data_7261 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7261 _Entry.Title ; Solution NMR structure of protein ykfF from Escherichia coli. Northeast Structural Genomics target ER397. (CASP Target) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-10 _Entry.Accession_date 2006-08-17 _Entry.Last_release_date 2007-04-24 _Entry.Original_release_date 2007-04-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 G. Swapna . V.T. . 7261 2 J. Aramini . M. . 7261 3 L. Zhao . . . 7261 4 K. Cunningham . . . 7261 5 H. Janjua . . . 7261 6 L.-C. Ma . . . 7261 7 R. Xiao . . . 7261 8 M. Baran . C. . 7261 9 T. Acton . B. . 7261 10 J. Liu . . . 7261 11 B. Rost . . . 7261 12 G. Montelione . T. . 7261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 7261 '15N chemical shifts' 95 7261 '1H chemical shifts' 568 7261 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-04-24 2006-08-10 original author . 7261 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HJJ 'BMRB Entry Tracking System' 7261 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7261 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of protein ykfF from Escherichia coli. Northeast Structural Genomics target ER397 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Swapna . V.T. . 7261 1 2 J. Aramini . M. . 7261 1 3 L. Zhao . . . 7261 1 4 K. Cunningham . . . 7261 1 5 H. Janjua . . . 7261 1 6 L.-C. Ma . . . 7261 1 7 R. Xiao . . . 7261 1 8 M. Baran . C. . 7261 1 9 T. Acton . B. . 7261 1 10 J. Liu . . . 7261 1 11 B. Rost . . . 7261 1 12 G. Montelione . T. . 7261 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ER397 7261 1 'NMR structure' 7261 1 'Northeast Structural Genomics Consortium (NESG)' 7261 1 'Protein Structure Initiative' 7261 1 PSI-2 7261 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ER397 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ER397 _Assembly.Entry_ID 7261 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein ykfF' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7261 1 stop_ 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 'Hypothetical protein ykfF' 1 $ER397 . . . native . . . . . 7261 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2HJJ . . . . . . 7261 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical protein ykfF' abbreviation 7261 1 'Hypothetical protein ykfF' system 7261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ER397 _Entity.Sf_category entity _Entity.Sf_framecode ER397 _Entity.Entry_ID 7261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical protein ykfF' _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 ; MTQSVLLPPGPFTRRQAQAV TTTYSNITLEDDQGSHFRLV VRDTEGRMVWRAWNFEPDAG EGLNRYIRTSGIRTDTATRL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-28 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 2HJJ . "Solution Nmr Structure Of Protein Ykff From Escherichia Coli. Northeast Structural Genomics Target Er397" . . . . . 100.00 87 100.00 100.00 9.53e-57 . . . . 7261 1 2 no DBJ BAA77918 . "hypothetical protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 3 no DBJ BAJ42093 . "CP4-6 prophage; hypothetical protein [Escherichia coli DH1]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 4 no EMBL CDJ70819 . "CP4-6 prophage protein [Escherichia coli str. K-12 substr. MC4100]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 5 no EMBL CDY55032 . "CP4-6 prophage; predicted protein [Escherichia coli]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 6 no EMBL CDZ19142 . "CP4-6 prophage; predicted protein [Escherichia coli]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 7 no EMBL CEE10794 . "UPF0401 protein ykfF [Escherichia coli]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 8 no GB AAC73352 . "CP4-6 prophage; uncharacterized protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 9 no GB ACB01416 . "CP4-6 prophage; predicted protein [Escherichia coli str. K-12 substr. DH10B]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 10 no GB ACR62646 . "CP4-6 prophage; predicted protein [Escherichia coli BW2952]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 11 no GB ACX40977 . "protein of unknown function DUF905 [Escherichia coli DH1]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 12 no GB AGX32420 . "CP4-6 prophage; putative protein [Escherichia coli C321.deltaA]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 13 no REF NP_414783 . "CP4-6 prophage; uncharacterized protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 14 no REF WP_000194654 . "MULTISPECIES: CP4-6 prophage; uncharacterized protein [Enterobacteriaceae]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 15 no REF WP_001489226 . "hypothetical protein [Escherichia coli]" . . . . . 90.80 79 98.73 98.73 3.18e-49 . . . . 7261 1 16 no REF WP_001490535 . "hypothetical protein [Escherichia coli]" . . . . . 90.80 79 98.73 98.73 3.18e-49 . . . . 7261 1 17 no REF WP_016239822 . "hypothetical protein [Escherichia coli]" . . . . . 90.80 79 98.73 98.73 2.61e-49 . . . . 7261 1 18 no SP P75677 . "RecName: Full=UPF0401 protein YkfF [Escherichia coli K-12]" . . . . . 90.80 79 100.00 100.00 4.01e-50 . . . . 7261 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical protein ykfF' abbreviation 7261 1 'Hypothetical protein ykfF' common 7261 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 . 7261 1 2 . THR . 7261 1 3 . GLN . 7261 1 4 . SER . 7261 1 5 . VAL . 7261 1 6 . LEU . 7261 1 7 . LEU . 7261 1 8 . PRO . 7261 1 9 . PRO . 7261 1 10 . GLY . 7261 1 11 . PRO . 7261 1 12 . PHE . 7261 1 13 . THR . 7261 1 14 . ARG . 7261 1 15 . ARG . 7261 1 16 . GLN . 7261 1 17 . ALA . 7261 1 18 . GLN . 7261 1 19 . ALA . 7261 1 20 . VAL . 7261 1 21 . THR . 7261 1 22 . THR . 7261 1 23 . THR . 7261 1 24 . TYR . 7261 1 25 . SER . 7261 1 26 . ASN . 7261 1 27 . ILE . 7261 1 28 . THR . 7261 1 29 . LEU . 7261 1 30 . GLU . 7261 1 31 . ASP . 7261 1 32 . ASP . 7261 1 33 . GLN . 7261 1 34 . GLY . 7261 1 35 . SER . 7261 1 36 . HIS . 7261 1 37 . PHE . 7261 1 38 . ARG . 7261 1 39 . LEU . 7261 1 40 . VAL . 7261 1 41 . VAL . 7261 1 42 . ARG . 7261 1 43 . ASP . 7261 1 44 . THR . 7261 1 45 . GLU . 7261 1 46 . GLY . 7261 1 47 . ARG . 7261 1 48 . MET . 7261 1 49 . VAL . 7261 1 50 . TRP . 7261 1 51 . ARG . 7261 1 52 . ALA . 7261 1 53 . TRP . 7261 1 54 . ASN . 7261 1 55 . PHE . 7261 1 56 . GLU . 7261 1 57 . PRO . 7261 1 58 . ASP . 7261 1 59 . ALA . 7261 1 60 . GLY . 7261 1 61 . GLU . 7261 1 62 . GLY . 7261 1 63 . LEU . 7261 1 64 . ASN . 7261 1 65 . ARG . 7261 1 66 . TYR . 7261 1 67 . ILE . 7261 1 68 . ARG . 7261 1 69 . THR . 7261 1 70 . SER . 7261 1 71 . GLY . 7261 1 72 . ILE . 7261 1 73 . ARG . 7261 1 74 . THR . 7261 1 75 . ASP . 7261 1 76 . THR . 7261 1 77 . ALA . 7261 1 78 . THR . 7261 1 79 . ARG . 7261 1 80 . LEU . 7261 1 81 . GLU . 7261 1 82 . HIS . 7261 1 83 . HIS . 7261 1 84 . HIS . 7261 1 85 . HIS . 7261 1 86 . HIS . 7261 1 87 . HIS . 7261 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 7261 1 . THR 2 2 7261 1 . GLN 3 3 7261 1 . SER 4 4 7261 1 . VAL 5 5 7261 1 . LEU 6 6 7261 1 . LEU 7 7 7261 1 . PRO 8 8 7261 1 . PRO 9 9 7261 1 . GLY 10 10 7261 1 . PRO 11 11 7261 1 . PHE 12 12 7261 1 . THR 13 13 7261 1 . ARG 14 14 7261 1 . ARG 15 15 7261 1 . GLN 16 16 7261 1 . ALA 17 17 7261 1 . GLN 18 18 7261 1 . ALA 19 19 7261 1 . VAL 20 20 7261 1 . THR 21 21 7261 1 . THR 22 22 7261 1 . THR 23 23 7261 1 . TYR 24 24 7261 1 . SER 25 25 7261 1 . ASN 26 26 7261 1 . ILE 27 27 7261 1 . THR 28 28 7261 1 . LEU 29 29 7261 1 . GLU 30 30 7261 1 . ASP 31 31 7261 1 . ASP 32 32 7261 1 . GLN 33 33 7261 1 . GLY 34 34 7261 1 . SER 35 35 7261 1 . HIS 36 36 7261 1 . PHE 37 37 7261 1 . ARG 38 38 7261 1 . LEU 39 39 7261 1 . VAL 40 40 7261 1 . VAL 41 41 7261 1 . ARG 42 42 7261 1 . ASP 43 43 7261 1 . THR 44 44 7261 1 . GLU 45 45 7261 1 . GLY 46 46 7261 1 . ARG 47 47 7261 1 . MET 48 48 7261 1 . VAL 49 49 7261 1 . TRP 50 50 7261 1 . ARG 51 51 7261 1 . ALA 52 52 7261 1 . TRP 53 53 7261 1 . ASN 54 54 7261 1 . PHE 55 55 7261 1 . GLU 56 56 7261 1 . PRO 57 57 7261 1 . ASP 58 58 7261 1 . ALA 59 59 7261 1 . GLY 60 60 7261 1 . GLU 61 61 7261 1 . GLY 62 62 7261 1 . LEU 63 63 7261 1 . ASN 64 64 7261 1 . ARG 65 65 7261 1 . TYR 66 66 7261 1 . ILE 67 67 7261 1 . ARG 68 68 7261 1 . THR 69 69 7261 1 . SER 70 70 7261 1 . GLY 71 71 7261 1 . ILE 72 72 7261 1 . ARG 73 73 7261 1 . THR 74 74 7261 1 . ASP 75 75 7261 1 . THR 76 76 7261 1 . ALA 77 77 7261 1 . THR 78 78 7261 1 . ARG 79 79 7261 1 . LEU 80 80 7261 1 . GLU 81 81 7261 1 . HIS 82 82 7261 1 . HIS 83 83 7261 1 . HIS 84 84 7261 1 . HIS 85 85 7261 1 . HIS 86 86 7261 1 . HIS 87 87 7261 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 7261 _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 $ER397 . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 7261 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 7261 _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 $ER397 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7261 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Hypothetical protein ykfF' '[U-13C; U-15N]' . . 1 $ER397 . . 0.95 . . mM . . . . 7261 1 2 CaCl2 . . . . . . . 5 . . mM . . . . 7261 1 3 NaCl . . . . . . . 100 . . mM . . . . 7261 1 4 NH4OAc . . . . . . . 20 . . mM . . . . 7261 1 5 DTT . . . . . . . 10 . . mM . . . . 7261 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 7261 1 7 D2O . . . . . . . 5 . . % . . . . 7261 1 8 H2O . . . . . . . 95 . . % . . . . 7261 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7261 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Hypothetical protein ykfF' '[U-13C; U-15N]' . . 1 $ER397 . . 0.95 . . mM . . . . 7261 2 2 CaCl2 . . . . . . . 5 . . mM . . . . 7261 2 3 NaCl . . . . . . . 100 . . mM . . . . 7261 2 4 NH4OAc . . . . . . . 