data_6762 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6762 _Entry.Title ; The response regulator TorI belongs to a new family of atypical excisionase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-04 _Entry.Accession_date 2005-08-05 _Entry.Last_release_date 2007-02-06 _Entry.Original_release_date 2007-02-06 _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 Latifa Elantak . . . 6762 2 Mireille Ansaldi . . . 6762 3 Fran?oise Guerlesquin . . . 6762 4 Vincent Mejean . . . 6762 5 Xavier Morelli . . . 6762 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6762 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 890 6762 '13C chemical shifts' 222 6762 '15N chemical shifts' 124 6762 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 . . 2007-02-06 2005-08-04 original author . 6762 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6762 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16079126 _Citation.Full_citation . _Citation.Title ; Structural and Genetic analyses reveal a key role in prophage excision for the TorI response regulator inhibitor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 44 _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 36802 _Citation.Page_last 36808 _Citation.Year 2005 _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 Latifa Elantak . . . 6762 1 2 Mireille Ansaldi . . . 6762 1 3 Fran?oise Guerlesquin . . . 6762 1 4 Vincent Mejean . . . 6762 1 5 Xavier Morelli . . . 6762 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'winged helix' 6762 1 'reverse turn' 6762 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_torI _Assembly.Sf_category assembly _Assembly.Sf_framecode system_torI _Assembly.Entry_ID 6762 _Assembly.ID 1 _Assembly.Name 'Tor inhibition protein' _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 'all free' _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 6762 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 'Tor inhibition protein' 1 $torI . . . native . . . . . 6762 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Tor inhibition protein' system 6762 1 torI abbreviation 6762 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'prophage excisionase' 6762 1 'inhibitor of the Tor sytem' 6762 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_torI _Entity.Sf_category entity _Entity.Sf_framecode torI _Entity.Entry_ID 6762 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'prophage excisionase' _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 ; MQHELQPDSLVDLKFIMADT GFGKTFIYDRIKSGDLPKAK VIHGRARWLYRDHCEFKNKL LSRANG ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7677 _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 1Z4H . "The Response Regulator Tori Belongs To A New Family Of Atypical Excisionase" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 2 no DBJ BAE76704 . "response regulator inhibitor for tor operon [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 3 no DBJ BAI26599 . "hypothetical protein ECO26_3393 [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 4 no DBJ BAJ44158 . "response regulator inhibitor for tor operon [Escherichia coli DH1]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 5 no DBJ BAL39139 . "response regulator inhibitor for tor operon [Escherichia coli str. K-12 substr. MDS42]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 6 no EMBL CAR03832 . "response regulator inhibitor for tor operon [Escherichia coli S88]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 7 no EMBL CAS10101 . "response regulator inhibitor for tor operon [Escherichia coli O127:H6 str. E2348/69]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 8 no EMBL CAU98520 . "response regulator inhibitor for tor operon [Escherichia coli 55989]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 9 no EMBL CCK47653 . "unnamed protein product [Escherichia coli chi7122]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 10 no EMBL CCQ29767 . "response regulator inhibitor for tor operon [Escherichia coli]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 11 no GB AAK28851 . "unknown [Salmonella phage HK620]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 12 no GB AAQ12208 . "gene 18 protein [Shigella phage Sf6]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 13 no GB AAY17072 . "TorI [Escherichia coli]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 14 no GB ABD18695 . "response regulator inhibitor for tor operon [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 15 no GB ABE08160 . "hypothetical protein UTI89_C2694 [Escherichia coli UTI89]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 16 no REF NP_112036 . "hypothetical protein HK620p03 [Enterobacteria phage HK620]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 17 no REF NP_958194 . "gene 18 protein [Enterobacteria phage Sf6]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 18 no REF WP_001163427 . "excisionase [Shigella dysenteriae]" . . . . . 100.00 66 98.48 100.00 1.66e-40 . . . . 6762 1 19 no REF WP_001163428 . "MULTISPECIES: response regulator inhibitor for tor operon [Enterobacteriaceae]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 20 no REF WP_001163429 . "excisionase [Escherichia coli]" . . . . . 100.00 66 98.48 98.48 1.74e-40 . . . . 6762 1 21 no SP Q1R904 . "RecName: Full=Response regulator inhibitor for tor operon; Short=Tor inhibitor [Escherichia coli UTI89]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 22 no SP Q2EES9 . "RecName: Full=Response regulator inhibitor for tor operon; Short=Tor inhibitor [Escherichia coli K-12]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 23 no SP Q716F7 . "RecName: Full=Probable excisionase hkaC [Shigella phage Sf6]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 24 no SP Q9AZ38 . "RecName: Full=Probable excisionase hkaC [Salmonella phage HK620]" . . . . . 100.00 66 100.00 100.00 4.46e-41 . . . . 6762 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'prophage excisionase' common 6762 1 torI abbreviation 6762 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 . 6762 1 2 . GLN . 6762 1 3 . HIS . 6762 1 4 . GLU . 6762 1 5 . LEU . 6762 1 6 . GLN . 6762 1 7 . PRO . 6762 1 8 . ASP . 6762 1 9 . SER . 6762 1 10 . LEU . 6762 1 11 . VAL . 6762 1 12 . ASP . 6762 1 13 . LEU . 6762 1 14 . LYS . 6762 1 15 . PHE . 6762 1 16 . ILE . 6762 1 17 . MET . 6762 1 18 . ALA . 6762 1 19 . ASP . 6762 1 20 . THR . 6762 1 21 . GLY . 6762 1 22 . PHE . 6762 1 23 . GLY . 6762 1 24 . LYS . 6762 1 25 . THR . 6762 1 26 . PHE . 6762 1 27 . ILE . 6762 1 28 . TYR . 6762 1 29 . ASP . 6762 1 30 . ARG . 6762 1 31 . ILE . 6762 1 32 . LYS . 6762 1 33 . SER . 6762 1 34 . GLY . 6762 1 35 . ASP . 6762 1 36 . LEU . 6762 1 37 . PRO . 6762 1 38 . LYS . 6762 1 39 . ALA . 6762 1 40 . LYS . 6762 1 41 . VAL . 6762 1 42 . ILE . 6762 1 43 . HIS . 6762 1 44 . GLY . 6762 1 45 . ARG . 6762 1 46 . ALA . 6762 1 47 . ARG . 6762 1 48 . TRP . 6762 1 49 . LEU . 6762 1 50 . TYR . 6762 1 51 . ARG . 6762 1 52 . ASP . 6762 1 53 . HIS . 6762 1 54 . CYS . 6762 1 55 . GLU . 6762 1 56 . PHE . 6762 1 57 . LYS . 6762 1 58 . ASN . 6762 1 59 . LYS . 6762 1 60 . LEU . 6762 1 61 . LEU . 6762 1 62 . SER . 6762 1 63 . ARG . 6762 1 64 . ALA . 6762 1 65 . ASN . 6762 1 66 . GLY . 6762 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 6762 1 . GLN 2 2 6762 1 . HIS 3 3 6762 1 . GLU 4 4 6762 1 . LEU 5 5 6762 1 . GLN 6 6 6762 1 . PRO 7 7 6762 1 . ASP 8 8 6762 1 . SER 9 9 6762 1 . LEU 10 10 6762 1 . VAL 11 11 6762 1 . ASP 12 12 6762 1 . LEU 13 13 6762 1 . LYS 14 14 6762 1 . PHE 15 15 6762 1 . ILE 16 16 6762 1 . MET 17 17 6762 1 . ALA 18 18 6762 1 . ASP 19 19 6762 1 . THR 20 20 6762 1 . GLY 21 21 6762 1 . PHE 22 22 6762 1 . GLY 23 23 6762 1 . LYS 24 24 6762 1 . THR 25 25 6762 1 . PHE 26 26 6762 1 . ILE 27 27 6762 1 . TYR 28 28 6762 1 . ASP 29 29 6762 1 . ARG 30 30 6762 1 . ILE 31 31 6762 1 . LYS 32 32 6762 1 . SER 33 33 6762 1 . GLY 34 34 6762 1 . ASP 35 35 6762 1 . LEU 36 36 6762 1 . PRO 37 37 6762 1 . LYS 38 38 6762 1 . ALA 39 39 6762 1 . LYS 40 40 6762 1 . VAL 41 41 6762 1 . ILE 42 42 6762 1 . HIS 43 43 6762 1 . GLY 44 44 6762 1 . ARG 45 45 6762 1 . ALA 46 46 6762 1 . ARG 47 47 6762 1 . TRP 48 48 6762 1 . LEU 49 49 6762 1 . TYR 50 50 6762 1 . ARG 51 51 6762 1 . ASP 52 52 6762 1 . HIS 53 53 6762 1 . CYS 54 54 6762 1 . GLU 55 55 6762 1 . PHE 56 56 6762 1 . LYS 57 57 6762 1 . ASN 58 58 6762 1 . LYS 59 59 6762 1 . LEU 60 60 6762 1 . LEU 61 61 6762 1 . SER 62 62 6762 1 . ARG 63 63 6762 1 . ALA 64 64 6762 1 . ASN 65 65 6762 1 . GLY 66 66 6762 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 6762 _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 $torI . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . 6762 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 6762 _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 $torI . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6762 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6762 _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 'prophage excisionase' '[U-95% 13C; U-95% 15N]' . . 1 $torI . . 1.5 . . mM . . . . 6762 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6762 1 3 H20 . . . . . . . 90 . . % . . . . 6762 1 4 D20 . . . . . . . 10 . . % . . . . 6762 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6762 _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 'prophage excisionase' . . . 1 $torI . . 1.5 . . mM . . . . 6762 2 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6762 2 3 H20 . . . . . . . 90 . . % . . . . 6762 2 4 D20 . . . . . . . 10 . . % . . . . 6762 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6762 _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 'prophage excisionase' '[U-95% 15N]' . . 1 $torI . . 1.5 . . mM . . . . 6762 3 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6762 3 3 H20 . . . . . . . 90 . . % . . . . 6762 3 4 D20 . . . . . . . 10 . . % . . . . 6762 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6762 _Sample.ID 4 _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 'prophage excisionase' '[U-95% 13C]' . . 1 $torI . . 1.5 . . mM . . . . 