM . . . . 17234 3 2 'potassium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 17234 3 3 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 17234 3 4 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 17234 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17234 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17234 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17234 _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' 0.05 . M 17234 1 pH 6.5 . pH 17234 1 pressure 1 . atm 17234 1 temperature 273 . K 17234 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 17234 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 17234 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17234 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17234 _Software.ID 2 _Software.Name NMRDraw _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' . . 17234 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17234 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17234 _Software.ID 3 _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' . . 17234 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17234 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 17234 _Software.ID 4 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 17234 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17234 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17234 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17234 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17234 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 17234 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 1 7 '4D 15N-13C edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 1 8 '4D 13C-131C edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17234 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 17234 _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 . . . . . . . . . 17234 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17234 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17234 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 17234 _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 1 '2D 1H-15N HSQC' . . . 17234 1 2 '2D 1H-13C HSQC' . . . 17234 1 3 '3D CBCA(CO)NH' . . . 17234 1 4 '3D C(CO)NH' . . . 17234 1 5 '3D HCCH-TOCSY' . . . 17234 1 6 '3D HNCACB' . . . 17234 1 7 '4D 15N-13C edited NOESY' . . . 17234 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 3 3 ASP HA H 1 4.715 0.02 . 1 . . . . 3 ASP HA . 17234 1 2 . 1 1 3 3 ASP HB2 H 1 2.631 0.02 . 2 . . . . 3 ASP HB2 . 17234 1 3 . 1 1 3 3 ASP HB3 H 1 2.748 0.02 . 2 . . . . 3 ASP HB3 . 17234 1 4 . 1 1 3 3 ASP C C 13 176.15 0.1 . 1 . . . . 3 ASP C . 17234 1 5 . 1 1 3 3 ASP CA C 13 54.31 0.1 . 1 . . . . 3 ASP CA . 17234 1 6 . 1 1 3 3 ASP CB C 13 41.52 0.1 . 1 . . . . 3 ASP CB . 17234 1 7 . 1 1 4 4 SER H H 1 8.508 0.02 . 1 . . . . 4 SER H . 17234 1 8 . 1 1 4 4 SER HA H 1 4.399 0.02 . 1 . . . . 4 SER HA . 17234 1 9 . 1 1 4 4 SER HB2 H 1 3.841 0.02 . 2 . . . . 4 SER HB2 . 17234 1 10 . 1 1 4 4 SER HB3 H 1 3.909 0.02 . 2 . . . . 4 SER HB3 . 17234 1 11 . 1 1 4 4 SER C C 13 174.72 0.1 . 1 . . . . 4 SER C . 17234 1 12 . 1 1 4 4 SER CA C 13 58.58 0.1 . 1 . . . . 4 SER CA . 17234 1 13 . 1 1 4 4 SER CB C 13 63.75 0.100 . 1 . . . . 4 SER CB . 17234 1 14 . 1 1 4 4 SER N N 15 117.72 0.1 . 1 . . . . 4 SER N . 17234 1 15 . 1 1 5 5 LYS H H 1 8.371 0.02 . 1 . . . . 5 LYS H . 17234 1 16 . 1 1 5 5 LYS HA H 1 4.293 0.02 . 1 . . . . 5 LYS HA . 17234 1 17 . 1 1 5 5 LYS HB2 H 1 1.781 0.02 . 2 . . . . 5 LYS HB2 . 17234 1 18 . 1 1 5 5 LYS HB3 H 1 1.842 0.02 . 2 . . . . 5 LYS HB3 . 17234 1 19 . 1 1 5 5 LYS HD2 H 1 1.677 0.02 . 2 . . . . 5 LYS HD2 . 17234 1 20 . 1 1 5 5 LYS HD3 H 1 1.677 0.02 . 2 . . . . 5 LYS HD3 . 17234 1 21 . 1 1 5 5 LYS HE2 H 1 2.995 0.02 . 2 . . . . 5 LYS HE2 . 17234 1 22 . 1 1 5 5 LYS HE3 H 1 2.995 0.02 . 2 . . . . 5 LYS HE3 . 17234 1 23 . 1 1 5 5 LYS HG2 H 1 1.405 0.02 . 2 . . . . 5 LYS HG2 . 17234 1 24 . 1 1 5 5 LYS HG3 H 1 1.445 0.02 . 2 . . . . 5 LYS HG3 . 17234 1 25 . 1 1 5 5 LYS C C 13 176.56 0.1 . 1 . . . . 5 LYS C . 17234 1 26 . 1 1 5 5 LYS CA C 13 56.55 0.1 . 1 . . . . 5 LYS CA . 17234 1 27 . 1 1 5 5 LYS CB C 13 32.77 0.1 . 1 . . . . 5 LYS CB . 17234 1 28 . 1 1 5 5 LYS CD C 13 28.99 0.1 . 1 . . . . 5 LYS CD . 17234 1 29 . 1 1 5 5 LYS CE C 13 42.13 0.1 . 1 . . . . 5 LYS CE . 17234 1 30 . 1 1 5 5 LYS CG C 13 24.91 0.1 . 1 . . . . 5 LYS CG . 17234 1 31 . 1 1 5 5 LYS N N 15 122.78 0.1 . 1 . . . . 5 LYS N . 17234 1 32 . 1 1 6 6 LYS H H 1 8.165 0.02 . 1 . . . . 6 LYS H . 17234 1 33 . 1 1 6 6 LYS HA H 1 4.288 0.02 . 1 . . . . 6 LYS HA . 17234 1 34 . 1 1 6 6 LYS HB2 H 1 1.724 0.02 . 2 . . . . 6 LYS HB2 . 17234 1 35 . 1 1 6 6 LYS HB3 H 1 1.786 0.02 . 2 . . . . 6 LYS HB3 . 17234 1 36 . 1 1 6 6 LYS HD2 H 1 1.636 0.02 . 2 . . . . 6 LYS HD2 . 17234 1 37 . 1 1 6 6 LYS HD3 H 1 1.636 0.02 . 2 . . . . 6 LYS HD3 . 17234 1 38 . 1 1 6 6 LYS HE2 H 1 2.966 0.02 . 2 . . . . 6 LYS HE2 . 17234 1 39 . 1 1 6 6 LYS HE3 H 1 2.966 0.02 . 2 . . . . 6 LYS HE3 . 17234 1 40 . 1 1 6 6 LYS HG2 H 1 1.368 0.02 . 2 . . . . 6 LYS HG2 . 17234 1 41 . 1 1 6 6 LYS HG3 H 1 1.425 0.02 . 2 . . . . 6 LYS HG3 . 17234 1 42 . 1 1 6 6 LYS C C 13 176.23 0.1 . 1 . . . . 6 LYS C . 17234 1 43 . 1 1 6 6 LYS CA C 13 56.21 0.1 . 1 . . . . 6 LYS CA . 17234 1 44 . 1 1 6 6 LYS CB C 13 33.05 0.1 . 1 . . . . 6 LYS CB . 17234 1 45 . 1 1 6 6 LYS CD C 13 29.15 0.1 . 1 . . . . 6 LYS CD . 17234 1 46 . 1 1 6 6 LYS CE C 13 42.18 0.1 . 1 . . . . 6 LYS CE . 17234 1 47 . 1 1 6 6 LYS CG C 13 24.88 0.1 . 1 . . . . 6 LYS CG . 17234 1 48 . 1 1 6 6 LYS N N 15 122.02 0.1 . 1 . . . . 6 LYS N . 17234 1 49 . 1 1 7 7 ARG H H 1 8.389 0.02 . 1 . . . . 7 ARG H . 17234 1 50 . 1 1 7 7 ARG HA H 1 4.631 0.02 . 1 . . . . 7 ARG HA . 17234 1 51 . 1 1 7 7 ARG HB2 H 1 1.716 0.02 . 2 . . . . 7 ARG HB2 . 17234 1 52 . 1 1 7 7 ARG HB3 H 1 1.716 0.02 . 2 . . . . 7 ARG HB3 . 17234 1 53 . 1 1 7 7 ARG HG2 H 1 1.663 0.02 . 2 . . . . 7 ARG HG2 . 17234 1 54 . 1 1 7 7 ARG HG3 H 1 1.663 0.02 . 2 . . . . 7 ARG HG3 . 17234 1 55 . 1 1 7 7 ARG CA C 13 53.84 0.122 . 1 . . . . 7 ARG CA . 17234 1 56 . 1 1 7 7 ARG CB C 13 30.39 0.1 . 1 . . . . 7 ARG CB . 17234 1 57 . 1 1 7 7 ARG CG C 13 27.02 0.1 . 1 . . . . 7 ARG CG . 17234 1 58 . 1 1 7 7 ARG N N 15 123.70 0.1 . 1 . . . . 7 ARG N . 17234 1 59 . 1 1 8 8 PRO HA H 1 4.403 0.02 . 1 . . . . 8 PRO HA . 17234 1 60 . 1 1 8 8 PRO HB2 H 1 2.237 0.02 . 2 . . . . 8 PRO HB2 . 17234 1 61 . 1 1 8 8 PRO HB3 H 1 2.286 0.02 . 2 . . . . 8 PRO HB3 . 17234 1 62 . 1 1 8 8 PRO HD2 H 1 3.652 0.02 . 2 . . . . 8 PRO HD2 . 17234 1 63 . 1 1 8 8 PRO HD3 H 1 3.801 0.02 . 2 . . . . 8 PRO HD3 . 17234 1 64 . 1 1 8 8 PRO HG2 H 1 1.947 0.02 . 2 . . . . 8 PRO HG2 . 17234 1 65 . 1 1 8 8 PRO HG3 H 1 2.030 0.02 . 2 . . . . 8 PRO HG3 . 17234 1 66 . 1 1 8 8 PRO C C 13 177.44 0.1 . 1 . . . . 8 PRO C . 17234 1 67 . 1 1 8 8 PRO CA C 13 63.43 0.1 . 1 . . . . 8 PRO CA . 17234 1 68 . 1 1 8 8 PRO CB C 13 32.26 0.1 . 1 . . . . 8 PRO CB . 17234 1 69 . 1 1 8 8 PRO CD C 13 50.68 0.1 . 1 . . . . 8 PRO CD . 17234 1 70 . 1 1 8 8 PRO CG C 13 27.53 0.153 . 1 . . . . 8 PRO CG . 17234 1 71 . 1 1 9 9 GLY H H 1 8.460 0.02 . 1 . . . . 9 GLY H . 17234 1 72 . 1 1 9 9 GLY HA2 H 1 3.916 0.02 . 2 . . . . 9 GLY HA2 . 17234 1 73 . 1 1 9 9 GLY HA3 H 1 4.019 0.02 . 