20 . . mM . . . . 7261 2 5 DTT . . . . . . . 10 . . mM . . . . 7261 2 6 NaN3 . . . . . . . 0.02 . . % . . . . 7261 2 7 D2O . . . . . . . 100 . . % . . . . 7261 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7261 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Hypothetical protein ykfF' '[U-5% 13C; U-15N]' . . 1 $ER397 . . 0.95 . . mM . . . . 7261 3 2 CaCl2 . . . . . . . 5 . . mM . . . . 7261 3 3 NaCl . . . . . . . 100 . . mM . . . . 7261 3 4 NH4OAc . . . . . . . 20 . . mM . . . . 7261 3 5 DTT . . . . . . . 10 . . mM . . . . 7261 3 6 NaN3 . . . . . . . 0.02 . . % . . . . 7261 3 7 D2O . . . . . . . 5 . . % . . . . 7261 3 8 H2O . . . . . . . 95 . . % . . . . 7261 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7261 _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' 0.1 . M 7261 1 pH 5.5 . pH 7261 1 pressure 1 . atm 7261 1 temperature 293 . K 7261 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7261 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7261 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 7261 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7261 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 7261 _Software.ID 3 _Software.Name AutoAssign _Software.Version 2.1.1 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7261 3 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 7261 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.2 _Software.Details 'Clore et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7261 4 stop_ save_ save_AUTOSTRUCTURE _Software.Sf_category software _Software.Sf_framecode AUTOSTRUCTURE _Software.Entry_ID 7261 _Software.ID 5 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details 'Huang and Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7261 5 stop_ save_ save_AGNUS _Software.Sf_category software _Software.Sf_framecode AGNUS _Software.Entry_ID 7261 _Software.ID 6 _Software.Name AGNUS _Software.Version 2.0 _Software.Details 'Moseley and Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7261 6 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 7261 _Software.ID 7 _Software.Name PDBStat _Software.Version 4.1 _Software.Details 'Tejero and Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7261 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 7261 _Software.ID 8 _Software.Name PSVS _Software.Version 1.3 _Software.Details 'Bhattacharya, Hang, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7261 8 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7261 _Software.ID 9 _Software.Name CNS _Software.Version 1.1 _Software.Details 'Brunger et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7261 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 7261 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 7261 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7261 _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 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 7261 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 7261 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 7261 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7261 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7261 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7261 1 4 'high resolution CH-HSQC (stereospecific assignment of Val/Leu methyls)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7261 1 5 '3D GFT backbone expts' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7261 1 6 '3D HCCH-COSY and HCCH-TOCSYs' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7261 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7261 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7261 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7261 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7261 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'high resolution CH-HSQC (stereospecific assignment of Val/Leu methyls)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 7261 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D GFT backbone expts' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 7261 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HCCH-COSY and HCCH-TOCSYs' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7261 _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 0.0 . indirect 0.251449530 . . . . . . . . . 7261 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7261 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7261 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7261 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 7261 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 2 2 THR CA C 13 61.485 . . 1 . . . . . . . . 7261 1 2 . 1 1 2 2 THR CB C 13 69.45 . . 1 . . . . . . . . 7261 1 3 . 1 1 2 2 THR CG2 C 13 21.9 . . 1 . . . . . . . . 7261 1 4 . 1 1 2 2 THR HA H 1 3.87 . . 1 . . . . . . . . 7261 1 5 . 1 1 2 2 THR HB H 1 4.127 . . 1 . . . . . . . . 7261 1 6 . 1 1 2 2 THR HG21 H 1 1.28 . . 1 . . . . . . . . 7261 1 7 . 1 1 2 2 THR HG22 H 1 1.28 . . 1 . . . . . . . . 7261 1 8 . 1 1 2 2 THR HG23 H 1 1.28 . . 1 . . . . . . . . 7261 1 9 . 1 1 3 3 GLN N N 15 122.6 . . 1 . . . . . . . . 7261 1 10 . 1 1 3 3 GLN H H 1 8.42 . . 1 . . . . . . . . 7261 1 11 . 1 1 3 3 GLN HA H 1 4.456 . . 1 . . . . . . . . 7261 1 12 . 1 1 3 3 GLN HB2 H 1 1.988 . . 2 . . . . . . . . 7261 1 13 . 1 1 3 3 GLN HB3 H 1 2.096 . . 2 . . . . . . . . 7261 1 14 . 1 1 3 3 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 7261 1 15 . 1 1 3 3 GLN HG3 H 1 2.37 . . 1 . . . . . . . . 7261 1 16 . 1 1 3 3 GLN C C 13 175.62 . . 1 . . . . . . . . 7261 1 17 . 1 1 3 3 GLN CA C 13 55.8 . . 1 . . . . . . . . 7261 1 18 . 1 1 3 3 GLN CB C 13 29.9 . . 1 . . . . . . . . 7261 1 19 . 1 1 3 3 GLN CG C 13 33.6 . . 1 . . . . . . . . 7261 1 20 . 1 1 3 3 GLN NE2 N 15 112.6 . . 1 . . . . . . . . 7261 1 21 . 1 1 3 3 GLN HE21 H 1 7.58 . . 2 . . . . . . . . 7261 1 22 . 1 1 3 3 GLN HE22 H 1 6.899 . . 2 . . . . . . . . 7261 1 23 . 1 1 4 4 SER H H 1 8.563 . . 1 . . . . . . . . 7261 1 24 . 1 1 4 4 SER HA H 1 4.44 . . 1 . . . . . . . . 7261 1 25 . 1 1 4 4 SER HB2 H 1 3.73 . . 2 . . . . . . . . 7261 1 26 . 1 1 4 4 SER HB3 H 1 3.769 . . 2 . . . . . . . . 7261 1 27 . 1 1 4 4 SER C C 13 173.90 . . 1 . . . . . . . . 7261 1 28 . 1 1 4 4 SER CA C 13 58.5 . . 1 . . . . . . . . 7261 1 29 . 1 1 4 4 SER CB C 13 63.9 . . 1 . . . . . . . . 7261 1 30 . 1 1 4 4 SER N N 15 118.78 . . 1 . . . . . . . . 7261 1 31 . 1 1 5 5 VAL H H 1 8.085 . . 1 . . . . . . . . 7261 1 32 . 1 1 5 5 VAL HA H 1 4.129 . . 1 . . . . . . . . 7261 1 33 . 1 1 5 5 VAL HB H 1 2.07 . . 1 . . . . . . . . 7261 1 34 . 1 1 5 5 VAL HG11 H 1 0.86 . . 1 . . . . . . . . 7261 1 35 . 1 1 5 5 VAL HG12 H 1 0.86 . . 1 . . . . . . . . 7261 1 36 . 1 1 5 5 VAL HG13 H 1 0.86 . . 1 . . . . . . . . 7261 1 37 . 1 1 5 5 VAL HG21 H 1 0.937 . . 1 . . . . . . . . 7261 1 38 . 1 1 5 5 VAL HG22 H 1 0.937 . . 1 . . . . . . . . 7261 1 39 . 1 1 5 5 VAL HG23 H 1 0.937 . . 1 . . . . . . . . 7261 1 40 . 1 1 5 5 VAL C C 13 174.17 . . 1 . . . . . . . . 7261 1 41 . 1 1 5 5 VAL CA C 13 62.6 . . 1 . . . . . . . . 7261 1 42 . 1 1 5 5 VAL CB C 13 32.6 . . 1 . . . . . . . . 7261 1 43 . 1 1 5 5 VAL CG1 C 13 21.17 . . 1 . . . . . . . . 7261 1 44 . 1 1 5 5 VAL CG2 C 13 20.84 . . 1 . . . . . . . . 7261 1 45 . 1 1 5 5 VAL N N 15 123.47 . . 1 . . . . . . . . 7261 1 46 . 1 1 6 6 LEU H H 1 7.854 . . 1 . . . . . . . . 7261 1 47 . 1 1 6 6 LEU HA H 1 4.438 . . 1 . . . . . . . . 7261 1 48 . 1 1 6 6 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 7261 1 49 . 1 1 6 6 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 7261 1 50 . 1 1 6 6 LEU HG H 1 1.45 . . 1 . . . . . . . . 7261 1 51 . 1 1 6 6 LEU HD11 H 1 0.796 . . 1 . . . . . . . . 7261 1 52 . 1 1 6 6 LEU HD12 H 1 0.796 . . 1 . . . . . . . . 7261 1 53 . 1 1 6 6 LEU HD13 H 1 0.796 . . 1 . . . . . . . . 7261 1 54 . 1 1 6 6 LEU HD21 H 1 0.726 . . 1 . . . . . . . . 7261 1 55 . 1 1 6 6 LEU HD22 H 1 0.726 . . 1 . . . . . . . . 7261 1 56 . 1 1 6 6 LEU HD23 H 1 0.726 . . 1 . . . . . . . . 7261 1 57 . 1 1 6 6 LEU C C 13 177.15 . . 1 . . . . . . . . 7261 1 58 . 1 1 6 6 LEU CA C 13 53.7 . . 1 . . . . . . . . 7261 1 59 . 1 1 6 6 LEU CB C 13 44.3 . . 1 . . . . . . . . 7261 1 60 . 1 1 6 6 LEU CG C 13 26.8 . . 1 . . . . . . . . 7261 1 61 . 1 1 6 6 LEU CD1 C 13 25.78 . . 1 . . . . . . . . 7261 1 62 . 1 1 6 6 LEU CD2 C 13 22.97 . . 1 . . . . . . . . 7261 1 63 . 1 1 6 6 LEU N N 15 124.29 . . 1 . . . . . . . . 7261 1 64 . 1 1 7 7 LEU H H 1 9.020 . . 1 . . . . . . . . 7261 1 65 . 1 1 7 7 LEU HA H 1 4.447 . . 1 . . . . . . . . 7261 1 66 . 1 1 7 7 LEU HB2 H 1 1.293 . . 2 . . . . . . . . 7261 1 67 . 1 1 7 7 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 7261 1 68 . 1 1 7 7 LEU HG H 1 1.325 . . 1 . . . . . . . . 7261 1 69 . 1 1 7 7 LEU HD11 H 1 0.308 . . 1 . . . . . . . . 7261 1 70 . 1 1 7 7 LEU HD12 H 1 0.308 . . 1 . . . . . . . . 7261 1 71 . 1 1 7 7 LEU HD13 H 1 0.308 . . 1 . . . . . . . . 7261 1 72 . 1 1 7 7 LEU HD21 H 1 0.308 . . 1 . . . . . . . . 7261 1 73 . 1 1 7 7 LEU HD22 H 1 0.308 . . 1 . . . . . . . . 7261 1 74 . 1 1 7 7 LEU HD23 H 1 0.308 . . 1 . . . . . . . . 7261 1 75 . 1 1 7 7 LEU CA C 13 53.2 . . 1 . . . . . . . . 7261 1 76 . 1 1 7 7 LEU CB C 13 40.8 . . 1 . . . . . . . . 7261 1 77 . 1 1 7 7 LEU CG C 13 26.88 . . 1 . . . . . . . . 7261 1 78 . 1 1 7 7 LEU CD2 C 13 22.60 . . 1 . . . . . . . . 7261 1 79 . 1 1 7 7 LEU CD1 C 13 26.8 . . 1 . . . . . . . . 7261 1 80 . 1 1 7 7 LEU N N 15 123.05 . . 1 . . . . . . . . 7261 1 81 . 1 1 8 8 PRO CA C 13 62.4 . . 1 . . . . . . . . 7261 1 82 . 1 1 8 8 PRO CB C 13 30.6 . . 1 . . . . . . . . 7261 1 83 . 1 1 8 8 PRO CG C 13 27.29 . . 1 . . . . . . . . 7261 1 84 . 1 1 8 8 PRO CD C 13 49.5 . . 1 . . . . . . . . 7261 1 85 . 1 1 8 8 PRO HA H 1 4.712 . . 