6762 4 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6762 4 3 H20 . . . . . . . 90 . . % . . . . 6762 4 4 D20 . . . . . . . 10 . . % . . . . 6762 4 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 6762 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.9 0.1 pH 6762 1 temperature 278 1 K 6762 1 pressure 1 . atm 6762 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6762 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 6762 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6762 _Software.ID 2 _Software.Name FELIX _Software.Version 2002 _Software.Details Accelrys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6762 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6762 _Software.ID 3 _Software.Name CNS _Software.Version 'ARIA 1.2' _Software.Details Brunger/Nilges loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6762 3 refinement 6762 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6762 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6762 _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 Varian INOVA . 800 . . . 6762 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 6762 _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 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 2 3D-HNCO . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 3 3D-HNCA . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 5 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 7 '2D NOESY' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 8 '2D TOCSY' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 9 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 1 10 HNHA . . . . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6762 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 6762 _NMR_spec_expt.ID 1 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 6762 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D-HNCO _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6762 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D-HNCA _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 6762 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 6762 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 6762 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 6762 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6762 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D TOCSY' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6762 _NMR_spec_expt.ID 9 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6762 _NMR_spec_expt.ID 10 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 6762 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6762 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6762 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6762 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 6762 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_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 '3D 15N-separated NOESY' . . . 6762 1 2 3D-HNCO . . . 6762 1 3 3D-HNCA . . . 6762 1 4 CBCA(CO)NH . . . 6762 1 5 HN(CO)CA . . . 6762 1 6 HCCH-TOCSY . . . 6762 1 7 '2D NOESY' . . . 6762 1 8 '2D TOCSY' . . . 6762 1 9 '3D 13C-separated NOESY' . . . 6762 1 10 HNHA . . . 6762 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS H H 1 8.471 0.02 . . . . . . . . . . 6762 1 2 . 1 1 3 3 HIS HA H 1 4.410 0.02 . . . . . . . . . . 6762 1 3 . 1 1 3 3 HIS HB2 H 1 2.946 0.02 . . . . . . . . . . 6762 1 4 . 1 1 3 3 HIS HB3 H 1 2.859 0.02 . . . . . . . . . . 6762 1 5 . 1 1 3 3 HIS CB C 13 29.540 0.05 . . . . . . . . . . 6762 1 6 . 1 1 3 3 HIS N N 15 121.938 0.05 . . . . . . . . . . 6762 1 7 . 1 1 4 4 GLU H H 1 8.377 0.02 . . . . . . . . . . 6762 1 8 . 1 1 4 4 GLU HA H 1 4.012 0.02 . . . . . . . . . . 6762 1 9 . 1 1 4 4 GLU HB2 H 1 2.001 0.02 . . . . . . . . . . 6762 1 10 . 1 1 4 4 GLU HG2 H 1 1.754 0.02 . . . . . . . . . . 6762 1 11 . 1 1 4 4 GLU HG3 H 1 1.754 0.02 . . . . . . . . . . 6762 1 12 . 1 1 4 4 GLU CA C 13 56.144 0.05 . . . . . . . . . . 6762 1 13 . 1 1 4 4 GLU CB C 13 29.959 0.05 . . . . . . . . . . 6762 1 14 . 1 1 4 4 GLU N N 15 123.250 0.05 . . . . . . . . . . 6762 1 15 . 1 1 5 5 LEU H H 1 7.908 0.02 . . . . . . . . . . 6762 1 16 . 1 1 5 5 LEU HA H 1 3.830 0.02 . . . . . . . . . . 6762 1 17 . 1 1 5 5 LEU HB2 H 1 0.960 0.02 . . . . . . . . . . 6762 1 18 . 1 1 5 5 LEU HB3 H 1 0.960 0.02 . . . . . . . . . . 6762 1 19 . 1 1 5 5 LEU HG H 1 0.433 0.02 . . . . . . . . . . 6762 1 20 . 1 1 5 5 LEU HD11 H 1 0.178 0.02 . . . . . . . . . . 6762 1 21 . 1 1 5 5 LEU HD12 H 1 0.178 0.02 . . . . . . . . . . 6762 1 22 . 1 1 5 5 LEU HD13 H 1 0.178 0.02 . . . . . . . . . . 6762 1 23 . 1 1 5 5 LEU HD21 H 1 -0.064 0.02 . . . . . . . . . . 6762 1 24 . 1 1 5 5 LEU HD22 H 1 -0.064 0.02 . . . . . . . . . . 6762 1 25 . 1 1 5 5 LEU HD23 H 1 -0.064 0.02 . . . . . . . . . . 6762 1 26 . 1 1 5 5 LEU CA C 13 54.534 0.05 . . . . . . . . . . 6762 1 27 . 1 1 5 5 LEU CB C 13 41.867 0.05 . . . . . . . . . . 6762 1 28 . 1 1 5 5 LEU N N 15 125.188 0.05 . . . . . . . . . . 6762 1 29 . 1 1 6 6 GLN H H 1 8.310 0.02 . . . . . . . . . . 6762 1 30 . 1 1 6 6 GLN HA H 1 4.453 0.02 . . . . . . . . . . 6762 1 31 . 1 1 6 6 GLN HB2 H 1 1.692 0.02 . . . . . . . . . . 6762 1 32 . 1 1 6 6 GLN HB3 H 1 1.692 0.02 . . . . . . . . . . 6762 1 33 . 1 1 6 6 GLN HG2 H 1 2.182 0.02 . . . . . . . . . . 6762 1 34 . 1 1 6 6 GLN HG3 H 1 2.134 0.02 . . . . . . . . . . 6762 1 35 . 1 1 6 6 GLN HE21 H 1 7.321 0.02 . . . . . . . . . . 6762 1 36 . 1 1 6 6 GLN HE22 H 1 6.733 0.02 . . . . . . . . . . 6762 1 37 . 1 1 6 6 GLN CA C 13 53.047 0.05 . . . . . . . . . . 6762 1 38 . 1 1 6 6 GLN N N 15 121.938 0.05 . . . . . . . . . . 6762 1 39 . 1 1 7 7 PRO HA H 1 4.212 0.02 . . . . . . . . . . 6762 1 40 . 1 1 7 7 PRO HB2 H 1 2.214 0.02 . . . . . . . . . . 6762 1 41 . 1 1 7 7 PRO HB3 H 1 1.999 0.02 . . . . . . . . . . 6762 1 42 . 1 1 7 7 PRO HG2 H 1 1.890 0.02 . . . . . . . . . . 6762 1 43 . 1 1 7 7 PRO HG3 H 1 1.814 0.02 . . . . . . . . . . 6762 1 44 . 1 1 7 7 PRO HD2 H 1 3.707 0.02 . . . . . . . . . . 6762 1 45 . 1 1 7 7 PRO HD3 H 1 3.649 0.02 . . . . . . . . . . 6762 1 46 . 1 1 7 7 PRO CB C 13 32.178 0.05 . . . . . . . . . . 6762 1 47 . 1 1 8 8 ASP H H 1 7.809 0.02 . . . . . . . . . . 6762 1 48 . 1 1 8 8 ASP HA H 1 4.648 0.02 . . . . . . . . . . 6762 1 49 . 1 1 8 8 ASP HB2 H 1 2.552 0.02 . . . . . . . . . . 6762 1 50 . 1 1 8 8 ASP HB3 H 1 2.458 0.02 . . . . . . . . . . 6762 1 51 . 1 1 8 8 ASP CA C 13 52.731 0.05 . . . . . . . . . . 6762 1 52 . 1 1 8 8 ASP CB C 13 39.406 0.05 . . . . . . . . . . 6762 1 53 . 1 1 8 8 ASP N N 15 111.438 0.05 . . . . . . . . . . 6762 1 54 . 1 1 9 9 SER H H 1 7.889 0.02 . . . . . . . . . . 6762 1 55 . 1 1 9 9 SER HA H 1 4.045 0.02 . . . . . . . . . . 6762 1 56 . 1 1 9 9 SER HB2 H 1 3.619 0.02 . . . . . . . . . . 6762 1 57 . 1 1 9 9 SER HB3 H 1 3.572 0.02 . . . . . . . . . . 6762 1 58 . 1 1 9 9 SER CA C 13 60.330 0.05 . . . . . . . . . . 6762 1 59 . 1 1 9 9 SER CB C 13 63.253 0.05 . . . . . . . . . . 6762 1 60 . 1 1 9 9 SER N N 15 119.312 0.05 . . . . . . . . . . 6762 1 61 . 1 1 10 10 LEU H H 1 8.326 0.02 . . . . . . . . . . 6762 1 62 . 1 1 10 10 LEU HA H 1 5.011 0.02 . . . . . . . . . . 6762 1 63 . 1 1 10 10 LEU HB2 H 1 1.591 0.02 . . . . . . . . . . 6762 1 64 . 1 1 10 10 LEU HB3 H 1 1.591 0.02 . . . . . . . . . . 6762 1 65 . 1 1 10 10 LEU HG H 1 1.485 0.02 . . . . . . . . . . 6762 1 66 . 1 1 10 10 LEU CA C 13 53.300 0.05 . . . . . . . . . . 6762 1 67 . 1 1 10 10 LEU CB C 13 43.021 0.05 . . . . . . . . . . 6762 1 68 . 1 1 10 10 LEU N N 15 123.906 0.05 . . . . . . . . . . 6762 1 69 . 1 1 11 11 VAL H H 1 9.625 0.02 . . . . . . . . . . 6762 1 70 . 1 1 11 11 VAL HA H 1 4.601 0.02 . . . . . . . . . . 6762 1 71 . 1 1 11 11 VAL HB H 1 1.750 0.02 . . . . . . . . . . 6762 1 72 . 1 1 11 11 VAL HG11 H 1 0.598 0.02 . . . . . . . . . . 6762 1 73 . 1 1 11 11 VAL HG12 H 1 0.598 0.02 . . . . . . . . . . 6762 1 74 . 1 1 11 11 VAL HG13 H 1 0.598 0.02 . . . . . . . . . . 6762 1 75 . 1 1 11 11 VAL HG21 H 1 0.598 0.02 . . . . . . . . . . 6762 1 76 . 1 1 11 11 VAL HG22 H 1 0.598 0.02 . . . . . . . . . . 6762 1 77 . 1 1 11 11 VAL HG23 H 1 0.598 0.02 . . . . . . . . . . 6762 1 78 . 1 1 11 11 VAL CA C 13 58.302 0.05 . . . . . . . . . . 6762 1 79 . 1 1 11 11 VAL CB C 13 34.368 0.05 . . . . . . . . . . 6762 1 80 . 1 1 11 11 VAL N N 15 118.656 0.05 . . . . . . . . . . 6762 1 81 . 1 1 12 12 ASP H H 1 7.785 0.02 . . . . . . . . . . 6762 1 82 . 1 1 12 12 ASP HA H 1 5.280 0.02 . . . . . . . . . . 6762 1 83 . 1 1 12 12 ASP HB2 H 1 3.255 0.02 . . . . . . . . . . 6762 1 84 . 1 1 12 12 ASP HB3 H 1 3.255 0.02 . . . . . . . . . . 6762 1 85 . 1 1 12 12 ASP CA C 13 50.774 0.05 . . . . . . . . . . 6762 1 86 . 1 1 12 12 ASP CB C 13 43.060 0.05 . . . . . . . . . . 6762 1 87 . 1 1 12 12 ASP N N 15 121.281 0.05 . . . . . . . . . . 6762 1 88 . 1 1 13 13 LEU H H 1 8.981 0.02 . . . . . . . . . . 6762 1 89 . 1 1 13 13 LEU HA H 1 3.720 0.02 . . . . . . . . . . 6762 1 90 . 1 1 13 13 LEU HB2 H 1 1.724 0.02 . . . . . . . . . . 6762 1 91 . 1 1 13 13 LEU HB3 H 1 1.724 0.02 . . . . . . . . . . 6762 1 92 . 1 1 13 13 LEU HG H 1 1.804 0.02 . . . . . . . . . . 6762 1 93 . 1 1 13 13 LEU HD11 H 1 0.880 0.02 . . . . . . . . . . 6762 1 94 . 1 1 13 13 LEU HD12 H 1 0.880 0.02 . . . . . . . . . . 6762 1 95 . 1 1 13 13 LEU HD13 H 1 0.880 0.02 . . . . . . . . . . 6762 1 96 . 1 1 13 13 LEU HD21 H 1 0.880 0.02 . . . . . . . . . . 6762 1 97 . 1 1 13 13 LEU HD22 H 1 0.880 0.02 . . . . . . . . . . 6762 1 98 . 1 1 13 13 LEU HD23 H 1 0.880 0.02 . . . . . . . . . . 6762 1 99 . 1 1 13 13 LEU CA C 13 57.725 0.05 . . . . . . . . . . 6762 1 100 . 1 1 13 13 LEU CB C 13 41.742 0.05 . . . . . . . . . . 6762 1 101 . 1 1 13 13 LEU N N 15 121.938 0.05 . . . . . . . . . . 6762 1 102 . 1 1 14 14 LYS H H 1 7.814 0.02 . . . . . . . . . . 6762 1 103 . 1 1 14 14 LYS HA H 1 3.719 0.02 . . . . . . . . . . 6762 1 104 . 1 1 14 14 LYS HB2 H 1 1.750 0.02 . . . . . . . . . . 6762 1 105 . 1 1 14 14 LYS HB3 H 1 1.750 0.02 . . . . . . . . . . 6762 1 106 . 1 1 14 14 LYS HG2 H 1 1.689 0.02 . . . . . . . . . . 6762 1 107 . 1 1 14 14 LYS HG3 H 1 1.689 0.02 . . . . . . . . . . 6762 1 108 . 