2 . . . . 9 GLY HA3 . 17234 1 74 . 1 1 9 9 GLY C C 13 174.31 0.1 . 1 . . . . 9 GLY C . 17234 1 75 . 1 1 9 9 GLY CA C 13 45.46 0.166 . 1 . . . . 9 GLY CA . 17234 1 76 . 1 1 9 9 GLY N N 15 109.43 0.1 . 1 . . . . 9 GLY N . 17234 1 77 . 1 1 10 10 LYS H H 1 8.159 0.02 . 1 . . . . 10 LYS H . 17234 1 78 . 1 1 10 10 LYS HA H 1 4.337 0.02 . 1 . . . . 10 LYS HA . 17234 1 79 . 1 1 10 10 LYS HB2 H 1 1.796 0.02 . 2 . . . . 10 LYS HB2 . 17234 1 80 . 1 1 10 10 LYS HB3 H 1 1.888 0.02 . 2 . . . . 10 LYS HB3 . 17234 1 81 . 1 1 10 10 LYS HD2 H 1 1.679 0.02 . 2 . . . . 10 LYS HD2 . 17234 1 82 . 1 1 10 10 LYS HD3 H 1 1.679 0.02 . 2 . . . . 10 LYS HD3 . 17234 1 83 . 1 1 10 10 LYS HE2 H 1 2.992 0.02 . 2 . . . . 10 LYS HE2 . 17234 1 84 . 1 1 10 10 LYS HE3 H 1 2.992 0.02 . 2 . . . . 10 LYS HE3 . 17234 1 85 . 1 1 10 10 LYS HG2 H 1 1.437 0.02 . 2 . . . . 10 LYS HG2 . 17234 1 86 . 1 1 10 10 LYS HG3 H 1 1.437 0.02 . 2 . . . . 10 LYS HG3 . 17234 1 87 . 1 1 10 10 LYS C C 13 176.13 0.1 . 1 . . . . 10 LYS C . 17234 1 88 . 1 1 10 10 LYS CA C 13 56.43 0.1 . 1 . . . . 10 LYS CA . 17234 1 89 . 1 1 10 10 LYS CB C 13 33.11 0.1 . 1 . . . . 10 LYS CB . 17234 1 90 . 1 1 10 10 LYS CD C 13 29.23 0.1 . 1 . . . . 10 LYS CD . 17234 1 91 . 1 1 10 10 LYS CE C 13 42.21 0.1 . 1 . . . . 10 LYS CE . 17234 1 92 . 1 1 10 10 LYS CG C 13 24.77 0.1 . 1 . . . . 10 LYS CG . 17234 1 93 . 1 1 10 10 LYS N N 15 120.08 0.1 . 1 . . . . 10 LYS N . 17234 1 94 . 1 1 11 11 ASP H H 1 8.367 0.02 . 1 . . . . 11 ASP H . 17234 1 95 . 1 1 11 11 ASP HA H 1 4.601 0.02 . 1 . . . . 11 ASP HA . 17234 1 96 . 1 1 11 11 ASP HB2 H 1 2.577 0.02 . 2 . . . . 11 ASP HB2 . 17234 1 97 . 1 1 11 11 ASP HB3 H 1 2.713 0.02 . 2 . . . . 11 ASP HB3 . 17234 1 98 . 1 1 11 11 ASP C C 13 175.69 0.1 . 1 . . . . 11 ASP C . 17234 1 99 . 1 1 11 11 ASP CA C 13 54.31 0.1 . 1 . . . . 11 ASP CA . 17234 1 100 . 1 1 11 11 ASP CB C 13 41.30 0.148 . 1 . . . . 11 ASP CB . 17234 1 101 . 1 1 11 11 ASP N N 15 120.00 0.1 . 1 . . . . 11 ASP N . 17234 1 102 . 1 1 12 12 LEU H H 1 7.806 0.02 . 1 . . . . 12 LEU H . 17234 1 103 . 1 1 12 12 LEU HA H 1 4.563 0.02 . 1 . . . . 12 LEU HA . 17234 1 104 . 1 1 12 12 LEU HB2 H 1 1.349 0.02 . 2 . . . . 12 LEU HB2 . 17234 1 105 . 1 1 12 12 LEU HB3 H 1 1.571 0.02 . 2 . . . . 12 LEU HB3 . 17234 1 106 . 1 1 12 12 LEU HD11 H 1 0.344 0.02 . 2 . . . . 12 LEU HD1 . 17234 1 107 . 1 1 12 12 LEU HD12 H 1 0.344 0.02 . 2 . . . . 12 LEU HD1 . 17234 1 108 . 1 1 12 12 LEU HD13 H 1 0.344 0.02 . 2 . . . . 12 LEU HD1 . 17234 1 109 . 1 1 12 12 LEU HD21 H 1 0.363 0.02 . 2 . . . . 12 LEU HD2 . 17234 1 110 . 1 1 12 12 LEU HD22 H 1 0.363 0.02 . 2 . . . . 12 LEU HD2 . 17234 1 111 . 1 1 12 12 LEU HD23 H 1 0.363 0.02 . 2 . . . . 12 LEU HD2 . 17234 1 112 . 1 1 12 12 LEU HG H 1 1.394 0.02 . 1 . . . . 12 LEU HG . 17234 1 113 . 1 1 12 12 LEU C C 13 177.22 0.1 . 1 . . . . 12 LEU C . 17234 1 114 . 1 1 12 12 LEU CA C 13 54.30 0.1 . 1 . . . . 12 LEU CA . 17234 1 115 . 1 1 12 12 LEU CB C 13 43.83 0.106 . 1 . . . . 12 LEU CB . 17234 1 116 . 1 1 12 12 LEU CD1 C 13 25.75 0.105 . 1 . . . . 12 LEU CD1 . 17234 1 117 . 1 1 12 12 LEU CD2 C 13 23.41 0.1 . 1 . . . . 12 LEU CD2 . 17234 1 118 . 1 1 12 12 LEU CG C 13 26.94 0.1 . 1 . . . . 12 LEU CG . 17234 1 119 . 1 1 12 12 LEU N N 15 121.51 0.1 . 1 . . . . 12 LEU N . 17234 1 120 . 1 1 13 13 ASP H H 1 9.035 0.02 . 1 . . . . 13 ASP H . 17234 1 121 . 1 1 13 13 ASP HA H 1 4.641 0.02 . 1 . . . . 13 ASP HA . 17234 1 122 . 1 1 13 13 ASP HB2 H 1 2.739 0.02 . 2 . . . . 13 ASP HB2 . 17234 1 123 . 1 1 13 13 ASP HB3 H 1 3.218 0.02 . 2 . . . . 13 ASP HB3 . 17234 1 124 . 1 1 13 13 ASP C C 13 175.95 0.1 . 1 . . . . 13 ASP C . 17234 1 125 . 1 1 13 13 ASP CA C 13 52.34 0.1 . 1 . . . . 13 ASP CA . 17234 1 126 . 1 1 13 13 ASP CB C 13 41.38 0.1 . 1 . . . . 13 ASP CB . 17234 1 127 . 1 1 13 13 ASP N N 15 123.84 0.1 . 1 . . . . 13 ASP N . 17234 1 128 . 1 1 14 14 ARG H H 1 8.225 0.02 . 1 . . . . 14 ARG H . 17234 1 129 . 1 1 14 14 ARG HA H 1 3.832 0.02 . 1 . . . . 14 ARG HA . 17234 1 130 . 1 1 14 14 ARG HB2 H 1 1.809 0.02 . 2 . . . . 14 ARG HB2 . 17234 1 131 . 1 1 14 14 ARG HB3 H 1 1.916 0.02 . 2 . . . . 14 ARG HB3 . 17234 1 132 . 1 1 14 14 ARG HD2 H 1 3.221 0.02 . 2 . . . . 14 ARG HD2 . 17234 1 133 . 1 1 14 14 ARG HD3 H 1 3.221 0.02 . 2 . . . . 14 ARG HD3 . 17234 1 134 . 1 1 14 14 ARG HG2 H 1 1.647 0.02 . 2 . . . . 14 ARG HG2 . 17234 1 135 . 1 1 14 14 ARG HG3 H 1 1.647 0.02 . 2 . . . . 14 ARG HG3 . 17234 1 136 . 1 1 14 14 ARG C C 13 178.24 0.1 . 1 . . . . 14 ARG C . 17234 1 137 . 1 1 14 14 ARG CA C 13 59.44 0.1 . 1 . . . . 14 ARG CA . 17234 1 138 . 1 1 14 14 ARG CB C 13 30.43 0.1 . 1 . . . . 14 ARG CB . 17234 1 139 . 1 1 14 14 ARG CD C 13 43.27 0.1 . 1 . . . . 14 ARG CD . 17234 1 140 . 1 1 14 14 ARG CG C 13 26.80 0.1 . 1 . . . . 14 ARG CG . 17234 1 141 . 1 1 14 14 ARG N N 15 117.50 0.1 . 1 . . . . 14 ARG N . 17234 1 142 . 1 1 15 15 ILE H H 1 7.564 0.02 . 1 . . . . 15 ILE H . 17234 1 143 . 1 1 15 15 ILE HA H 1 3.738 0.02 . 1 . . . . 15 ILE HA . 17234 1 144 . 1 1 15 15 ILE HB H 1 1.825 0.02 . 1 . . . . 15 ILE HB . 17234 1 145 . 1 1 15 15 ILE HD11 H 1 0.880 0.02 . 1 . . . . 15 ILE HD1 . 17234 1 146 . 1 1 15 15 ILE HD12 H 1 0.880 0.02 . 1 . . . . 15 ILE HD1 . 17234 1 147 . 1 1 15 15 ILE HD13 H 1 0.880 0.02 . 1 . . . . 15 ILE HD1 . 17234 1 148 . 1 1 15 15 ILE HG12 H 1 1.154 0.02 . 1 . . . . 15 ILE HG11 . 17234 1 149 . 1 1 15 15 ILE HG13 H 1 1.633 0.02 . 1 . . . . 15 ILE HG12 . 17234 1 150 . 1 1 15 15 ILE HG21 H 1 0.836 0.02 . 1 . . . . 15 ILE HG2 . 17234 1 151 . 1 1 15 15 ILE HG22 H 1 0.836 0.02 . 1 . . . . 15 ILE HG2 . 17234 1 152 . 1 1 15 15 ILE HG23 H 1 0.836 0.02 . 1 . . . . 15 ILE HG2 . 17234 1 153 . 1 1 15 15 ILE C C 13 177.83 0.1 . 1 . . . . 15 ILE C . 17234 1 154 . 1 1 15 15 ILE CA C 13 64.96 0.1 . 1 . . . . 15 ILE CA . 17234 1 155 . 1 1 15 15 ILE CB C 13 37.41 0.1 . 1 . . . . 15 ILE CB . 17234 1 156 . 1 1 15 15 ILE CD1 C 13 13.36 0.1 . 1 . . . . 15 ILE CD1 . 17234 1 157 . 1 1 15 15 ILE CG1 C 13 29.36 0.114 . 1 . . . . 15 ILE CG1 . 17234 1 158 . 1 1 15 15 ILE CG2 C 13 17.95 0.111 . 1 . . . . 15 ILE CG2 . 17234 1 159 . 1 1 15 15 ILE N N 15 119.32 0.1 . 1 . . . . 15 ILE N . 17234 1 160 . 1 1 16 16 ASP H H 1 8.333 0.02 . 1 . . . . 16 ASP H . 17234 1 161 . 1 1 16 16 ASP HA H 1 4.357 0.02 . 1 . . . . 16 ASP HA . 17234 1 162 . 1 1 16 16 ASP HB2 H 1 2.347 0.02 . 2 . . . . 16 ASP HB2 . 17234 1 163 . 1 1 16 16 ASP HB3 H 1 2.814 0.02 . 2 . . . . 16 ASP HB3 . 17234 1 164 . 1 1 16 16 ASP C C 13 178.87 0.1 . 1 . . . . 16 ASP C . 17234 1 165 . 1 1 16 16 ASP CA C 13 57.93 0.1 . 1 . . . . 16 ASP CA . 17234 1 166 . 1 1 16 16 ASP CB C 13 41.69 0.118 . 1 . . . . 16 ASP CB . 17234 1 167 . 1 1 16 16 ASP N N 15 121.56 0.1 . 1 . . . . 16 ASP N . 17234 1 168 . 1 1 17 17 ARG H H 1 8.099 0.02 . 1 . . . . 17 ARG H . 17234 1 169 . 1 1 17 17 ARG HA H 1 3.789 0.02 . 1 . . . . 17 ARG HA . 17234 1 170 . 1 1 17 17 ARG HB2 H 1 1.816 0.02 . 2 . . . . 17 ARG HB2 . 17234 1 171 . 1 1 17 17 ARG HB3 H 1 1.816 0.02 . 2 . . . . 17 ARG HB3 . 17234 1 172 . 1 1 17 17 ARG HD2 H 1 3.050 0.02 . 2 . . . . 17 ARG HD2 . 17234 1 173 . 1 1 17 17 ARG HD3 H 1 3.215 0.02 . 2 . . . . 17 ARG HD3 . 17234 1 174 . 1 1 17 17 ARG HG2 H 1 1.488 0.02 . 2 . . . . 17 ARG HG2 . 17234 1 175 . 1 1 17 17 ARG HG3 H 1 1.729 0.02 . 2 . . . . 17 ARG HG3 . 17234 1 176 . 1 1 17 17 ARG C C 13 178.79 0.1 . 