1 . . . . . . . . 7261 1 86 . 1 1 8 8 PRO HB2 H 1 2.37 . . 2 . . . . . . . . 7261 1 87 . 1 1 8 8 PRO HB3 H 1 2.18 . . 2 . . . . . . . . 7261 1 88 . 1 1 8 8 PRO HG2 H 1 2.225 . . 2 . . . . . . . . 7261 1 89 . 1 1 8 8 PRO HG3 H 1 2.172 . . 2 . . . . . . . . 7261 1 90 . 1 1 8 8 PRO HD2 H 1 3.469 . . 2 . . . . . . . . 7261 1 91 . 1 1 8 8 PRO HD3 H 1 3.654 . . 2 . . . . . . . . 7261 1 92 . 1 1 9 9 PRO CA C 13 64.0 . . 1 . . . . . . . . 7261 1 93 . 1 1 9 9 PRO CB C 13 31.93 . . 1 . . . . . . . . 7261 1 94 . 1 1 9 9 PRO CG C 13 27.75 . . 1 . . . . . . . . 7261 1 95 . 1 1 9 9 PRO CD C 13 49.4 . . 1 . . . . . . . . 7261 1 96 . 1 1 9 9 PRO HA H 1 4.22 . . 1 . . . . . . . . 7261 1 97 . 1 1 9 9 PRO HB2 H 1 2.30 . . 2 . . . . . . . . 7261 1 98 . 1 1 9 9 PRO HB3 H 1 2.02 . . 2 . . . . . . . . 7261 1 99 . 1 1 9 9 PRO HG2 H 1 2.03 . . 1 . . . . . . . . 7261 1 100 . 1 1 9 9 PRO HG3 H 1 2.03 . . 1 . . . . . . . . 7261 1 101 . 1 1 9 9 PRO HD2 H 1 3.66 . . 2 . . . . . . . . 7261 1 102 . 1 1 9 9 PRO HD3 H 1 3.701 . . 2 . . . . . . . . 7261 1 103 . 1 1 10 10 GLY N N 15 109.35 . . 1 . . . . . . . . 7261 1 104 . 1 1 10 10 GLY H H 1 7.92 . . 1 . . . . . . . . 7261 1 105 . 1 1 10 10 GLY CA C 13 43.6 . . 1 . . . . . . . . 7261 1 106 . 1 1 10 10 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 7261 1 107 . 1 1 10 10 GLY HA3 H 1 4.677 . . 2 . . . . . . . . 7261 1 108 . 1 1 11 11 PRO HA H 1 4.68 . . 1 . . . . . . . . 7261 1 109 . 1 1 11 11 PRO HB2 H 1 1.858 . . 2 . . . . . . . . 7261 1 110 . 1 1 11 11 PRO HB3 H 1 2.32 . . 2 . . . . . . . . 7261 1 111 . 1 1 11 11 PRO HG2 H 1 1.86 . . 2 . . . . . . . . 7261 1 112 . 1 1 11 11 PRO HG3 H 1 1.944 . . 2 . . . . . . . . 7261 1 113 . 1 1 11 11 PRO HD2 H 1 3.74 . . 1 . . . . . . . . 7261 1 114 . 1 1 11 11 PRO HD3 H 1 3.74 . . 1 . . . . . . . . 7261 1 115 . 1 1 11 11 PRO C C 13 176.56 . . 1 . . . . . . . . 7261 1 116 . 1 1 11 11 PRO CA C 13 63.1 . . 1 . . . . . . . . 7261 1 117 . 1 1 11 11 PRO CB C 13 33.6 . . 1 . . . . . . . . 7261 1 118 . 1 1 11 11 PRO CG C 13 27.23 . . 1 . . . . . . . . 7261 1 119 . 1 1 11 11 PRO CD C 13 50.83 . . 1 . . . . . . . . 7261 1 120 . 1 1 12 12 PHE H H 1 8.163 . . 1 . . . . . . . . 7261 1 121 . 1 1 12 12 PHE HA H 1 5.668 . . 1 . . . . . . . . 7261 1 122 . 1 1 12 12 PHE HB2 H 1 3.445 . . 2 . . . . . . . . 7261 1 123 . 1 1 12 12 PHE HB3 H 1 3.051 . . 2 . . . . . . . . 7261 1 124 . 1 1 12 12 PHE C C 13 175.42 . . 1 . . . . . . . . 7261 1 125 . 1 1 12 12 PHE CA C 13 54.5 . . 1 . . . . . . . . 7261 1 126 . 1 1 12 12 PHE CB C 13 42.7 . . 1 . . . . . . . . 7261 1 127 . 1 1 12 12 PHE N N 15 114.37 . . 1 . . . . . . . . 7261 1 128 . 1 1 12 12 PHE CD1 C 13 133.2 . . 1 . . . . . . . . 7261 1 129 . 1 1 12 12 PHE CD2 C 13 133.2 . . 1 . . . . . . . . 7261 1 130 . 1 1 12 12 PHE CE1 C 13 131.1 . . 1 . . . . . . . . 7261 1 131 . 1 1 12 12 PHE CE2 C 13 131.1 . . 1 . . . . . . . . 7261 1 132 . 1 1 12 12 PHE CZ C 13 128.7 . . 1 . . . . . . . . 7261 1 133 . 1 1 12 12 PHE HD1 H 1 7.40 . . 1 . . . . . . . . 7261 1 134 . 1 1 12 12 PHE HD2 H 1 7.40 . . 1 . . . . . . . . 7261 1 135 . 1 1 12 12 PHE HE1 H 1 7.14 . . 1 . . . . . . . . 7261 1 136 . 1 1 12 12 PHE HE2 H 1 7.14 . . 1 . . . . . . . . 7261 1 137 . 1 1 12 12 PHE HZ H 1 6.97 . . 1 . . . . . . . . 7261 1 138 . 1 1 13 13 THR H H 1 9.142 . . 1 . . . . . . . . 7261 1 139 . 1 1 13 13 THR HA H 1 4.915 . . 1 . . . . . . . . 7261 1 140 . 1 1 13 13 THR HB H 1 4.94 . . 1 . . . . . . . . 7261 1 141 . 1 1 13 13 THR HG21 H 1 1.36 . . 1 . . . . . . . . 7261 1 142 . 1 1 13 13 THR HG22 H 1 1.36 . . 1 . . . . . . . . 7261 1 143 . 1 1 13 13 THR HG23 H 1 1.36 . . 1 . . . . . . . . 7261 1 144 . 1 1 13 13 THR C C 13 176.54 . . 1 . . . . . . . . 7261 1 145 . 1 1 13 13 THR CA C 13 59.9 . . 1 . . . . . . . . 7261 1 146 . 1 1 13 13 THR CB C 13 72.5 . . 1 . . . . . . . . 7261 1 147 . 1 1 13 13 THR CG2 C 13 21.59 . . 1 . . . . . . . . 7261 1 148 . 1 1 13 13 THR N N 15 110.74 . . 1 . . . . . . . . 7261 1 149 . 1 1 14 14 ARG H H 1 9.339 . . 1 . . . . . . . . 7261 1 150 . 1 1 14 14 ARG HA H 1 3.983 . . 1 . . . . . . . . 7261 1 151 . 1 1 14 14 ARG HB2 H 1 1.968 . . 2 . . . . . . . . 7261 1 152 . 1 1 14 14 ARG HB3 H 1 1.82 . . 2 . . . . . . . . 7261 1 153 . 1 1 14 14 ARG HG2 H 1 1.318 . . 2 . . . . . . . . 7261 1 154 . 1 1 14 14 ARG HG3 H 1 1.06 . . 2 . . . . . . . . 7261 1 155 . 1 1 14 14 ARG HD2 H 1 2.922 . . 2 . . . . . . . . 7261 1 156 . 1 1 14 14 ARG HD3 H 1 3.115 . . 2 . . . . . . . . 7261 1 157 . 1 1 14 14 ARG C C 13 178.13 . . 1 . . . . . . . . 7261 1 158 . 1 1 14 14 ARG CA C 13 60.3 . . 1 . . . . . . . . 7261 1 159 . 1 1 14 14 ARG CB C 13 30.3 . . 1 . . . . . . . . 7261 1 160 . 1 1 14 14 ARG CG C 13 27.84 . . 1 . . . . . . . . 7261 1 161 . 1 1 14 14 ARG CD C 13 42.5 . . 1 . . . . . . . . 7261 1 162 . 1 1 14 14 ARG N N 15 122.28 . . 1 . . . . . . . . 7261 1 163 . 1 1 14 14 ARG NE N 15 81.24 . . 1 . . . . . . . . 7261 1 164 . 1 1 14 14 ARG HE H 1 7.21 . . 1 . . . . . . . . 7261 1 165 . 1 1 15 15 ARG H H 1 8.546 . . 1 . . . . . . . . 7261 1 166 . 1 1 15 15 ARG HA H 1 4.145 . . 1 . . . . . . . . 7261 1 167 . 1 1 15 15 ARG HB2 H 1 1.808 . . 2 . . . . . . . . 7261 1 168 . 1 1 15 15 ARG HB3 H 1 1.917 . . 2 . . . . . . . . 7261 1 169 . 1 1 15 15 ARG HG2 H 1 1.742 . . 2 . . . . . . . . 7261 1 170 . 1 1 15 15 ARG HG3 H 1 1.684 . . 2 . . . . . . . . 7261 1 171 . 1 1 15 15 ARG HD2 H 1 3.240 . . 2 . . . . . . . . 7261 1 172 . 1 1 15 15 ARG HD3 H 1 3.24 . . 2 . . . . . . . . 7261 1 173 . 1 1 15 15 ARG C C 13 180.02 . . 1 . . . . . . . . 7261 1 174 . 1 1 15 15 ARG CA C 13 59.4 . . 1 . . . . . . . . 7261 1 175 . 1 1 15 15 ARG CB C 13 29.9 . . 1 . . . . . . . . 7261 1 176 . 1 1 15 15 ARG CG C 13 27.46 . . 1 . . . . . . . . 7261 1 177 . 1 1 15 15 ARG CD C 13 43.24 . . 1 . . . . . . . . 7261 1 178 . 1 1 15 15 ARG N N 15 119.04 . . 1 . . . . . . . . 7261 1 179 . 1 1 15 15 ARG NE N 15 81.18 . . 1 . . . . . . . . 7261 1 180 . 1 1 15 15 ARG HE H 1 7.25 . . 1 . . . . . . . . 7261 1 181 . 1 1 16 16 GLN H H 1 7.747 . . 1 . . . . . . . . 7261 1 182 . 1 1 16 16 GLN HA H 1 4.096 . . 1 . . . . . . . . 7261 1 183 . 1 1 16 16 GLN HB2 H 1 2.632 . . 2 . . . . . . . . 7261 1 184 . 1 1 16 16 GLN HB3 H 1 1.932 . . 2 . . . . . . . . 7261 1 185 . 1 1 16 16 GLN HG2 H 1 2.482 . . 2 . . . . . . . . 7261 1 186 . 1 1 16 16 GLN HG3 H 1 2.589 . . 2 . . . . . . . . 7261 1 187 . 1 1 16 16 GLN C C 13 179.02 . . 1 . . . . . . . . 7261 1 188 . 1 1 16 16 GLN CA C 13 58.8 . . 1 . . . . . . . . 7261 1 189 . 1 1 16 16 GLN CB C 13 28.1 . . 1 . . . . . . . . 7261 1 190 . 1 1 16 16 GLN CG C 13 34.67 . . 1 . . . . . . . . 7261 1 191 . 1 1 16 16 GLN N N 15 119.29 . . 1 . . . . . . . . 7261 1 192 . 1 1 16 16 GLN NE2 N 15 109.8 . . 1 . . . . . . . . 7261 1 193 . 1 1 16 16 GLN HE21 H 1 7.556 . . 2 . . . . . . . . 7261 1 194 . 1 1 16 16 GLN HE22 H 1 6.90 . . 2 . . . . . . . . 7261 1 195 . 1 1 17 17 ALA H H 1 8.733 . . 1 . . . . . . . . 7261 1 196 . 1 1 17 17 ALA HA H 1 3.95 . . 1 . . . . . . . . 7261 1 197 . 1 1 17 17 ALA HB1 H 1 1.849 . . 1 . . . . . . . . 7261 1 198 . 1 1 17 17 ALA HB2 H 1 1.849 . . 1 . . . . . . . . 7261 1 199 . 1 1 17 17 ALA HB3 H 1 1.849 . . 1 . . . . . . . . 7261 1 200 . 1 1 17 17 ALA C C 13 179.16 . . 1 . . . . . . . . 7261 1 201 . 1 1 17 17 ALA CA C 13 55.0 . . 1 . . . . . . . . 7261 1 202 . 1 1 17 17 ALA CB C 13 20.0 . . 1 . . . . . . . . 7261 1 203 . 1 1 17 17 ALA N N 15 121.18 . . 1 . . . . . . . . 7261 1 204 . 1 1 18 18 GLN H H 1 8.588 . . 1 . . . . . . . . 7261 1 205 . 1 1 18 18 GLN HA H 1 4.373 . . 1 . . . . . . . . 7261 1 206 . 1 1 18 18 GLN HB2 H 1 2.05 . . 2 . . . . . . . . 7261 1 207 . 1 1 18 18 GLN HB3 H 1 2.20 . . 2 . . . . . . . . 7261 1 208 . 1 1 18 18 GLN HG2 H 1 2.30 . . 2 . . . . . . . . 7261 1 209 . 1 1 18 18 GLN HG3 H 1 2.45 . . 2 . . . . . . . . 7261 1 210 . 1 1 18 18 GLN C C 13 178.63 . . 1 . . . . . . . . 7261 1 211 . 1 1 18 18 GLN CA C 13 58.0 . . 1 . . . . . . . . 7261 1 212 . 1 1 18 18 GLN CB C 13 28.1 . . 1 . . . . . . . . 7261 1 213 . 1 1 18 18 GLN CG C 13 34.4 . . 1 . . . . . . . . 7261 1 214 . 1 1 18 18 GLN NE2 N 15 111.0 . . 1 . . . . . . . . 7261 1 215 . 1 1 18 18 GLN HE21 H 1 7.35 . . 2 . . . . . . . . 7261 1 216 . 1 1 18 18 GLN HE22 H 1 6.77 . . 2 . . . . . . . . 7261 1 217 . 1 1 18 18 GLN N N 15 117.53 . . 1 . . . . . . . . 7261 1 218 . 1 1 19 19 ALA H H 1 7.480 . . 1 . . . . . . . . 7261 1 219 . 1 1 19 19 ALA HA H 1 4.149 . . 1 . . . . . . . . 7261 1 220 . 1 1 19 19 ALA HB1 H 1 1.520 . . 1 . . . . . . . . 7261 1 221 . 1 1 19 19 ALA HB2 H 1 1.520 . . 1 . . . . . . . . 7261 1 222 . 1 1 19 19 ALA HB3 H 1 1.520 . . 1 . . . . . . . . 7261 1 223 . 1 1 19 19 ALA C C 13 179.52 . . 1 . . . . . . . . 7261 1 224 . 1 1 19 19 ALA CA C 13 55.2 . . 1 . . . . . . . . 7261 1 225 . 1 1 19 19 ALA CB C 13 17.9 . . 1 . . . . . . . . 7261 1 226 . 1 1 19 19 ALA N N 15 122.07 . . 1 . . . . . . . . 7261 1 227 . 1 1 20 20 VAL H H 1 7.324 . . 1 . . . . . . . . 7261 1 228 . 1 1 20 20 VAL HA H 1 3.82 . . 1 . . . . . . . . 7261 1 229 . 1 1 20 20 VAL HB H 1 2.428 . . 1 . . . . . . . . 7261 1 230 . 1 1 20 20 VAL HG11 H 1 0.962 . . 1 . . . . . . . . 7261 1 231 . 1 1 20 20 VAL HG12 H 1 0.962 . . 1 . . . . . . . . 7261 1 232 . 1 1 20 20 VAL HG13 H 1 0.962 . . 1 . . . . . . . . 7261 1 233 . 1 1 20 20 VAL HG21 H 1 0.962 . . 1 . . . . . . . . 7261 1 234 . 1 1 20 20 VAL HG22 H 1 0.962 . . 1 . . . . . . . . 7261 1 235 . 1 1 20 20 VAL HG23 H 1 0.962 . . 1 . . . . . . . . 7261 1 236 . 1 1 20 20 VAL C C 13 178.32 . . 1 . . . . . . . . 7261 1 237 . 1 1 20 20 VAL CA C 13 66.6 . . 1 . . . . . . . . 7261 1 238 . 1 1 20 20 VAL CB C 13 32.2 . . 1 . . . . . . . . 7261 1 239 . 1 1 20 20 VAL CG1 C 13 22.89 . . 2 . . . . . . . . 7261 1 240 . 1 1 20 20 VAL CG2 C 13 22.892 . . 2 . . . . . . . . 7261 1 241 . 