1 1 14 14 LYS HD2 H 1 1.572 0.02 . . . . . . . . . . 6762 1 109 . 1 1 14 14 LYS HD3 H 1 1.572 0.02 . . . . . . . . . . 6762 1 110 . 1 1 14 14 LYS CA C 13 59.726 0.05 . . . . . . . . . . 6762 1 111 . 1 1 14 14 LYS CB C 13 31.207 0.05 . . . . . . . . . . 6762 1 112 . 1 1 14 14 LYS N N 15 118.810 0.05 . . . . . . . . . . 6762 1 113 . 1 1 15 15 PHE H H 1 8.089 0.02 . . . . . . . . . . 6762 1 114 . 1 1 15 15 PHE HA H 1 3.859 0.02 . . . . . . . . . . 6762 1 115 . 1 1 15 15 PHE HB2 H 1 3.252 0.02 . . . . . . . . . . 6762 1 116 . 1 1 15 15 PHE HB3 H 1 3.122 0.02 . . . . . . . . . . 6762 1 117 . 1 1 15 15 PHE HD1 H 1 6.640 0.02 . . . . . . . . . . 6762 1 118 . 1 1 15 15 PHE HD2 H 1 6.640 0.02 . . . . . . . . . . 6762 1 119 . 1 1 15 15 PHE HE1 H 1 6.712 0.02 . . . . . . . . . . 6762 1 120 . 1 1 15 15 PHE HE2 H 1 6.712 0.02 . . . . . . . . . . 6762 1 121 . 1 1 15 15 PHE HZ H 1 6.940 0.02 . . . . . . . . . . 6762 1 122 . 1 1 15 15 PHE CA C 13 61.722 0.05 . . . . . . . . . . 6762 1 123 . 1 1 15 15 PHE CB C 13 39.021 0.05 . . . . . . . . . . 6762 1 124 . 1 1 15 15 PHE N N 15 122.906 0.05 . . . . . . . . . . 6762 1 125 . 1 1 16 16 ILE H H 1 7.821 0.02 . . . . . . . . . . 6762 1 126 . 1 1 16 16 ILE HA H 1 3.128 0.02 . . . . . . . . . . 6762 1 127 . 1 1 16 16 ILE HB H 1 1.481 0.02 . . . . . . . . . . 6762 1 128 . 1 1 16 16 ILE HG12 H 1 1.577 0.02 . . . . . . . . . . 6762 1 129 . 1 1 16 16 ILE HG13 H 1 1.027 0.02 . . . . . . . . . . 6762 1 130 . 1 1 16 16 ILE HG21 H 1 0.771 0.02 . . . . . . . . . . 6762 1 131 . 1 1 16 16 ILE HG22 H 1 0.771 0.02 . . . . . . . . . . 6762 1 132 . 1 1 16 16 ILE HG23 H 1 0.771 0.02 . . . . . . . . . . 6762 1 133 . 1 1 16 16 ILE HD11 H 1 -0.227 0.02 . . . . . . . . . . 6762 1 134 . 1 1 16 16 ILE HD12 H 1 -0.227 0.02 . . . . . . . . . . 6762 1 135 . 1 1 16 16 ILE HD13 H 1 -0.227 0.02 . . . . . . . . . . 6762 1 136 . 1 1 16 16 ILE CA C 13 65.931 0.05 . . . . . . . . . . 6762 1 137 . 1 1 16 16 ILE CB C 13 37.967 0.05 . . . . . . . . . . 6762 1 138 . 1 1 16 16 ILE N N 15 122.594 0.05 . . . . . . . . . . 6762 1 139 . 1 1 17 17 MET H H 1 8.630 0.02 . . . . . . . . . . 6762 1 140 . 1 1 17 17 MET HA H 1 3.771 0.02 . . . . . . . . . . 6762 1 141 . 1 1 17 17 MET HB2 H 1 1.821 0.02 . . . . . . . . . . 6762 1 142 . 1 1 17 17 MET HB3 H 1 1.821 0.02 . . . . . . . . . . 6762 1 143 . 1 1 17 17 MET HG2 H 1 2.265 0.02 . . . . . . . . . . 6762 1 144 . 1 1 17 17 MET HG3 H 1 2.265 0.02 . . . . . . . . . . 6762 1 145 . 1 1 17 17 MET CA C 13 59.782 0.05 . . . . . . . . . . 6762 1 146 . 1 1 17 17 MET N N 15 121.281 0.05 . . . . . . . . . . 6762 1 147 . 1 1 18 18 ALA H H 1 7.874 0.02 . . . . . . . . . . 6762 1 148 . 1 1 18 18 ALA HA H 1 3.858 0.02 . . . . . . . . . . 6762 1 149 . 1 1 18 18 ALA HB1 H 1 1.138 0.02 . . . . . . . . . . 6762 1 150 . 1 1 18 18 ALA HB2 H 1 1.138 0.02 . . . . . . . . . . 6762 1 151 . 1 1 18 18 ALA HB3 H 1 1.138 0.02 . . . . . . . . . . 6762 1 152 . 1 1 18 18 ALA CA C 13 54.446 0.05 . . . . . . . . . . 6762 1 153 . 1 1 18 18 ALA CB C 13 17.563 0.05 . . . . . . . . . . 6762 1 154 . 1 1 18 18 ALA N N 15 123.906 0.05 . . . . . . . . . . 6762 1 155 . 1 1 19 19 ASP H H 1 8.184 0.02 . . . . . . . . . . 6762 1 156 . 1 1 19 19 ASP HA H 1 4.107 0.02 . . . . . . . . . . 6762 1 157 . 1 1 19 19 ASP HB2 H 1 1.984 0.02 . . . . . . . . . . 6762 1 158 . 1 1 19 19 ASP HB3 H 1 1.984 0.02 . . . . . . . . . . 6762 1 159 . 1 1 19 19 ASP CA C 13 55.882 0.05 . . . . . . . . . . 6762 1 160 . 1 1 19 19 ASP CB C 13 43.158 0.05 . . . . . . . . . . 6762 1 161 . 1 1 19 19 ASP N N 15 116.688 0.05 . . . . . . . . . . 6762 1 162 . 1 1 20 20 THR H H 1 7.142 0.02 . . . . . . . . . . 6762 1 163 . 1 1 20 20 THR HA H 1 3.831 0.02 . . . . . . . . . . 6762 1 164 . 1 1 20 20 THR HB H 1 3.773 0.02 . . . . . . . . . . 6762 1 165 . 1 1 20 20 THR HG21 H 1 0.951 0.02 . . . . . . . . . . 6762 1 166 . 1 1 20 20 THR HG22 H 1 0.951 0.02 . . . . . . . . . . 6762 1 167 . 1 1 20 20 THR HG23 H 1 0.951 0.02 . . . . . . . . . . 6762 1 168 . 1 1 20 20 THR CA C 13 61.409 0.05 . . . . . . . . . . 6762 1 169 . 1 1 20 20 THR CB C 13 70.916 0.05 . . . . . . . . . . 6762 1 170 . 1 1 20 20 THR N N 15 103.562 0.05 . . . . . . . . . . 6762 1 171 . 1 1 21 21 GLY H H 1 7.912 0.02 . . . . . . . . . . 6762 1 172 . 1 1 21 21 GLY HA2 H 1 3.694 0.02 . . . . . . . . . . 6762 1 173 . 1 1 21 21 GLY HA3 H 1 3.445 0.02 . . . . . . . . . . 6762 1 174 . 1 1 21 21 GLY CA C 13 45.256 0.05 . . . . . . . . . . 6762 1 175 . 1 1 21 21 GLY N N 15 112.096 0.05 . . . . . . . . . . 6762 1 176 . 1 1 22 22 PHE H H 1 7.633 0.02 . . . . . . . . . . 6762 1 177 . 1 1 22 22 PHE HA H 1 4.539 0.02 . . . . . . . . . . 6762 1 178 . 1 1 22 22 PHE HB2 H 1 3.024 0.02 . . . . . . . . . . 6762 1 179 . 1 1 22 22 PHE HB3 H 1 2.655 0.02 . . . . . . . . . . 6762 1 180 . 1 1 22 22 PHE HD1 H 1 6.561 0.02 . . . . . . . . . . 6762 1 181 . 1 1 22 22 PHE HD2 H 1 6.561 0.02 . . . . . . . . . . 6762 1 182 . 1 1 22 22 PHE HE1 H 1 6.648 0.02 . . . . . . . . . . 6762 1 183 . 1 1 22 22 PHE HE2 H 1 6.648 0.02 . . . . . . . . . . 6762 1 184 . 1 1 22 22 PHE HZ H 1 6.759 0.02 . . . . . . . . . . 6762 1 185 . 1 1 22 22 PHE CA C 13 54.851 0.05 . . . . . . . . . . 6762 1 186 . 1 1 22 22 PHE CB C 13 40.622 0.05 . . . . . . . . . . 6762 1 187 . 1 1 22 22 PHE N N 15 120.625 0.05 . . . . . . . . . . 6762 1 188 . 1 1 23 23 GLY H H 1 8.270 0.02 . . . . . . . . . . 6762 1 189 . 1 1 23 23 GLY HA2 H 1 4.130 0.02 . . . . . . . . . . 6762 1 190 . 1 1 23 23 GLY HA3 H 1 4.130 0.02 . . . . . . . . . . 6762 1 191 . 1 1 23 23 GLY CA C 13 43.574 0.05 . . . . . . . . . . 6762 1 192 . 1 1 23 23 GLY N N 15 106.847 0.05 . . . . . . . . . . 6762 1 193 . 1 1 24 24 LYS H H 1 8.377 0.02 . . . . . . . . . . 6762 1 194 . 1 1 24 24 LYS HA H 1 3.486 0.02 . . . . . . . . . . 6762 1 195 . 1 1 24 24 LYS HB2 H 1 1.660 0.02 . . . . . . . . . . 6762 1 196 . 1 1 24 24 LYS HB3 H 1 1.660 0.02 . . . . . . . . . . 6762 1 197 . 1 1 24 24 LYS HG2 H 1 1.557 0.02 . . . . . . . . . . 6762 1 198 . 1 1 24 24 LYS HG3 H 1 1.557 0.02 . . . . . . . . . . 6762 1 199 . 1 1 24 24 LYS CA C 13 60.636 0.05 . . . . . . . . . . 6762 1 200 . 1 1 24 24 LYS CB C 13 32.425 0.05 . . . . . . . . . . 6762 1 201 . 1 1 24 24 LYS N N 15 121.281 0.05 . . . . . . . . . . 6762 1 202 . 1 1 25 25 THR H H 1 8.248 0.02 . . . . . . . . . . 6762 1 203 . 1 1 25 25 THR HA H 1 3.642 0.02 . . . . . . . . . . 6762 1 204 . 1 1 25 25 THR HB H 1 3.958 0.02 . . . . . . . . . . 6762 1 205 . 1 1 25 25 THR HG21 H 1 1.050 0.02 . . . . . . . . . . 6762 1 206 . 1 1 25 25 THR HG22 H 1 1.050 0.02 . . . . . . . . . . 6762 1 207 . 1 1 25 25 THR HG23 H 1 1.050 0.02 . . . . . . . . . . 6762 1 208 . 1 1 25 25 THR CA C 13 66.268 0.05 . . . . . . . . . . 6762 1 209 . 1 1 25 25 THR CB C 13 67.948 0.05 . . . . . . . . . . 6762 1 210 . 1 1 25 25 THR N N 15 114.050 0.05 . . . . . . . . . . 6762 1 211 . 1 1 26 26 PHE H H 1 7.551 0.02 . . . . . . . . . . 6762 1 212 . 1 1 26 26 PHE HA H 1 4.003 0.02 . . . . . . . . . . 6762 1 213 . 1 1 26 26 PHE HB2 H 1 2.924 0.02 . . . . . . . . . . 6762 1 214 . 1 1 26 26 PHE HB3 H 1 2.924 0.02 . . . . . . . . . . 6762 1 215 . 1 1 26 26 PHE HD1 H 1 6.652 0.02 . . . . . . . . . . 6762 1 216 . 1 1 26 26 PHE HD2 H 1 6.652 0.02 . . . . . . . . . . 6762 1 217 . 1 1 26 26 PHE HE1 H 1 6.360 0.02 . . . . . . . . . . 6762 1 218 . 1 1 26 26 PHE HE2 H 1 6.360 0.02 . . . . . . . . . . 6762 1 219 . 1 1 26 26 PHE HZ H 1 6.564 0.02 . . . . . . . . . . 6762 1 220 . 1 1 26 26 PHE CA C 13 61.153 0.05 . . . . . . . . . . 6762 1 221 . 1 1 26 26 PHE CB C 13 39.093 0.05 . . . . . . . . . . 6762 1 222 . 1 1 26 26 PHE N N 15 123.562 0.05 . . . . . . . . . . 6762 1 223 . 1 1 27 27 ILE H H 1 7.837 0.02 . . . . . . . . . . 6762 1 224 . 1 1 27 27 ILE HA H 1 3.075 0.02 . . . . . . . . . . 6762 1 225 . 1 1 27 27 ILE HB H 1 1.641 0.02 . . . . . . . . . . 6762 1 226 . 1 1 27 27 ILE HG12 H 1 1.080 0.02 . . . . . . . . . . 6762 1 227 . 1 1 27 27 ILE HG13 H 1 1.080 0.02 . . . . . . . . . . 6762 1 228 . 1 1 27 27 ILE HG21 H 1 0.101 0.02 . . . . . . . . . . 6762 1 229 . 1 1 27 27 ILE HG22 H 1 0.101 0.02 . . . . . . . . . . 6762 1 230 . 1 1 27 27 ILE HG23 H 1 0.101 0.02 . . . . . . . . . . 6762 1 231 . 1 1 27 27 ILE HD11 H 1 0.574 0.02 . . . . . . . . . . 6762 1 232 . 1 1 27 27 ILE HD12 H 1 0.574 0.02 . . . . . . . . . . 6762 1 233 . 1 1 27 27 ILE HD13 H 1 0.574 0.02 . . . . . . . . . . 6762 1 234 . 1 1 27 27 ILE CA C 13 65.027 0.05 . . . . . . . . . . 6762 1 235 . 1 1 27 27 ILE CB C 13 36.265 0.05 . . . . . . . . . . 6762 1 236 . 1 1 27 27 ILE N N 15 120.125 0.05 . . . . . . . . . . 6762 1 237 . 1 1 28 28 TYR H H 1 8.449 0.02 . . . . . . . . . . 6762 1 238 . 1 1 28 28 TYR HA H 1 4.013 0.02 . . . . . . . . . . 6762 1 239 . 1 1 28 28 TYR HB2 H 1 2.945 0.02 . . . . . . . . . . 6762 1 240 . 1 1 28 28 TYR HB3 H 1 2.856 0.02 . . . . . . . . . . 6762 1 241 . 1 1 28 28 TYR HD1 H 1 6.992 0.02 . . . . . . . . . . 6762 1 242 . 1 1 28 28 TYR HD2 H 1 6.992 0.02 . . . . . . . . . . 6762 1 243 . 1 1 28 28 TYR HE1 H 1 6.643 0.02 . . . . . . . . . . 6762 1 244 . 1 1 28 28 TYR HE2 H 1 6.643 0.02 . . . . . . . . . . 6762 1 245 . 1 1 28 28 TYR CA C 13 61.222 0.05 . . . . . . . . . . 6762 1 246 . 1 1 28 28 TYR CB C 13 36.090 0.05 . . . . . . . . . . 6762 1 247 . 1 1 28 28 TYR N N 15 119.312 0.05 . . . . . . . . . . 6762 1 248 . 1 1 29 29 ASP HB3 H 1 2.270 0.02 . . . . . . . . . . 6762 1 249 . 1 1 29 29 ASP H H 1 8.356 0.02 . . . . . . . . . . 6762 1 250 . 1 1 29 29 ASP HA H 1 4.235 0.02 . . . . . . . . . . 6762 1 251 . 1 1 29 29 ASP HB2 H 1 2.612 0.02 . . . . . . . . . . 6762 1 252 . 1 1 29 29 ASP CA C 13 57.270 0.05 . . . . . . . . . . 6762 1 253 . 1 1 29 29 ASP CB C 13 39.541 0.05 . . . . . . . . . . 6762 1 254 . 1 1 29 29 ASP N N 15 125.210 0.05 . . . . . . . . . . 6762 1 255 . 1 1 30 30 ARG H H 1 7.793 0.02 . . . . . . . . . . 6762 1 256 . 1 1 30 30 ARG HA H 1 4.152 0.02 . . . . . . . . . . 6762 1 257 . 1 1 30 30 ARG HB2 H 1 1.820 0.02 . . . . . . . . . . 6762 1 258 . 1 1 30 30 ARG HB3 H 1 1.820 0.02 . . . . . . . . . . 6762 1 259 . 1 1 30 30 ARG HG2 H 1 1.495 0.02 . . . . . . . . . . 6762 1 260 . 1 1 30 30 ARG HG3 H 1 1.495 0.02 . . . . . . . . . . 6762 1 261 . 