1 . . . . 17 ARG C . 17234 1 177 . 1 1 17 17 ARG CA C 13 59.62 0.102 . 1 . . . . 17 ARG CA . 17234 1 178 . 1 1 17 17 ARG CB C 13 29.69 0.1 . 1 . . . . 17 ARG CB . 17234 1 179 . 1 1 17 17 ARG CD C 13 43.24 0.103 . 1 . . . . 17 ARG CD . 17234 1 180 . 1 1 17 17 ARG CG C 13 28.50 0.126 . 1 . . . . 17 ARG CG . 17234 1 181 . 1 1 17 17 ARG N N 15 117.09 0.1 . 1 . . . . 17 ARG N . 17234 1 182 . 1 1 18 18 ASN H H 1 8.103 0.02 . 1 . . . . 18 ASN H . 17234 1 183 . 1 1 18 18 ASN HA H 1 4.564 0.02 . 1 . . . . 18 ASN HA . 17234 1 184 . 1 1 18 18 ASN HB2 H 1 2.956 0.02 . 2 . . . . 18 ASN HB2 . 17234 1 185 . 1 1 18 18 ASN HB3 H 1 3.113 0.02 . 2 . . . . 18 ASN HB3 . 17234 1 186 . 1 1 18 18 ASN C C 13 178.00 0.1 . 1 . . . . 18 ASN C . 17234 1 187 . 1 1 18 18 ASN CA C 13 55.84 0.1 . 1 . . . . 18 ASN CA . 17234 1 188 . 1 1 18 18 ASN CB C 13 37.44 0.189 . 1 . . . . 18 ASN CB . 17234 1 189 . 1 1 18 18 ASN N N 15 120.23 0.1 . 1 . . . . 18 ASN N . 17234 1 190 . 1 1 19 19 ILE H H 1 8.698 0.02 . 1 . . . . 19 ILE H . 17234 1 191 . 1 1 19 19 ILE HA H 1 3.421 0.02 . 1 . . . . 19 ILE HA . 17234 1 192 . 1 1 19 19 ILE HB H 1 2.127 0.02 . 1 . . . . 19 ILE HB . 17234 1 193 . 1 1 19 19 ILE HD11 H 1 0.889 0.02 . 1 . . . . 19 ILE HD1 . 17234 1 194 . 1 1 19 19 ILE HD12 H 1 0.889 0.02 . 1 . . . . 19 ILE HD1 . 17234 1 195 . 1 1 19 19 ILE HD13 H 1 0.889 0.02 . 1 . . . . 19 ILE HD1 . 17234 1 196 . 1 1 19 19 ILE HG12 H 1 0.749 0.02 . 1 . . . . 19 ILE HG11 . 17234 1 197 . 1 1 19 19 ILE HG13 H 1 2.005 0.02 . 1 . . . . 19 ILE HG12 . 17234 1 198 . 1 1 19 19 ILE HG21 H 1 0.739 0.02 . 1 . . . . 19 ILE HG2 . 17234 1 199 . 1 1 19 19 ILE HG22 H 1 0.739 0.02 . 1 . . . . 19 ILE HG2 . 17234 1 200 . 1 1 19 19 ILE HG23 H 1 0.739 0.02 . 1 . . . . 19 ILE HG2 . 17234 1 201 . 1 1 19 19 ILE C C 13 177.27 0.1 . 1 . . . . 19 ILE C . 17234 1 202 . 1 1 19 19 ILE CA C 13 66.60 0.195 . 1 . . . . 19 ILE CA . 17234 1 203 . 1 1 19 19 ILE CB C 13 38.04 0.1 . 1 . . . . 19 ILE CB . 17234 1 204 . 1 1 19 19 ILE CD1 C 13 15.34 0.107 . 1 . . . . 19 ILE CD1 . 17234 1 205 . 1 1 19 19 ILE CG1 C 13 30.96 0.1 . 1 . . . . 19 ILE CG1 . 17234 1 206 . 1 1 19 19 ILE CG2 C 13 17.84 0.1 . 1 . . . . 19 ILE CG2 . 17234 1 207 . 1 1 19 19 ILE N N 15 122.40 0.1 . 1 . . . . 19 ILE N . 17234 1 208 . 1 1 20 20 LEU H H 1 8.172 0.02 . 1 . . . . 20 LEU H . 17234 1 209 . 1 1 20 20 LEU HA H 1 3.855 0.02 . 1 . . . . 20 LEU HA . 17234 1 210 . 1 1 20 20 LEU HB2 H 1 1.461 0.02 . 2 . . . . 20 LEU HB2 . 17234 1 211 . 1 1 20 20 LEU HB3 H 1 1.807 0.02 . 2 . . . . 20 LEU HB3 . 17234 1 212 . 1 1 20 20 LEU HD11 H 1 0.680 0.02 . 2 . . . . 20 LEU HD1 . 17234 1 213 . 1 1 20 20 LEU HD12 H 1 0.680 0.02 . 2 . . . . 20 LEU HD1 . 17234 1 214 . 1 1 20 20 LEU HD13 H 1 0.680 0.02 . 2 . . . . 20 LEU HD1 . 17234 1 215 . 1 1 20 20 LEU HD21 H 1 0.784 0.02 . 2 . . . . 20 LEU HD2 . 17234 1 216 . 1 1 20 20 LEU HD22 H 1 0.784 0.02 . 2 . . . . 20 LEU HD2 . 17234 1 217 . 1 1 20 20 LEU HD23 H 1 0.784 0.02 . 2 . . . . 20 LEU HD2 . 17234 1 218 . 1 1 20 20 LEU HG H 1 1.808 0.02 . 1 . . . . 20 LEU HG . 17234 1 219 . 1 1 20 20 LEU C C 13 179.57 0.1 . 1 . . . . 20 LEU C . 17234 1 220 . 1 1 20 20 LEU CA C 13 58.10 0.1 . 1 . . . . 20 LEU CA . 17234 1 221 . 1 1 20 20 LEU CB C 13 41.04 0.1 . 1 . . . . 20 LEU CB . 17234 1 222 . 1 1 20 20 LEU CD1 C 13 26.17 0.1 . 1 . . . . 20 LEU CD1 . 17234 1 223 . 1 1 20 20 LEU CD2 C 13 24.46 0.1 . 1 . . . . 20 LEU CD2 . 17234 1 224 . 1 1 20 20 LEU CG C 13 26.59 0.1 . 1 . . . . 20 LEU CG . 17234 1 225 . 1 1 20 20 LEU N N 15 117.81 0.1 . 1 . . . . 20 LEU N . 17234 1 226 . 1 1 21 21 ASN H H 1 8.179 0.02 . 1 . . . . 21 ASN H . 17234 1 227 . 1 1 21 21 ASN HA H 1 4.404 0.02 . 1 . . . . 21 ASN HA . 17234 1 228 . 1 1 21 21 ASN HB2 H 1 2.868 0.02 . 2 . . . . 21 ASN HB2 . 17234 1 229 . 1 1 21 21 ASN HB3 H 1 2.971 0.02 . 2 . . . . 21 ASN HB3 . 17234 1 230 . 1 1 21 21 ASN C C 13 178.27 0.1 . 1 . . . . 21 ASN C . 17234 1 231 . 1 1 21 21 ASN CA C 13 56.16 0.1 . 1 . . . . 21 ASN CA . 17234 1 232 . 1 1 21 21 ASN CB C 13 38.63 0.1 . 1 . . . . 21 ASN CB . 17234 1 233 . 1 1 21 21 ASN N N 15 117.41 0.1 . 1 . . . . 21 ASN N . 17234 1 234 . 1 1 22 22 GLU H H 1 8.113 0.02 . 1 . . . . 22 GLU H . 17234 1 235 . 1 1 22 22 GLU HA H 1 4.015 0.02 . 1 . . . . 22 GLU HA . 17234 1 236 . 1 1 22 22 GLU HB2 H 1 1.922 0.02 . 2 . . . . 22 GLU HB2 . 17234 1 237 . 1 1 22 22 GLU HB3 H 1 1.922 0.02 . 2 . . . . 22 GLU HB3 . 17234 1 238 . 1 1 22 22 GLU HG2 H 1 1.928 0.02 . 2 . . . . 22 GLU HG2 . 17234 1 239 . 1 1 22 22 GLU HG3 H 1 2.507 0.02 . 2 . . . . 22 GLU HG3 . 17234 1 240 . 1 1 22 22 GLU C C 13 179.59 0.1 . 1 . . . . 22 GLU C . 17234 1 241 . 1 1 22 22 GLU CA C 13 58.73 0.111 . 1 . . . . 22 GLU CA . 17234 1 242 . 1 1 22 22 GLU CB C 13 29.13 0.113 . 1 . . . . 22 GLU CB . 17234 1 243 . 1 1 22 22 GLU CG C 13 35.54 0.131 . 1 . . . . 22 GLU CG . 17234 1 244 . 1 1 22 22 GLU N N 15 118.78 0.1 . 1 . . . . 22 GLU N . 17234 1 245 . 1 1 23 23 LEU H H 1 8.208 0.02 . 1 . . . . 23 LEU H . 17234 1 246 . 1 1 23 23 LEU HA H 1 4.159 0.02 . 1 . . . . 23 LEU HA . 17234 1 247 . 1 1 23 23 LEU HB2 H 1 1.365 0.02 . 2 . . . . 23 LEU HB2 . 17234 1 248 . 1 1 23 23 LEU HB3 H 1 1.721 0.02 . 2 . . . . 23 LEU HB3 . 17234 1 249 . 1 1 23 23 LEU HD11 H 1 0.596 0.02 . 2 . . . . 23 LEU HD1 . 17234 1 250 . 1 1 23 23 LEU HD12 H 1 0.596 0.02 . 2 . . . . 23 LEU HD1 . 17234 1 251 . 1 1 23 23 LEU HD13 H 1 0.596 0.02 . 2 . . . . 23 LEU HD1 . 17234 1 252 . 1 1 23 23 LEU HD21 H 1 0.714 0.02 . 2 . . . . 23 LEU HD2 . 17234 1 253 . 1 1 23 23 LEU HD22 H 1 0.714 0.02 . 2 . . . . 23 LEU HD2 . 17234 1 254 . 1 1 23 23 LEU HD23 H 1 0.714 0.02 . 2 . . . . 23 LEU HD2 . 17234 1 255 . 1 1 23 23 LEU HG H 1 1.688 0.02 . 1 . . . . 23 LEU HG . 17234 1 256 . 1 1 23 23 LEU C C 13 178.97 0.1 . 1 . . . . 23 LEU C . 17234 1 257 . 1 1 23 23 LEU CA C 13 56.82 0.1 . 1 . . . . 23 LEU CA . 17234 1 258 . 1 1 23 23 LEU CB C 13 41.71 0.1 . 1 . . . . 23 LEU CB . 17234 1 259 . 1 1 23 23 LEU CD1 C 13 26.53 0.1 . 1 . . . . 23 LEU CD1 . 17234 1 260 . 1 1 23 23 LEU CD2 C 13 23.41 0.1 . 1 . . . . 23 LEU CD2 . 17234 1 261 . 1 1 23 23 LEU CG C 13 27.03 0.125 . 1 . . . . 23 LEU CG . 17234 1 262 . 1 1 23 23 LEU N N 15 118.90 0.1 . 1 . . . . 23 LEU N . 17234 1 263 . 1 1 24 24 GLN H H 1 7.841 0.02 . 1 . . . . 24 GLN H . 17234 1 264 . 1 1 24 24 GLN HA H 1 4.059 0.02 . 1 . . . . 24 GLN HA . 17234 1 265 . 1 1 24 24 GLN HB2 H 1 2.151 0.02 . 2 . . . . 24 GLN HB2 . 17234 1 266 . 1 1 24 24 GLN HB3 H 1 2.226 0.02 . 2 . . . . 24 GLN HB3 . 17234 1 267 . 1 1 24 24 GLN HG2 H 1 2.418 0.02 . 2 . . . . 24 GLN HG2 . 17234 1 268 . 1 1 24 24 GLN HG3 H 1 2.562 0.02 . 2 . . . . 24 GLN HG3 . 17234 1 269 . 1 1 24 24 GLN C C 13 177.92 0.1 . 1 . . . . 24 GLN C . 17234 1 270 . 1 1 24 24 GLN CA C 13 57.97 0.1 . 1 . . . . 24 GLN CA . 17234 1 271 . 1 1 24 24 GLN CB C 13 28.55 0.1 . 1 . . . . 24 GLN CB . 17234 1 272 . 1 1 24 24 GLN CG C 13 34.29 0.1 . 1 . . . . 24 GLN CG . 17234 1 273 . 1 1 24 24 GLN N N 15 117.00 0.1 . 1 . . . . 24 GLN N . 17234 1 274 . 1 1 25 25 LYS H H 1 7.313 0.02 . 1 . . . . 25 LYS H . 17234 1 275 . 1 1 25 25 LYS HA H 1 4.097 0.02 . 1 . . . . 25 LYS HA . 17234 1 276 . 1 1 25 25 LYS HB2 H 1 1.898 0.02 . 2 . . . . 25 LYS HB2 . 17234 1 277 . 1 1 25 25 LYS HB3 H 1 1.898 0.02 . 2 . . . . 25 LYS HB3 . 17234 1 278 . 1 1 25 25 LYS HD2 H 1 1.682 0.02 . 