1 1 20 20 VAL N N 15 117.45 . . 1 . . . . . . . . 7261 1 242 . 1 1 21 21 THR H H 1 8.759 . . 1 . . . . . . . . 7261 1 243 . 1 1 21 21 THR HA H 1 4.345 . . 1 . . . . . . . . 7261 1 244 . 1 1 21 21 THR HB H 1 4.52 . . 1 . . . . . . . . 7261 1 245 . 1 1 21 21 THR HG21 H 1 1.198 . . 1 . . . . . . . . 7261 1 246 . 1 1 21 21 THR HG22 H 1 1.198 . . 1 . . . . . . . . 7261 1 247 . 1 1 21 21 THR HG23 H 1 1.198 . . 1 . . . . . . . . 7261 1 248 . 1 1 21 21 THR C C 13 176.84 . . 1 . . . . . . . . 7261 1 249 . 1 1 21 21 THR CA C 13 65.1 . . 1 . . . . . . . . 7261 1 250 . 1 1 21 21 THR CB C 13 68.2 . . 1 . . . . . . . . 7261 1 251 . 1 1 21 21 THR CG2 C 13 22.3 . . 1 . . . . . . . . 7261 1 252 . 1 1 21 21 THR N N 15 112.17 . . 1 . . . . . . . . 7261 1 253 . 1 1 22 22 THR H H 1 7.785 . . 1 . . . . . . . . 7261 1 254 . 1 1 22 22 THR HA H 1 4.227 . . 1 . . . . . . . . 7261 1 255 . 1 1 22 22 THR HB H 1 4.297 . . 1 . . . . . . . . 7261 1 256 . 1 1 22 22 THR HG21 H 1 1.269 . . 1 . . . . . . . . 7261 1 257 . 1 1 22 22 THR HG22 H 1 1.269 . . 1 . . . . . . . . 7261 1 258 . 1 1 22 22 THR HG23 H 1 1.269 . . 1 . . . . . . . . 7261 1 259 . 1 1 22 22 THR C C 13 175.29 . . 1 . . . . . . . . 7261 1 260 . 1 1 22 22 THR CA C 13 64.3 . . 1 . . . . . . . . 7261 1 261 . 1 1 22 22 THR CB C 13 69.5 . . 1 . . . . . . . . 7261 1 262 . 1 1 22 22 THR CG2 C 13 21.58 . . 1 . . . . . . . . 7261 1 263 . 1 1 22 22 THR N N 15 112.49 . . 1 . . . . . . . . 7261 1 264 . 1 1 23 23 THR H H 1 7.359 . . 1 . . . . . . . . 7261 1 265 . 1 1 23 23 THR HA H 1 3.956 . . 1 . . . . . . . . 7261 1 266 . 1 1 23 23 THR HB H 1 3.817 . . 1 . . . . . . . . 7261 1 267 . 1 1 23 23 THR HG21 H 1 0.526 . . 1 . . . . . . . . 7261 1 268 . 1 1 23 23 THR HG22 H 1 0.526 . . 1 . . . . . . . . 7261 1 269 . 1 1 23 23 THR HG23 H 1 0.526 . . 1 . . . . . . . . 7261 1 270 . 1 1 23 23 THR C C 13 173.43 . . 1 . . . . . . . . 7261 1 271 . 1 1 23 23 THR CA C 13 65.2 . . 1 . . . . . . . . 7261 1 272 . 1 1 23 23 THR CB C 13 69.98 . . 1 . . . . . . . . 7261 1 273 . 1 1 23 23 THR CG2 C 13 20.93 . . 1 . . . . . . . . 7261 1 274 . 1 1 23 23 THR N N 15 117.70 . . 1 . . . . . . . . 7261 1 275 . 1 1 24 24 TYR H H 1 8.02 . . 1 . . . . . . . . 7261 1 276 . 1 1 24 24 TYR HA H 1 5.28 . . 1 . . . . . . . . 7261 1 277 . 1 1 24 24 TYR HB2 H 1 3.137 . . 2 . . . . . . . . 7261 1 278 . 1 1 24 24 TYR HB3 H 1 2.72 . . 2 . . . . . . . . 7261 1 279 . 1 1 24 24 TYR C C 13 175.48 . . 1 . . . . . . . . 7261 1 280 . 1 1 24 24 TYR CA C 13 57.0 . . 1 . . . . . . . . 7261 1 281 . 1 1 24 24 TYR CB C 13 40.1 . . 1 . . . . . . . . 7261 1 282 . 1 1 24 24 TYR N N 15 120.81 . . 1 . . . . . . . . 7261 1 283 . 1 1 24 24 TYR CD1 C 13 133.35 . . 1 . . . . . . . . 7261 1 284 . 1 1 24 24 TYR CD2 C 13 133.35 . . 1 . . . . . . . . 7261 1 285 . 1 1 24 24 TYR CE1 C 13 118.13 . . 1 . . . . . . . . 7261 1 286 . 1 1 24 24 TYR CE2 C 13 118.13 . . 1 . . . . . . . . 7261 1 287 . 1 1 24 24 TYR HD1 H 1 7.20 . . 1 . . . . . . . . 7261 1 288 . 1 1 24 24 TYR HD2 H 1 7.20 . . 1 . . . . . . . . 7261 1 289 . 1 1 24 24 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 7261 1 290 . 1 1 24 24 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 7261 1 291 . 1 1 25 25 SER H H 1 8.835 . . 1 . . . . . . . . 7261 1 292 . 1 1 25 25 SER HA H 1 4.44 . . 1 . . . . . . . . 7261 1 293 . 1 1 25 25 SER HB2 H 1 3.99 . . 2 . . . . . . . . 7261 1 294 . 1 1 25 25 SER HB3 H 1 3.85 . . 2 . . . . . . . . 7261 1 295 . 1 1 25 25 SER C C 13 175.14 . . 1 . . . . . . . . 7261 1 296 . 1 1 25 25 SER CA C 13 59.4 . . 1 . . . . . . . . 7261 1 297 . 1 1 25 25 SER CB C 13 63.9 . . 1 . . . . . . . . 7261 1 298 . 1 1 25 25 SER N N 15 115.18 . . 1 . . . . . . . . 7261 1 299 . 1 1 26 26 ASN H H 1 8.906 . . 1 . . . . . . . . 7261 1 300 . 1 1 26 26 ASN HA H 1 4.87 . . 1 . . . . . . . . 7261 1 301 . 1 1 26 26 ASN HB2 H 1 3.607 . . 2 . . . . . . . . 7261 1 302 . 1 1 26 26 ASN HB3 H 1 2.564 . . 2 . . . . . . . . 7261 1 303 . 1 1 26 26 ASN C C 13 173.69 . . 1 . . . . . . . . 7261 1 304 . 1 1 26 26 ASN CA C 13 52.9 . . 1 . . . . . . . . 7261 1 305 . 1 1 26 26 ASN CB C 13 36.8 . . 1 . . . . . . . . 7261 1 306 . 1 1 26 26 ASN N N 15 117.10 . . 1 . . . . . . . . 7261 1 307 . 1 1 26 26 ASN ND2 N 15 112.9 . . 1 . . . . . . . . 7261 1 308 . 1 1 26 26 ASN HD21 H 1 7.899 . . 2 . . . . . . . . 7261 1 309 . 1 1 26 26 ASN HD22 H 1 7.22 . . 2 . . . . . . . . 7261 1 310 . 1 1 27 27 ILE H H 1 7.368 . . 1 . . . . . . . . 7261 1 311 . 1 1 27 27 ILE HA H 1 5.365 . . 1 . . . . . . . . 7261 1 312 . 1 1 27 27 ILE HB H 1 1.65 . . 1 . . . . . . . . 7261 1 313 . 1 1 27 27 ILE HG21 H 1 0.688 . . 1 . . . . . . . . 7261 1 314 . 1 1 27 27 ILE HG22 H 1 0.688 . . 1 . . . . . . . . 7261 1 315 . 1 1 27 27 ILE HG23 H 1 0.688 . . 1 . . . . . . . . 7261 1 316 . 1 1 27 27 ILE HG12 H 1 0.875 . . 2 . . . . . . . . 7261 1 317 . 1 1 27 27 ILE HG13 H 1 1.533 . . 2 . . . . . . . . 7261 1 318 . 1 1 27 27 ILE HD11 H 1 0.453 . . 1 . . . . . . . . 7261 1 319 . 1 1 27 27 ILE HD12 H 1 0.453 . . 1 . . . . . . . . 7261 1 320 . 1 1 27 27 ILE HD13 H 1 0.453 . . 1 . . . . . . . . 7261 1 321 . 1 1 27 27 ILE C C 13 174.80 . . 1 . . . . . . . . 7261 1 322 . 1 1 27 27 ILE CA C 13 60.2 . . 1 . . . . . . . . 7261 1 323 . 1 1 27 27 ILE CB C 13 38.7 . . 1 . . . . . . . . 7261 1 324 . 1 1 27 27 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 7261 1 325 . 1 1 27 27 ILE CG2 C 13 17.38 . . 1 . . . . . . . . 7261 1 326 . 1 1 27 27 ILE CD1 C 13 14.31 . . 1 . . . . . . . . 7261 1 327 . 1 1 27 27 ILE N N 15 120.93 . . 1 . . . . . . . . 7261 1 328 . 1 1 28 28 THR H H 1 8.956 . . 1 . . . . . . . . 7261 1 329 . 1 1 28 28 THR HA H 1 4.704 . . 1 . . . . . . . . 7261 1 330 . 1 1 28 28 THR HB H 1 4.14 . . 1 . . . . . . . . 7261 1 331 . 1 1 28 28 THR HG21 H 1 1.120 . . 1 . . . . . . . . 7261 1 332 . 1 1 28 28 THR HG22 H 1 1.120 . . 1 . . . . . . . . 7261 1 333 . 1 1 28 28 THR HG23 H 1 1.120 . . 1 . . . . . . . . 7261 1 334 . 1 1 28 28 THR CA C 13 58.8 . . 1 . . . . . . . . 7261 1 335 . 1 1 28 28 THR CB C 13 71.2 . . 1 . . . . . . . . 7261 1 336 . 1 1 28 28 THR CG2 C 13 23.72 . . 1 . . . . . . . . 7261 1 337 . 1 1 28 28 THR N N 15 116.34 . . 1 . . . . . . . . 7261 1 338 . 1 1 29 29 LEU H H 1 8.648 . . 1 . . . . . . . . 7261 1 339 . 1 1 29 29 LEU HA H 1 5.197 . . 1 . . . . . . . . 7261 1 340 . 1 1 29 29 LEU HB2 H 1 1.728 . . 2 . . . . . . . . 7261 1 341 . 1 1 29 29 LEU HB3 H 1 1.42 . . 2 . . . . . . . . 7261 1 342 . 1 1 29 29 LEU HG H 1 1.643 . . 1 . . . . . . . . 7261 1 343 . 1 1 29 29 LEU HD21 H 1 0.632 . . 1 . . . . . . . . 7261 1 344 . 1 1 29 29 LEU HD22 H 1 0.632 . . 1 . . . . . . . . 7261 1 345 . 1 1 29 29 LEU HD23 H 1 0.632 . . 1 . . . . . . . . 7261 1 346 . 1 1 29 29 LEU HD11 H 1 0.311 . . 1 . . . . . . . . 7261 1 347 . 1 1 29 29 LEU HD12 H 1 0.311 . . 1 . . . . . . . . 7261 1 348 . 1 1 29 29 LEU HD13 H 1 0.311 . . 1 . . . . . . . . 7261 1 349 . 1 1 29 29 LEU C C 13 176.71 . . 1 . . . . . . . . 7261 1 350 . 1 1 29 29 LEU CA C 13 55.5 . . 1 . . . . . . . . 7261 1 351 . 1 1 29 29 LEU CB C 13 43.2 . . 1 . . . . . . . . 7261 1 352 . 1 1 29 29 LEU CG C 13 29.14 . . 1 . . . . . . . . 7261 1 353 . 1 1 29 29 LEU CD2 C 13 24.3 . . 1 . . . . . . . . 7261 1 354 . 1 1 29 29 LEU CD1 C 13 26.38 . . 1 . . . . . . . . 7261 1 355 . 1 1 29 29 LEU N N 15 125.23 . . 1 . . . . . . . . 7261 1 356 . 1 1 30 30 GLU H H 1 9.198 . . 1 . . . . . . . . 7261 1 357 . 1 1 30 30 GLU C C 13 173.64 . . 1 . . . . . . . . 7261 1 358 . 1 1 30 30 GLU HA H 1 4.73 . . 1 . . . . . . . . 7261 1 359 . 1 1 30 30 GLU HB2 H 1 1.35 . . 2 . . . . . . . . 7261 1 360 . 1 1 30 30 GLU HB3 H 1 2.022 . . 2 . . . . . . . . 7261 1 361 . 1 1 30 30 GLU HG2 H 1 2.022 . . 2 . . . . . . . . 7261 1 362 . 1 1 30 30 GLU HG3 H 1 2.199 . . 2 . . . . . . . . 7261 1 363 . 1 1 30 30 GLU CA C 13 54.2 . . 1 . . . . . . . . 7261 1 364 . 1 1 30 30 GLU CB C 13 33.8 . . 1 . . . . . . . . 7261 1 365 . 1 1 30 30 GLU CG C 13 36.1 . . 1 . . . . . . . . 7261 1 366 . 1 1 30 30 GLU N N 15 126.66 . . 1 . . . . . . . . 7261 1 367 . 1 1 31 31 ASP H H 1 8.80 . . 1 . . . . . . . . 7261 1 368 . 1 1 31 31 ASP HA H 1 4.181 . . 1 . . . . . . . . 7261 1 369 . 1 1 31 31 ASP HB2 H 1 2.898 . . 2 . . . . . . . . 7261 1 370 . 1 1 31 31 ASP HB3 H 1 2.424 . . 2 . . . . . . . . 7261 1 371 . 1 1 31 31 ASP C C 13 174.97 . . 1 . . . . . . . . 7261 1 372 . 1 1 31 31 ASP CA C 13 55.4 . . 1 . . . . . . . . 7261 1 373 . 1 1 31 31 ASP CB C 13 40.9 . . 1 . . . . . . . . 7261 1 374 . 1 1 31 31 ASP N N 15 117.86 . . 1 . . . . . . . . 7261 1 375 . 1 1 32 32 ASP H H 1 8.16 . . 1 . . . . . . . . 7261 1 376 . 1 1 32 32 ASP HA H 1 4.608 . . 1 . . . . . . . . 7261 1 377 . 1 1 32 32 ASP HB2 H 1 3.03 . . 2 . . . . . . . . 7261 1 378 . 1 1 32 32 ASP HB3 H 1 2.296 . . 2 . . . . . . . . 7261 1 379 . 1 1 32 32 ASP C C 13 177.63 . . 1 . . . . . . . . 7261 1 380 . 1 1 32 32 ASP CA C 13 55.5 . . 1 . . . . . . . . 7261 1 381 . 1 1 32 32 ASP CB C 13 40.5 . . 1 . . . . . . . . 7261 1 382 . 1 1 32 32 ASP N N 15 113.51 . . 1 . . . . . . . . 7261 1 383 . 1 1 33 33 GLN H H 1 9.148 . . 1 . . . . . . . . 7261 1 384 . 1 1 33 33 GLN HA H 1 4.68 . . 1 . . . . . . . . 7261 1 385 . 1 1 33 33 GLN HB2 H 1 2.45 . . 2 . . . . . . . . 7261 1 386 . 1 1 33 33 GLN HB3 H 1 1.873 . . 2 . . . . . . . . 7261 1 387 . 1 1 33 33 GLN HG2 H 1 2.469 . . 2 . . . . . . . . 7261 1 388 . 1 1 33 33 GLN HG3 H 1 2.594 . . 2 . . . . . . . . 7261 1 389 . 1 1 33 33 GLN C C 13 177.11 . . 1 . . . . . . . . 7261 1 390 . 1 1 33 33 GLN CA C 13 54.4 . . 1 . . . . . . . . 7261 1 391 . 1 1 33 33 GLN CB C 13 28.7 . . 1 . . . . . . . . 7261 1 392 . 1 1 33 33 GLN CG C 13 33.2 . . 1 . . . . . . . . 7261 1 393 . 1 1 33 33 GLN N N 15 128.35 . . 1 . . . . . . . . 7261 1 394 . 1 1 33 33 GLN NE2 N 15 111.4 . . 1 . . . . . . . . 7261 1 395 . 