1 1 30 30 ARG HD2 H 1 2.792 0.02 . . . . . . . . . . 6762 1 262 . 1 1 30 30 ARG HD3 H 1 2.792 0.02 . . . . . . . . . . 6762 1 263 . 1 1 30 30 ARG HE H 1 6.637 0.02 . . . . . . . . . . 6762 1 264 . 1 1 30 30 ARG CA C 13 56.452 0.05 . . . . . . . . . . 6762 1 265 . 1 1 30 30 ARG CB C 13 29.640 0.05 . . . . . . . . . . 6762 1 266 . 1 1 30 30 ARG N N 15 121.938 0.05 . . . . . . . . . . 6762 1 267 . 1 1 31 31 ILE H H 1 7.909 0.02 . . . . . . . . . . 6762 1 268 . 1 1 31 31 ILE HA H 1 4.236 0.02 . . . . . . . . . . 6762 1 269 . 1 1 31 31 ILE HB H 1 1.307 0.02 . . . . . . . . . . 6762 1 270 . 1 1 31 31 ILE HG12 H 1 0.209 0.02 . . . . . . . . . . 6762 1 271 . 1 1 31 31 ILE HG13 H 1 -0.630 0.02 . . . . . . . . . . 6762 1 272 . 1 1 31 31 ILE HG21 H 1 -0.037 0.02 . . . . . . . . . . 6762 1 273 . 1 1 31 31 ILE HG22 H 1 -0.037 0.02 . . . . . . . . . . 6762 1 274 . 1 1 31 31 ILE HG23 H 1 -0.037 0.02 . . . . . . . . . . 6762 1 275 . 1 1 31 31 ILE HD11 H 1 0.660 0.02 . . . . . . . . . . 6762 1 276 . 1 1 31 31 ILE HD12 H 1 0.660 0.02 . . . . . . . . . . 6762 1 277 . 1 1 31 31 ILE HD13 H 1 0.660 0.02 . . . . . . . . . . 6762 1 278 . 1 1 31 31 ILE CA C 13 63.884 0.05 . . . . . . . . . . 6762 1 279 . 1 1 31 31 ILE CB C 13 38.103 0.05 . . . . . . . . . . 6762 1 280 . 1 1 31 31 ILE N N 15 124.562 0.05 . . . . . . . . . . 6762 1 281 . 1 1 32 32 LYS H H 1 7.625 0.02 . . . . . . . . . . 6762 1 282 . 1 1 32 32 LYS HA H 1 3.807 0.02 . . . . . . . . . . 6762 1 283 . 1 1 32 32 LYS HB2 H 1 1.810 0.02 . . . . . . . . . . 6762 1 284 . 1 1 32 32 LYS HB3 H 1 1.757 0.02 . . . . . . . . . . 6762 1 285 . 1 1 32 32 LYS HG2 H 1 1.362 0.02 . . . . . . . . . . 6762 1 286 . 1 1 32 32 LYS HG3 H 1 1.221 0.02 . . . . . . . . . . 6762 1 287 . 1 1 32 32 LYS HD2 H 1 1.494 0.02 . . . . . . . . . . 6762 1 288 . 1 1 32 32 LYS HD3 H 1 1.494 0.02 . . . . . . . . . . 6762 1 289 . 1 1 32 32 LYS CA C 13 59.454 0.05 . . . . . . . . . . 6762 1 290 . 1 1 32 32 LYS CB C 13 31.431 0.05 . . . . . . . . . . 6762 1 291 . 1 1 32 32 LYS N N 15 123.906 0.05 . . . . . . . . . . 6762 1 292 . 1 1 33 33 SER H H 1 7.574 0.02 . . . . . . . . . . 6762 1 293 . 1 1 33 33 SER HA H 1 4.127 0.02 . . . . . . . . . . 6762 1 294 . 1 1 33 33 SER HB2 H 1 3.770 0.02 . . . . . . . . . . 6762 1 295 . 1 1 33 33 SER HB3 H 1 3.597 0.02 . . . . . . . . . . 6762 1 296 . 1 1 33 33 SER CA C 13 59.210 0.05 . . . . . . . . . . 6762 1 297 . 1 1 33 33 SER CB C 13 63.603 0.05 . . . . . . . . . . 6762 1 298 . 1 1 33 33 SER N N 15 112.094 0.05 . . . . . . . . . . 6762 1 299 . 1 1 34 34 GLY H H 1 7.439 0.02 . . . . . . . . . . 6762 1 300 . 1 1 34 34 GLY HA2 H 1 3.994 0.02 . . . . . . . . . . 6762 1 301 . 1 1 34 34 GLY HA3 H 1 3.994 0.02 . . . . . . . . . . 6762 1 302 . 1 1 34 34 GLY CA C 13 45.083 0.05 . . . . . . . . . . 6762 1 303 . 1 1 34 34 GLY N N 15 110.128 0.05 . . . . . . . . . . 6762 1 304 . 1 1 35 35 ASP H H 1 8.040 0.02 . . . . . . . . . . 6762 1 305 . 1 1 35 35 ASP HA H 1 4.240 0.02 . . . . . . . . . . 6762 1 306 . 1 1 35 35 ASP HB2 H 1 2.604 0.02 . . . . . . . . . . 6762 1 307 . 1 1 35 35 ASP HB3 H 1 2.252 0.02 . . . . . . . . . . 6762 1 308 . 1 1 35 35 ASP CA C 13 56.025 0.05 . . . . . . . . . . 6762 1 309 . 1 1 35 35 ASP CB C 13 51.091 0.05 . . . . . . . . . . 6762 1 310 . 1 1 35 35 ASP N N 15 121.281 0.05 . . . . . . . . . . 6762 1 311 . 1 1 36 36 LEU H H 1 6.743 0.02 . . . . . . . . . . 6762 1 312 . 1 1 36 36 LEU HA H 1 4.439 0.02 . . . . . . . . . . 6762 1 313 . 1 1 36 36 LEU HB2 H 1 1.344 0.02 . . . . . . . . . . 6762 1 314 . 1 1 36 36 LEU HB3 H 1 1.344 0.02 . . . . . . . . . . 6762 1 315 . 1 1 36 36 LEU HG H 1 0.622 0.02 . . . . . . . . . . 6762 1 316 . 1 1 36 36 LEU HD11 H 1 -0.046 0.02 . . . . . . . . . . 6762 1 317 . 1 1 36 36 LEU HD12 H 1 -0.046 0.02 . . . . . . . . . . 6762 1 318 . 1 1 36 36 LEU HD13 H 1 -0.046 0.02 . . . . . . . . . . 6762 1 319 . 1 1 36 36 LEU HD21 H 1 -0.046 0.02 . . . . . . . . . . 6762 1 320 . 1 1 36 36 LEU HD22 H 1 -0.046 0.02 . . . . . . . . . . 6762 1 321 . 1 1 36 36 LEU HD23 H 1 -0.046 0.02 . . . . . . . . . . 6762 1 322 . 1 1 36 36 LEU N N 15 122.594 0.05 . . . . . . . . . . 6762 1 323 . 1 1 37 37 PRO HA H 1 4.193 0.02 . . . . . . . . . . 6762 1 324 . 1 1 37 37 PRO HB2 H 1 1.671 0.02 . . . . . . . . . . 6762 1 325 . 1 1 37 37 PRO HB3 H 1 1.671 0.02 . . . . . . . . . . 6762 1 326 . 1 1 37 37 PRO HG2 H 1 1.923 0.02 . . . . . . . . . . 6762 1 327 . 1 1 37 37 PRO HG3 H 1 1.923 0.02 . . . . . . . . . . 6762 1 328 . 1 1 37 37 PRO HD2 H 1 3.848 0.02 . . . . . . . . . . 6762 1 329 . 1 1 37 37 PRO HD3 H 1 3.848 0.02 . . . . . . . . . . 6762 1 330 . 1 1 37 37 PRO CB C 13 32.685 0.05 . . . . . . . . . . 6762 1 331 . 1 1 38 38 LYS HD2 H 1 2.750 0.02 . . . . . . . . . . 6762 1 332 . 1 1 38 38 LYS H H 1 7.843 0.02 . . . . . . . . . . 6762 1 333 . 1 1 38 38 LYS HA H 1 3.882 0.02 . . . . . . . . . . 6762 1 334 . 1 1 38 38 LYS HB2 H 1 1.533 0.02 . . . . . . . . . . 6762 1 335 . 1 1 38 38 LYS HB3 H 1 1.533 0.02 . . . . . . . . . . 6762 1 336 . 1 1 38 38 LYS HG2 H 1 1.286 0.02 . . . . . . . . . . 6762 1 337 . 1 1 38 38 LYS HG3 H 1 1.286 0.02 . . . . . . . . . . 6762 1 338 . 1 1 38 38 LYS HD3 H 1 1.420 0.02 . . . . . . . . . . 6762 1 339 . 1 1 38 38 LYS CA C 13 56.675 0.05 . . . . . . . . . . 6762 1 340 . 1 1 38 38 LYS CB C 13 32.518 0.05 . . . . . . . . . . 6762 1 341 . 1 1 38 38 LYS N N 15 118.001 0.05 . . . . . . . . . . 6762 1 342 . 1 1 39 39 ALA H H 1 8.208 0.02 . . . . . . . . . . 6762 1 343 . 1 1 39 39 ALA HA H 1 2.428 0.02 . . . . . . . . . . 6762 1 344 . 1 1 39 39 ALA HB1 H 1 0.144 0.02 . . . . . . . . . . 6762 1 345 . 1 1 39 39 ALA HB2 H 1 0.144 0.02 . . . . . . . . . . 6762 1 346 . 1 1 39 39 ALA HB3 H 1 0.144 0.02 . . . . . . . . . . 6762 1 347 . 1 1 39 39 ALA CA C 13 52.026 0.05 . . . . . . . . . . 6762 1 348 . 1 1 39 39 ALA CB C 13 18.763 0.05 . . . . . . . . . . 6762 1 349 . 1 1 39 39 ALA N N 15 125.700 0.05 . . . . . . . . . . 6762 1 350 . 1 1 40 40 LYS H H 1 7.949 0.02 . . . . . . . . . . 6762 1 351 . 1 1 40 40 LYS HA H 1 4.018 0.02 . . . . . . . . . . 6762 1 352 . 1 1 40 40 LYS HB2 H 1 1.308 0.02 . . . . . . . . . . 6762 1 353 . 1 1 40 40 LYS HB3 H 1 1.308 0.02 . . . . . . . . . . 6762 1 354 . 1 1 40 40 LYS HG2 H 1 1.050 0.02 . . . . . . . . . . 6762 1 355 . 1 1 40 40 LYS HG3 H 1 1.050 0.02 . . . . . . . . . . 6762 1 356 . 1 1 40 40 LYS HD2 H 1 1.211 0.02 . . . . . . . . . . 6762 1 357 . 1 1 40 40 LYS HD3 H 1 1.211 0.02 . . . . . . . . . . 6762 1 358 . 1 1 40 40 LYS CA C 13 54.769 0.05 . . . . . . . . . . 6762 1 359 . 1 1 40 40 LYS CB C 13 33.229 0.05 . . . . . . . . . . 6762 1 360 . 1 1 40 40 LYS N N 15 122.250 0.05 . . . . . . . . . . 6762 1 361 . 1 1 41 41 VAL H H 1 8.358 0.02 . . . . . . . . . . 6762 1 362 . 1 1 41 41 VAL HA H 1 3.908 0.02 . . . . . . . . . . 6762 1 363 . 1 1 41 41 VAL HB H 1 1.592 0.02 . . . . . . . . . . 6762 1 364 . 1 1 41 41 VAL HG11 H 1 0.442 0.02 . . . . . . . . . . 6762 1 365 . 1 1 41 41 VAL HG12 H 1 0.442 0.02 . . . . . . . . . . 6762 1 366 . 1 1 41 41 VAL HG13 H 1 0.442 0.02 . . . . . . . . . . 6762 1 367 . 1 1 41 41 VAL HG21 H 1 0.353 0.02 . . . . . . . . . . 6762 1 368 . 1 1 41 41 VAL HG22 H 1 0.353 0.02 . . . . . . . . . . 6762 1 369 . 1 1 41 41 VAL HG23 H 1 0.353 0.02 . . . . . . . . . . 6762 1 370 . 1 1 41 41 VAL CA C 13 62.249 0.05 . . . . . . . . . . 6762 1 371 . 1 1 41 41 VAL CB C 13 30.231 0.05 . . . . . . . . . . 6762 1 372 . 1 1 41 41 VAL N N 15 125.531 0.05 . . . . . . . . . . 6762 1 373 . 1 1 42 42 ILE H H 1 8.392 0.02 . . . . . . . . . . 6762 1 374 . 1 1 42 42 ILE HA H 1 3.913 0.02 . . . . . . . . . . 6762 1 375 . 1 1 42 42 ILE HB H 1 1.302 0.02 . . . . . . . . . . 6762 1 376 . 1 1 42 42 ILE HG12 H 1 0.965 0.02 . . . . . . . . . . 6762 1 377 . 1 1 42 42 ILE HG13 H 1 0.965 0.02 . . . . . . . . . . 6762 1 378 . 1 1 42 42 ILE HG21 H 1 0.440 0.02 . . . . . . . . . . 6762 1 379 . 1 1 42 42 ILE HG22 H 1 0.440 0.02 . . . . . . . . . . 6762 1 380 . 1 1 42 42 ILE HG23 H 1 0.440 0.02 . . . . . . . . . . 6762 1 381 . 1 1 42 42 ILE HD11 H 1 0.695 0.02 . . . . . . . . . . 6762 1 382 . 1 1 42 42 ILE HD12 H 1 0.695 0.02 . . . . . . . . . . 6762 1 383 . 1 1 42 42 ILE HD13 H 1 0.695 0.02 . . . . . . . . . . 6762 1 384 . 1 1 42 42 ILE CA C 13 59.334 0.05 . . . . . . . . . . 6762 1 385 . 1 1 42 42 ILE CB C 13 39.504 0.05 . . . . . . . . . . 6762 1 386 . 1 1 42 42 ILE N N 15 131.125 0.05 . . . . . . . . . . 6762 1 387 . 1 1 43 43 HIS H H 1 9.561 0.02 . . . . . . . . . . 6762 1 388 . 1 1 43 43 HIS HA H 1 4.734 0.02 . . . . . . . . . . 6762 1 389 . 1 1 43 43 HIS HB2 H 1 2.965 0.02 . . . . . . . . . . 6762 1 390 . 1 1 43 43 HIS HB3 H 1 2.965 0.02 . . . . . . . . . . 6762 1 391 . 1 1 43 43 HIS CA C 13 55.932 0.05 . . . . . . . . . . 6762 1 392 . 1 1 43 43 HIS CB C 13 27.190 0.05 . . . . . . . . . . 6762 1 393 . 1 1 43 43 HIS N N 15 129.811 0.05 . . . . . . . . . . 6762 1 394 . 1 1 44 44 GLY H H 1 8.284 0.02 . . . . . . . . . . 6762 1 395 . 1 1 44 44 GLY HA2 H 1 3.884 0.02 . . . . . . . . . . 6762 1 396 . 1 1 44 44 GLY HA3 H 1 3.228 0.02 . . . . . . . . . . 6762 1 397 . 1 1 44 44 GLY CA C 13 45.266 0.05 . . . . . . . . . . 6762 1 398 . 1 1 44 44 GLY N N 15 103.567 0.05 . . . . . . . . . . 6762 1 399 . 1 1 45 45 ARG H H 1 7.414 0.02 . . . . . . . . . . 6762 1 400 . 1 1 45 45 ARG HA H 1 4.483 0.02 . . . . . . . . . . 6762 1 401 . 1 1 45 45 ARG HB2 H 1 1.584 0.02 . . . . . . . . . . 6762 1 402 . 1 1 45 45 ARG HB3 H 1 1.584 0.02 . . . . . . . . . . 6762 1 403 . 1 1 45 45 ARG HG2 H 1 1.424 0.02 . . . . . . . . . . 6762 1 404 . 1 1 45 45 ARG HG3 H 1 1.424 0.02 . . . . . . . . . . 6762 1 405 . 1 1 45 45 ARG HD2 H 1 3.229 0.02 . . . . . . . . . . 6762 1 406 . 1 1 45 45 ARG HD3 H 1 3.229 0.02 . . . . . . . . . . 6762 1 407 . 1 1 45 45 ARG CA C 13 53.953 0.05 . . . . . . . . . . 6762 1 408 . 1 1 45 45 ARG CB C 13 31.994 0.05 . . . . . . . . . . 6762 1 409 . 1 1 45 45 ARG N N 15 121.281 0.05 . . . . . . . . . . 6762 1 410 . 1 1 46 46 ALA H H 1 8.527 0.02 . . . . . . . . . . 6762 1 411 . 1 1 46 46 ALA HA H 1 3.952 0.02 . . . . . . . . . . 6762 1 412 . 1 1 46 46 ALA HB1 H 1 0.862 0.02 . . . . . . . . . . 6762 1 413 . 1 1 46 46 ALA HB2 H 1 0.862 0.02 . . . . . . . . . . 