2 . . . . 25 LYS HD2 . 17234 1 279 . 1 1 25 25 LYS HD3 H 1 1.682 0.02 . 2 . . . . 25 LYS HD3 . 17234 1 280 . 1 1 25 25 LYS HE2 H 1 2.908 0.02 . 2 . . . . 25 LYS HE2 . 17234 1 281 . 1 1 25 25 LYS HE3 H 1 2.908 0.02 . 2 . . . . 25 LYS HE3 . 17234 1 282 . 1 1 25 25 LYS HG2 H 1 1.443 0.02 . 2 . . . . 25 LYS HG2 . 17234 1 283 . 1 1 25 25 LYS HG3 H 1 1.632 0.02 . 2 . . . . 25 LYS HG3 . 17234 1 284 . 1 1 25 25 LYS C C 13 177.25 0.1 . 1 . . . . 25 LYS C . 17234 1 285 . 1 1 25 25 LYS CA C 13 58.39 0.1 . 1 . . . . 25 LYS CA . 17234 1 286 . 1 1 25 25 LYS CB C 13 33.18 0.1 . 1 . . . . 25 LYS CB . 17234 1 287 . 1 1 25 25 LYS CD C 13 29.55 0.1 . 1 . . . . 25 LYS CD . 17234 1 288 . 1 1 25 25 LYS CE C 13 41.97 0.1 . 1 . . . . 25 LYS CE . 17234 1 289 . 1 1 25 25 LYS CG C 13 25.19 0.1 . 1 . . . . 25 LYS CG . 17234 1 290 . 1 1 25 25 LYS N N 15 118.46 0.1 . 1 . . . . 25 LYS N . 17234 1 291 . 1 1 26 26 ASP H H 1 7.702 0.02 . 1 . . . . 26 ASP H . 17234 1 292 . 1 1 26 26 ASP HA H 1 4.603 0.02 . 1 . . . . 26 ASP HA . 17234 1 293 . 1 1 26 26 ASP HB2 H 1 2.549 0.02 . 2 . . . . 26 ASP HB2 . 17234 1 294 . 1 1 26 26 ASP HB3 H 1 2.843 0.02 . 2 . . . . 26 ASP HB3 . 17234 1 295 . 1 1 26 26 ASP C C 13 175.19 0.1 . 1 . . . . 26 ASP C . 17234 1 296 . 1 1 26 26 ASP CA C 13 54.06 0.1 . 1 . . . . 26 ASP CA . 17234 1 297 . 1 1 26 26 ASP CB C 13 41.47 0.1 . 1 . . . . 26 ASP CB . 17234 1 298 . 1 1 26 26 ASP N N 15 117.42 0.1 . 1 . . . . 26 ASP N . 17234 1 299 . 1 1 27 27 GLY H H 1 8.442 0.02 . 1 . . . . 27 GLY H . 17234 1 300 . 1 1 27 27 GLY HA2 H 1 3.899 0.02 . 2 . . . . 27 GLY HA2 . 17234 1 301 . 1 1 27 27 GLY HA3 H 1 4.275 0.02 . 2 . . . . 27 GLY HA3 . 17234 1 302 . 1 1 27 27 GLY C C 13 175.05 0.1 . 1 . . . . 27 GLY C . 17234 1 303 . 1 1 27 27 GLY CA C 13 46.59 0.1 . 1 . . . . 27 GLY CA . 17234 1 304 . 1 1 27 27 GLY N N 15 110.85 0.1 . 1 . . . . 27 GLY N . 17234 1 305 . 1 1 28 28 ARG H H 1 8.219 0.02 . 1 . . . . 28 ARG H . 17234 1 306 . 1 1 28 28 ARG HA H 1 4.502 0.02 . 1 . . . . 28 ARG HA . 17234 1 307 . 1 1 28 28 ARG HB2 H 1 1.785 0.02 . 2 . . . . 28 ARG HB2 . 17234 1 308 . 1 1 28 28 ARG HB3 H 1 2.033 0.02 . 2 . . . . 28 ARG HB3 . 17234 1 309 . 1 1 28 28 ARG HD2 H 1 3.182 0.02 . 2 . . . . 28 ARG HD2 . 17234 1 310 . 1 1 28 28 ARG HD3 H 1 3.182 0.02 . 2 . . . . 28 ARG HD3 . 17234 1 311 . 1 1 28 28 ARG HG2 H 1 1.585 0.02 . 2 . . . . 28 ARG HG2 . 17234 1 312 . 1 1 28 28 ARG HG3 H 1 1.668 0.02 . 2 . . . . 28 ARG HG3 . 17234 1 313 . 1 1 28 28 ARG C C 13 176.15 0.1 . 1 . . . . 28 ARG C . 17234 1 314 . 1 1 28 28 ARG CA C 13 54.92 0.1 . 1 . . . . 28 ARG CA . 17234 1 315 . 1 1 28 28 ARG CB C 13 30.06 0.103 . 1 . . . . 28 ARG CB . 17234 1 316 . 1 1 28 28 ARG CD C 13 43.38 0.1 . 1 . . . . 28 ARG CD . 17234 1 317 . 1 1 28 28 ARG CG C 13 27.16 0.1 . 1 . . . . 28 ARG CG . 17234 1 318 . 1 1 28 28 ARG N N 15 118.04 0.1 . 1 . . . . 28 ARG N . 17234 1 319 . 1 1 29 29 ILE H H 1 7.170 0.02 . 1 . . . . 29 ILE H . 17234 1 320 . 1 1 29 29 ILE HA H 1 4.124 0.02 . 1 . . . . 29 ILE HA . 17234 1 321 . 1 1 29 29 ILE HB H 1 1.925 0.02 . 1 . . . . 29 ILE HB . 17234 1 322 . 1 1 29 29 ILE HD11 H 1 0.817 0.02 . 1 . . . . 29 ILE HD1 . 17234 1 323 . 1 1 29 29 ILE HD12 H 1 0.817 0.02 . 1 . . . . 29 ILE HD1 . 17234 1 324 . 1 1 29 29 ILE HD13 H 1 0.817 0.02 . 1 . . . . 29 ILE HD1 . 17234 1 325 . 1 1 29 29 ILE HG12 H 1 1.539 0.02 . 1 . . . . 29 ILE HG11 . 17234 1 326 . 1 1 29 29 ILE HG13 H 1 1.539 0.02 . 1 . . . . 29 ILE HG12 . 17234 1 327 . 1 1 29 29 ILE HG21 H 1 0.935 0.02 . 1 . . . . 29 ILE HG2 . 17234 1 328 . 1 1 29 29 ILE HG22 H 1 0.935 0.02 . 1 . . . . 29 ILE HG2 . 17234 1 329 . 1 1 29 29 ILE HG23 H 1 0.935 0.02 . 1 . . . . 29 ILE HG2 . 17234 1 330 . 1 1 29 29 ILE C C 13 174.38 0.1 . 1 . . . . 29 ILE C . 17234 1 331 . 1 1 29 29 ILE CA C 13 61.59 0.1 . 1 . . . . 29 ILE CA . 17234 1 332 . 1 1 29 29 ILE CB C 13 39.57 0.1 . 1 . . . . 29 ILE CB . 17234 1 333 . 1 1 29 29 ILE CD1 C 13 14.57 0.214 . 1 . . . . 29 ILE CD1 . 17234 1 334 . 1 1 29 29 ILE CG1 C 13 27.32 0.1 . 1 . . . . 29 ILE CG1 . 17234 1 335 . 1 1 29 29 ILE CG2 C 13 17.50 0.1 . 1 . . . . 29 ILE CG2 . 17234 1 336 . 1 1 29 29 ILE N N 15 119.87 0.1 . 1 . . . . 29 ILE N . 17234 1 337 . 1 1 30 30 SER H H 1 8.454 0.02 . 1 . . . . 30 SER H . 17234 1 338 . 1 1 30 30 SER HA H 1 4.500 0.02 . 1 . . . . 30 SER HA . 17234 1 339 . 1 1 30 30 SER HB2 H 1 4.057 0.02 . 2 . . . . 30 SER HB2 . 17234 1 340 . 1 1 30 30 SER HB3 H 1 4.362 0.02 . 2 . . . . 30 SER HB3 . 17234 1 341 . 1 1 30 30 SER C C 13 175.00 0.1 . 1 . . . . 30 SER C . 17234 1 342 . 1 1 30 30 SER CA C 13 57.29 0.1 . 1 . . . . 30 SER CA . 17234 1 343 . 1 1 30 30 SER CB C 13 64.85 0.123 . 1 . . . . 30 SER CB . 17234 1 344 . 1 1 30 30 SER N N 15 120.52 0.1 . 1 . . . . 30 SER N . 17234 1 345 . 1 1 31 31 ASN H H 1 9.116 0.02 . 1 . . . . 31 ASN H . 17234 1 346 . 1 1 31 31 ASN HA H 1 4.499 0.02 . 1 . . . . 31 ASN HA . 17234 1 347 . 1 1 31 31 ASN HB2 H 1 2.747 0.02 . 2 . . . . 31 ASN HB2 . 17234 1 348 . 1 1 31 31 ASN HB3 H 1 2.747 0.02 . 2 . . . . 31 ASN HB3 . 17234 1 349 . 1 1 31 31 ASN HD22 H 1 6.725 0.02 . 2 . . . . 31 ASN HD22 . 17234 1 350 . 1 1 31 31 ASN C C 13 178.16 0.1 . 1 . . . . 31 ASN C . 17234 1 351 . 1 1 31 31 ASN CA C 13 57.62 0.1 . 1 . . . . 31 ASN CA . 17234 1 352 . 1 1 31 31 ASN CB C 13 39.45 0.1 . 1 . . . . 31 ASN CB . 17234 1 353 . 1 1 31 31 ASN N N 15 120.39 0.1 . 1 . . . . 31 ASN N . 17234 1 354 . 1 1 31 31 ASN ND2 N 15 110.70 0.1 . 1 . . . . 31 ASN ND2 . 17234 1 355 . 1 1 32 32 VAL H H 1 8.227 0.02 . 1 . . . . 32 VAL H . 17234 1 356 . 1 1 32 32 VAL HA H 1 3.576 0.02 . 1 . . . . 32 VAL HA . 17234 1 357 . 1 1 32 32 VAL HB H 1 2.022 0.02 . 1 . . . . 32 VAL HB . 17234 1 358 . 1 1 32 32 VAL HG11 H 1 0.974 0.02 . 2 . . . . 32 VAL HG1 . 17234 1 359 . 1 1 32 32 VAL HG12 H 1 0.974 0.02 . 2 . . . . 32 VAL HG1 . 17234 1 360 . 1 1 32 32 VAL HG13 H 1 0.974 0.02 . 2 . . . . 32 VAL HG1 . 17234 1 361 . 1 1 32 32 VAL HG21 H 1 1.096 0.02 . 2 . . . . 32 VAL HG2 . 17234 1 362 . 1 1 32 32 VAL HG22 H 1 1.096 0.02 . 2 . . . . 32 VAL HG2 . 17234 1 363 . 1 1 32 32 VAL HG23 H 1 1.096 0.02 . 2 . . . . 32 VAL HG2 . 17234 1 364 . 1 1 32 32 VAL C C 13 178.06 0.1 . 1 . . . . 32 VAL C . 17234 1 365 . 1 1 32 32 VAL CA C 13 66.99 0.1 . 1 . . . . 32 VAL CA . 17234 1 366 . 1 1 32 32 VAL CB C 13 31.91 0.1 . 1 . . . . 32 VAL CB . 17234 1 367 . 1 1 32 32 VAL CG1 C 13 21.11 0.103 . 1 . . . . 32 VAL CG1 . 17234 1 368 . 1 1 32 32 VAL CG2 C 13 22.91 0.127 . 1 . . . . 32 VAL CG2 . 17234 1 369 . 1 1 32 32 VAL N N 15 118.44 0.1 . 1 . . . . 32 VAL N . 17234 1 370 . 1 1 33 33 GLU H H 1 7.601 0.02 . 1 . . . . 33 GLU H . 17234 1 371 . 1 1 33 33 GLU HA H 1 4.078 0.02 . 1 . . . . 33 GLU HA . 17234 1 372 . 1 1 33 33 GLU HB2 H 1 1.992 0.02 . 2 . . . . 33 GLU HB2 . 17234 1 373 . 1 1 33 33 GLU HB3 H 1 2.108 0.02 . 2 . . . . 33 GLU HB3 . 17234 1 374 . 1 1 33 33 GLU HG2 H 1 2.206 0.02 . 2 . . . . 33 GLU HG2 . 17234 1 375 . 1 1 33 33 GLU HG3 H 1 2.365 0.02 . 2 . . . . 33 GLU HG3 . 17234 1 376 . 1 1 33 33 GLU C C 13 178.29 0.1 . 1 . . . . 33 GLU C . 17234 1 377 . 1 1 33 33 GLU CA C 13 58.95 0.116 . 1 . . . . 33 GLU CA . 17234 1 378 . 1 1 33 33 GLU CB C 13 29.30 0.172 . 1 . . . . 33 GLU CB . 17234 1 379 . 1 1 33 33 GLU CG C 13 35.81 0.129 . 1 . . . . 33 GLU CG . 17234 1 380 . 1 1 33 33 GLU N N 15 122.19 0.1 . 1 . . . . 