1 1 33 33 GLN HE21 H 1 7.46 . . 2 . . . . . . . . 7261 1 396 . 1 1 33 33 GLN HE22 H 1 6.87 . . 2 . . . . . . . . 7261 1 397 . 1 1 34 34 GLY H H 1 8.994 . . 1 . . . . . . . . 7261 1 398 . 1 1 34 34 GLY HA2 H 1 4.479 . . 2 . . . . . . . . 7261 1 399 . 1 1 34 34 GLY HA3 H 1 3.44 . . 2 . . . . . . . . 7261 1 400 . 1 1 34 34 GLY C C 13 174.51 . . 1 . . . . . . . . 7261 1 401 . 1 1 34 34 GLY CA C 13 46.4 . . 1 . . . . . . . . 7261 1 402 . 1 1 34 34 GLY N N 15 112.51 . . 1 . . . . . . . . 7261 1 403 . 1 1 35 35 SER H H 1 8.428 . . 1 . . . . . . . . 7261 1 404 . 1 1 35 35 SER HA H 1 4.427 . . 1 . . . . . . . . 7261 1 405 . 1 1 35 35 SER HB2 H 1 3.878 . . 2 . . . . . . . . 7261 1 406 . 1 1 35 35 SER HB3 H 1 3.92 . . 2 . . . . . . . . 7261 1 407 . 1 1 35 35 SER C C 13 174.53 . . 1 . . . . . . . . 7261 1 408 . 1 1 35 35 SER CA C 13 59.8 . . 1 . . . . . . . . 7261 1 409 . 1 1 35 35 SER CB C 13 63.20 . . 1 . . . . . . . . 7261 1 410 . 1 1 35 35 SER N N 15 119.10 . . 1 . . . . . . . . 7261 1 411 . 1 1 36 36 HIS H H 1 7.377 . . 1 . . . . . . . . 7261 1 412 . 1 1 36 36 HIS HA H 1 5.90 . . 1 . . . . . . . . 7261 1 413 . 1 1 36 36 HIS HB2 H 1 3.26 . . 1 . . . . . . . . 7261 1 414 . 1 1 36 36 HIS HB3 H 1 3.26 . . 1 . . . . . . . . 7261 1 415 . 1 1 36 36 HIS C C 13 172.86 . . 1 . . . . . . . . 7261 1 416 . 1 1 36 36 HIS CA C 13 52.4 . . 1 . . . . . . . . 7261 1 417 . 1 1 36 36 HIS CB C 13 32.2 . . 1 . . . . . . . . 7261 1 418 . 1 1 36 36 HIS N N 15 116.72 . . 1 . . . . . . . . 7261 1 419 . 1 1 36 36 HIS CE1 C 13 136.9 . . 1 . . . . . . . . 7261 1 420 . 1 1 36 36 HIS HE1 H 1 7.89 . . 1 . . . . . . . . 7261 1 421 . 1 1 36 36 HIS CD2 C 13 118.5 . . 1 . . . . . . . . 7261 1 422 . 1 1 36 36 HIS HD2 H 1 6.988 . . 1 . . . . . . . . 7261 1 423 . 1 1 37 37 PHE H H 1 8.371 . . 1 . . . . . . . . 7261 1 424 . 1 1 37 37 PHE HA H 1 5.567 . . 1 . . . . . . . . 7261 1 425 . 1 1 37 37 PHE HB2 H 1 3.566 . . 2 . . . . . . . . 7261 1 426 . 1 1 37 37 PHE HB3 H 1 3.045 . . 2 . . . . . . . . 7261 1 427 . 1 1 37 37 PHE C C 13 172.54 . . 1 . . . . . . . . 7261 1 428 . 1 1 37 37 PHE CA C 13 57.0 . . 1 . . . . . . . . 7261 1 429 . 1 1 37 37 PHE CB C 13 39.8 . . 1 . . . . . . . . 7261 1 430 . 1 1 37 37 PHE N N 15 116.47 . . 1 . . . . . . . . 7261 1 431 . 1 1 37 37 PHE CD1 C 13 133.0 . . 1 . . . . . . . . 7261 1 432 . 1 1 37 37 PHE CD2 C 13 133.0 . . 1 . . . . . . . . 7261 1 433 . 1 1 37 37 PHE CE1 C 13 130.4 . . 1 . . . . . . . . 7261 1 434 . 1 1 37 37 PHE CE2 C 13 130.4 . . 1 . . . . . . . . 7261 1 435 . 1 1 37 37 PHE CZ C 13 128.6 . . 1 . . . . . . . . 7261 1 436 . 1 1 37 37 PHE HD1 H 1 7.0 . . 1 . . . . . . . . 7261 1 437 . 1 1 37 37 PHE HD2 H 1 7.0 . . 1 . . . . . . . . 7261 1 438 . 1 1 37 37 PHE HE1 H 1 7.23 . . 1 . . . . . . . . 7261 1 439 . 1 1 37 37 PHE HE2 H 1 7.23 . . 1 . . . . . . . . 7261 1 440 . 1 1 37 37 PHE HZ H 1 7.10 . . 1 . . . . . . . . 7261 1 441 . 1 1 38 38 ARG H H 1 8.726 . . 1 . . . . . . . . 7261 1 442 . 1 1 38 38 ARG HA H 1 5.209 . . 1 . . . . . . . . 7261 1 443 . 1 1 38 38 ARG HB2 H 1 0.947 . . 1 . . . . . . . . 7261 1 444 . 1 1 38 38 ARG HB3 H 1 0.947 . . 1 . . . . . . . . 7261 1 445 . 1 1 38 38 ARG HG2 H 1 0.045 . . 2 . . . . . . . . 7261 1 446 . 1 1 38 38 ARG HG3 H 1 0.095 . . 2 . . . . . . . . 7261 1 447 . 1 1 38 38 ARG HD2 H 1 1.45 . . 2 . . . . . . . . 7261 1 448 . 1 1 38 38 ARG HD3 H 1 2.175 . . 2 . . . . . . . . 7261 1 449 . 1 1 38 38 ARG C C 13 176.73 . . 1 . . . . . . . . 7261 1 450 . 1 1 38 38 ARG CA C 13 54.9 . . 1 . . . . . . . . 7261 1 451 . 1 1 38 38 ARG CB C 13 34.3 . . 1 . . . . . . . . 7261 1 452 . 1 1 38 38 ARG CG C 13 26.92 . . 1 . . . . . . . . 7261 1 453 . 1 1 38 38 ARG CD C 13 44.1 . . 1 . . . . . . . . 7261 1 454 . 1 1 38 38 ARG N N 15 118.20 . . 1 . . . . . . . . 7261 1 455 . 1 1 38 38 ARG NE N 15 83.85 . . 1 . . . . . . . . 7261 1 456 . 1 1 38 38 ARG HE H 1 6.68 . . 1 . . . . . . . . 7261 1 457 . 1 1 39 39 LEU H H 1 8.121 . . 1 . . . . . . . . 7261 1 458 . 1 1 39 39 LEU HA H 1 5.469 . . 1 . . . . . . . . 7261 1 459 . 1 1 39 39 LEU HB2 H 1 1.698 . . 2 . . . . . . . . 7261 1 460 . 1 1 39 39 LEU HB3 H 1 1.389 . . 2 . . . . . . . . 7261 1 461 . 1 1 39 39 LEU HG H 1 1.79 . . 1 . . . . . . . . 7261 1 462 . 1 1 39 39 LEU HD11 H 1 0.748 . . 1 . . . . . . . . 7261 1 463 . 1 1 39 39 LEU HD12 H 1 0.748 . . 1 . . . . . . . . 7261 1 464 . 1 1 39 39 LEU HD13 H 1 0.748 . . 1 . . . . . . . . 7261 1 465 . 1 1 39 39 LEU HD21 H 1 0.892 . . 1 . . . . . . . . 7261 1 466 . 1 1 39 39 LEU HD22 H 1 0.892 . . 1 . . . . . . . . 7261 1 467 . 1 1 39 39 LEU HD23 H 1 0.892 . . 1 . . . . . . . . 7261 1 468 . 1 1 39 39 LEU C C 13 175.96 . . 1 . . . . . . . . 7261 1 469 . 1 1 39 39 LEU CA C 13 53.8 . . 1 . . . . . . . . 7261 1 470 . 1 1 39 39 LEU CB C 13 45.6 . . 1 . . . . . . . . 7261 1 471 . 1 1 39 39 LEU CG C 13 27.6 . . 1 . . . . . . . . 7261 1 472 . 1 1 39 39 LEU CD1 C 13 26.19 . . 1 . . . . . . . . 7261 1 473 . 1 1 39 39 LEU CD2 C 13 24.62 . . 1 . . . . . . . . 7261 1 474 . 1 1 39 39 LEU N N 15 120.37 . . 1 . . . . . . . . 7261 1 475 . 1 1 40 40 VAL H H 1 8.880 . . 1 . . . . . . . . 7261 1 476 . 1 1 40 40 VAL HA H 1 4.382 . . 1 . . . . . . . . 7261 1 477 . 1 1 40 40 VAL HB H 1 1.940 . . 1 . . . . . . . . 7261 1 478 . 1 1 40 40 VAL HG21 H 1 0.562 . . 1 . . . . . . . . 7261 1 479 . 1 1 40 40 VAL HG22 H 1 0.562 . . 1 . . . . . . . . 7261 1 480 . 1 1 40 40 VAL HG23 H 1 0.562 . . 1 . . . . . . . . 7261 1 481 . 1 1 40 40 VAL HG11 H 1 0.691 . . 1 . . . . . . . . 7261 1 482 . 1 1 40 40 VAL HG12 H 1 0.691 . . 1 . . . . . . . . 7261 1 483 . 1 1 40 40 VAL HG13 H 1 0.691 . . 1 . . . . . . . . 7261 1 484 . 1 1 40 40 VAL C C 13 174.44 . . 1 . . . . . . . . 7261 1 485 . 1 1 40 40 VAL CA C 13 61.3 . . 1 . . . . . . . . 7261 1 486 . 1 1 40 40 VAL CB C 13 34.7 . . 1 . . . . . . . . 7261 1 487 . 1 1 40 40 VAL CG2 C 13 21.40 . . 1 . . . . . . . . 7261 1 488 . 1 1 40 40 VAL CG1 C 13 21.66 . . 1 . . . . . . . . 7261 1 489 . 1 1 40 40 VAL N N 15 121.60 . . 1 . . . . . . . . 7261 1 490 . 1 1 41 41 VAL H H 1 9.127 . . 1 . . . . . . . . 7261 1 491 . 1 1 41 41 VAL HA H 1 4.585 . . 1 . . . . . . . . 7261 1 492 . 1 1 41 41 VAL HB H 1 1.821 . . 1 . . . . . . . . 7261 1 493 . 1 1 41 41 VAL HG11 H 1 0.620 . . 1 . . . . . . . . 7261 1 494 . 1 1 41 41 VAL HG12 H 1 0.620 . . 1 . . . . . . . . 7261 1 495 . 1 1 41 41 VAL HG13 H 1 0.620 . . 1 . . . . . . . . 7261 1 496 . 1 1 41 41 VAL HG21 H 1 0.739 . . 1 . . . . . . . . 7261 1 497 . 1 1 41 41 VAL HG22 H 1 0.739 . . 1 . . . . . . . . 7261 1 498 . 1 1 41 41 VAL HG23 H 1 0.739 . . 1 . . . . . . . . 7261 1 499 . 1 1 41 41 VAL C C 13 175.67 . . 1 . . . . . . . . 7261 1 500 . 1 1 41 41 VAL CA C 13 61.0 . . 1 . . . . . . . . 7261 1 501 . 1 1 41 41 VAL CB C 13 32.8 . . 1 . . . . . . . . 7261 1 502 . 1 1 41 41 VAL CG1 C 13 20.45 . . 1 . . . . . . . . 7261 1 503 . 1 1 41 41 VAL CG2 C 13 20.59 . . 1 . . . . . . . . 7261 1 504 . 1 1 41 41 VAL N N 15 126.40 . . 1 . . . . . . . . 7261 1 505 . 1 1 42 42 ARG H H 1 8.358 . . 1 . . . . . . . . 7261 1 506 . 1 1 42 42 ARG HA H 1 5.412 . . 1 . . . . . . . . 7261 1 507 . 1 1 42 42 ARG HB2 H 1 1.516 . . 2 . . . . . . . . 7261 1 508 . 1 1 42 42 ARG HB3 H 1 1.386 . . 2 . . . . . . . . 7261 1 509 . 1 1 42 42 ARG HG2 H 1 1.119 . . 2 . . . . . . . . 7261 1 510 . 1 1 42 42 ARG HG3 H 1 1.516 . . 2 . . . . . . . . 7261 1 511 . 1 1 42 42 ARG HD2 H 1 2.925 . . 2 . . . . . . . . 7261 1 512 . 1 1 42 42 ARG HD3 H 1 3.019 . . 2 . . . . . . . . 7261 1 513 . 1 1 42 42 ARG C C 13 175.45 . . 1 . . . . . . . . 7261 1 514 . 1 1 42 42 ARG CA C 13 54.2 . . 1 . . . . . . . . 7261 1 515 . 1 1 42 42 ARG CB C 13 34.2 . . 1 . . . . . . . . 7261 1 516 . 1 1 42 42 ARG CG C 13 29.7 . . 1 . . . . . . . . 7261 1 517 . 1 1 42 42 ARG CD C 13 42.59 . . 1 . . . . . . . . 7261 1 518 . 1 1 42 42 ARG N N 15 126.43 . . 1 . . . . . . . . 7261 1 519 . 1 1 42 42 ARG NE N 15 84.71 . . 1 . . . . . . . . 7261 1 520 . 1 1 42 42 ARG HE H 1 7.28 . . 1 . . . . . . . . 7261 1 521 . 1 1 43 43 ASP H H 1 8.551 . . 1 . . . . . . . . 7261 1 522 . 1 1 43 43 ASP HA H 1 4.841 . . 1 . . . . . . . . 7261 1 523 . 1 1 43 43 ASP HB2 H 1 3.503 . . 2 . . . . . . . . 7261 1 524 . 1 1 43 43 ASP HB3 H 1 2.568 . . 2 . . . . . . . . 7261 1 525 . 1 1 43 43 ASP C C 13 178.94 . . 1 . . . . . . . . 7261 1 526 . 1 1 43 43 ASP CA C 13 52.2 . . 1 . . . . . . . . 7261 1 527 . 1 1 43 43 ASP CB C 13 41.2 . . 1 . . . . . . . . 7261 1 528 . 1 1 43 43 ASP N N 15 119.69 . . 1 . . . . . . . . 7261 1 529 . 1 1 44 44 THR H H 1 8.008 . . 1 . . . . . . . . 7261 1 530 . 1 1 44 44 THR HA H 1 3.997 . . 1 . . . . . . . . 7261 1 531 . 1 1 44 44 THR HB H 1 4.360 . . 1 . . . . . . . . 7261 1 532 . 1 1 44 44 THR HG21 H 1 1.321 . . 1 . . . . . . . . 7261 1 533 . 1 1 44 44 THR HG22 H 1 1.321 . . 1 . . . . . . . . 7261 1 534 . 1 1 44 44 THR HG23 H 1 1.321 . . 1 . . . . . . . . 7261 1 535 . 1 1 44 44 THR C C 13 175.90 . . 1 . . . . . . . . 7261 1 536 . 1 1 44 44 THR CA C 13 64.8 . . 1 . . . . . . . . 7261 1 537 . 1 1 44 44 THR CB C 13 68.6 . . 1 . . . . . . . . 7261 1 538 . 1 1 44 44 THR CG2 C 13 22.3 . . 1 . . . . . . . . 7261 1 539 . 1 1 44 44 THR N N 15 109.15 . . 1 . . . . . . . . 7261 1 540 . 1 1 45 45 GLU H H 1 8.067 . . 1 . . . . . . . . 7261 1 541 . 1 1 45 45 GLU HA H 1 4.456 . . 1 . . . . . . . . 7261 1 542 . 1 1 45 45 GLU HB2 H 1 2.272 . . 2 . . . . . . . . 7261 1 543 . 1 1 45 45 GLU HB3 H 1 1.988 . . 2 . . . . . . . . 7261 1 544 . 1 1 45 45 GLU HG2 H 1 2.205 . . 1 . . . . . . . . 7261 1 545 . 1 1 45 45 GLU HG3 H 1 2.205 . . 1 . . . . . . . . 7261 1 546 . 1 1 45 45 GLU C C 13 176.57 . . 1 . . . . . . . . 7261 1 547 . 1 1 45 45 GLU CA C 13 55.9 . . 1 . . . . . . . . 7261 1 548 . 1 1 45 45 GLU CB C 13 29.55 . . 1 . . . . . . . . 7261 1 549 . 1 1 45 45 GLU CG C 13 36.89 . . 