6762 1 414 . 1 1 46 46 ALA HB3 H 1 0.862 0.02 . . . . . . . . . . 6762 1 415 . 1 1 46 46 ALA CA C 13 52.040 0.05 . . . . . . . . . . 6762 1 416 . 1 1 46 46 ALA CB C 13 18.333 0.05 . . . . . . . . . . 6762 1 417 . 1 1 46 46 ALA N N 15 127.844 0.05 . . . . . . . . . . 6762 1 418 . 1 1 47 47 ARG H H 1 8.530 0.02 . . . . . . . . . . 6762 1 419 . 1 1 47 47 ARG HA H 1 4.975 0.02 . . . . . . . . . . 6762 1 420 . 1 1 47 47 ARG HB2 H 1 1.328 0.02 . . . . . . . . . . 6762 1 421 . 1 1 47 47 ARG HB3 H 1 1.328 0.02 . . . . . . . . . . 6762 1 422 . 1 1 47 47 ARG HG2 H 1 1.525 0.02 . . . . . . . . . . 6762 1 423 . 1 1 47 47 ARG HG3 H 1 1.525 0.02 . . . . . . . . . . 6762 1 424 . 1 1 47 47 ARG CA C 13 53.146 0.05 . . . . . . . . . . 6762 1 425 . 1 1 47 47 ARG CB C 13 35.631 0.05 . . . . . . . . . . 6762 1 426 . 1 1 47 47 ARG N N 15 125.219 0.05 . . . . . . . . . . 6762 1 427 . 1 1 48 48 TRP H H 1 9.057 0.02 . . . . . . . . . . 6762 1 428 . 1 1 48 48 TRP HA H 1 4.494 0.02 . . . . . . . . . . 6762 1 429 . 1 1 48 48 TRP HB2 H 1 2.601 0.02 . . . . . . . . . . 6762 1 430 . 1 1 48 48 TRP HB3 H 1 3.054 0.02 . . . . . . . . . . 6762 1 431 . 1 1 48 48 TRP HD1 H 1 6.702 0.02 . . . . . . . . . . 6762 1 432 . 1 1 48 48 TRP HE1 H 1 9.455 0.02 . . . . . . . . . . 6762 1 433 . 1 1 48 48 TRP CA C 13 57.823 0.05 . . . . . . . . . . 6762 1 434 . 1 1 48 48 TRP CB C 13 33.154 0.05 . . . . . . . . . . 6762 1 435 . 1 1 48 48 TRP N N 15 122.594 0.05 . . . . . . . . . . 6762 1 436 . 1 1 49 49 LEU H H 1 9.824 0.02 . . . . . . . . . . 6762 1 437 . 1 1 49 49 LEU HA H 1 4.592 0.02 . . . . . . . . . . 6762 1 438 . 1 1 49 49 LEU HB2 H 1 1.736 0.02 . . . . . . . . . . 6762 1 439 . 1 1 49 49 LEU HB3 H 1 1.535 0.02 . . . . . . . . . . 6762 1 440 . 1 1 49 49 LEU HG H 1 1.460 0.02 . . . . . . . . . . 6762 1 441 . 1 1 49 49 LEU HD11 H 1 0.760 0.02 . . . . . . . . . . 6762 1 442 . 1 1 49 49 LEU HD12 H 1 0.760 0.02 . . . . . . . . . . 6762 1 443 . 1 1 49 49 LEU HD13 H 1 0.760 0.02 . . . . . . . . . . 6762 1 444 . 1 1 49 49 LEU HD21 H 1 0.677 0.02 . . . . . . . . . . 6762 1 445 . 1 1 49 49 LEU HD22 H 1 0.677 0.02 . . . . . . . . . . 6762 1 446 . 1 1 49 49 LEU HD23 H 1 0.677 0.02 . . . . . . . . . . 6762 1 447 . 1 1 49 49 LEU CA C 13 54.528 0.05 . . . . . . . . . . 6762 1 448 . 1 1 49 49 LEU CB C 13 42.105 0.05 . . . . . . . . . . 6762 1 449 . 1 1 49 49 LEU N N 15 123.250 0.05 . . . . . . . . . . 6762 1 450 . 1 1 50 50 TYR H H 1 9.555 0.02 . . . . . . . . . . 6762 1 451 . 1 1 50 50 TYR HA H 1 4.088 0.02 . . . . . . . . . . 6762 1 452 . 1 1 50 50 TYR HB2 H 1 3.195 0.02 . . . . . . . . . . 6762 1 453 . 1 1 50 50 TYR HB3 H 1 3.195 0.02 . . . . . . . . . . 6762 1 454 . 1 1 50 50 TYR HD1 H 1 6.570 0.02 . . . . . . . . . . 6762 1 455 . 1 1 50 50 TYR HD2 H 1 6.570 0.02 . . . . . . . . . . 6762 1 456 . 1 1 50 50 TYR HE1 H 1 6.942 0.02 . . . . . . . . . . 6762 1 457 . 1 1 50 50 TYR HE2 H 1 6.942 0.02 . . . . . . . . . . 6762 1 458 . 1 1 50 50 TYR CA C 13 61.577 0.05 . . . . . . . . . . 6762 1 459 . 1 1 50 50 TYR CB C 13 36.571 0.05 . . . . . . . . . . 6762 1 460 . 1 1 50 50 TYR N N 15 127.843 0.05 . . . . . . . . . . 6762 1 461 . 1 1 51 51 ARG H H 1 9.402 0.02 . . . . . . . . . . 6762 1 462 . 1 1 51 51 ARG HA H 1 3.831 0.02 . . . . . . . . . . 6762 1 463 . 1 1 51 51 ARG HB2 H 1 1.813 0.02 . . . . . . . . . . 6762 1 464 . 1 1 51 51 ARG HB3 H 1 1.522 0.02 . . . . . . . . . . 6762 1 465 . 1 1 51 51 ARG HG2 H 1 1.450 0.02 . . . . . . . . . . 6762 1 466 . 1 1 51 51 ARG HG3 H 1 1.395 0.02 . . . . . . . . . . 6762 1 467 . 1 1 51 51 ARG HD2 H 1 2.973 0.02 . . . . . . . . . . 6762 1 468 . 1 1 51 51 ARG HD3 H 1 2.920 0.02 . . . . . . . . . . 6762 1 469 . 1 1 51 51 ARG HE H 1 7.125 0.02 . . . . . . . . . . 6762 1 470 . 1 1 51 51 ARG CA C 13 59.121 0.05 . . . . . . . . . . 6762 1 471 . 1 1 51 51 ARG CB C 13 29.399 0.05 . . . . . . . . . . 6762 1 472 . 1 1 51 51 ARG N N 15 118.656 0.05 . . . . . . . . . . 6762 1 473 . 1 1 52 52 ASP H H 1 6.886 0.02 . . . . . . . . . . 6762 1 474 . 1 1 52 52 ASP HA H 1 4.374 0.02 . . . . . . . . . . 6762 1 475 . 1 1 52 52 ASP HB2 H 1 2.939 0.02 . . . . . . . . . . 6762 1 476 . 1 1 52 52 ASP HB3 H 1 2.294 0.02 . . . . . . . . . . 6762 1 477 . 1 1 52 52 ASP CB C 13 39.841 0.05 . . . . . . . . . . 6762 1 478 . 1 1 52 52 ASP N N 15 121.625 0.05 . . . . . . . . . . 6762 1 479 . 1 1 53 53 HIS H H 1 7.897 0.02 . . . . . . . . . . 6762 1 480 . 1 1 53 53 HIS HA H 1 4.167 0.02 . . . . . . . . . . 6762 1 481 . 1 1 53 53 HIS HB2 H 1 3.242 0.02 . . . . . . . . . . 6762 1 482 . 1 1 53 53 HIS HB3 H 1 3.242 0.02 . . . . . . . . . . 6762 1 483 . 1 1 53 53 HIS HD2 H 1 6.795 0.02 . . . . . . . . . . 6762 1 484 . 1 1 53 53 HIS HE1 H 1 7.363 0.02 . . . . . . . . . . 6762 1 485 . 1 1 53 53 HIS CA C 13 60.375 0.05 . . . . . . . . . . 6762 1 486 . 1 1 53 53 HIS CB C 13 31.108 0.05 . . . . . . . . . . 6762 1 487 . 1 1 53 53 HIS N N 15 124.550 0.05 . . . . . . . . . . 6762 1 488 . 1 1 54 54 CYS H H 1 8.288 0.02 . . . . . . . . . . 6762 1 489 . 1 1 54 54 CYS HA H 1 3.371 0.02 . . . . . . . . . . 6762 1 490 . 1 1 54 54 CYS HB2 H 1 2.599 0.02 . . . . . . . . . . 6762 1 491 . 1 1 54 54 CYS HB3 H 1 2.599 0.02 . . . . . . . . . . 6762 1 492 . 1 1 54 54 CYS CA C 13 59.081 0.05 . . . . . . . . . . 6762 1 493 . 1 1 54 54 CYS N N 15 117.344 0.05 . . . . . . . . . . 6762 1 494 . 1 1 55 55 GLU H H 1 7.439 0.02 . . . . . . . . . . 6762 1 495 . 1 1 55 55 GLU HA H 1 3.880 0.02 . . . . . . . . . . 6762 1 496 . 1 1 55 55 GLU HB2 H 1 1.934 0.02 . . . . . . . . . . 6762 1 497 . 1 1 55 55 GLU HB3 H 1 1.934 0.02 . . . . . . . . . . 6762 1 498 . 1 1 55 55 GLU HG2 H 1 2.197 0.02 . . . . . . . . . . 6762 1 499 . 1 1 55 55 GLU HG3 H 1 2.146 0.02 . . . . . . . . . . 6762 1 500 . 1 1 55 55 GLU CA C 13 59.081 0.05 . . . . . . . . . . 6762 1 501 . 1 1 55 55 GLU CB C 13 28.465 0.05 . . . . . . . . . . 6762 1 502 . 1 1 55 55 GLU N N 15 121.281 0.05 . . . . . . . . . . 6762 1 503 . 1 1 56 56 PHE H H 1 7.729 0.02 . . . . . . . . . . 6762 1 504 . 1 1 56 56 PHE HA H 1 4.300 0.02 . . . . . . . . . . 6762 1 505 . 1 1 56 56 PHE HB2 H 1 3.192 0.02 . . . . . . . . . . 6762 1 506 . 1 1 56 56 PHE HB3 H 1 3.192 0.02 . . . . . . . . . . 6762 1 507 . 1 1 56 56 PHE HD1 H 1 7.009 0.02 . . . . . . . . . . 6762 1 508 . 1 1 56 56 PHE HD2 H 1 7.009 0.02 . . . . . . . . . . 6762 1 509 . 1 1 56 56 PHE HE1 H 1 6.760 0.02 . . . . . . . . . . 6762 1 510 . 1 1 56 56 PHE HE2 H 1 6.760 0.02 . . . . . . . . . . 6762 1 511 . 1 1 56 56 PHE HZ H 1 6.693 0.02 . . . . . . . . . . 6762 1 512 . 1 1 56 56 PHE N N 15 123.906 0.05 . . . . . . . . . . 6762 1 513 . 1 1 57 57 LYS H H 1 8.102 0.02 . . . . . . . . . . 6762 1 514 . 1 1 57 57 LYS HA H 1 3.039 0.02 . . . . . . . . . . 6762 1 515 . 1 1 57 57 LYS HB2 H 1 1.255 0.02 . . . . . . . . . . 6762 1 516 . 1 1 57 57 LYS HB3 H 1 1.255 0.02 . . . . . . . . . . 6762 1 517 . 1 1 57 57 LYS HG2 H 1 0.818 0.02 . . . . . . . . . . 6762 1 518 . 1 1 57 57 LYS HG3 H 1 0.818 0.02 . . . . . . . . . . 6762 1 519 . 1 1 57 57 LYS HD2 H 1 1.139 0.02 . . . . . . . . . . 6762 1 520 . 1 1 57 57 LYS HD3 H 1 1.139 0.02 . . . . . . . . . . 6762 1 521 . 1 1 57 57 LYS HE2 H 1 2.608 0.02 . . . . . . . . . . 6762 1 522 . 1 1 57 57 LYS HE3 H 1 2.608 0.02 . . . . . . . . . . 6762 1 523 . 1 1 57 57 LYS CA C 13 59.827 0.05 . . . . . . . . . . 6762 1 524 . 1 1 57 57 LYS CB C 13 31.564 0.05 . . . . . . . . . . 6762 1 525 . 1 1 57 57 LYS N N 15 119.790 0.05 . . . . . . . . . . 6762 1 526 . 1 1 58 58 ASN H H 1 7.685 0.02 . . . . . . . . . . 6762 1 527 . 1 1 58 58 ASN HA H 1 4.152 0.02 . . . . . . . . . . 6762 1 528 . 1 1 58 58 ASN HB2 H 1 2.605 0.02 . . . . . . . . . . 6762 1 529 . 1 1 58 58 ASN HB3 H 1 2.545 0.02 . . . . . . . . . . 6762 1 530 . 1 1 58 58 ASN HD21 H 1 7.390 0.02 . . . . . . . . . . 6762 1 531 . 1 1 58 58 ASN HD22 H 1 6.649 0.02 . . . . . . . . . . 6762 1 532 . 1 1 58 58 ASN CA C 13 55.622 0.05 . . . . . . . . . . 6762 1 533 . 1 1 58 58 ASN CB C 13 37.779 0.05 . . . . . . . . . . 6762 1 534 . 1 1 58 58 ASN N N 15 118.001 0.05 . . . . . . . . . . 6762 1 535 . 1 1 59 59 LYS H H 1 7.978 0.02 . . . . . . . . . . 6762 1 536 . 1 1 59 59 LYS HA H 1 3.808 0.02 . . . . . . . . . . 6762 1 537 . 1 1 59 59 LYS HB2 H 1 1.863 0.02 . . . . . . . . . . 6762 1 538 . 1 1 59 59 LYS HB3 H 1 1.863 0.02 . . . . . . . . . . 6762 1 539 . 1 1 59 59 LYS HG2 H 1 1.414 0.02 . . . . . . . . . . 6762 1 540 . 1 1 59 59 LYS HG3 H 1 1.414 0.02 . . . . . . . . . . 6762 1 541 . 1 1 59 59 LYS HD2 H 1 1.644 0.02 . . . . . . . . . . 6762 1 542 . 1 1 59 59 LYS HD3 H 1 1.644 0.02 . . . . . . . . . . 6762 1 543 . 1 1 59 59 LYS HE2 H 1 3.038 0.02 . . . . . . . . . . 6762 1 544 . 1 1 59 59 LYS HE3 H 1 3.038 0.02 . . . . . . . . . . 6762 1 545 . 1 1 59 59 LYS HZ1 H 1 7.009 0.02 . . . . . . . . . . 6762 1 546 . 1 1 59 59 LYS HZ2 H 1 7.009 0.02 . . . . . . . . . . 6762 1 547 . 1 1 59 59 LYS HZ3 H 1 7.009 0.02 . . . . . . . . . . 6762 1 548 . 1 1 59 59 LYS CA C 13 59.011 0.05 . . . . . . . . . . 6762 1 549 . 1 1 59 59 LYS CB C 13 32.192 0.05 . . . . . . . . . . 6762 1 550 . 1 1 59 59 LYS N N 15 123.250 0.05 . . . . . . . . . . 6762 1 551 . 1 1 60 60 LEU H H 1 7.474 0.02 . . . . . . . . . . 6762 1 552 . 1 1 60 60 LEU HA H 1 3.805 0.02 . . . . . . . . . . 6762 1 553 . 1 1 60 60 LEU HB2 H 1 1.412 0.02 . . . . . . . . . . 6762 1 554 . 1 1 60 60 LEU HB3 H 1 1.412 0.02 . . . . . . . . . . 6762 1 555 . 1 1 60 60 LEU HG H 1 1.286 0.02 . . . . . . . . . . 6762 1 556 . 1 1 60 60 LEU HD11 H 1 0.491 0.02 . . . . . . . . . . 6762 1 557 . 1 1 60 60 LEU HD12 H 1 0.491 0.02 . . . . . . . . . . 6762 1 558 . 1 1 60 60 LEU HD13 H 1 0.491 0.02 . . . . . . . . . . 6762 1 559 . 1 1 60 60 LEU HD21 H 1 0.373 0.02 . . . . . . . . . . 6762 1 560 . 1 1 60 60 LEU HD22 H 1 0.373 0.02 . . . . . . . . . . 6762 1 561 . 1 1 60 60 LEU HD23 H 1 0.373 0.02 . . . . . . . . . . 6762 1 562 . 1 1 60 60 LEU CA C 13 56.413 0.05 . . . . . . . . . . 6762 1 563 . 1 1 60 60 LEU N N 15 120.625 0.05 . . . . . . . . . . 6762 1 564 . 1 1 61 61 LEU H H 1 7.687 0.02 . . . . . . . . . . 6762 1 565 . 1 1 61 61 LEU HA H 1 4.010 0.02 . . . . . . . . . . 6762 1 566 . 