33 GLU N . 17234 1 381 . 1 1 34 34 LEU H H 1 8.761 0.02 . 1 . . . . 34 LEU H . 17234 1 382 . 1 1 34 34 LEU HA H 1 3.787 0.02 . 1 . . . . 34 LEU HA . 17234 1 383 . 1 1 34 34 LEU HB2 H 1 1.428 0.02 . 2 . . . . 34 LEU HB2 . 17234 1 384 . 1 1 34 34 LEU HB3 H 1 1.994 0.02 . 2 . . . . 34 LEU HB3 . 17234 1 385 . 1 1 34 34 LEU HD11 H 1 0.753 0.02 . 2 . . . . 34 LEU HD1 . 17234 1 386 . 1 1 34 34 LEU HD12 H 1 0.753 0.02 . 2 . . . . 34 LEU HD1 . 17234 1 387 . 1 1 34 34 LEU HD13 H 1 0.753 0.02 . 2 . . . . 34 LEU HD1 . 17234 1 388 . 1 1 34 34 LEU HD21 H 1 0.862 0.02 . 2 . . . . 34 LEU HD2 . 17234 1 389 . 1 1 34 34 LEU HD22 H 1 0.862 0.02 . 2 . . . . 34 LEU HD2 . 17234 1 390 . 1 1 34 34 LEU HD23 H 1 0.862 0.02 . 2 . . . . 34 LEU HD2 . 17234 1 391 . 1 1 34 34 LEU HG H 1 1.413 0.02 . 1 . . . . 34 LEU HG . 17234 1 392 . 1 1 34 34 LEU C C 13 178.16 0.1 . 1 . . . . 34 LEU C . 17234 1 393 . 1 1 34 34 LEU CA C 13 58.57 0.121 . 1 . . . . 34 LEU CA . 17234 1 394 . 1 1 34 34 LEU CB C 13 42.08 0.1 . 1 . . . . 34 LEU CB . 17234 1 395 . 1 1 34 34 LEU CD1 C 13 27.04 0.115 . 1 . . . . 34 LEU CD1 . 17234 1 396 . 1 1 34 34 LEU CD2 C 13 23.64 0.1 . 1 . . . . 34 LEU CD2 . 17234 1 397 . 1 1 34 34 LEU CG C 13 27.06 0.1 . 1 . . . . 34 LEU CG . 17234 1 398 . 1 1 34 34 LEU N N 15 120.89 0.1 . 1 . . . . 34 LEU N . 17234 1 399 . 1 1 35 35 SER H H 1 8.378 0.02 . 1 . . . . 35 SER H . 17234 1 400 . 1 1 35 35 SER HA H 1 3.970 0.02 . 1 . . . . 35 SER HA . 17234 1 401 . 1 1 35 35 SER HB2 H 1 3.876 0.02 . 2 . . . . 35 SER HB2 . 17234 1 402 . 1 1 35 35 SER HB3 H 1 3.876 0.02 . 2 . . . . 35 SER HB3 . 17234 1 403 . 1 1 35 35 SER C C 13 176.05 0.1 . 1 . . . . 35 SER C . 17234 1 404 . 1 1 35 35 SER CA C 13 62.41 0.118 . 1 . . . . 35 SER CA . 17234 1 405 . 1 1 35 35 SER CB C 13 62.02 0.1 . 1 . . . . 35 SER CB . 17234 1 406 . 1 1 35 35 SER N N 15 113.89 0.1 . 1 . . . . 35 SER N . 17234 1 407 . 1 1 36 36 LYS H H 1 7.335 0.02 . 1 . . . . 36 LYS H . 17234 1 408 . 1 1 36 36 LYS HA H 1 4.102 0.02 . 1 . . . . 36 LYS HA . 17234 1 409 . 1 1 36 36 LYS HB2 H 1 1.990 0.02 . 2 . . . . 36 LYS HB2 . 17234 1 410 . 1 1 36 36 LYS HB3 H 1 1.990 0.02 . 2 . . . . 36 LYS HB3 . 17234 1 411 . 1 1 36 36 LYS HD2 H 1 1.705 0.02 . 2 . . . . 36 LYS HD2 . 17234 1 412 . 1 1 36 36 LYS HD3 H 1 1.705 0.02 . 2 . . . . 36 LYS HD3 . 17234 1 413 . 1 1 36 36 LYS HE2 H 1 2.924 0.02 . 2 . . . . 36 LYS HE2 . 17234 1 414 . 1 1 36 36 LYS HE3 H 1 2.924 0.02 . 2 . . . . 36 LYS HE3 . 17234 1 415 . 1 1 36 36 LYS HG2 H 1 1.428 0.02 . 2 . . . . 36 LYS HG2 . 17234 1 416 . 1 1 36 36 LYS HG3 H 1 1.644 0.02 . 2 . . . . 36 LYS HG3 . 17234 1 417 . 1 1 36 36 LYS C C 13 179.91 0.1 . 1 . . . . 36 LYS C . 17234 1 418 . 1 1 36 36 LYS CA C 13 59.12 0.1 . 1 . . . . 36 LYS CA . 17234 1 419 . 1 1 36 36 LYS CB C 13 32.54 0.1 . 1 . . . . 36 LYS CB . 17234 1 420 . 1 1 36 36 LYS CD C 13 29.65 0.108 . 1 . . . . 36 LYS CD . 17234 1 421 . 1 1 36 36 LYS CE C 13 41.97 0.1 . 1 . . . . 36 LYS CE . 17234 1 422 . 1 1 36 36 LYS CG C 13 25.08 0.1 . 1 . . . . 36 LYS CG . 17234 1 423 . 1 1 36 36 LYS N N 15 122.58 0.1 . 1 . . . . 36 LYS N . 17234 1 424 . 1 1 37 37 ARG H H 1 8.010 0.02 . 1 . . . . 37 ARG H . 17234 1 425 . 1 1 37 37 ARG HA H 1 4.104 0.02 . 1 . . . . 37 ARG HA . 17234 1 426 . 1 1 37 37 ARG HB2 H 1 1.781 0.02 . 2 . . . . 37 ARG HB2 . 17234 1 427 . 1 1 37 37 ARG HB3 H 1 1.969 0.02 . 2 . . . . 37 ARG HB3 . 17234 1 428 . 1 1 37 37 ARG HD2 H 1 2.772 0.02 . 2 . . . . 37 ARG HD2 . 17234 1 429 . 1 1 37 37 ARG HD3 H 1 3.229 0.02 . 2 . . . . 37 ARG HD3 . 17234 1 430 . 1 1 37 37 ARG HG2 H 1 1.710 0.02 . 2 . . . . 37 ARG HG2 . 17234 1 431 . 1 1 37 37 ARG HG3 H 1 2.010 0.02 . 2 . . . . 37 ARG HG3 . 17234 1 432 . 1 1 37 37 ARG C C 13 178.77 0.1 . 1 . . . . 37 ARG C . 17234 1 433 . 1 1 37 37 ARG CA C 13 59.15 0.141 . 1 . . . . 37 ARG CA . 17234 1 434 . 1 1 37 37 ARG CB C 13 30.60 0.1 . 1 . . . . 37 ARG CB . 17234 1 435 . 1 1 37 37 ARG CD C 13 43.73 0.1 . 1 . . . . 37 ARG CD . 17234 1 436 . 1 1 37 37 ARG CG C 13 27.79 0.126 . 1 . . . . 37 ARG CG . 17234 1 437 . 1 1 37 37 ARG N N 15 118.03 0.1 . 1 . . . . 37 ARG N . 17234 1 438 . 1 1 38 38 VAL H H 1 7.842 0.02 . 1 . . . . 38 VAL H . 17234 1 439 . 1 1 38 38 VAL HA H 1 4.554 0.02 . 1 . . . . 38 VAL HA . 17234 1 440 . 1 1 38 38 VAL HB H 1 2.468 0.02 . 1 . . . . 38 VAL HB . 17234 1 441 . 1 1 38 38 VAL HG11 H 1 0.836 0.02 . 2 . . . . 38 VAL HG1 . 17234 1 442 . 1 1 38 38 VAL HG12 H 1 0.836 0.02 . 2 . . . . 38 VAL HG1 . 17234 1 443 . 1 1 38 38 VAL HG13 H 1 0.836 0.02 . 2 . . . . 38 VAL HG1 . 17234 1 444 . 1 1 38 38 VAL HG21 H 1 0.914 0.02 . 2 . . . . 38 VAL HG2 . 17234 1 445 . 1 1 38 38 VAL HG22 H 1 0.914 0.02 . 2 . . . . 38 VAL HG2 . 17234 1 446 . 1 1 38 38 VAL HG23 H 1 0.914 0.02 . 2 . . . . 38 VAL HG2 . 17234 1 447 . 1 1 38 38 VAL C C 13 175.97 0.1 . 1 . . . . 38 VAL C . 17234 1 448 . 1 1 38 38 VAL CA C 13 60.94 0.1 . 1 . . . . 38 VAL CA . 17234 1 449 . 1 1 38 38 VAL CB C 13 32.15 0.1 . 1 . . . . 38 VAL CB . 17234 1 450 . 1 1 38 38 VAL CG1 C 13 21.07 0.126 . 1 . . . . 38 VAL CG1 . 17234 1 451 . 1 1 38 38 VAL CG2 C 13 18.90 0.1 . 1 . . . . 38 VAL CG2 . 17234 1 452 . 1 1 38 38 VAL N N 15 108.46 0.108 . 1 . . . . 38 VAL N . 17234 1 453 . 1 1 39 39 GLY H H 1 7.686 0.02 . 1 . . . . 39 GLY H . 17234 1 454 . 1 1 39 39 GLY HA2 H 1 3.886 0.02 . 2 . . . . 39 GLY HA2 . 17234 1 455 . 1 1 39 39 GLY HA3 H 1 4.033 0.02 . 2 . . . . 39 GLY HA3 . 17234 1 456 . 1 1 39 39 GLY C C 13 174.22 0.1 . 1 . . . . 39 GLY C . 17234 1 457 . 1 1 39 39 GLY CA C 13 46.68 0.182 . 1 . . . . 39 GLY CA . 17234 1 458 . 1 1 39 39 GLY N N 15 110.19 0.1 . 1 . . . . 39 GLY N . 17234 1 459 . 1 1 40 40 LEU H H 1 8.093 0.02 . 1 . . . . 40 LEU H . 17234 1 460 . 1 1 40 40 LEU HA H 1 4.855 0.02 . 1 . . . . 40 LEU HA . 17234 1 461 . 1 1 40 40 LEU HB2 H 1 1.244 0.02 . 2 . . . . 40 LEU HB2 . 17234 1 462 . 1 1 40 40 LEU HB3 H 1 1.690 0.02 . 2 . . . . 40 LEU HB3 . 17234 1 463 . 1 1 40 40 LEU HD11 H 1 0.736 0.02 . 2 . . . . 40 LEU HD1 . 17234 1 464 . 1 1 40 40 LEU HD12 H 1 0.736 0.02 . 2 . . . . 40 LEU HD1 . 17234 1 465 . 1 1 40 40 LEU HD13 H 1 0.736 0.02 . 2 . . . . 40 LEU HD1 . 17234 1 466 . 1 1 40 40 LEU HD21 H 1 0.921 0.02 . 2 . . . . 40 LEU HD2 . 17234 1 467 . 1 1 40 40 LEU HD22 H 1 0.921 0.02 . 2 . . . . 40 LEU HD2 . 17234 1 468 . 1 1 40 40 LEU HD23 H 1 0.921 0.02 . 2 . . . . 40 LEU HD2 . 17234 1 469 . 1 1 40 40 LEU HG H 1 1.585 0.02 . 1 . . . . 40 LEU HG . 17234 1 470 . 1 1 40 40 LEU C C 13 176.37 0.1 . 1 . . . . 40 LEU C . 17234 1 471 . 1 1 40 40 LEU CA C 13 52.73 0.1 . 1 . . . . 40 LEU CA . 17234 1 472 . 1 1 40 40 LEU CB C 13 48.10 0.1 . 1 . . . . 40 LEU CB . 17234 1 473 . 1 1 40 40 LEU CD1 C 13 26.76 0.1 . 1 . . . . 40 LEU CD1 . 17234 1 474 . 1 1 40 40 LEU CD2 C 13 23.58 0.1 . 1 . . . . 40 LEU CD2 . 17234 1 475 . 1 1 40 40 LEU CG C 13 26.82 0.1 . 1 . . . . 40 LEU CG . 17234 1 476 . 1 1 40 40 LEU N N 15 119.53 0.1 . 1 . . . . 40 LEU N . 17234 1 477 . 1 1 41 41 SER H H 1 8.179 0.02 . 1 . . . . 41 SER H . 17234 1 478 . 1 1 41 41 SER HA H 1 4.818 0.02 . 1 . . . . 41 SER HA . 17234 1 479 . 1 1 41 41 SER HB2 H 1 3.874 0.045 . 2 . . . . 41 SER HB2 . 17234 1 480 . 1 1 41 41 SER HB3 H 1 4.073 0.02 . 2 . . . . 41 SER HB3 . 17234 1 481 . 1 1 41 41 SER CA C 13 57.90 0.1 . 1 . . . . 41 SER CA . 17234 1 482 . 1 1 41 41 SER CB C 13 62.17 0.224 . 1 . . . . 41 SER CB . 