1 . . . . . . . . 7261 1 550 . 1 1 45 45 GLU N N 15 120.03 . . 1 . . . . . . . . 7261 1 551 . 1 1 46 46 GLY H H 1 8.141 . . 1 . . . . . . . . 7261 1 552 . 1 1 46 46 GLY HA2 H 1 4.218 . . 2 . . . . . . . . 7261 1 553 . 1 1 46 46 GLY HA3 H 1 3.612 . . 2 . . . . . . . . 7261 1 554 . 1 1 46 46 GLY C C 13 174.46 . . 1 . . . . . . . . 7261 1 555 . 1 1 46 46 GLY CA C 13 45.5 . . 1 . . . . . . . . 7261 1 556 . 1 1 46 46 GLY N N 15 108.38 . . 1 . . . . . . . . 7261 1 557 . 1 1 47 47 ARG H H 1 8.676 . . 1 . . . . . . . . 7261 1 558 . 1 1 47 47 ARG HA H 1 4.209 . . 1 . . . . . . . . 7261 1 559 . 1 1 47 47 ARG HB2 H 1 1.920 . . 2 . . . . . . . . 7261 1 560 . 1 1 47 47 ARG HB3 H 1 1.694 . . 2 . . . . . . . . 7261 1 561 . 1 1 47 47 ARG HG2 H 1 1.545 . . 2 . . . . . . . . 7261 1 562 . 1 1 47 47 ARG HG3 H 1 1.55 . . 2 . . . . . . . . 7261 1 563 . 1 1 47 47 ARG HD2 H 1 3.11 . . 2 . . . . . . . . 7261 1 564 . 1 1 47 47 ARG HD3 H 1 3.21 . . 2 . . . . . . . . 7261 1 565 . 1 1 47 47 ARG C C 13 176.30 . . 1 . . . . . . . . 7261 1 566 . 1 1 47 47 ARG CA C 13 56.0 . . 1 . . . . . . . . 7261 1 567 . 1 1 47 47 ARG CB C 13 30.18 . . 1 . . . . . . . . 7261 1 568 . 1 1 47 47 ARG CG C 13 27.66 . . 1 . . . . . . . . 7261 1 569 . 1 1 47 47 ARG CD C 13 43.21 . . 1 . . . . . . . . 7261 1 570 . 1 1 47 47 ARG N N 15 124.15 . . 1 . . . . . . . . 7261 1 571 . 1 1 47 47 ARG NE N 15 85.04 . . 1 . . . . . . . . 7261 1 572 . 1 1 47 47 ARG HE H 1 7.21 . . 1 . . . . . . . . 7261 1 573 . 1 1 48 48 MET H H 1 8.752 . . 1 . . . . . . . . 7261 1 574 . 1 1 48 48 MET HA H 1 4.077 . . 1 . . . . . . . . 7261 1 575 . 1 1 48 48 MET HB2 H 1 2.337 . . 2 . . . . . . . . 7261 1 576 . 1 1 48 48 MET HB3 H 1 2.077 . . 2 . . . . . . . . 7261 1 577 . 1 1 48 48 MET HG2 H 1 1.855 . . 2 . . . . . . . . 7261 1 578 . 1 1 48 48 MET HG3 H 1 1.977 . . 2 . . . . . . . . 7261 1 579 . 1 1 48 48 MET HE1 H 1 1.81 . . 1 . . . . . . . . 7261 1 580 . 1 1 48 48 MET HE2 H 1 1.81 . . 1 . . . . . . . . 7261 1 581 . 1 1 48 48 MET HE3 H 1 1.81 . . 1 . . . . . . . . 7261 1 582 . 1 1 48 48 MET CE C 13 16.2 . . 1 . . . . . . . . 7261 1 583 . 1 1 48 48 MET C C 13 175.85 . . 1 . . . . . . . . 7261 1 584 . 1 1 48 48 MET CA C 13 58.0 . . 1 . . . . . . . . 7261 1 585 . 1 1 48 48 MET CB C 13 31.8 . . 1 . . . . . . . . 7261 1 586 . 1 1 48 48 MET CG C 13 31.97 . . 1 . . . . . . . . 7261 1 587 . 1 1 48 48 MET N N 15 123.15 . . 1 . . . . . . . . 7261 1 588 . 1 1 49 49 VAL H H 1 9.015 . . 1 . . . . . . . . 7261 1 589 . 1 1 49 49 VAL HA H 1 4.11 . . 1 . . . . . . . . 7261 1 590 . 1 1 49 49 VAL HB H 1 1.743 . . 1 . . . . . . . . 7261 1 591 . 1 1 49 49 VAL HG21 H 1 0.816 . . 1 . . . . . . . . 7261 1 592 . 1 1 49 49 VAL HG22 H 1 0.816 . . 1 . . . . . . . . 7261 1 593 . 1 1 49 49 VAL HG23 H 1 0.816 . . 1 . . . . . . . . 7261 1 594 . 1 1 49 49 VAL HG11 H 1 0.845 . . 1 . . . . . . . . 7261 1 595 . 1 1 49 49 VAL HG12 H 1 0.845 . . 1 . . . . . . . . 7261 1 596 . 1 1 49 49 VAL HG13 H 1 0.845 . . 1 . . . . . . . . 7261 1 597 . 1 1 49 49 VAL C C 13 175.24 . . 1 . . . . . . . . 7261 1 598 . 1 1 49 49 VAL CA C 13 63.2 . . 1 . . . . . . . . 7261 1 599 . 1 1 49 49 VAL CB C 13 33.5 . . 1 . . . . . . . . 7261 1 600 . 1 1 49 49 VAL CG2 C 13 20.68 . . 1 . . . . . . . . 7261 1 601 . 1 1 49 49 VAL CG1 C 13 21.7 . . 1 . . . . . . . . 7261 1 602 . 1 1 49 49 VAL N N 15 126.03 . . 1 . . . . . . . . 7261 1 603 . 1 1 50 50 TRP H H 1 7.506 . . 1 . . . . . . . . 7261 1 604 . 1 1 50 50 TRP HA H 1 4.371 . . 1 . . . . . . . . 7261 1 605 . 1 1 50 50 TRP HB2 H 1 2.501 . . 2 . . . . . . . . 7261 1 606 . 1 1 50 50 TRP HB3 H 1 1.857 . . 2 . . . . . . . . 7261 1 607 . 1 1 50 50 TRP CA C 13 57.25 . . 1 . . . . . . . . 7261 1 608 . 1 1 50 50 TRP CB C 13 32.85 . . 1 . . . . . . . . 7261 1 609 . 1 1 50 50 TRP N N 15 118.41 . . 1 . . . . . . . . 7261 1 610 . 1 1 50 50 TRP NE1 N 15 129.6 . . 1 . . . . . . . . 7261 1 611 . 1 1 50 50 TRP HE1 H 1 10.78 . . 1 . . . . . . . . 7261 1 612 . 1 1 50 50 TRP CH2 C 13 124.8 . . 1 . . . . . . . . 7261 1 613 . 1 1 50 50 TRP HH2 H 1 7.29 . . 1 . . . . . . . . 7261 1 614 . 1 1 50 50 TRP CZ2 C 13 114.6 . . 1 . . . . . . . . 7261 1 615 . 1 1 50 50 TRP HZ2 H 1 7.588 . . 1 . . . . . . . . 7261 1 616 . 1 1 50 50 TRP CZ3 C 13 121.7 . . 1 . . . . . . . . 7261 1 617 . 1 1 50 50 TRP HZ3 H 1 7.18 . . 1 . . . . . . . . 7261 1 618 . 1 1 50 50 TRP CD1 C 13 125.6 . . 1 . . . . . . . . 7261 1 619 . 1 1 50 50 TRP HD1 H 1 6.58 . . 1 . . . . . . . . 7261 1 620 . 1 1 50 50 TRP CE3 C 13 121.8 . . 1 . . . . . . . . 7261 1 621 . 1 1 50 50 TRP HE3 H 1 7.63 . . 1 . . . . . . . . 7261 1 622 . 1 1 51 51 ARG H H 1 6.546 . . 1 . . . . . . . . 7261 1 623 . 1 1 51 51 ARG HA H 1 5.209 . . 1 . . . . . . . . 7261 1 624 . 1 1 51 51 ARG HB2 H 1 1.741 . . 2 . . . . . . . . 7261 1 625 . 1 1 51 51 ARG HB3 H 1 1.279 . . 2 . . . . . . . . 7261 1 626 . 1 1 51 51 ARG HG2 H 1 0.989 . . 2 . . . . . . . . 7261 1 627 . 1 1 51 51 ARG HG3 H 1 1.266 . . 2 . . . . . . . . 7261 1 628 . 1 1 51 51 ARG HD2 H 1 2.439 . . 2 . . . . . . . . 7261 1 629 . 1 1 51 51 ARG HD3 H 1 2.772 . . 2 . . . . . . . . 7261 1 630 . 1 1 51 51 ARG C C 13 172.52 . . 1 . . . . . . . . 7261 1 631 . 1 1 51 51 ARG CA C 13 53.8 . . 1 . . . . . . . . 7261 1 632 . 1 1 51 51 ARG CB C 13 34.7 . . 1 . . . . . . . . 7261 1 633 . 1 1 51 51 ARG N N 15 120.1 . . 1 . . . . . . . . 7261 1 634 . 1 1 51 51 ARG CG C 13 24.27 . . 1 . . . . . . . . 7261 1 635 . 1 1 51 51 ARG CD C 13 44.35 . . 1 . . . . . . . . 7261 1 636 . 1 1 51 51 ARG NE N 15 84.58 . . 1 . . . . . . . . 7261 1 637 . 1 1 51 51 ARG HE H 1 7.00 . . 1 . . . . . . . . 7261 1 638 . 1 1 52 52 ALA H H 1 7.960 . . 1 . . . . . . . . 7261 1 639 . 1 1 52 52 ALA HA H 1 4.367 . . 1 . . . . . . . . 7261 1 640 . 1 1 52 52 ALA HB1 H 1 1.440 . . 1 . . . . . . . . 7261 1 641 . 1 1 52 52 ALA HB2 H 1 1.440 . . 1 . . . . . . . . 7261 1 642 . 1 1 52 52 ALA HB3 H 1 1.440 . . 1 . . . . . . . . 7261 1 643 . 1 1 52 52 ALA C C 13 176.63 . . 1 . . . . . . . . 7261 1 644 . 1 1 52 52 ALA CA C 13 51.8 . . 1 . . . . . . . . 7261 1 645 . 1 1 52 52 ALA CB C 13 23.41 . . 1 . . . . . . . . 7261 1 646 . 1 1 52 52 ALA N N 15 118.75 . . 1 . . . . . . . . 7261 1 647 . 1 1 53 53 TRP H H 1 8.508 . . 1 . . . . . . . . 7261 1 648 . 1 1 53 53 TRP HA H 1 4.65 . . 1 . . . . . . . . 7261 1 649 . 1 1 53 53 TRP HB2 H 1 2.13 . . 2 . . . . . . . . 7261 1 650 . 1 1 53 53 TRP HB3 H 1 2.23 . . 2 . . . . . . . . 7261 1 651 . 1 1 53 53 TRP C C 13 177.57 . . 1 . . . . . . . . 7261 1 652 . 1 1 53 53 TRP CA C 13 56.3 . . 1 . . . . . . . . 7261 1 653 . 1 1 53 53 TRP CB C 13 30.5 . . 1 . . . . . . . . 7261 1 654 . 1 1 53 53 TRP N N 15 120.64 . . 1 . . . . . . . . 7261 1 655 . 1 1 53 53 TRP NE1 N 15 129.3 . . 1 . . . . . . . . 7261 1 656 . 1 1 53 53 TRP HE1 H 1 10.02 . . 1 . . . . . . . . 7261 1 657 . 1 1 53 53 TRP CD1 C 13 128.3 . . 1 . . . . . . . . 7261 1 658 . 1 1 53 53 TRP HD1 H 1 7.146 . . 1 . . . . . . . . 7261 1 659 . 1 1 53 53 TRP CZ2 C 13 114.6 . . 1 . . . . . . . . 7261 1 660 . 1 1 53 53 TRP HZ2 H 1 7.44 . . 1 . . . . . . . . 7261 1 661 . 1 1 53 53 TRP CH2 C 13 125.32 . . 1 . . . . . . . . 7261 1 662 . 1 1 53 53 TRP HH2 H 1 7.29 . . 1 . . . . . . . . 7261 1 663 . 1 1 53 53 TRP CZ3 C 13 121.8 . . 1 . . . . . . . . 7261 1 664 . 1 1 53 53 TRP HZ3 H 1 7.25 . . 1 . . . . . . . . 7261 1 665 . 1 1 53 53 TRP CE3 C 13 120.6 . . 1 . . . . . . . . 7261 1 666 . 1 1 53 53 TRP HE3 H 1 7.46 . . 1 . . . . . . . . 7261 1 667 . 1 1 54 54 ASN H H 1 8.80 . . 1 . . . . . . . . 7261 1 668 . 1 1 54 54 ASN HA H 1 2.677 . . 1 . . . . . . . . 7261 1 669 . 1 1 54 54 ASN HB2 H 1 1.927 . . 2 . . . . . . . . 7261 1 670 . 1 1 54 54 ASN HB3 H 1 0.867 . . 2 . . . . . . . . 7261 1 671 . 1 1 54 54 ASN C C 13 172.97 . . 1 . . . . . . . . 7261 1 672 . 1 1 54 54 ASN CA C 13 55.34 . . 1 . . . . . . . . 7261 1 673 . 1 1 54 54 ASN CB C 13 37.4 . . 1 . . . . . . . . 7261 1 674 . 1 1 54 54 ASN N N 15 118.09 . . 1 . . . . . . . . 7261 1 675 . 1 1 54 54 ASN ND2 N 15 114.0 . . 1 . . . . . . . . 7261 1 676 . 1 1 54 54 ASN HD21 H 1 7.027 . . 2 . . . . . . . . 7261 1 677 . 1 1 54 54 ASN HD22 H 1 6.84 . . 2 . . . . . . . . 7261 1 678 . 1 1 55 55 PHE H H 1 6.116 . . 1 . . . . . . . . 7261 1 679 . 1 1 55 55 PHE HA H 1 4.606 . . 1 . . . . . . . . 7261 1 680 . 1 1 55 55 PHE HB2 H 1 3.316 . . 2 . . . . . . . . 7261 1 681 . 1 1 55 55 PHE HB3 H 1 2.392 . . 2 . . . . . . . . 7261 1 682 . 1 1 55 55 PHE C C 13 176.02 . . 1 . . . . . . . . 7261 1 683 . 1 1 55 55 PHE CA C 13 55.1 . . 1 . . . . . . . . 7261 1 684 . 1 1 55 55 PHE CB C 13 39.1 . . 1 . . . . . . . . 7261 1 685 . 1 1 55 55 PHE N N 15 108.06 . . 1 . . . . . . . . 7261 1 686 . 1 1 55 55 PHE CD1 C 13 131.3 . . 1 . . . . . . . . 7261 1 687 . 1 1 55 55 PHE CD2 C 13 131.3 . . 1 . . . . . . . . 7261 1 688 . 1 1 55 55 PHE CE1 C 13 131.2 . . 1 . . . . . . . . 7261 1 689 . 1 1 55 55 PHE CE2 C 13 131.2 . . 1 . . . . . . . . 7261 1 690 . 1 1 55 55 PHE CZ C 13 130.5 . . 1 . . . . . . . . 7261 1 691 . 1 1 55 55 PHE HD1 H 1 6.76 . . 1 . . . . . . . . 7261 1 692 . 1 1 55 55 PHE HD2 H 1 6.76 . . 1 . . . . . . . . 7261 1 693 . 1 1 55 55 PHE HE1 H 1 6.68 . . 1 . . . . . . . . 7261 1 694 . 1 1 55 55 PHE HE2 H 1 6.68 . . 1 . . . . . . . . 7261 1 695 . 1 1 55 55 PHE HZ H 1 6.33 . . 1 . . . . . . . . 7261 1 696 . 1 1 56 56 GLU H H 1 6.902 . . 1 . . . . . . . . 7261 1 697 . 1 1 56 56 GLU HA H 1 4.224 . . 1 . . . . . . . . 7261 1 698 . 1 1 56 56 GLU HB2 H 1 2.20 . . 2 . . . . . . . . 7261 1 699 . 1 1 56 56 GLU HB3 H 1 2.06 . . 2 . . . . . . . . 7261 1 700 . 1 1 56 56 GLU HG2 H 1 2.01 . . 2 . . . . . . . . 7261 1 701 . 1 1 56 56 GLU HG3 H 1 2.194 . . 2 . . . . . . . . 7261 1 702 . 1 1 56 56 GLU CA C 13 56.2 . . 1 . . . . . . . . 7261 1 703 . 1 1 56 56 GLU CB C 13 28.4 . . 1 . . . . . . . . 7261 1 704 . 1 1 56 56 GLU CG C 13 37.96 . . 