1 1 61 61 LEU HB2 H 1 1.534 0.02 . . . . . . . . . . 6762 1 567 . 1 1 61 61 LEU HB3 H 1 1.468 0.02 . . . . . . . . . . 6762 1 568 . 1 1 61 61 LEU HG H 1 1.356 0.02 . . . . . . . . . . 6762 1 569 . 1 1 61 61 LEU HD11 H 1 0.613 0.02 . . . . . . . . . . 6762 1 570 . 1 1 61 61 LEU HD12 H 1 0.613 0.02 . . . . . . . . . . 6762 1 571 . 1 1 61 61 LEU HD13 H 1 0.613 0.02 . . . . . . . . . . 6762 1 572 . 1 1 61 61 LEU HD21 H 1 0.613 0.02 . . . . . . . . . . 6762 1 573 . 1 1 61 61 LEU HD22 H 1 0.613 0.02 . . . . . . . . . . 6762 1 574 . 1 1 61 61 LEU HD23 H 1 0.613 0.02 . . . . . . . . . . 6762 1 575 . 1 1 61 61 LEU CA C 13 56.222 0.05 . . . . . . . . . . 6762 1 576 . 1 1 61 61 LEU CB C 13 41.580 0.05 . . . . . . . . . . 6762 1 577 . 1 1 61 61 LEU N N 15 121.281 0.05 . . . . . . . . . . 6762 1 578 . 1 1 62 62 SER H H 1 7.671 0.02 . . . . . . . . . . 6762 1 579 . 1 1 62 62 SER HA H 1 4.096 0.02 . . . . . . . . . . 6762 1 580 . 1 1 62 62 SER HB2 H 1 3.703 0.02 . . . . . . . . . . 6762 1 581 . 1 1 62 62 SER HB3 H 1 3.703 0.02 . . . . . . . . . . 6762 1 582 . 1 1 62 62 SER CA C 13 59.425 0.05 . . . . . . . . . . 6762 1 583 . 1 1 62 62 SER CB C 13 63.070 0.05 . . . . . . . . . . 6762 1 584 . 1 1 62 62 SER N N 15 115.719 0.05 . . . . . . . . . . 6762 1 585 . 1 1 63 63 ARG H H 1 7.638 0.02 . . . . . . . . . . 6762 1 586 . 1 1 63 63 ARG HA H 1 4.106 0.02 . . . . . . . . . . 6762 1 587 . 1 1 63 63 ARG HB2 H 1 1.675 0.02 . . . . . . . . . . 6762 1 588 . 1 1 63 63 ARG HB3 H 1 1.553 0.02 . . . . . . . . . . 6762 1 589 . 1 1 63 63 ARG HG2 H 1 1.467 0.02 . . . . . . . . . . 6762 1 590 . 1 1 63 63 ARG HG3 H 1 1.417 0.02 . . . . . . . . . . 6762 1 591 . 1 1 63 63 ARG HD2 H 1 2.950 0.02 . . . . . . . . . . 6762 1 592 . 1 1 63 63 ARG HD3 H 1 2.878 0.02 . . . . . . . . . . 6762 1 593 . 1 1 63 63 ARG HE H 1 7.041 0.02 . . . . . . . . . . 6762 1 594 . 1 1 63 63 ARG CA C 13 55.966 0.05 . . . . . . . . . . 6762 1 595 . 1 1 63 63 ARG CB C 13 30.171 0.05 . . . . . . . . . . 6762 1 596 . 1 1 63 63 ARG N N 15 123.250 0.05 . . . . . . . . . . 6762 1 597 . 1 1 64 64 ALA H H 1 7.850 0.02 . . . . . . . . . . 6762 1 598 . 1 1 64 64 ALA HA H 1 4.018 0.02 . . . . . . . . . . 6762 1 599 . 1 1 64 64 ALA HB1 H 1 1.171 0.02 . . . . . . . . . . 6762 1 600 . 1 1 64 64 ALA HB2 H 1 1.171 0.02 . . . . . . . . . . 6762 1 601 . 1 1 64 64 ALA HB3 H 1 1.171 0.02 . . . . . . . . . . 6762 1 602 . 1 1 64 64 ALA CA C 13 52.766 0.05 . . . . . . . . . . 6762 1 603 . 1 1 64 64 ALA CB C 13 18.780 0.05 . . . . . . . . . . 6762 1 604 . 1 1 64 64 ALA N N 15 125.531 0.05 . . . . . . . . . . 6762 1 605 . 1 1 65 65 ASN H H 1 8.142 0.02 . . . . . . . . . . 6762 1 606 . 1 1 65 65 ASN HA H 1 4.500 0.02 . . . . . . . . . . 6762 1 607 . 1 1 65 65 ASN HB2 H 1 2.626 0.02 . . . . . . . . . . 6762 1 608 . 1 1 65 65 ASN HB3 H 1 2.491 0.02 . . . . . . . . . . 6762 1 609 . 1 1 65 65 ASN CA C 13 52.884 0.05 . . . . . . . . . . 6762 1 610 . 1 1 65 65 ASN CB C 13 39.052 0.05 . . . . . . . . . . 6762 1 611 . 1 1 65 65 ASN N N 15 118.650 0.05 . . . . . . . . . . 6762 1 612 . 1 1 65 65 ASN HD21 H 1 7.452 0.02 . . . . . . . . . . 6762 1 613 . 1 1 65 65 ASN HD22 H 1 6.733 0.02 . . . . . . . . . . 6762 1 614 . 1 1 66 66 GLY H H 1 7.703 0.02 . . . . . . . . . . 6762 1 615 . 1 1 66 66 GLY HA2 H 1 3.516 0.02 . . . . . . . . . . 6762 1 616 . 1 1 66 66 GLY HA3 H 1 3.516 0.02 . . . . . . . . . . 6762 1 617 . 1 1 66 66 GLY CA C 13 45.919 0.05 . . . . . . . . . . 6762 1 618 . 1 1 66 66 GLY N N 15 116.360 0.05 . . . . . . . . . . 6762 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6762 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_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 . . 2 $sample_2 . 6762 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS H H 1 8.471 0.02 . . . . . . . . . . 6762 2 2 . 1 1 3 3 HIS HA H 1 4.410 0.02 . . . . . . . . . . 6762 2 3 . 1 1 3 3 HIS HB2 H 1 2.946 0.02 . . . . . . . . . . 6762 2 4 . 1 1 3 3 HIS HB3 H 1 2.859 0.02 . . . . . . . . . . 6762 2 5 . 1 1 3 3 HIS CB C 13 29.540 0.05 . . . . . . . . . . 6762 2 6 . 1 1 3 3 HIS N N 15 121.938 0.05 . . . . . . . . . . 6762 2 7 . 1 1 4 4 GLU H H 1 8.377 0.02 . . . . . . . . . . 6762 2 8 . 1 1 4 4 GLU HA H 1 4.012 0.02 . . . . . . . . . . 6762 2 9 . 1 1 4 4 GLU HB2 H 1 2.001 0.02 . . . . . . . . . . 6762 2 10 . 1 1 4 4 GLU HG2 H 1 1.754 0.02 . . . . . . . . . . 6762 2 11 . 1 1 4 4 GLU HG3 H 1 1.754 0.02 . . . . . . . . . . 6762 2 12 . 1 1 4 4 GLU CA C 13 56.144 0.05 . . . . . . . . . . 6762 2 13 . 1 1 4 4 GLU CB C 13 29.959 0.05 . . . . . . . . . . 6762 2 14 . 1 1 4 4 GLU N N 15 123.250 0.05 . . . . . . . . . . 6762 2 15 . 1 1 5 5 LEU H H 1 7.908 0.02 . . . . . . . . . . 6762 2 16 . 1 1 5 5 LEU HA H 1 3.830 0.02 . . . . . . . . . . 6762 2 17 . 1 1 5 5 LEU HB2 H 1 0.960 0.02 . . . . . . . . . . 6762 2 18 . 1 1 5 5 LEU HB3 H 1 0.960 0.02 . . . . . . . . . . 6762 2 19 . 1 1 5 5 LEU HG H 1 0.433 0.02 . . . . . . . . . . 6762 2 20 . 1 1 5 5 LEU HD11 H 1 0.178 0.02 . . . . . . . . . . 6762 2 21 . 1 1 5 5 LEU HD12 H 1 0.178 0.02 . . . . . . . . . . 6762 2 22 . 1 1 5 5 LEU HD13 H 1 0.178 0.02 . . . . . . . . . . 6762 2 23 . 1 1 5 5 LEU HD21 H 1 -0.064 0.02 . . . . . . . . . . 6762 2 24 . 1 1 5 5 LEU HD22 H 1 -0.064 0.02 . . . . . . . . . . 6762 2 25 . 1 1 5 5 LEU HD23 H 1 -0.064 0.02 . . . . . . . . . . 6762 2 26 . 1 1 5 5 LEU CA C 13 54.534 0.05 . . . . . . . . . . 6762 2 27 . 1 1 5 5 LEU CB C 13 41.867 0.05 . . . . . . . . . . 6762 2 28 . 1 1 5 5 LEU N N 15 127.188 0.05 . . . . . . . . . . 6762 2 29 . 1 1 6 6 GLN H H 1 8.310 0.02 . . . . . . . . . . 6762 2 30 . 1 1 6 6 GLN HA H 1 4.453 0.02 . . . . . . . . . . 6762 2 31 . 1 1 6 6 GLN HB2 H 1 1.692 0.02 . . . . . . . . . . 6762 2 32 . 1 1 6 6 GLN HB3 H 1 1.692 0.02 . . . . . . . . . . 6762 2 33 . 1 1 6 6 GLN HG2 H 1 2.182 0.02 . . . . . . . . . . 6762 2 34 . 1 1 6 6 GLN HG3 H 1 2.134 0.02 . . . . . . . . . . 6762 2 35 . 1 1 6 6 GLN HE21 H 1 7.321 0.02 . . . . . . . . . . 6762 2 36 . 1 1 6 6 GLN HE22 H 1 6.733 0.02 . . . . . . . . . . 6762 2 37 . 1 1 6 6 GLN CA C 13 53.047 0.05 . . . . . . . . . . 6762 2 38 . 1 1 6 6 GLN N N 15 121.938 0.05 . . . . . . . . . . 6762 2 39 . 1 1 7 7 PRO HA H 1 4.212 0.02 . . . . . . . . . . 6762 2 40 . 1 1 7 7 PRO HB2 H 1 2.214 0.02 . . . . . . . . . . 6762 2 41 . 1 1 7 7 PRO HB3 H 1 1.999 0.02 . . . . . . . . . . 6762 2 42 . 1 1 7 7 PRO HG2 H 1 1.890 0.02 . . . . . . . . . . 6762 2 43 . 1 1 7 7 PRO HG3 H 1 1.814 0.02 . . . . . . . . . . 6762 2 44 . 1 1 7 7 PRO HD2 H 1 3.707 0.02 . . . . . . . . . . 6762 2 45 . 1 1 7 7 PRO HD3 H 1 3.649 0.02 . . . . . . . . . . 6762 2 46 . 1 1 7 7 PRO CB C 13 32.178 0.05 . . . . . . . . . . 6762 2 47 . 1 1 8 8 ASP H H 1 7.809 0.02 . . . . . . . . . . 6762 2 48 . 1 1 8 8 ASP HA H 1 4.648 0.02 . . . . . . . . . . 6762 2 49 . 1 1 8 8 ASP HB2 H 1 2.552 0.02 . . . . . . . . . . 6762 2 50 . 1 1 8 8 ASP HB3 H 1 2.458 0.02 . . . . . . . . . . 6762 2 51 . 1 1 8 8 ASP CA C 13 52.731 0.05 . . . . . . . . . . 6762 2 52 . 1 1 8 8 ASP CB C 13 39.406 0.05 . . . . . . . . . . 6762 2 53 . 1 1 8 8 ASP N N 15 111.438 0.05 . . . . . . . . . . 6762 2 54 . 1 1 9 9 SER H H 1 7.889 0.02 . . . . . . . . . . 6762 2 55 . 1 1 9 9 SER HA H 1 4.045 0.02 . . . . . . . . . . 6762 2 56 . 1 1 9 9 SER HB2 H 1 3.619 0.02 . . . . . . . . . . 6762 2 57 . 1 1 9 9 SER HB3 H 1 3.571 0.02 . . . . . . . . . . 6762 2 58 . 1 1 9 9 SER CA C 13 60.330 0.05 . . . . . . . . . . 6762 2 59 . 1 1 9 9 SER CB C 13 63.253 0.05 . . . . . . . . . . 6762 2 60 . 1 1 9 9 SER N N 15 119.312 0.05 . . . . . . . . . . 6762 2 61 . 1 1 10 10 LEU H H 1 8.326 0.02 . . . . . . . . . . 6762 2 62 . 1 1 10 10 LEU HA H 1 5.011 0.02 . . . . . . . . . . 6762 2 63 . 1 1 10 10 LEU HB2 H 1 1.591 0.02 . . . . . . . . . . 6762 2 64 . 1 1 10 10 LEU HB3 H 1 1.591 0.02 . . . . . . . . . . 6762 2 65 . 1 1 10 10 LEU HG H 1 1.485 0.02 . . . . . . . . . . 6762 2 66 . 1 1 10 10 LEU CA C 13 53.300 0.05 . . . . . . . . . . 6762 2 67 . 1 1 10 10 LEU CB C 13 43.021 0.05 . . . . . . . . . . 6762 2 68 . 1 1 10 10 LEU N N 15 123.906 0.05 . . . . . . . . . . 6762 2 69 . 1 1 11 11 VAL H H 1 9.625 0.02 . . . . . . . . . . 6762 2 70 . 1 1 11 11 VAL HA H 1 4.601 0.02 . . . . . . . . . . 6762 2 71 . 1 1 11 11 VAL HB H 1 1.750 0.02 . . . . . . . . . . 6762 2 72 . 1 1 11 11 VAL HG11 H 1 0.598 0.02 . . . . . . . . . . 6762 2 73 . 1 1 11 11 VAL HG12 H 1 0.598 0.02 . . . . . . . . . . 6762 2 74 . 1 1 11 11 VAL HG13 H 1 0.598 0.02 . . . . . . . . . . 6762 2 75 . 1 1 11 11 VAL HG21 H 1 0.598 0.02 . . . . . . . . . . 6762 2 76 . 1 1 11 11 VAL HG22 H 1 0.598 0.02 . . . . . . . . . . 6762 2 77 . 1 1 11 11 VAL HG23 H 1 0.598 0.02 . . . . . . . . . . 6762 2 78 . 1 1 11 11 VAL CA C 13 58.302 0.05 . . . . . . . . . . 6762 2 79 . 1 1 11 11 VAL CB C 13 34.368 0.05 . . . . . . . . . . 6762 2 80 . 1 1 11 11 VAL N N 15 118.656 0.05 . . . . . . . . . . 6762 2 81 . 1 1 12 12 ASP H H 1 7.785 0.02 . . . . . . . . . . 6762 2 82 . 1 1 12 12 ASP HA H 1 5.280 0.02 . . . . . . . . . . 6762 2 83 . 1 1 12 12 ASP HB2 H 1 3.255 0.02 . . . . . . . . . . 6762 2 84 . 1 1 12 12 ASP HB3 H 1 3.255 0.02 . . . . . . . . . . 6762 2 85 . 1 1 12 12 ASP CA C 13 50.774 0.05 . . . . . . . . . . 6762 2 86 . 1 1 12 12 ASP CB C 13 43.060 0.05 . . . . . . . . . . 6762 2 87 . 1 1 12 12 ASP N N 15 121.281 0.05 . . . . . . . . . . 6762 2 88 . 1 1 13 13 LEU H H 1 8.981 0.02 . . . . . . . . . . 6762 2 89 . 1 1 13 13 LEU HA H 1 3.720 0.02 . . . . . . . . . . 6762 2 90 . 1 1 13 13 LEU HB2 H 1 1.724 0.02 . . . . . . . . . . 6762 2 91 . 1 1 13 13 LEU HB3 H 1 1.724 0.02 . . . . . . . . . . 6762 2 92 . 1 1 13 13 LEU HG H 1 1.804 0.02 . . . . . . . . . . 6762 2 93 . 1 1 13 13 LEU HD11 H 1 0.880 0.02 . . . . . . . . . . 6762 2 94 . 1 1 13 13 LEU HD12 H 1 0.880 0.02 . . . . . . . . . . 6762 2 95 . 1 1 13 13 LEU HD13 H 1 0.880 0.02 . . . . . . . . . . 6762 2 96 . 1 1 13 13 LEU HD21 H 1 0.880 0.02 . . . . . . . . . . 6762 2 97 . 1 1 13 13 LEU HD22 H 1 0.880 0.02 . . . . . . . . . . 6762 2 98 . 1 1 13 13 LEU HD23 H 1 0.880 0.02 . . . . . . . . . . 6762 2 99 . 1 1 13 13 LEU CA C 13 57.725 0.05 . . . . . . . . . . 6762 2 100 . 1 1 13 13 LEU CB C 13 41.742 0.05 . . . . . . . . . . 6762 2 101 . 