17234 1 483 . 1 1 41 41 SER N N 15 115.92 0.1 . 1 . . . . 41 SER N . 17234 1 484 . 1 1 42 42 PRO HA H 1 4.270 0.02 . 1 . . . . 42 PRO HA . 17234 1 485 . 1 1 42 42 PRO HB2 H 1 2.001 0.02 . 2 . . . . 42 PRO HB2 . 17234 1 486 . 1 1 42 42 PRO HB3 H 1 2.242 0.02 . 2 . . . . 42 PRO HB3 . 17234 1 487 . 1 1 42 42 PRO HD2 H 1 3.841 0.02 . 2 . . . . 42 PRO HD2 . 17234 1 488 . 1 1 42 42 PRO HD3 H 1 4.004 0.02 . 2 . . . . 42 PRO HD3 . 17234 1 489 . 1 1 42 42 PRO HG2 H 1 2.040 0.02 . 2 . . . . 42 PRO HG2 . 17234 1 490 . 1 1 42 42 PRO HG3 H 1 2.245 0.02 . 2 . . . . 42 PRO HG3 . 17234 1 491 . 1 1 42 42 PRO C C 13 178.85 0.1 . 1 . . . . 42 PRO C . 17234 1 492 . 1 1 42 42 PRO CA C 13 67.11 0.136 . 1 . . . . 42 PRO CA . 17234 1 493 . 1 1 42 42 PRO CB C 13 32.54 0.1 . 1 . . . . 42 PRO CB . 17234 1 494 . 1 1 42 42 PRO CD C 13 50.81 0.1 . 1 . . . . 42 PRO CD . 17234 1 495 . 1 1 42 42 PRO CG C 13 28.28 0.102 . 1 . . . . 42 PRO CG . 17234 1 496 . 1 1 43 43 THR H H 1 8.897 0.02 . 1 . . . . 43 THR H . 17234 1 497 . 1 1 43 43 THR HA H 1 4.211 0.02 . 1 . . . . 43 THR HA . 17234 1 498 . 1 1 43 43 THR HB H 1 4.396 0.02 . 1 . . . . 43 THR HB . 17234 1 499 . 1 1 43 43 THR HG21 H 1 1.257 0.02 . 1 . . . . 43 THR HG2 . 17234 1 500 . 1 1 43 43 THR HG22 H 1 1.257 0.02 . 1 . . . . 43 THR HG2 . 17234 1 501 . 1 1 43 43 THR HG23 H 1 1.257 0.02 . 1 . . . . 43 THR HG2 . 17234 1 502 . 1 1 43 43 THR CA C 13 69.01 0.183 . 1 . . . . 43 THR CA . 17234 1 503 . 1 1 43 43 THR CB C 13 66.04 0.1 . 1 . . . . 43 THR CB . 17234 1 504 . 1 1 43 43 THR CG2 C 13 22.43 0.1 . 1 . . . . 43 THR CG2 . 17234 1 505 . 1 1 43 43 THR N N 15 114.78 0.1 . 1 . . . . 43 THR N . 17234 1 506 . 1 1 44 44 PRO HA H 1 4.416 0.02 . 1 . . . . 44 PRO HA . 17234 1 507 . 1 1 44 44 PRO HB2 H 1 1.848 0.02 . 2 . . . . 44 PRO HB2 . 17234 1 508 . 1 1 44 44 PRO HB3 H 1 2.378 0.02 . 2 . . . . 44 PRO HB3 . 17234 1 509 . 1 1 44 44 PRO HD2 H 1 3.456 0.02 . 2 . . . . 44 PRO HD2 . 17234 1 510 . 1 1 44 44 PRO HD3 H 1 3.669 0.02 . 2 . . . . 44 PRO HD3 . 17234 1 511 . 1 1 44 44 PRO HG2 H 1 2.037 0.02 . 2 . . . . 44 PRO HG2 . 17234 1 512 . 1 1 44 44 PRO HG3 H 1 2.177 0.02 . 2 . . . . 44 PRO HG3 . 17234 1 513 . 1 1 44 44 PRO C C 13 179.22 0.1 . 1 . . . . 44 PRO C . 17234 1 514 . 1 1 44 44 PRO CA C 13 65.37 0.101 . 1 . . . . 44 PRO CA . 17234 1 515 . 1 1 44 44 PRO CB C 13 31.01 0.1 . 1 . . . . 44 PRO CB . 17234 1 516 . 1 1 44 44 PRO CD C 13 49.54 0.133 . 1 . . . . 44 PRO CD . 17234 1 517 . 1 1 44 44 PRO CG C 13 28.24 0.115 . 1 . . . . 44 PRO CG . 17234 1 518 . 1 1 45 45 CYS H H 1 7.601 0.02 . 1 . . . . 45 CYS H . 17234 1 519 . 1 1 45 45 CYS HA H 1 3.822 0.02 . 1 . . . . 45 CYS HA . 17234 1 520 . 1 1 45 45 CYS HB2 H 1 2.394 0.02 . 2 . . . . 45 CYS HB2 . 17234 1 521 . 1 1 45 45 CYS HB3 H 1 3.226 0.02 . 2 . . . . 45 CYS HB3 . 17234 1 522 . 1 1 45 45 CYS C C 13 175.14 0.1 . 1 . . . . 45 CYS C . 17234 1 523 . 1 1 45 45 CYS CA C 13 63.15 0.123 . 1 . . . . 45 CYS CA . 17234 1 524 . 1 1 45 45 CYS CB C 13 26.77 0.1 . 1 . . . . 45 CYS CB . 17234 1 525 . 1 1 45 45 CYS N N 15 117.60 0.1 . 1 . . . . 45 CYS N . 17234 1 526 . 1 1 46 46 LEU H H 1 8.278 0.02 . 1 . . . . 46 LEU H . 17234 1 527 . 1 1 46 46 LEU HA H 1 4.010 0.02 . 1 . . . . 46 LEU HA . 17234 1 528 . 1 1 46 46 LEU HB2 H 1 1.726 0.02 . 2 . . . . 46 LEU HB2 . 17234 1 529 . 1 1 46 46 LEU HB3 H 1 1.989 0.02 . 2 . . . . 46 LEU HB3 . 17234 1 530 . 1 1 46 46 LEU HD11 H 1 0.891 0.02 . 2 . . . . 46 LEU HD1 . 17234 1 531 . 1 1 46 46 LEU HD12 H 1 0.891 0.02 . 2 . . . . 46 LEU HD1 . 17234 1 532 . 1 1 46 46 LEU HD13 H 1 0.891 0.02 . 2 . . . . 46 LEU HD1 . 17234 1 533 . 1 1 46 46 LEU HD21 H 1 0.898 0.02 . 2 . . . . 46 LEU HD2 . 17234 1 534 . 1 1 46 46 LEU HD22 H 1 0.898 0.02 . 2 . . . . 46 LEU HD2 . 17234 1 535 . 1 1 46 46 LEU HD23 H 1 0.898 0.02 . 2 . . . . 46 LEU HD2 . 17234 1 536 . 1 1 46 46 LEU HG H 1 1.607 0.02 . 1 . . . . 46 LEU HG . 17234 1 537 . 1 1 46 46 LEU C C 13 179.09 0.1 . 1 . . . . 46 LEU C . 17234 1 538 . 1 1 46 46 LEU CA C 13 58.09 0.115 . 1 . . . . 46 LEU CA . 17234 1 539 . 1 1 46 46 LEU CB C 13 41.53 0.1 . 1 . . . . 46 LEU CB . 17234 1 540 . 1 1 46 46 LEU CD1 C 13 23.71 0.1 . 1 . . . . 46 LEU CD1 . 17234 1 541 . 1 1 46 46 LEU CD2 C 13 25.52 0.1 . 1 . . . . 46 LEU CD2 . 17234 1 542 . 1 1 46 46 LEU CG C 13 27.18 0.1 . 1 . . . . 46 LEU CG . 17234 1 543 . 1 1 46 46 LEU N N 15 121.45 0.1 . 1 . . . . 46 LEU N . 17234 1 544 . 1 1 47 47 GLU H H 1 7.988 0.02 . 1 . . . . 47 GLU H . 17234 1 545 . 1 1 47 47 GLU HA H 1 4.019 0.02 . 1 . . . . 47 GLU HA . 17234 1 546 . 1 1 47 47 GLU HB2 H 1 2.087 0.02 . 2 . . . . 47 GLU HB2 . 17234 1 547 . 1 1 47 47 GLU HB3 H 1 2.087 0.02 . 2 . . . . 47 GLU HB3 . 17234 1 548 . 1 1 47 47 GLU HG2 H 1 2.253 0.02 . 2 . . . . 47 GLU HG2 . 17234 1 549 . 1 1 47 47 GLU HG3 H 1 2.420 0.02 . 2 . . . . 47 GLU HG3 . 17234 1 550 . 1 1 47 47 GLU C C 13 180.30 0.1 . 1 . . . . 47 GLU C . 17234 1 551 . 1 1 47 47 GLU CA C 13 59.38 0.1 . 1 . . . . 47 GLU CA . 17234 1 552 . 1 1 47 47 GLU CB C 13 29.42 0.1 . 1 . . . . 47 GLU CB . 17234 1 553 . 1 1 47 47 GLU CG C 13 36.33 0.1 . 1 . . . . 47 GLU CG . 17234 1 554 . 1 1 47 47 GLU N N 15 116.97 0.1 . 1 . . . . 47 GLU N . 17234 1 555 . 1 1 48 48 ARG H H 1 7.752 0.02 . 1 . . . . 48 ARG H . 17234 1 556 . 1 1 48 48 ARG HA H 1 4.098 0.02 . 1 . . . . 48 ARG HA . 17234 1 557 . 1 1 48 48 ARG HB2 H 1 1.805 0.02 . 2 . . . . 48 ARG HB2 . 17234 1 558 . 1 1 48 48 ARG HB3 H 1 2.063 0.02 . 2 . . . . 48 ARG HB3 . 17234 1 559 . 1 1 48 48 ARG HD2 H 1 2.853 0.02 . 2 . . . . 48 ARG HD2 . 17234 1 560 . 1 1 48 48 ARG HD3 H 1 3.013 0.02 . 2 . . . . 48 ARG HD3 . 17234 1 561 . 1 1 48 48 ARG HG2 H 1 1.711 0.02 . 2 . . . . 48 ARG HG2 . 17234 1 562 . 1 1 48 48 ARG HG3 H 1 1.802 0.02 . 2 . . . . 48 ARG HG3 . 17234 1 563 . 1 1 48 48 ARG C C 13 179.43 0.1 . 1 . . . . 48 ARG C . 17234 1 564 . 1 1 48 48 ARG CA C 13 59.47 0.1 . 1 . . . . 48 ARG CA . 17234 1 565 . 1 1 48 48 ARG CB C 13 30.10 0.142 . 1 . . . . 48 ARG CB . 17234 1 566 . 1 1 48 48 ARG CD C 13 43.67 0.106 . 1 . . . . 48 ARG CD . 17234 1 567 . 1 1 48 48 ARG CG C 13 29.74 0.189 . 1 . . . . 48 ARG CG . 17234 1 568 . 1 1 48 48 ARG N N 15 119.90 0.1 . 1 . . . . 48 ARG N . 17234 1 569 . 1 1 49 49 VAL H H 1 8.572 0.02 . 1 . . . . 49 VAL H . 17234 1 570 . 1 1 49 49 VAL HA H 1 3.421 0.02 . 1 . . . . 49 VAL HA . 17234 1 571 . 1 1 49 49 VAL HB H 1 2.249 0.02 . 1 . . . . 49 VAL HB . 17234 1 572 . 1 1 49 49 VAL HG11 H 1 0.825 0.02 . 2 . . . . 49 VAL HG1 . 17234 1 573 . 1 1 49 49 VAL HG12 H 1 0.825 0.02 . 2 . . . . 49 VAL HG1 . 17234 1 574 . 1 1 49 49 VAL HG13 H 1 0.825 0.02 . 2 . . . . 49 VAL HG1 . 17234 1 575 . 1 1 49 49 VAL HG21 H 1 1.004 0.033 . 2 . . . . 49 VAL HG2 . 17234 1 576 . 1 1 49 49 VAL HG22 H 1 1.004 0.033 . 2 . . . . 49 VAL HG2 . 17234 1 577 . 1 1 49 49 VAL HG23 H 1 1.004 0.033 . 2 . . . . 49 VAL HG2 . 17234 1 578 . 1 1 49 49 VAL C C 13 177.76 0.1 . 1 . . . . 49 VAL C . 17234 1 579 . 1 1 49 49 VAL CA C 13 67.56 0.1 . 1 . . . . 49 VAL CA . 17234 1 580 . 1 1 49 49 VAL CB C 13 31.71 0.1 . 1 . . . . 49 VAL CB . 17234 1 581 . 1 1 49 49 VAL CG1 C 13 21.93 0.107 . 1 . . . . 49 VAL CG1 . 17234 1 582 . 1 1 49 49 VAL CG2 C 13 23.92 0.1 . 1 . . . . 49 VAL CG2 . 17234 1 583 . 1 1 49 49 VAL N N 15 121.15 0.1 . 1 . . . . 49 VAL N . 17234 1 584 . 1 1 50 50 ARG H H 1 8.642 0.02 . 1 . . . . 50 ARG H . 