1 . . . . . . . . 7261 1 705 . 1 1 56 56 GLU N N 15 124.68 . . 1 . . . . . . . . 7261 1 706 . 1 1 57 57 PRO CA C 13 64.878 . . 1 . . . . . . . . 7261 1 707 . 1 1 57 57 PRO CB C 13 31.95 . . 1 . . . . . . . . 7261 1 708 . 1 1 57 57 PRO CG C 13 27.85 . . 1 . . . . . . . . 7261 1 709 . 1 1 57 57 PRO CD C 13 50.4 . . 1 . . . . . . . . 7261 1 710 . 1 1 57 57 PRO HA H 1 4.257 . . 1 . . . . . . . . 7261 1 711 . 1 1 57 57 PRO HB2 H 1 2.376 . . 2 . . . . . . . . 7261 1 712 . 1 1 57 57 PRO HB3 H 1 1.998 . . 2 . . . . . . . . 7261 1 713 . 1 1 57 57 PRO HG2 H 1 2.126 . . 2 . . . . . . . . 7261 1 714 . 1 1 57 57 PRO HG3 H 1 2.05 . . 2 . . . . . . . . 7261 1 715 . 1 1 57 57 PRO HD2 H 1 3.87 . . 2 . . . . . . . . 7261 1 716 . 1 1 57 57 PRO HD3 H 1 3.91 . . 2 . . . . . . . . 7261 1 717 . 1 1 58 58 ASP CA C 13 52.25 . . 1 . . . . . . . . 7261 1 718 . 1 1 58 58 ASP CB C 13 40.29 . . 1 . . . . . . . . 7261 1 719 . 1 1 58 58 ASP HA H 1 5.07 . . 1 . . . . . . . . 7261 1 720 . 1 1 58 58 ASP HB2 H 1 2.68 . . 2 . . . . . . . . 7261 1 721 . 1 1 58 58 ASP HB3 H 1 3.039 . . 2 . . . . . . . . 7261 1 722 . 1 1 59 59 ALA N N 15 121.9 . . 1 . . . . . . . . 7261 1 723 . 1 1 59 59 ALA H H 1 7.29 . . 1 . . . . . . . . 7261 1 724 . 1 1 59 59 ALA HA H 1 4.007 . . 1 . . . . . . . . 7261 1 725 . 1 1 59 59 ALA HB1 H 1 1.602 . . 1 . . . . . . . . 7261 1 726 . 1 1 59 59 ALA HB2 H 1 1.602 . . 1 . . . . . . . . 7261 1 727 . 1 1 59 59 ALA HB3 H 1 1.602 . . 1 . . . . . . . . 7261 1 728 . 1 1 59 59 ALA C C 13 181.28 . . 1 . . . . . . . . 7261 1 729 . 1 1 59 59 ALA CA C 13 56.0 . . 1 . . . . . . . . 7261 1 730 . 1 1 59 59 ALA CB C 13 21.15 . . 1 . . . . . . . . 7261 1 731 . 1 1 60 60 GLY H H 1 8.947 . . 1 . . . . . . . . 7261 1 732 . 1 1 60 60 GLY HA2 H 1 5.204 . . 2 . . . . . . . . 7261 1 733 . 1 1 60 60 GLY HA3 H 1 3.52 . . 2 . . . . . . . . 7261 1 734 . 1 1 60 60 GLY C C 13 175.91 . . 1 . . . . . . . . 7261 1 735 . 1 1 60 60 GLY CA C 13 47.5 . . 1 . . . . . . . . 7261 1 736 . 1 1 60 60 GLY N N 15 106.64 . . 1 . . . . . . . . 7261 1 737 . 1 1 61 61 GLU H H 1 8.625 . . 1 . . . . . . . . 7261 1 738 . 1 1 61 61 GLU HA H 1 4.106 . . 1 . . . . . . . . 7261 1 739 . 1 1 61 61 GLU HB2 H 1 1.974 . . 2 . . . . . . . . 7261 1 740 . 1 1 61 61 GLU HB3 H 1 2.273 . . 2 . . . . . . . . 7261 1 741 . 1 1 61 61 GLU HG2 H 1 2.259 . . 2 . . . . . . . . 7261 1 742 . 1 1 61 61 GLU HG3 H 1 2.339 . . 2 . . . . . . . . 7261 1 743 . 1 1 61 61 GLU C C 13 179.84 . . 1 . . . . . . . . 7261 1 744 . 1 1 61 61 GLU CA C 13 59.3 . . 1 . . . . . . . . 7261 1 745 . 1 1 61 61 GLU CB C 13 29.3 . . 1 . . . . . . . . 7261 1 746 . 1 1 61 61 GLU CG C 13 35.6 . . 1 . . . . . . . . 7261 1 747 . 1 1 61 61 GLU N N 15 121.38 . . 1 . . . . . . . . 7261 1 748 . 1 1 62 62 GLY H H 1 7.851 . . 1 . . . . . . . . 7261 1 749 . 1 1 62 62 GLY HA2 H 1 4.33 . . 2 . . . . . . . . 7261 1 750 . 1 1 62 62 GLY HA3 H 1 3.62 . . 2 . . . . . . . . 7261 1 751 . 1 1 62 62 GLY C C 13 176.48 . . 1 . . . . . . . . 7261 1 752 . 1 1 62 62 GLY CA C 13 47.3 . . 1 . . . . . . . . 7261 1 753 . 1 1 62 62 GLY N N 15 105.60 . . 1 . . . . . . . . 7261 1 754 . 1 1 63 63 LEU H H 1 7.430 . . 1 . . . . . . . . 7261 1 755 . 1 1 63 63 LEU HA H 1 3.990 . . 1 . . . . . . . . 7261 1 756 . 1 1 63 63 LEU HB2 H 1 1.96 . . 2 . . . . . . . . 7261 1 757 . 1 1 63 63 LEU HB3 H 1 1.178 . . 2 . . . . . . . . 7261 1 758 . 1 1 63 63 LEU HG H 1 1.77 . . 1 . . . . . . . . 7261 1 759 . 1 1 63 63 LEU HD11 H 1 0.974 . . 1 . . . . . . . . 7261 1 760 . 1 1 63 63 LEU HD12 H 1 0.974 . . 1 . . . . . . . . 7261 1 761 . 1 1 63 63 LEU HD13 H 1 0.974 . . 1 . . . . . . . . 7261 1 762 . 1 1 63 63 LEU HD21 H 1 0.877 . . 1 . . . . . . . . 7261 1 763 . 1 1 63 63 LEU HD22 H 1 0.877 . . 1 . . . . . . . . 7261 1 764 . 1 1 63 63 LEU HD23 H 1 0.877 . . 1 . . . . . . . . 7261 1 765 . 1 1 63 63 LEU C C 13 179.15 . . 1 . . . . . . . . 7261 1 766 . 1 1 63 63 LEU CA C 13 57.75 . . 1 . . . . . . . . 7261 1 767 . 1 1 63 63 LEU CB C 13 42.8 . . 1 . . . . . . . . 7261 1 768 . 1 1 63 63 LEU CG C 13 28.3 . . 1 . . . . . . . . 7261 1 769 . 1 1 63 63 LEU CD1 C 13 27.9 . . 1 . . . . . . . . 7261 1 770 . 1 1 63 63 LEU CD2 C 13 24.84 . . 1 . . . . . . . . 7261 1 771 . 1 1 63 63 LEU N N 15 120.79 . . 1 . . . . . . . . 7261 1 772 . 1 1 64 64 ASN H H 1 9.296 . . 1 . . . . . . . . 7261 1 773 . 1 1 64 64 ASN HA H 1 4.344 . . 1 . . . . . . . . 7261 1 774 . 1 1 64 64 ASN HB2 H 1 2.899 . . 2 . . . . . . . . 7261 1 775 . 1 1 64 64 ASN HB3 H 1 2.456 . . 2 . . . . . . . . 7261 1 776 . 1 1 64 64 ASN CA C 13 55.4 . . 1 . . . . . . . . 7261 1 777 . 1 1 64 64 ASN CB C 13 37.97 . . 1 . . . . . . . . 7261 1 778 . 1 1 64 64 ASN N N 15 119.81 . . 1 . . . . . . . . 7261 1 779 . 1 1 64 64 ASN ND2 N 15 107.9 . . 1 . . . . . . . . 7261 1 780 . 1 1 64 64 ASN HD21 H 1 7.019 . . 2 . . . . . . . . 7261 1 781 . 1 1 64 64 ASN HD22 H 1 7.57 . . 2 . . . . . . . . 7261 1 782 . 1 1 65 65 ARG H H 1 7.202 . . 1 . . . . . . . . 7261 1 783 . 1 1 65 65 ARG HA H 1 3.767 . . 1 . . . . . . . . 7261 1 784 . 1 1 65 65 ARG HB2 H 1 1.398 . . 2 . . . . . . . . 7261 1 785 . 1 1 65 65 ARG HB3 H 1 1.568 . . 2 . . . . . . . . 7261 1 786 . 1 1 65 65 ARG HG2 H 1 1.057 . . 2 . . . . . . . . 7261 1 787 . 1 1 65 65 ARG HG3 H 1 1.522 . . 2 . . . . . . . . 7261 1 788 . 1 1 65 65 ARG HD2 H 1 2.798 . . 2 . . . . . . . . 7261 1 789 . 1 1 65 65 ARG HD3 H 1 2.868 . . 2 . . . . . . . . 7261 1 790 . 1 1 65 65 ARG C C 13 178.07 . . 1 . . . . . . . . 7261 1 791 . 1 1 65 65 ARG CA C 13 59.7 . . 1 . . . . . . . . 7261 1 792 . 1 1 65 65 ARG CB C 13 29.8 . . 1 . . . . . . . . 7261 1 793 . 1 1 65 65 ARG CG C 13 27.38 . . 1 . . . . . . . . 7261 1 794 . 1 1 65 65 ARG CD C 13 43.3 . . 1 . . . . . . . . 7261 1 795 . 1 1 65 65 ARG N N 15 118.01 . . 1 . . . . . . . . 7261 1 796 . 1 1 65 65 ARG NE N 15 85.89 . . 1 . . . . . . . . 7261 1 797 . 1 1 65 65 ARG HE H 1 7.833 . . 1 . . . . . . . . 7261 1 798 . 1 1 66 66 TYR H H 1 7.057 . . 1 . . . . . . . . 7261 1 799 . 1 1 66 66 TYR HA H 1 4.156 . . 1 . . . . . . . . 7261 1 800 . 1 1 66 66 TYR HB2 H 1 2.597 . . 2 . . . . . . . . 7261 1 801 . 1 1 66 66 TYR HB3 H 1 2.752 . . 2 . . . . . . . . 7261 1 802 . 1 1 66 66 TYR C C 13 178.28 . . 1 . . . . . . . . 7261 1 803 . 1 1 66 66 TYR CA C 13 61.1 . . 1 . . . . . . . . 7261 1 804 . 1 1 66 66 TYR CB C 13 39.4 . . 1 . . . . . . . . 7261 1 805 . 1 1 66 66 TYR N N 15 116.03 . . 1 . . . . . . . . 7261 1 806 . 1 1 66 66 TYR CD1 C 13 132.7 . . 1 . . . . . . . . 7261 1 807 . 1 1 66 66 TYR CD2 C 13 132.7 . . 1 . . . . . . . . 7261 1 808 . 1 1 66 66 TYR CE1 C 13 118.5 . . 1 . . . . . . . . 7261 1 809 . 1 1 66 66 TYR CE2 C 13 118.5 . . 1 . . . . . . . . 7261 1 810 . 1 1 66 66 TYR HD1 H 1 6.79 . . 1 . . . . . . . . 7261 1 811 . 1 1 66 66 TYR HD2 H 1 6.79 . . 1 . . . . . . . . 7261 1 812 . 1 1 66 66 TYR HE1 H 1 6.13 . . 1 . . . . . . . . 7261 1 813 . 1 1 66 66 TYR HE2 H 1 6.13 . . 1 . . . . . . . . 7261 1 814 . 1 1 67 67 ILE H H 1 8.764 . . 1 . . . . . . . . 7261 1 815 . 1 1 67 67 ILE HA H 1 2.96 . . 1 . . . . . . . . 7261 1 816 . 1 1 67 67 ILE HB H 1 1.653 . . 1 . . . . . . . . 7261 1 817 . 1 1 67 67 ILE HG21 H 1 0.438 . . 1 . . . . . . . . 7261 1 818 . 1 1 67 67 ILE HG22 H 1 0.438 . . 1 . . . . . . . . 7261 1 819 . 1 1 67 67 ILE HG23 H 1 0.438 . . 1 . . . . . . . . 7261 1 820 . 1 1 67 67 ILE HD11 H 1 0.813 . . 1 . . . . . . . . 7261 1 821 . 1 1 67 67 ILE HD12 H 1 0.813 . . 1 . . . . . . . . 7261 1 822 . 1 1 67 67 ILE HD13 H 1 0.813 . . 1 . . . . . . . . 7261 1 823 . 1 1 67 67 ILE HG13 H 1 0.345 . . 2 . . . . . . . . 7261 1 824 . 1 1 67 67 ILE HG12 H 1 1.497 . . 2 . . . . . . . . 7261 1 825 . 1 1 67 67 ILE C C 13 175.43 . . 1 . . . . . . . . 7261 1 826 . 1 1 67 67 ILE CA C 13 66.5 . . 1 . . . . . . . . 7261 1 827 . 1 1 67 67 ILE CB C 13 37.99 . . 1 . . . . . . . . 7261 1 828 . 1 1 67 67 ILE CG1 C 13 29.31 . . 1 . . . . . . . . 7261 1 829 . 1 1 67 67 ILE CG2 C 13 17.6 . . 1 . . . . . . . . 7261 1 830 . 1 1 67 67 ILE CD1 C 13 13.48 . . 1 . . . . . . . . 7261 1 831 . 1 1 67 67 ILE N N 15 123.80 . . 1 . . . . . . . . 7261 1 832 . 1 1 68 68 ARG H H 1 7.84 . . 1 . . . . . . . . 7261 1 833 . 1 1 68 68 ARG HA H 1 3.973 . . 1 . . . . . . . . 7261 1 834 . 1 1 68 68 ARG HB2 H 1 1.788 . . 1 . . . . . . . . 7261 1 835 . 1 1 68 68 ARG HB3 H 1 1.788 . . 1 . . . . . . . . 7261 1 836 . 1 1 68 68 ARG HG2 H 1 1.552 . . 2 . . . . . . . . 7261 1 837 . 1 1 68 68 ARG HG3 H 1 1.75 . . 2 . . . . . . . . 7261 1 838 . 1 1 68 68 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 7261 1 839 . 1 1 68 68 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 7261 1 840 . 1 1 68 68 ARG C C 13 178.10 . . 1 . . . . . . . . 7261 1 841 . 1 1 68 68 ARG CA C 13 59.5 . . 1 . . . . . . . . 7261 1 842 . 1 1 68 68 ARG CB C 13 30.7 . . 1 . . . . . . . . 7261 1 843 . 1 1 68 68 ARG CG C 13 28.38 . . 1 . . . . . . . . 7261 1 844 . 1 1 68 68 ARG CD C 13 43.46 . . 1 . . . . . . . . 7261 1 845 . 1 1 68 68 ARG N N 15 116.6 . . 1 . . . . . . . . 7261 1 846 . 1 1 68 68 ARG NE N 15 85.22 . . 1 . . . . . . . . 7261 1 847 . 1 1 68 68 ARG HE H 1 7.76 . . 1 . . . . . . . . 7261 1 848 . 1 1 69 69 THR N N 15 106.6 . . 1 . . . . . . . . 7261 1 849 . 1 1 69 69 THR H H 1 7.43 . . 1 . . . . . . . . 7261 1 850 . 1 1 69 69 THR HA H 1 4.296 . . 1 . . . . . . . . 7261 1 851 . 1 1 69 69 THR HB H 1 4.198 . . 1 . . . . . . . . 7261 1 852 . 1 1 69 69 THR HG21 H 1 1.138 . . 1 . . . . . . . . 7261 1 853 . 1 1 69 69 THR HG22 H 1 1.138 . . 1 . . . . . . . . 7261 1 854 . 1 1 69 69 THR HG23 H 1 1.138 . . 1 . . . . . . . . 7261 1 855 . 1 1 69 69 THR C C 13 176.83 . . 1 . . . . . . . . 7261 1 856 . 1 1 69 69 THR CA C 13 63.1 . . 1 . . . . . . . . 7261 1 857 . 1 1 69 69 THR CB C 13 69.9 . . 1 . . . . . . . . 7261 1 858 . 1 1 69 69 THR CG2 C 13 21.51 . . 1 . . . . . . . . 