1 1 13 13 LEU N N 15 121.938 0.05 . . . . . . . . . . 6762 2 102 . 1 1 14 14 LYS H H 1 7.814 0.02 . . . . . . . . . . 6762 2 103 . 1 1 14 14 LYS HA H 1 3.719 0.02 . . . . . . . . . . 6762 2 104 . 1 1 14 14 LYS HB2 H 1 1.750 0.02 . . . . . . . . . . 6762 2 105 . 1 1 14 14 LYS HB3 H 1 1.750 0.02 . . . . . . . . . . 6762 2 106 . 1 1 14 14 LYS HG2 H 1 1.689 0.02 . . . . . . . . . . 6762 2 107 . 1 1 14 14 LYS HG3 H 1 1.689 0.02 . . . . . . . . . . 6762 2 108 . 1 1 14 14 LYS HD2 H 1 1.572 0.02 . . . . . . . . . . 6762 2 109 . 1 1 14 14 LYS HD3 H 1 1.572 0.02 . . . . . . . . . . 6762 2 110 . 1 1 14 14 LYS CA C 13 59.726 0.05 . . . . . . . . . . 6762 2 111 . 1 1 14 14 LYS CB C 13 31.207 0.05 . . . . . . . . . . 6762 2 112 . 1 1 14 14 LYS N N 15 117.344 0.05 . . . . . . . . . . 6762 2 113 . 1 1 15 15 PHE H H 1 8.089 0.02 . . . . . . . . . . 6762 2 114 . 1 1 15 15 PHE HA H 1 3.859 0.02 . . . . . . . . . . 6762 2 115 . 1 1 15 15 PHE HB2 H 1 3.252 0.02 . . . . . . . . . . 6762 2 116 . 1 1 15 15 PHE HB3 H 1 3.122 0.02 . . . . . . . . . . 6762 2 117 . 1 1 15 15 PHE HD1 H 1 6.640 0.02 . . . . . . . . . . 6762 2 118 . 1 1 15 15 PHE HD2 H 1 6.640 0.02 . . . . . . . . . . 6762 2 119 . 1 1 15 15 PHE HE1 H 1 6.712 0.02 . . . . . . . . . . 6762 2 120 . 1 1 15 15 PHE HE2 H 1 6.712 0.02 . . . . . . . . . . 6762 2 121 . 1 1 15 15 PHE HZ H 1 6.940 0.02 . . . . . . . . . . 6762 2 122 . 1 1 15 15 PHE CA C 13 61.722 0.05 . . . . . . . . . . 6762 2 123 . 1 1 15 15 PHE CB C 13 39.021 0.05 . . . . . . . . . . 6762 2 124 . 1 1 15 15 PHE N N 15 123.906 0.05 . . . . . . . . . . 6762 2 125 . 1 1 16 16 ILE H H 1 7.821 0.02 . . . . . . . . . . 6762 2 126 . 1 1 16 16 ILE HA H 1 3.128 0.02 . . . . . . . . . . 6762 2 127 . 1 1 16 16 ILE HB H 1 1.481 0.02 . . . . . . . . . . 6762 2 128 . 1 1 16 16 ILE HG12 H 1 1.577 0.02 . . . . . . . . . . 6762 2 129 . 1 1 16 16 ILE HG13 H 1 1.027 0.02 . . . . . . . . . . 6762 2 130 . 1 1 16 16 ILE HG21 H 1 0.771 0.02 . . . . . . . . . . 6762 2 131 . 1 1 16 16 ILE HG22 H 1 0.771 0.02 . . . . . . . . . . 6762 2 132 . 1 1 16 16 ILE HG23 H 1 0.771 0.02 . . . . . . . . . . 6762 2 133 . 1 1 16 16 ILE HD11 H 1 -0.227 0.02 . . . . . . . . . . 6762 2 134 . 1 1 16 16 ILE HD12 H 1 -0.227 0.02 . . . . . . . . . . 6762 2 135 . 1 1 16 16 ILE HD13 H 1 -0.227 0.02 . . . . . . . . . . 6762 2 136 . 1 1 16 16 ILE CA C 13 65.931 0.05 . . . . . . . . . . 6762 2 137 . 1 1 16 16 ILE CB C 13 37.967 0.05 . . . . . . . . . . 6762 2 138 . 1 1 16 16 ILE N N 15 122.594 0.05 . . . . . . . . . . 6762 2 139 . 1 1 17 17 MET H H 1 8.630 0.02 . . . . . . . . . . 6762 2 140 . 1 1 17 17 MET HA H 1 3.771 0.02 . . . . . . . . . . 6762 2 141 . 1 1 17 17 MET HB2 H 1 1.821 0.02 . . . . . . . . . . 6762 2 142 . 1 1 17 17 MET HB3 H 1 1.821 0.02 . . . . . . . . . . 6762 2 143 . 1 1 17 17 MET HG2 H 1 2.265 0.02 . . . . . . . . . . 6762 2 144 . 1 1 17 17 MET HG3 H 1 2.265 0.02 . . . . . . . . . . 6762 2 145 . 1 1 17 17 MET CA C 13 59.782 0.05 . . . . . . . . . . 6762 2 146 . 1 1 17 17 MET N N 15 121.281 0.05 . . . . . . . . . . 6762 2 147 . 1 1 18 18 ALA H H 1 7.874 0.02 . . . . . . . . . . 6762 2 148 . 1 1 18 18 ALA HA H 1 3.858 0.02 . . . . . . . . . . 6762 2 149 . 1 1 18 18 ALA HB1 H 1 1.138 0.02 . . . . . . . . . . 6762 2 150 . 1 1 18 18 ALA HB2 H 1 1.138 0.02 . . . . . . . . . . 6762 2 151 . 1 1 18 18 ALA HB3 H 1 1.138 0.02 . . . . . . . . . . 6762 2 152 . 1 1 18 18 ALA CA C 13 54.446 0.05 . . . . . . . . . . 6762 2 153 . 1 1 18 18 ALA CB C 13 17.563 0.05 . . . . . . . . . . 6762 2 154 . 1 1 18 18 ALA N N 15 123.906 0.05 . . . . . . . . . . 6762 2 155 . 1 1 19 19 ASP H H 1 8.184 0.02 . . . . . . . . . . 6762 2 156 . 1 1 19 19 ASP HA H 1 4.107 0.02 . . . . . . . . . . 6762 2 157 . 1 1 19 19 ASP HB2 H 1 1.984 0.02 . . . . . . . . . . 6762 2 158 . 1 1 19 19 ASP HB3 H 1 1.984 0.02 . . . . . . . . . . 6762 2 159 . 1 1 19 19 ASP CA C 13 55.882 0.05 . . . . . . . . . . 6762 2 160 . 1 1 19 19 ASP CB C 13 43.158 0.05 . . . . . . . . . . 6762 2 161 . 1 1 19 19 ASP N N 15 116.688 0.05 . . . . . . . . . . 6762 2 162 . 1 1 20 20 THR H H 1 7.142 0.02 . . . . . . . . . . 6762 2 163 . 1 1 20 20 THR HA H 1 3.831 0.02 . . . . . . . . . . 6762 2 164 . 1 1 20 20 THR HB H 1 3.773 0.02 . . . . . . . . . . 6762 2 165 . 1 1 20 20 THR HG21 H 1 0.951 0.02 . . . . . . . . . . 6762 2 166 . 1 1 20 20 THR HG22 H 1 0.951 0.02 . . . . . . . . . . 6762 2 167 . 1 1 20 20 THR HG23 H 1 0.951 0.02 . . . . . . . . . . 6762 2 168 . 1 1 20 20 THR CA C 13 61.409 0.05 . . . . . . . . . . 6762 2 169 . 1 1 20 20 THR CB C 13 70.916 0.05 . . . . . . . . . . 6762 2 170 . 1 1 20 20 THR N N 15 103.562 0.05 . . . . . . . . . . 6762 2 171 . 1 1 21 21 GLY H H 1 7.912 0.02 . . . . . . . . . . 6762 2 172 . 1 1 21 21 GLY HA2 H 1 3.694 0.02 . . . . . . . . . . 6762 2 173 . 1 1 21 21 GLY HA3 H 1 3.445 0.02 . . . . . . . . . . 6762 2 174 . 1 1 21 21 GLY CA C 13 45.256 0.05 . . . . . . . . . . 6762 2 175 . 1 1 21 21 GLY N N 15 112.096 0.05 . . . . . . . . . . 6762 2 176 . 1 1 22 22 PHE H H 1 7.633 0.02 . . . . . . . . . . 6762 2 177 . 1 1 22 22 PHE HA H 1 4.539 0.02 . . . . . . . . . . 6762 2 178 . 1 1 22 22 PHE HB2 H 1 3.024 0.02 . . . . . . . . . . 6762 2 179 . 1 1 22 22 PHE HB3 H 1 2.655 0.02 . . . . . . . . . . 6762 2 180 . 1 1 22 22 PHE HD1 H 1 6.561 0.02 . . . . . . . . . . 6762 2 181 . 1 1 22 22 PHE HD2 H 1 6.561 0.02 . . . . . . . . . . 6762 2 182 . 1 1 22 22 PHE HE1 H 1 6.648 0.02 . . . . . . . . . . 6762 2 183 . 1 1 22 22 PHE HE2 H 1 6.648 0.02 . . . . . . . . . . 6762 2 184 . 1 1 22 22 PHE HZ H 1 6.759 0.02 . . . . . . . . . . 6762 2 185 . 1 1 22 22 PHE CA C 13 54.851 0.05 . . . . . . . . . . 6762 2 186 . 1 1 22 22 PHE CB C 13 40.622 0.05 . . . . . . . . . . 6762 2 187 . 1 1 22 22 PHE N N 15 120.625 0.05 . . . . . . . . . . 6762 2 188 . 1 1 23 23 GLY H H 1 8.270 0.02 . . . . . . . . . . 6762 2 189 . 1 1 23 23 GLY HA2 H 1 4.130 0.02 . . . . . . . . . . 6762 2 190 . 1 1 23 23 GLY HA3 H 1 4.130 0.02 . . . . . . . . . . 6762 2 191 . 1 1 23 23 GLY CA C 13 43.574 0.05 . . . . . . . . . . 6762 2 192 . 1 1 23 23 GLY N N 15 106.847 0.05 . . . . . . . . . . 6762 2 193 . 1 1 24 24 LYS H H 1 8.377 0.02 . . . . . . . . . . 6762 2 194 . 1 1 24 24 LYS HA H 1 3.486 0.02 . . . . . . . . . . 6762 2 195 . 1 1 24 24 LYS HB2 H 1 1.660 0.02 . . . . . . . . . . 6762 2 196 . 1 1 24 24 LYS HB3 H 1 1.660 0.02 . . . . . . . . . . 6762 2 197 . 1 1 24 24 LYS HG2 H 1 1.557 0.02 . . . . . . . . . . 6762 2 198 . 1 1 24 24 LYS HG3 H 1 1.557 0.02 . . . . . . . . . . 6762 2 199 . 1 1 24 24 LYS CA C 13 60.636 0.05 . . . . . . . . . . 6762 2 200 . 1 1 24 24 LYS CB C 13 32.425 0.05 . . . . . . . . . . 6762 2 201 . 1 1 24 24 LYS N N 15 121.281 0.05 . . . . . . . . . . 6762 2 202 . 1 1 25 25 THR H H 1 8.248 0.02 . . . . . . . . . . 6762 2 203 . 1 1 25 25 THR HA H 1 3.642 0.02 . . . . . . . . . . 6762 2 204 . 1 1 25 25 THR HB H 1 3.958 0.02 . . . . . . . . . . 6762 2 205 . 1 1 25 25 THR HG21 H 1 1.050 0.02 . . . . . . . . . . 6762 2 206 . 1 1 25 25 THR HG22 H 1 1.050 0.02 . . . . . . . . . . 6762 2 207 . 1 1 25 25 THR HG23 H 1 1.050 0.02 . . . . . . . . . . 6762 2 208 . 1 1 25 25 THR CA C 13 66.268 0.05 . . . . . . . . . . 6762 2 209 . 1 1 25 25 THR CB C 13 67.948 0.05 . . . . . . . . . . 6762 2 210 . 1 1 25 25 THR N N 15 114.719 0.05 . . . . . . . . . . 6762 2 211 . 1 1 26 26 PHE H H 1 7.551 0.02 . . . . . . . . . . 6762 2 212 . 1 1 26 26 PHE HA H 1 4.003 0.02 . . . . . . . . . . 6762 2 213 . 1 1 26 26 PHE HB2 H 1 2.924 0.02 . . . . . . . . . . 6762 2 214 . 1 1 26 26 PHE HB3 H 1 2.924 0.02 . . . . . . . . . . 6762 2 215 . 1 1 26 26 PHE HD1 H 1 6.652 0.02 . . . . . . . . . . 6762 2 216 . 1 1 26 26 PHE HD2 H 1 6.652 0.02 . . . . . . . . . . 6762 2 217 . 1 1 26 26 PHE HE1 H 1 6.360 0.02 . . . . . . . . . . 6762 2 218 . 1 1 26 26 PHE HE2 H 1 6.360 0.02 . . . . . . . . . . 6762 2 219 . 1 1 26 26 PHE HZ H 1 6.564 0.02 . . . . . . . . . . 6762 2 220 . 1 1 26 26 PHE CA C 13 61.153 0.05 . . . . . . . . . . 6762 2 221 . 1 1 26 26 PHE CB C 13 39.093 0.05 . . . . . . . . . . 6762 2 222 . 1 1 26 26 PHE N N 15 124.562 0.05 . . . . . . . . . . 6762 2 223 . 1 1 27 27 ILE H H 1 7.837 0.02 . . . . . . . . . . 6762 2 224 . 1 1 27 27 ILE HA H 1 3.075 0.02 . . . . . . . . . . 6762 2 225 . 1 1 27 27 ILE HB H 1 1.641 0.02 . . . . . . . . . . 6762 2 226 . 1 1 27 27 ILE HG12 H 1 1.080 0.02 . . . . . . . . . . 6762 2 227 . 1 1 27 27 ILE HG13 H 1 1.080 0.02 . . . . . . . . . . 6762 2 228 . 1 1 27 27 ILE HG21 H 1 0.101 0.02 . . . . . . . . . . 6762 2 229 . 1 1 27 27 ILE HG22 H 1 0.101 0.02 . . . . . . . . . . 6762 2 230 . 1 1 27 27 ILE HG23 H 1 0.101 0.02 . . . . . . . . . . 6762 2 231 . 1 1 27 27 ILE HD11 H 1 0.574 0.02 . . . . . . . . . . 6762 2 232 . 1 1 27 27 ILE HD12 H 1 0.574 0.02 . . . . . . . . . . 6762 2 233 . 1 1 27 27 ILE HD13 H 1 0.574 0.02 . . . . . . . . . . 6762 2 234 . 1 1 27 27 ILE CA C 13 65.027 0.05 . . . . . . . . . . 6762 2 235 . 1 1 27 27 ILE CB C 13 36.265 0.05 . . . . . . . . . . 6762 2 236 . 1 1 27 27 ILE N N 15 120.625 0.05 . . . . . . . . . . 6762 2 237 . 1 1 28 28 TYR H H 1 8.449 0.02 . . . . . . . . . . 6762 2 238 . 1 1 28 28 TYR HA H 1 4.013 0.02 . . . . . . . . . . 6762 2 239 . 1 1 28 28 TYR HB2 H 1 2.945 0.02 . . . . . . . . . . 6762 2 240 . 1 1 28 28 TYR HB3 H 1 2.856 0.02 . . . . . . . . . . 6762 2 241 . 1 1 28 28 TYR HD1 H 1 6.992 0.02 . . . . . . . . . . 6762 2 242 . 1 1 28 28 TYR HD2 H 1 6.992 0.02 . . . . . . . . . . 6762 2 243 . 1 1 28 28 TYR HE1 H 1 6.643 0.02 . . . . . . . . . . 6762 2 244 . 1 1 28 28 TYR HE2 H 1 6.643 0.02 . . . . . . . . . . 6762 2 245 . 1 1 28 28 TYR CA C 13 61.222 0.05 . . . . . . . . . . 6762 2 246 . 1 1 28 28 TYR CB C 13 36.090 0.05 . . . . . . . . . . 6762 2 247 . 1 1 28 28 TYR N N 15 119.312 0.05 . . . . . . . . . . 6762 2 248 . 1 1 29 29 ASP HB3 H 1 2.270 0.02 . . . . . . . . . . 6762 2 249 . 1 1 29 29 ASP H H 1 8.356 0.02 . . . . . . . . . . 6762 2 250 . 1 1 29 29 ASP HA H 1 4.235 0.02 . . . . . . . . . . 6762 2 251 . 1 1 29 29 ASP HB2 H 1 2.612 0.02 . . . . . . . . . . 6762 2 252 . 1 1 29 29 ASP CA C 13 57.270 0.05 . . . . . . . . . . 6762 2 253 . 1 1 29 29 ASP CB C 13 39.541 0.05 . . . . . . . . . . 