17234 1 585 . 1 1 50 50 ARG HA H 1 4.084 0.02 . 1 . . . . 50 ARG HA . 17234 1 586 . 1 1 50 50 ARG HB2 H 1 1.890 0.02 . 2 . . . . 50 ARG HB2 . 17234 1 587 . 1 1 50 50 ARG HB3 H 1 1.965 0.02 . 2 . . . . 50 ARG HB3 . 17234 1 588 . 1 1 50 50 ARG HD2 H 1 3.148 0.02 . 2 . . . . 50 ARG HD2 . 17234 1 589 . 1 1 50 50 ARG HD3 H 1 3.231 0.02 . 2 . . . . 50 ARG HD3 . 17234 1 590 . 1 1 50 50 ARG HG2 H 1 1.690 0.02 . 2 . . . . 50 ARG HG2 . 17234 1 591 . 1 1 50 50 ARG HG3 H 1 1.878 0.02 . 2 . . . . 50 ARG HG3 . 17234 1 592 . 1 1 50 50 ARG C C 13 179.52 0.1 . 1 . . . . 50 ARG C . 17234 1 593 . 1 1 50 50 ARG CA C 13 59.53 0.1 . 1 . . . . 50 ARG CA . 17234 1 594 . 1 1 50 50 ARG CB C 13 30.07 0.1 . 1 . . . . 50 ARG CB . 17234 1 595 . 1 1 50 50 ARG CD C 13 43.49 0.100 . 1 . . . . 50 ARG CD . 17234 1 596 . 1 1 50 50 ARG CG C 13 28.27 0.1 . 1 . . . . 50 ARG CG . 17234 1 597 . 1 1 50 50 ARG N N 15 118.12 0.1 . 1 . . . . 50 ARG N . 17234 1 598 . 1 1 51 51 ARG H H 1 7.713 0.02 . 1 . . . . 51 ARG H . 17234 1 599 . 1 1 51 51 ARG HA H 1 4.063 0.02 . 1 . . . . 51 ARG HA . 17234 1 600 . 1 1 51 51 ARG HB2 H 1 1.919 0.02 . 2 . . . . 51 ARG HB2 . 17234 1 601 . 1 1 51 51 ARG HB3 H 1 2.046 0.02 . 2 . . . . 51 ARG HB3 . 17234 1 602 . 1 1 51 51 ARG HD2 H 1 3.181 0.02 . 2 . . . . 51 ARG HD2 . 17234 1 603 . 1 1 51 51 ARG HD3 H 1 3.292 0.02 . 2 . . . . 51 ARG HD3 . 17234 1 604 . 1 1 51 51 ARG HG2 H 1 1.560 0.02 . 2 . . . . 51 ARG HG2 . 17234 1 605 . 1 1 51 51 ARG HG3 H 1 1.764 0.02 . 2 . . . . 51 ARG HG3 . 17234 1 606 . 1 1 51 51 ARG C C 13 178.32 0.1 . 1 . . . . 51 ARG C . 17234 1 607 . 1 1 51 51 ARG CA C 13 59.89 0.1 . 1 . . . . 51 ARG CA . 17234 1 608 . 1 1 51 51 ARG CB C 13 30.04 0.1 . 1 . . . . 51 ARG CB . 17234 1 609 . 1 1 51 51 ARG CD C 13 43.36 0.1 . 1 . . . . 51 ARG CD . 17234 1 610 . 1 1 51 51 ARG CG C 13 27.64 0.107 . 1 . . . . 51 ARG CG . 17234 1 611 . 1 1 51 51 ARG N N 15 120.68 0.1 . 1 . . . . 51 ARG N . 17234 1 612 . 1 1 52 52 LEU H H 1 8.285 0.02 . 1 . . . . 52 LEU H . 17234 1 613 . 1 1 52 52 LEU HA H 1 4.222 0.02 . 1 . . . . 52 LEU HA . 17234 1 614 . 1 1 52 52 LEU HB2 H 1 1.280 0.02 . 2 . . . . 52 LEU HB2 . 17234 1 615 . 1 1 52 52 LEU HB3 H 1 2.217 0.02 . 2 . . . . 52 LEU HB3 . 17234 1 616 . 1 1 52 52 LEU HD11 H 1 0.657 0.02 . 2 . . . . 52 LEU HD1 . 17234 1 617 . 1 1 52 52 LEU HD12 H 1 0.657 0.02 . 2 . . . . 52 LEU HD1 . 17234 1 618 . 1 1 52 52 LEU HD13 H 1 0.657 0.02 . 2 . . . . 52 LEU HD1 . 17234 1 619 . 1 1 52 52 LEU HD21 H 1 0.764 0.02 . 2 . . . . 52 LEU HD2 . 17234 1 620 . 1 1 52 52 LEU HD22 H 1 0.764 0.02 . 2 . . . . 52 LEU HD2 . 17234 1 621 . 1 1 52 52 LEU HD23 H 1 0.764 0.02 . 2 . . . . 52 LEU HD2 . 17234 1 622 . 1 1 52 52 LEU HG H 1 1.932 0.02 . 1 . . . . 52 LEU HG . 17234 1 623 . 1 1 52 52 LEU C C 13 179.84 0.1 . 1 . . . . 52 LEU C . 17234 1 624 . 1 1 52 52 LEU CA C 13 58.23 0.139 . 1 . . . . 52 LEU CA . 17234 1 625 . 1 1 52 52 LEU CB C 13 41.90 0.137 . 1 . . . . 52 LEU CB . 17234 1 626 . 1 1 52 52 LEU CD1 C 13 23.74 0.1 . 1 . . . . 52 LEU CD1 . 17234 1 627 . 1 1 52 52 LEU CD2 C 13 25.59 0.1 . 1 . . . . 52 LEU CD2 . 17234 1 628 . 1 1 52 52 LEU CG C 13 27.13 0.1 . 1 . . . . 52 LEU CG . 17234 1 629 . 1 1 52 52 LEU N N 15 120.35 0.1 . 1 . . . . 52 LEU N . 17234 1 630 . 1 1 53 53 GLU H H 1 8.618 0.02 . 1 . . . . 53 GLU H . 17234 1 631 . 1 1 53 53 GLU HA H 1 4.430 0.02 . 1 . . . . 53 GLU HA . 17234 1 632 . 1 1 53 53 GLU HB2 H 1 2.162 0.02 . 2 . . . . 53 GLU HB2 . 17234 1 633 . 1 1 53 53 GLU HB3 H 1 2.162 0.02 . 2 . . . . 53 GLU HB3 . 17234 1 634 . 1 1 53 53 GLU HG2 H 1 2.163 0.02 . 2 . . . . 53 GLU HG2 . 17234 1 635 . 1 1 53 53 GLU HG3 H 1 2.439 0.02 . 2 . . . . 53 GLU HG3 . 17234 1 636 . 1 1 53 53 GLU C C 13 180.73 0.1 . 1 . . . . 53 GLU C . 17234 1 637 . 1 1 53 53 GLU CA C 13 59.21 0.140 . 1 . . . . 53 GLU CA . 17234 1 638 . 1 1 53 53 GLU CB C 13 29.77 0.1 . 1 . . . . 53 GLU CB . 17234 1 639 . 1 1 53 53 GLU CG C 13 36.58 0.102 . 1 . . . . 53 GLU CG . 17234 1 640 . 1 1 53 53 GLU N N 15 120.82 0.1 . 1 . . . . 53 GLU N . 17234 1 641 . 1 1 54 54 ARG H H 1 8.313 0.02 . 1 . . . . 54 ARG H . 17234 1 642 . 1 1 54 54 ARG HA H 1 4.126 0.02 . 1 . . . . 54 ARG HA . 17234 1 643 . 1 1 54 54 ARG HB2 H 1 2.027 0.02 . 2 . . . . 54 ARG HB2 . 17234 1 644 . 1 1 54 54 ARG HB3 H 1 2.113 0.02 . 2 . . . . 54 ARG HB3 . 17234 1 645 . 1 1 54 54 ARG HD2 H 1 3.257 0.02 . 2 . . . . 54 ARG HD2 . 17234 1 646 . 1 1 54 54 ARG HD3 H 1 3.257 0.02 . 2 . . . . 54 ARG HD3 . 17234 1 647 . 1 1 54 54 ARG HG2 H 1 1.761 0.02 . 2 . . . . 54 ARG HG2 . 17234 1 648 . 1 1 54 54 ARG HG3 H 1 1.886 0.02 . 2 . . . . 54 ARG HG3 . 17234 1 649 . 1 1 54 54 ARG C C 13 178.82 0.1 . 1 . . . . 54 ARG C . 17234 1 650 . 1 1 54 54 ARG CA C 13 59.28 0.1 . 1 . . . . 54 ARG CA . 17234 1 651 . 1 1 54 54 ARG CB C 13 30.13 0.1 . 1 . . . . 54 ARG CB . 17234 1 652 . 1 1 54 54 ARG CD C 13 43.60 0.1 . 1 . . . . 54 ARG CD . 17234 1 653 . 1 1 54 54 ARG CG C 13 27.71 0.109 . 1 . . . . 54 ARG CG . 17234 1 654 . 1 1 54 54 ARG N N 15 121.92 0.1 . 1 . . . . 54 ARG N . 17234 1 655 . 1 1 55 55 GLN H H 1 8.019 0.02 . 1 . . . . 55 GLN H . 17234 1 656 . 1 1 55 55 GLN HA H 1 4.248 0.02 . 1 . . . . 55 GLN HA . 17234 1 657 . 1 1 55 55 GLN HB2 H 1 2.155 0.02 . 2 . . . . 55 GLN HB2 . 17234 1 658 . 1 1 55 55 GLN HB3 H 1 2.310 0.02 . 2 . . . . 55 GLN HB3 . 17234 1 659 . 1 1 55 55 GLN HE21 H 1 7.217 0.02 . 2 . . . . 55 GLN HE21 . 17234 1 660 . 1 1 55 55 GLN HE22 H 1 6.835 0.02 . 2 . . . . 55 GLN HE22 . 17234 1 661 . 1 1 55 55 GLN HG2 H 1 2.423 0.02 . 2 . . . . 55 GLN HG2 . 17234 1 662 . 1 1 55 55 GLN HG3 H 1 2.658 0.02 . 2 . . . . 55 GLN HG3 . 17234 1 663 . 1 1 55 55 GLN C C 13 176.02 0.1 . 1 . . . . 55 GLN C . 17234 1 664 . 1 1 55 55 GLN CA C 13 56.11 0.1 . 1 . . . . 55 GLN CA . 17234 1 665 . 1 1 55 55 GLN CB C 13 30.31 0.1 . 1 . . . . 55 GLN CB . 17234 1 666 . 1 1 55 55 GLN CG C 13 34.91 0.136 . 1 . . . . 55 GLN CG . 17234 1 667 . 1 1 55 55 GLN N N 15 114.61 0.1 . 1 . . . . 55 GLN N . 17234 1 668 . 1 1 55 55 GLN NE2 N 15 108.97 0.1 . 1 . . . . 55 GLN NE2 . 17234 1 669 . 1 1 56 56 GLY H H 1 7.763 0.02 . 1 . . . . 56 GLY H . 17234 1 670 . 1 1 56 56 GLY HA2 H 1 3.829 0.02 . 2 . . . . 56 GLY HA2 . 17234 1 671 . 1 1 56 56 GLY HA3 H 1 4.033 0.02 . 2 . . . . 56 GLY HA3 . 17234 1 672 . 1 1 56 56 GLY C C 13 175.07 0.1 . 1 . . . . 56 GLY C . 17234 1 673 . 1 1 56 56 GLY CA C 13 45.67 0.1 . 1 . . . . 56 GLY CA . 17234 1 674 . 1 1 56 56 GLY N N 15 105.94 0.1 . 1 . . . . 56 GLY N . 17234 1 675 . 1 1 57 57 PHE H H 1 8.150 0.02 . 1 . . . . 57 PHE H . 17234 1 676 . 1 1 57 57 PHE HA H 1 4.398 0.02 . 1 . . . . 57 PHE HA . 17234 1 677 . 1 1 57 57 PHE HB2 H 1 2.772 0.02 . 2 . . . . 57 PHE HB2 . 17234 1 678 . 1 1 57 57 PHE HB3 H 1 3.301 0.02 . 2 . . . . 57 PHE HB3 . 17234 1 679 . 1 1 57 57 PHE C C 13 175.40 0.1 . 1 . . . . 57 PHE C . 17234 1 680 . 1 1 57 57 PHE CA C 13 60.06 0.220 . 1 . . . . 57 PHE CA . 17234 1 681 . 1 1 57 57 PHE CB C 13 40.76 0.128 . 1 . . . . 57 PHE CB . 17234 1 682 . 1 1 57 57 PHE N N 15 116.89 0.1 . 1 . . . . 57 PHE N . 17234 1 683 . 1 1 58 58 ILE H H 1 7.290 0.02 . 1 . . . . 58 ILE H . 17234 1 684 . 1 1 58 58 ILE HA H 1 4.382 0.02 . 1 . . . . 58 ILE HA . 17234 1 685 . 1 1 58 58 ILE HB H 1 1.628 0.02 . 1 . . . . 58 ILE HB . 17234 1 686 . 1 1 58 58 ILE HD11 H 1 0.793 0.02 . 1 . . . . 58 ILE HD1 . 17234 1 687 . 