7261 1 859 . 1 1 70 70 SER H H 1 8.335 . . 1 . . . . . . . . 7261 1 860 . 1 1 70 70 SER HA H 1 4.756 . . 1 . . . . . . . . 7261 1 861 . 1 1 70 70 SER HB2 H 1 3.789 . . 2 . . . . . . . . 7261 1 862 . 1 1 70 70 SER HB3 H 1 3.907 . . 2 . . . . . . . . 7261 1 863 . 1 1 70 70 SER C C 13 175.01 . . 1 . . . . . . . . 7261 1 864 . 1 1 70 70 SER CA C 13 58.85 . . 1 . . . . . . . . 7261 1 865 . 1 1 70 70 SER CB C 13 64.8 . . 1 . . . . . . . . 7261 1 866 . 1 1 70 70 SER N N 15 115.66 . . 1 . . . . . . . . 7261 1 867 . 1 1 71 71 GLY H H 1 8.122 . . 1 . . . . . . . . 7261 1 868 . 1 1 71 71 GLY HA2 H 1 3.939 . . 2 . . . . . . . . 7261 1 869 . 1 1 71 71 GLY HA3 H 1 3.463 . . 2 . . . . . . . . 7261 1 870 . 1 1 71 71 GLY C C 13 173.25 . . 1 . . . . . . . . 7261 1 871 . 1 1 71 71 GLY CA C 13 46.03 . . 1 . . . . . . . . 7261 1 872 . 1 1 71 71 GLY N N 15 111.08 . . 1 . . . . . . . . 7261 1 873 . 1 1 72 72 ILE H H 1 8.917 . . 1 . . . . . . . . 7261 1 874 . 1 1 72 72 ILE HA H 1 4.310 . . 1 . . . . . . . . 7261 1 875 . 1 1 72 72 ILE HB H 1 1.765 . . 1 . . . . . . . . 7261 1 876 . 1 1 72 72 ILE HG21 H 1 0.866 . . 1 . . . . . . . . 7261 1 877 . 1 1 72 72 ILE HG22 H 1 0.866 . . 1 . . . . . . . . 7261 1 878 . 1 1 72 72 ILE HG23 H 1 0.866 . . 1 . . . . . . . . 7261 1 879 . 1 1 72 72 ILE HG12 H 1 1.059 . . 2 . . . . . . . . 7261 1 880 . 1 1 72 72 ILE HG13 H 1 1.587 . . 2 . . . . . . . . 7261 1 881 . 1 1 72 72 ILE HD11 H 1 0.822 . . 1 . . . . . . . . 7261 1 882 . 1 1 72 72 ILE HD12 H 1 0.822 . . 1 . . . . . . . . 7261 1 883 . 1 1 72 72 ILE HD13 H 1 0.822 . . 1 . . . . . . . . 7261 1 884 . 1 1 72 72 ILE C C 13 178.61 . . 1 . . . . . . . . 7261 1 885 . 1 1 72 72 ILE CA C 13 60.71 . . 1 . . . . . . . . 7261 1 886 . 1 1 72 72 ILE CB C 13 39.1 . . 1 . . . . . . . . 7261 1 887 . 1 1 72 72 ILE CG1 C 13 27.07 . . 1 . . . . . . . . 7261 1 888 . 1 1 72 72 ILE CG2 C 13 17.36 . . 1 . . . . . . . . 7261 1 889 . 1 1 72 72 ILE CD1 C 13 13.11 . . 1 . . . . . . . . 7261 1 890 . 1 1 72 72 ILE N N 15 127.95 . . 1 . . . . . . . . 7261 1 891 . 1 1 73 73 ARG H H 1 8.80 . . 1 . . . . . . . . 7261 1 892 . 1 1 73 73 ARG HA H 1 4.504 . . 1 . . . . . . . . 7261 1 893 . 1 1 73 73 ARG HB2 H 1 1.725 . . 2 . . . . . . . . 7261 1 894 . 1 1 73 73 ARG HB3 H 1 1.942 . . 2 . . . . . . . . 7261 1 895 . 1 1 73 73 ARG HG2 H 1 1.435 . . 2 . . . . . . . . 7261 1 896 . 1 1 73 73 ARG HG3 H 1 1.725 . . 2 . . . . . . . . 7261 1 897 . 1 1 73 73 ARG HD2 H 1 3.112 . . 2 . . . . . . . . 7261 1 898 . 1 1 73 73 ARG HD3 H 1 3.129 . . 2 . . . . . . . . 7261 1 899 . 1 1 73 73 ARG CA C 13 56.4 . . 1 . . . . . . . . 7261 1 900 . 1 1 73 73 ARG CB C 13 31.0 . . 1 . . . . . . . . 7261 1 901 . 1 1 73 73 ARG CG C 13 28.4 . . 1 . . . . . . . . 7261 1 902 . 1 1 73 73 ARG CD C 13 43.4 . . 1 . . . . . . . . 7261 1 903 . 1 1 73 73 ARG N N 15 127.2 . . 1 . . . . . . . . 7261 1 904 . 1 1 73 73 ARG NE N 15 84.76 . . 1 . . . . . . . . 7261 1 905 . 1 1 73 73 ARG HE H 1 7.61 . . 1 . . . . . . . . 7261 1 906 . 1 1 74 74 THR H H 1 8.54 . . 1 . . . . . . . . 7261 1 907 . 1 1 74 74 THR HA H 1 4.158 . . 1 . . . . . . . . 7261 1 908 . 1 1 74 74 THR HB H 1 4.12 . . 1 . . . . . . . . 7261 1 909 . 1 1 74 74 THR HG21 H 1 1.167 . . 1 . . . . . . . . 7261 1 910 . 1 1 74 74 THR HG22 H 1 1.167 . . 1 . . . . . . . . 7261 1 911 . 1 1 74 74 THR HG23 H 1 1.167 . . 1 . . . . . . . . 7261 1 912 . 1 1 74 74 THR C C 13 174.69 . . 1 . . . . . . . . 7261 1 913 . 1 1 74 74 THR CA C 13 62.98 . . 1 . . . . . . . . 7261 1 914 . 1 1 74 74 THR CB C 13 69.4 . . 1 . . . . . . . . 7261 1 915 . 1 1 74 74 THR CG2 C 13 22.12 . . 1 . . . . . . . . 7261 1 916 . 1 1 74 74 THR N N 15 118.1 . . 1 . . . . . . . . 7261 1 917 . 1 1 75 75 ASP H H 1 8.600 . . 1 . . . . . . . . 7261 1 918 . 1 1 75 75 ASP HA H 1 4.635 . . 1 . . . . . . . . 7261 1 919 . 1 1 75 75 ASP HB2 H 1 2.727 . . 1 . . . . . . . . 7261 1 920 . 1 1 75 75 ASP HB3 H 1 2.727 . . 1 . . . . . . . . 7261 1 921 . 1 1 75 75 ASP C C 13 176.71 . . 1 . . . . . . . . 7261 1 922 . 1 1 75 75 ASP CA C 13 54.33 . . 1 . . . . . . . . 7261 1 923 . 1 1 75 75 ASP CB C 13 40.82 . . 1 . . . . . . . . 7261 1 924 . 1 1 75 75 ASP N N 15 122.60 . . 1 . . . . . . . . 7261 1 925 . 1 1 76 76 THR H H 1 8.020 . . 1 . . . . . . . . 7261 1 926 . 1 1 76 76 THR HA H 1 4.219 . . 1 . . . . . . . . 7261 1 927 . 1 1 76 76 THR HB H 1 4.286 . . 1 . . . . . . . . 7261 1 928 . 1 1 76 76 THR HG21 H 1 1.25 . . 1 . . . . . . . . 7261 1 929 . 1 1 76 76 THR HG22 H 1 1.25 . . 1 . . . . . . . . 7261 1 930 . 1 1 76 76 THR HG23 H 1 1.25 . . 1 . . . . . . . . 7261 1 931 . 1 1 76 76 THR C C 13 174.92 . . 1 . . . . . . . . 7261 1 932 . 1 1 76 76 THR CA C 13 62.8 . . 1 . . . . . . . . 7261 1 933 . 1 1 76 76 THR CB C 13 69.4 . . 1 . . . . . . . . 7261 1 934 . 1 1 76 76 THR CG2 C 13 21.68 . . 1 . . . . . . . . 7261 1 935 . 1 1 76 76 THR N N 15 114.57 . . 1 . . . . . . . . 7261 1 936 . 1 1 77 77 ALA H H 1 8.289 . . 1 . . . . . . . . 7261 1 937 . 1 1 77 77 ALA HA H 1 4.305 . . 1 . . . . . . . . 7261 1 938 . 1 1 77 77 ALA HB1 H 1 1.425 . . 1 . . . . . . . . 7261 1 939 . 1 1 77 77 ALA HB2 H 1 1.425 . . 1 . . . . . . . . 7261 1 940 . 1 1 77 77 ALA HB3 H 1 1.425 . . 1 . . . . . . . . 7261 1 941 . 1 1 77 77 ALA C C 13 178.48 . . 1 . . . . . . . . 7261 1 942 . 1 1 77 77 ALA CA C 13 53.3 . . 1 . . . . . . . . 7261 1 943 . 1 1 77 77 ALA CB C 13 19.16 . . 1 . . . . . . . . 7261 1 944 . 1 1 77 77 ALA N N 15 125.61 . . 1 . . . . . . . . 7261 1 945 . 1 1 78 78 THR H H 1 8.071 . . 1 . . . . . . . . 7261 1 946 . 1 1 78 78 THR HA H 1 4.26 . . 1 . . . . . . . . 7261 1 947 . 1 1 78 78 THR HB H 1 4.206 . . 1 . . . . . . . . 7261 1 948 . 1 1 78 78 THR HG21 H 1 1.21 . . 1 . . . . . . . . 7261 1 949 . 1 1 78 78 THR HG22 H 1 1.21 . . 1 . . . . . . . . 7261 1 950 . 1 1 78 78 THR HG23 H 1 1.21 . . 1 . . . . . . . . 7261 1 951 . 1 1 78 78 THR C C 13 174.91 . . 1 . . . . . . . . 7261 1 952 . 1 1 78 78 THR CA C 13 62.62 . . 1 . . . . . . . . 7261 1 953 . 1 1 78 78 THR CB C 13 69.45 . . 1 . . . . . . . . 7261 1 954 . 1 1 78 78 THR CG2 C 13 21.62 . . 1 . . . . . . . . 7261 1 955 . 1 1 78 78 THR N N 15 113.29 . . 1 . . . . . . . . 7261 1 956 . 1 1 79 79 ARG H H 1 8.224 . . 1 . . . . . . . . 7261 1 957 . 1 1 79 79 ARG HA H 1 4.306 . . 1 . . . . . . . . 7261 1 958 . 1 1 79 79 ARG HB2 H 1 1.77 . . 2 . . . . . . . . 7261 1 959 . 1 1 79 79 ARG HB3 H 1 1.847 . . 2 . . . . . . . . 7261 1 960 . 1 1 79 79 ARG HG2 H 1 1.585 . . 2 . . . . . . . . 7261 1 961 . 1 1 79 79 ARG HG3 H 1 1.632 . . 2 . . . . . . . . 7261 1 962 . 1 1 79 79 ARG HD2 H 1 3.179 . . 1 . . . . . . . . 7261 1 963 . 1 1 79 79 ARG HD3 H 1 3.179 . . 1 . . . . . . . . 7261 1 964 . 1 1 79 79 ARG C C 13 176.38 . . 1 . . . . . . . . 7261 1 965 . 1 1 79 79 ARG CA C 13 56.55 . . 1 . . . . . . . . 7261 1 966 . 1 1 79 79 ARG CB C 13 30.6 . . 1 . . . . . . . . 7261 1 967 . 1 1 79 79 ARG CG C 13 27.144 . . 1 . . . . . . . . 7261 1 968 . 1 1 79 79 ARG CD C 13 43.33 . . 1 . . . . . . . . 7261 1 969 . 1 1 79 79 ARG N N 15 123.28 . . 1 . . . . . . . . 7261 1 970 . 1 1 79 79 ARG NE N 15 81.25 . . 1 . . . . . . . . 7261 1 971 . 1 1 79 79 ARG HE H 1 7.31 . . 1 . . . . . . . . 7261 1 972 . 1 1 80 80 LEU H H 1 8.195 . . 1 . . . . . . . . 7261 1 973 . 1 1 80 80 LEU HA H 1 4.268 . . 1 . . . . . . . . 7261 1 974 . 1 1 80 80 LEU HB2 H 1 1.50 . . 2 . . . . . . . . 7261 1 975 . 1 1 80 80 LEU HB3 H 1 1.61 . . 2 . . . . . . . . 7261 1 976 . 1 1 80 80 LEU HG H 1 1.61 . . 1 . . . . . . . . 7261 1 977 . 1 1 80 80 LEU HD11 H 1 0.876 . . 1 . . . . . . . . 7261 1 978 . 1 1 80 80 LEU HD12 H 1 0.876 . . 1 . . . . . . . . 7261 1 979 . 1 1 80 80 LEU HD13 H 1 0.876 . . 1 . . . . . . . . 7261 1 980 . 1 1 80 80 LEU HD21 H 1 0.818 . . 1 . . . . . . . . 7261 1 981 . 1 1 80 80 LEU HD22 H 1 0.818 . . 1 . . . . . . . . 7261 1 982 . 1 1 80 80 LEU HD23 H 1 0.818 . . 1 . . . . . . . . 7261 1 983 . 1 1 80 80 LEU C C 13 177.32 . . 1 . . . . . . . . 7261 1 984 . 1 1 80 80 LEU CA C 13 55.35 . . 1 . . . . . . . . 7261 1 985 . 1 1 80 80 LEU CB C 13 42.34 . . 1 . . . . . . . . 7261 1 986 . 1 1 80 80 LEU CG C 13 26.88 . . 1 . . . . . . . . 7261 1 987 . 1 1 80 80 LEU CD1 C 13 24.92 . . 1 . . . . . . . . 7261 1 988 . 1 1 80 80 LEU CD2 C 13 23.42 . . 1 . . . . . . . . 7261 1 989 . 1 1 80 80 LEU N N 15 122.78 . . 1 . . . . . . . . 7261 1 990 . 1 1 81 81 GLU H H 1 8.270 . . 1 . . . . . . . . 7261 1 991 . 1 1 81 81 GLU HA H 1 4.189 . . 1 . . . . . . . . 7261 1 992 . 1 1 81 81 GLU HB2 H 1 1.93 . . 1 . . . . . . . . 7261 1 993 . 1 1 81 81 GLU HB3 H 1 1.93 . . 1 . . . . . . . . 7261 1 994 . 1 1 81 81 GLU HG2 H 1 2.158 . . 2 . . . . . . . . 7261 1 995 . 1 1 81 81 GLU HG3 H 1 2.212 . . 2 . . . . . . . . 7261 1 996 . 1 1 81 81 GLU C C 13 176.32 . . 1 . . . . . . . . 7261 1 997 . 1 1 81 81 GLU CA C 13 56.57 . . 1 . . . . . . . . 7261 1 998 . 1 1 81 81 GLU CB C 13 30.3 . . 1 . . . . . . . . 7261 1 999 . 1 1 81 81 GLU CG C 13 36.016 . . 1 . . . . . . . . 7261 1 1000 . 1 1 81 81 GLU N N 15 121.36 . . 1 . . . . . . . . 7261 1 1001 . 1 1 82 82 HIS H H 1 8.411 . . 1 . . . . . . . . 7261 1 1002 . 1 1 82 82 HIS HA H 1 4.634 . . 1 . . . . . . . . 7261 1 1003 . 1 1 82 82 HIS HB2 H 1 3.06 . . 2 . . . . . . . . 7261 1 1004 . 1 1 82 82 HIS HB3 H 1 3.123 . . 2 . . . . . . . . 7261 1 1005 . 1 1 82 82 HIS C C 13 173.73 . . 1 . . . . . . . . 7261 1 1006 . 1 1 82 82 HIS CA C 13 55.64 . . 1 . . . . . . . . 7261 1 1007 . 1 1 82 82 HIS CB C 13 29.75 . . 1 . . . . . . . . 7261 1 1008 . 1 1 82 82 HIS N N 15 119.47 . . 1 . . . . . . . . 7261 1 1009 . 1 1 83 83 HIS H H 1 8.321 . . 1 . . . . . . . . 7261 1 1010 . 1 1 83 83 HIS CA C 13 57.249 . . 1 . . . . . . . . 7261 1 1011 . 1 1 83 83 HIS CB C 13 29.87 . . 1 . . . . . . . . 7261 1 1012 . 1 1 83 83 HIS N N 15 125.45 . . 1 . . . . . . . . 7261 1 stop_ save_