1 1 58 58 ILE HD12 H 1 0.793 0.02 . 1 . . . . 58 ILE HD1 . 17234 1 688 . 1 1 58 58 ILE HD13 H 1 0.793 0.02 . 1 . . . . 58 ILE HD1 . 17234 1 689 . 1 1 58 58 ILE HG12 H 1 0.834 0.02 . 1 . . . . 58 ILE HG11 . 17234 1 690 . 1 1 58 58 ILE HG13 H 1 1.306 0.02 . 1 . . . . 58 ILE HG12 . 17234 1 691 . 1 1 58 58 ILE HG21 H 1 0.835 0.02 . 1 . . . . 58 ILE HG2 . 17234 1 692 . 1 1 58 58 ILE HG22 H 1 0.835 0.02 . 1 . . . . 58 ILE HG2 . 17234 1 693 . 1 1 58 58 ILE HG23 H 1 0.835 0.02 . 1 . . . . 58 ILE HG2 . 17234 1 694 . 1 1 58 58 ILE C C 13 174.46 0.1 . 1 . . . . 58 ILE C . 17234 1 695 . 1 1 58 58 ILE CA C 13 59.69 0.1 . 1 . . . . 58 ILE CA . 17234 1 696 . 1 1 58 58 ILE CB C 13 41.27 0.105 . 1 . . . . 58 ILE CB . 17234 1 697 . 1 1 58 58 ILE CD1 C 13 14.97 0.110 . 1 . . . . 58 ILE CD1 . 17234 1 698 . 1 1 58 58 ILE CG1 C 13 27.00 0.137 . 1 . . . . 58 ILE CG1 . 17234 1 699 . 1 1 58 58 ILE CG2 C 13 18.32 0.1 . 1 . . . . 58 ILE CG2 . 17234 1 700 . 1 1 58 58 ILE N N 15 114.00 0.1 . 1 . . . . 58 ILE N . 17234 1 701 . 1 1 59 59 GLN H H 1 8.533 0.02 . 1 . . . . 59 GLN H . 17234 1 702 . 1 1 59 59 GLN HA H 1 4.542 0.02 . 1 . . . . 59 GLN HA . 17234 1 703 . 1 1 59 59 GLN HB2 H 1 1.939 0.02 . 2 . . . . 59 GLN HB2 . 17234 1 704 . 1 1 59 59 GLN HB3 H 1 2.055 0.02 . 2 . . . . 59 GLN HB3 . 17234 1 705 . 1 1 59 59 GLN HG2 H 1 2.291 0.02 . 2 . . . . 59 GLN HG2 . 17234 1 706 . 1 1 59 59 GLN HG3 H 1 2.291 0.02 . 2 . . . . 59 GLN HG3 . 17234 1 707 . 1 1 59 59 GLN C C 13 176.03 0.1 . 1 . . . . 59 GLN C . 17234 1 708 . 1 1 59 59 GLN CA C 13 55.50 0.1 . 1 . . . . 59 GLN CA . 17234 1 709 . 1 1 59 59 GLN CB C 13 30.72 0.104 . 1 . . . . 59 GLN CB . 17234 1 710 . 1 1 59 59 GLN CG C 13 33.84 0.131 . 1 . . . . 59 GLN CG . 17234 1 711 . 1 1 59 59 GLN N N 15 122.73 0.1 . 1 . . . . 59 GLN N . 17234 1 712 . 1 1 60 60 GLY H H 1 8.701 0.02 . 1 . . . . 60 GLY H . 17234 1 713 . 1 1 60 60 GLY HA2 H 1 3.836 0.02 . 2 . . . . 60 GLY HA2 . 17234 1 714 . 1 1 60 60 GLY HA3 H 1 3.958 0.02 . 2 . . . . 60 GLY HA3 . 17234 1 715 . 1 1 60 60 GLY C C 13 173.90 0.1 . 1 . . . . 60 GLY C . 17234 1 716 . 1 1 60 60 GLY CA C 13 45.86 0.144 . 1 . . . . 60 GLY CA . 17234 1 717 . 1 1 60 60 GLY N N 15 110.54 0.1 . 1 . . . . 60 GLY N . 17234 1 718 . 1 1 61 61 TYR H H 1 8.190 0.02 . 1 . . . . 61 TYR H . 17234 1 719 . 1 1 61 61 TYR HA H 1 4.528 0.02 . 1 . . . . 61 TYR HA . 17234 1 720 . 1 1 61 61 TYR HB2 H 1 2.935 0.02 . 2 . . . . 61 TYR HB2 . 17234 1 721 . 1 1 61 61 TYR HB3 H 1 2.935 0.02 . 2 . . . . 61 TYR HB3 . 17234 1 722 . 1 1 61 61 TYR C C 13 176.71 0.1 . 1 . . . . 61 TYR C . 17234 1 723 . 1 1 61 61 TYR CA C 13 58.87 0.177 . 1 . . . . 61 TYR CA . 17234 1 724 . 1 1 61 61 TYR CB C 13 39.05 0.1 . 1 . . . . 61 TYR CB . 17234 1 725 . 1 1 61 61 TYR N N 15 121.02 0.1 . 1 . . . . 61 TYR N . 17234 1 726 . 1 1 62 62 THR H H 1 8.626 0.02 . 1 . . . . 62 THR H . 17234 1 727 . 1 1 62 62 THR HA H 1 4.066 0.02 . 1 . . . . 62 THR HA . 17234 1 728 . 1 1 62 62 THR HB H 1 4.105 0.02 . 1 . . . . 62 THR HB . 17234 1 729 . 1 1 62 62 THR HG21 H 1 1.177 0.02 . 1 . . . . 62 THR HG2 . 17234 1 730 . 1 1 62 62 THR HG22 H 1 1.177 0.02 . 1 . . . . 62 THR HG2 . 17234 1 731 . 1 1 62 62 THR HG23 H 1 1.177 0.02 . 1 . . . . 62 THR HG2 . 17234 1 732 . 1 1 62 62 THR C C 13 175.10 0.1 . 1 . . . . 62 THR C . 17234 1 733 . 1 1 62 62 THR CA C 13 63.23 0.136 . 1 . . . . 62 THR CA . 17234 1 734 . 1 1 62 62 THR CB C 13 69.17 0.125 . 1 . . . . 62 THR CB . 17234 1 735 . 1 1 62 62 THR CG2 C 13 21.94 0.1 . 1 . . . . 62 THR CG2 . 17234 1 736 . 1 1 62 62 THR N N 15 117.23 0.1 . 1 . . . . 62 THR N . 17234 1 737 . 1 1 63 63 ALA H H 1 8.077 0.02 . 1 . . . . 63 ALA H . 17234 1 738 . 1 1 63 63 ALA HA H 1 4.175 0.02 . 1 . . . . 63 ALA HA . 17234 1 739 . 1 1 63 63 ALA HB1 H 1 1.357 0.02 . 1 . . . . 63 ALA HB . 17234 1 740 . 1 1 63 63 ALA HB2 H 1 1.357 0.02 . 1 . . . . 63 ALA HB . 17234 1 741 . 1 1 63 63 ALA HB3 H 1 1.357 0.02 . 1 . . . . 63 ALA HB . 17234 1 742 . 1 1 63 63 ALA C C 13 177.96 0.1 . 1 . . . . 63 ALA C . 17234 1 743 . 1 1 63 63 ALA CA C 13 53.42 0.1 . 1 . . . . 63 ALA CA . 17234 1 744 . 1 1 63 63 ALA CB C 13 19.11 0.114 . 1 . . . . 63 ALA CB . 17234 1 745 . 1 1 63 63 ALA N N 15 125.42 0.1 . 1 . . . . 63 ALA N . 17234 1 746 . 1 1 64 64 LEU H H 1 7.919 0.02 . 1 . . . . 64 LEU H . 17234 1 747 . 1 1 64 64 LEU HA H 1 4.287 0.02 . 1 . . . . 64 LEU HA . 17234 1 748 . 1 1 64 64 LEU HB2 H 1 1.620 0.02 . 2 . . . . 64 LEU HB2 . 17234 1 749 . 1 1 64 64 LEU HB3 H 1 1.620 0.02 . 2 . . . . 64 LEU HB3 . 17234 1 750 . 1 1 64 64 LEU HD11 H 1 0.828 0.02 . 2 . . . . 64 LEU HD1 . 17234 1 751 . 1 1 64 64 LEU HD12 H 1 0.828 0.02 . 2 . . . . 64 LEU HD1 . 17234 1 752 . 1 1 64 64 LEU HD13 H 1 0.828 0.02 . 2 . . . . 64 LEU HD1 . 17234 1 753 . 1 1 64 64 LEU HD21 H 1 0.870 0.02 . 2 . . . . 64 LEU HD2 . 17234 1 754 . 1 1 64 64 LEU HD22 H 1 0.870 0.02 . 2 . . . . 64 LEU HD2 . 17234 1 755 . 1 1 64 64 LEU HD23 H 1 0.870 0.02 . 2 . . . . 64 LEU HD2 . 17234 1 756 . 1 1 64 64 LEU HG H 1 1.588 0.02 . 1 . . . . 64 LEU HG . 17234 1 757 . 1 1 64 64 LEU C C 13 177.07 0.1 . 1 . . . . 64 LEU C . 17234 1 758 . 1 1 64 64 LEU CA C 13 55.43 0.250 . 1 . . . . 64 LEU CA . 17234 1 759 . 1 1 64 64 LEU CB C 13 42.28 0.1 . 1 . . . . 64 LEU CB . 17234 1 760 . 1 1 64 64 LEU CD1 C 13 24.14 0.1 . 1 . . . . 64 LEU CD1 . 17234 1 761 . 1 1 64 64 LEU CD2 C 13 25.45 0.127 . 1 . . . . 64 LEU CD2 . 17234 1 762 . 1 1 64 64 LEU CG C 13 27.13 0.1 . 1 . . . . 64 LEU CG . 17234 1 763 . 1 1 64 64 LEU N N 15 118.70 0.1 . 1 . . . . 64 LEU N . 17234 1 764 . 1 1 65 65 LEU H H 1 7.746 0.02 . 1 . . . . 65 LEU H . 17234 1 765 . 1 1 65 65 LEU HA H 1 4.339 0.02 . 1 . . . . 65 LEU HA . 17234 1 766 . 1 1 65 65 LEU HB2 H 1 1.620 0.02 . 2 . . . . 65 LEU HB2 . 17234 1 767 . 1 1 65 65 LEU HB3 H 1 1.620 0.02 . 2 . . . . 65 LEU HB3 . 17234 1 768 . 1 1 65 65 LEU HD11 H 1 0.810 0.02 . 2 . . . . 65 LEU HD1 . 17234 1 769 . 1 1 65 65 LEU HD12 H 1 0.810 0.02 . 2 . . . . 65 LEU HD1 . 17234 1 770 . 1 1 65 65 LEU HD13 H 1 0.810 0.02 . 2 . . . . 65 LEU HD1 . 17234 1 771 . 1 1 65 65 LEU HD21 H 1 0.873 0.02 . 2 . . . . 65 LEU HD2 . 17234 1 772 . 1 1 65 65 LEU HD22 H 1 0.873 0.02 . 2 . . . . 65 LEU HD2 . 17234 1 773 . 1 1 65 65 LEU HD23 H 1 0.873 0.02 . 2 . . . . 65 LEU HD2 . 17234 1 774 . 1 1 65 65 LEU HG H 1 1.559 0.02 . 1 . . . . 65 LEU HG . 17234 1 775 . 1 1 65 65 LEU C C 13 176.10 0.1 . 1 . . . . 65 LEU C . 17234 1 776 . 1 1 65 65 LEU CA C 13 54.89 0.123 . 1 . . . . 65 LEU CA . 17234 1 777 . 1 1 65 65 LEU CB C 13 42.44 0.1 . 1 . . . . 65 LEU CB . 17234 1 778 . 1 1 65 65 LEU CD1 C 13 23.44 0.1 . 1 . . . . 65 LEU CD1 . 17234 1 779 . 1 1 65 65 LEU CD2 C 13 25.53 0.1 . 1 . . . . 65 LEU CD2 . 17234 1 780 . 1 1 65 65 LEU CG C 13 26.93 0.1 . 1 . . . . 65 LEU CG . 17234 1 781 . 1 1 65 65 LEU N N 15 120.54 0.1 . 1 . . . . 65 LEU N . 17234 1 782 . 1 1 66 66 ASN H H 1 7.768 0.02 . 1 . . . . 66 ASN H . 17234 1 783 . 1 1 66 66 ASN HA H 1 4.476 0.02 . 1 . . . . 66 ASN HA . 17234 1 784 . 1 1 66 66 ASN HB2 H 1 2.628 0.02 . 2 . . . . 66 ASN HB2 . 17234 1 785 . 1 1 66 66 ASN HB3 H 1 2.780 0.02 . 2 . . . . 66 ASN HB3 . 17234 1 786 . 1 1 66 66 ASN CA C 13 54.81 0.118 . 1 . . . . 66 ASN CA . 17234 1 787 . 1 1 66 66 ASN CB C 13 40.81 0.1 . 1 . . . . 66 ASN CB . 17234 1 788 . 1 1 66 66 ASN N N 15 124.17 0.1 . 1 . . . . 66 ASN N . 17234 1 stop_ save_