6762 2 254 . 1 1 29 29 ASP N N 15 123.906 0.05 . . . . . . . . . . 6762 2 255 . 1 1 30 30 ARG H H 1 7.793 0.02 . . . . . . . . . . 6762 2 256 . 1 1 30 30 ARG HA H 1 4.152 0.02 . . . . . . . . . . 6762 2 257 . 1 1 30 30 ARG HB2 H 1 1.820 0.02 . . . . . . . . . . 6762 2 258 . 1 1 30 30 ARG HB3 H 1 1.820 0.02 . . . . . . . . . . 6762 2 259 . 1 1 30 30 ARG HG2 H 1 1.495 0.02 . . . . . . . . . . 6762 2 260 . 1 1 30 30 ARG HG3 H 1 1.495 0.02 . . . . . . . . . . 6762 2 261 . 1 1 30 30 ARG HD2 H 1 2.792 0.02 . . . . . . . . . . 6762 2 262 . 1 1 30 30 ARG HD3 H 1 2.792 0.02 . . . . . . . . . . 6762 2 263 . 1 1 30 30 ARG HE H 1 6.637 0.02 . . . . . . . . . . 6762 2 264 . 1 1 30 30 ARG CA C 13 56.452 0.05 . . . . . . . . . . 6762 2 265 . 1 1 30 30 ARG CB C 13 29.640 0.05 . . . . . . . . . . 6762 2 266 . 1 1 30 30 ARG N N 15 121.938 0.05 . . . . . . . . . . 6762 2 267 . 1 1 31 31 ILE H H 1 7.909 0.02 . . . . . . . . . . 6762 2 268 . 1 1 31 31 ILE HA H 1 4.236 0.02 . . . . . . . . . . 6762 2 269 . 1 1 31 31 ILE HB H 1 1.307 0.02 . . . . . . . . . . 6762 2 270 . 1 1 31 31 ILE HG12 H 1 0.209 0.02 . . . . . . . . . . 6762 2 271 . 1 1 31 31 ILE HG13 H 1 -0.630 0.02 . . . . . . . . . . 6762 2 272 . 1 1 31 31 ILE HG21 H 1 -0.037 0.02 . . . . . . . . . . 6762 2 273 . 1 1 31 31 ILE HG22 H 1 -0.037 0.02 . . . . . . . . . . 6762 2 274 . 1 1 31 31 ILE HG23 H 1 -0.037 0.02 . . . . . . . . . . 6762 2 275 . 1 1 31 31 ILE HD11 H 1 0.660 0.02 . . . . . . . . . . 6762 2 276 . 1 1 31 31 ILE HD12 H 1 0.660 0.02 . . . . . . . . . . 6762 2 277 . 1 1 31 31 ILE HD13 H 1 0.660 0.02 . . . . . . . . . . 6762 2 278 . 1 1 31 31 ILE CA C 13 63.884 0.05 . . . . . . . . . . 6762 2 279 . 1 1 31 31 ILE CB C 13 38.103 0.05 . . . . . . . . . . 6762 2 280 . 1 1 31 31 ILE N N 15 124.562 0.05 . . . . . . . . . . 6762 2 281 . 1 1 32 32 LYS H H 1 7.625 0.02 . . . . . . . . . . 6762 2 282 . 1 1 32 32 LYS HA H 1 3.807 0.02 . . . . . . . . . . 6762 2 283 . 1 1 32 32 LYS HB2 H 1 1.810 0.02 . . . . . . . . . . 6762 2 284 . 1 1 32 32 LYS HB3 H 1 1.757 0.02 . . . . . . . . . . 6762 2 285 . 1 1 32 32 LYS HG2 H 1 1.362 0.02 . . . . . . . . . . 6762 2 286 . 1 1 32 32 LYS HG3 H 1 1.221 0.02 . . . . . . . . . . 6762 2 287 . 1 1 32 32 LYS HD2 H 1 1.494 0.02 . . . . . . . . . . 6762 2 288 . 1 1 32 32 LYS HD3 H 1 1.494 0.02 . . . . . . . . . . 6762 2 289 . 1 1 32 32 LYS CA C 13 59.454 0.05 . . . . . . . . . . 6762 2 290 . 1 1 32 32 LYS CB C 13 31.431 0.05 . . . . . . . . . . 6762 2 291 . 1 1 32 32 LYS N N 15 123.906 0.05 . . . . . . . . . . 6762 2 292 . 1 1 33 33 SER H H 1 7.574 0.02 . . . . . . . . . . 6762 2 293 . 1 1 33 33 SER HA H 1 4.127 0.02 . . . . . . . . . . 6762 2 294 . 1 1 33 33 SER HB2 H 1 3.770 0.02 . . . . . . . . . . 6762 2 295 . 1 1 33 33 SER HB3 H 1 3.597 0.02 . . . . . . . . . . 6762 2 296 . 1 1 33 33 SER CA C 13 59.210 0.05 . . . . . . . . . . 6762 2 297 . 1 1 33 33 SER CB C 13 63.603 0.05 . . . . . . . . . . 6762 2 298 . 1 1 33 33 SER N N 15 112.094 0.05 . . . . . . . . . . 6762 2 299 . 1 1 34 34 GLY H H 1 7.439 0.02 . . . . . . . . . . 6762 2 300 . 1 1 34 34 GLY HA2 H 1 3.994 0.02 . . . . . . . . . . 6762 2 301 . 1 1 34 34 GLY HA3 H 1 3.994 0.02 . . . . . . . . . . 6762 2 302 . 1 1 34 34 GLY CA C 13 45.083 0.05 . . . . . . . . . . 6762 2 303 . 1 1 34 34 GLY N N 15 110.128 0.05 . . . . . . . . . . 6762 2 304 . 1 1 35 35 ASP H H 1 8.040 0.02 . . . . . . . . . . 6762 2 305 . 1 1 35 35 ASP HA H 1 4.240 0.02 . . . . . . . . . . 6762 2 306 . 1 1 35 35 ASP HB2 H 1 2.604 0.02 . . . . . . . . . . 6762 2 307 . 1 1 35 35 ASP HB3 H 1 2.252 0.02 . . . . . . . . . . 6762 2 308 . 1 1 35 35 ASP CA C 13 56.025 0.05 . . . . . . . . . . 6762 2 309 . 1 1 35 35 ASP CB C 13 51.091 0.05 . . . . . . . . . . 6762 2 310 . 1 1 35 35 ASP N N 15 121.281 0.05 . . . . . . . . . . 6762 2 311 . 1 1 36 36 LEU H H 1 6.743 0.02 . . . . . . . . . . 6762 2 312 . 1 1 36 36 LEU HA H 1 4.439 0.02 . . . . . . . . . . 6762 2 313 . 1 1 36 36 LEU HB2 H 1 1.344 0.02 . . . . . . . . . . 6762 2 314 . 1 1 36 36 LEU HB3 H 1 1.344 0.02 . . . . . . . . . . 6762 2 315 . 1 1 36 36 LEU HG H 1 0.622 0.02 . . . . . . . . . . 6762 2 316 . 1 1 36 36 LEU HD11 H 1 -0.046 0.02 . . . . . . . . . . 6762 2 317 . 1 1 36 36 LEU HD12 H 1 -0.046 0.02 . . . . . . . . . . 6762 2 318 . 1 1 36 36 LEU HD13 H 1 -0.046 0.02 . . . . . . . . . . 6762 2 319 . 1 1 36 36 LEU HD21 H 1 -0.046 0.02 . . . . . . . . . . 6762 2 320 . 1 1 36 36 LEU HD22 H 1 -0.046 0.02 . . . . . . . . . . 6762 2 321 . 1 1 36 36 LEU HD23 H 1 -0.046 0.02 . . . . . . . . . . 6762 2 322 . 1 1 36 36 LEU N N 15 122.594 0.05 . . . . . . . . . . 6762 2 323 . 1 1 37 37 PRO HA H 1 4.193 0.02 . . . . . . . . . . 6762 2 324 . 1 1 37 37 PRO HB2 H 1 1.671 0.02 . . . . . . . . . . 6762 2 325 . 1 1 37 37 PRO HB3 H 1 1.671 0.02 . . . . . . . . . . 6762 2 326 . 1 1 37 37 PRO HG2 H 1 1.923 0.02 . . . . . . . . . . 6762 2 327 . 1 1 37 37 PRO HG3 H 1 1.923 0.02 . . . . . . . . . . 6762 2 328 . 1 1 37 37 PRO HD2 H 1 3.848 0.02 . . . . . . . . . . 6762 2 329 . 1 1 37 37 PRO HD3 H 1 3.848 0.02 . . . . . . . . . . 6762 2 330 . 1 1 37 37 PRO CB C 13 32.685 0.05 . . . . . . . . . . 6762 2 331 . 1 1 38 38 LYS H H 1 7.843 0.02 . . . . . . . . . . 6762 2 332 . 1 1 38 38 LYS HA H 1 3.882 0.02 . . . . . . . . . . 6762 2 333 . 1 1 38 38 LYS HB2 H 1 1.533 0.02 . . . . . . . . . . 6762 2 334 . 1 1 38 38 LYS HB3 H 1 1.533 0.02 . . . . . . . . . . 6762 2 335 . 1 1 38 38 LYS HG2 H 1 1.286 0.02 . . . . . . . . . . 6762 2 336 . 1 1 38 38 LYS HG3 H 1 1.286 0.02 . . . . . . . . . . 6762 2 337 . 1 1 38 38 LYS HD2 H 1 2.750 0.02 . . . . . . . . . . 6762 2 338 . 1 1 38 38 LYS HD3 H 1 1.420 0.02 . . . . . . . . . . 6762 2 339 . 1 1 38 38 LYS CA C 13 56.675 0.05 . . . . . . . . . . 6762 2 340 . 1 1 38 38 LYS CB C 13 32.518 0.05 . . . . . . . . . . 6762 2 341 . 1 1 38 38 LYS N N 15 118.001 0.05 . . . . . . . . . . 6762 2 342 . 1 1 39 39 ALA H H 1 8.208 0.02 . . . . . . . . . . 6762 2 343 . 1 1 39 39 ALA HA H 1 2.428 0.02 . . . . . . . . . . 6762 2 344 . 1 1 39 39 ALA HB1 H 1 0.144 0.02 . . . . . . . . . . 6762 2 345 . 1 1 39 39 ALA HB2 H 1 0.144 0.02 . . . . . . . . . . 6762 2 346 . 1 1 39 39 ALA HB3 H 1 0.144 0.02 . . . . . . . . . . 6762 2 347 . 1 1 39 39 ALA CA C 13 52.026 0.05 . . . . . . . . . . 6762 2 348 . 1 1 39 39 ALA CB C 13 18.763 0.05 . . . . . . . . . . 6762 2 349 . 1 1 39 39 ALA N N 15 126.531 0.05 . . . . . . . . . . 6762 2 350 . 1 1 40 40 LYS H H 1 7.949 0.02 . . . . . . . . . . 6762 2 351 . 1 1 40 40 LYS HA H 1 4.018 0.02 . . . . . . . . . . 6762 2 352 . 1 1 40 40 LYS HB2 H 1 1.308 0.02 . . . . . . . . . . 6762 2 353 . 1 1 40 40 LYS HB3 H 1 1.308 0.02 . . . . . . . . . . 6762 2 354 . 1 1 40 40 LYS HG2 H 1 1.050 0.02 . . . . . . . . . . 6762 2 355 . 1 1 40 40 LYS HG3 H 1 1.050 0.02 . . . . . . . . . . 6762 2 356 . 1 1 40 40 LYS HD2 H 1 1.211 0.02 . . . . . . . . . . 6762 2 357 . 1 1 40 40 LYS HD3 H 1 1.211 0.02 . . . . . . . . . . 6762 2 358 . 1 1 40 40 LYS CA C 13 54.769 0.05 . . . . . . . . . . 6762 2 359 . 1 1 40 40 LYS CB C 13 33.229 0.05 . . . . . . . . . . 6762 2 360 . 1 1 40 40 LYS N N 15 123.250 0.05 . . . . . . . . . . 6762 2 361 . 1 1 41 41 VAL H H 1 8.358 0.02 . . . . . . . . . . 6762 2 362 . 1 1 41 41 VAL HA H 1 3.908 0.02 . . . . . . . . . . 6762 2 363 . 1 1 41 41 VAL HB H 1 1.592 0.02 . . . . . . . . . . 6762 2 364 . 1 1 41 41 VAL HG11 H 1 0.442 0.02 . . . . . . . . . . 6762 2 365 . 1 1 41 41 VAL HG12 H 1 0.442 0.02 . . . . . . . . . . 6762 2 366 . 1 1 41 41 VAL HG13 H 1 0.442 0.02 . . . . . . . . . . 6762 2 367 . 1 1 41 41 VAL HG21 H 1 0.353 0.02 . . . . . . . . . . 6762 2 368 . 1 1 41 41 VAL HG22 H 1 0.353 0.02 . . . . . . . . . . 6762 2 369 . 1 1 41 41 VAL HG23 H 1 0.353 0.02 . . . . . . . . . . 6762 2 370 . 1 1 41 41 VAL CA C 13 62.249 0.05 . . . . . . . . . . 6762 2 371 . 1 1 41 41 VAL CB C 13 30.231 0.05 . . . . . . . . . . 6762 2 372 . 1 1 41 41 VAL N N 15 126.531 0.05 . . . . . . . . . . 6762 2 373 . 1 1 42 42 ILE H H 1 8.392 0.02 . . . . . . . . . . 6762 2 374 . 1 1 42 42 ILE HA H 1 3.913 0.02 . . . . . . . . . . 6762 2 375 . 1 1 42 42 ILE HB H 1 1.302 0.02 . . . . . . . . . . 6762 2 376 . 1 1 42 42 ILE HG12 H 1 0.965 0.02 . . . . . . . . . . 6762 2 377 . 1 1 42 42 ILE HG13 H 1 0.965 0.02 . . . . . . . . . . 6762 2 378 . 1 1 42 42 ILE HG21 H 1 0.440 0.02 . . . . . . . . . . 6762 2 379 . 1 1 42 42 ILE HG22 H 1 0.440 0.02 . . . . . . . . . . 6762 2 380 . 1 1 42 42 ILE HG23 H 1 0.440 0.02 . . . . . . . . . . 6762 2 381 . 1 1 42 42 ILE HD11 H 1 0.695 0.02 . . . . . . . . . . 6762 2 382 . 1 1 42 42 ILE HD12 H 1 0.695 0.02 . . . . . . . . . . 6762 2 383 . 1 1 42 42 ILE HD13 H 1 0.695 0.02 . . . . . . . . . . 6762 2 384 . 1 1 42 42 ILE CA C 13 59.334 0.05 . . . . . . . . . . 6762 2 385 . 1 1 42 42 ILE CB C 13 39.504 0.05 . . . . . . . . . . 6762 2 386 . 1 1 42 42 ILE N N 15 131.125 0.05 . . . . . . . . . . 6762 2 387 . 1 1 43 43 HIS H H 1 9.561 0.02 . . . . . . . . . . 6762 2 388 . 1 1 43 43 HIS HA H 1 4.734 0.02 . . . . . . . . . . 6762 2 389 . 1 1 43 43 HIS HB2 H 1 2.965 0.02 . . . . . . . . . . 6762 2 390 . 1 1 43 43 HIS HB3 H 1 2.965 0.02 . . . . . . . . . . 6762 2 391 . 1 1 43 43 HIS CA C 13 55.932 0.05 . . . . . . . . . . 6762 2 392 . 1 1 43 43 HIS CB C 13 27.190 0.05 . . . . . . . . . . 6762 2 393 . 1 1 43 43 HIS N N 15 129.811 0.05 . . . . . . . . . . 6762 2 394 . 1 1 44 44 GLY H H 1 8.284 0.02 . . . . . . . . . . 6762 2 395 . 1 1 44 44 GLY HA2 H 1 3.884 0.02 . . . . . . . . . . 6762 2 396 . 1 1 44 44 GLY HA3 H 1 3.228 0.02 . . . . . . . . . . 6762 2 397 . 1 1 44 44 GLY CA C 13 45.266 0.05 . . . . . . . . . . 6762 2 398 . 1 1 44 44 GLY N N 15 103.567 0.05 . . . . . . . . . . 6762 2 399 . 1 1 45 45 ARG H H 1 7.414 0.02 . . . . . . . . . . 6762 2 400 . 1 1 45 45 ARG HA H 1 4.483 0.02 . . . . . . . . . . 6762 2 401 . 1 1 45 45 ARG HB2 H 1 1.584 0.02 . . . . . . . . . . 6762 2 402 . 1 1 45 45 ARG HB3 H 1 1.584 0.02 . . . . . . . . . . 6762 2 403 . 1 1 45 45 ARG HG2 H 1 1.424 0.02 . . . . . . . . . . 6762 2 404 . 1 1 45 45 ARG HG3 H 1 1.424 0.02 . . . . . . . . . . 6762 2 405 . 1 1 45 45 ARG HD2 H 1 3.229 0.02 . . . . . . . . . . 6762 2 406 . 1 1 45 45 ARG HD3 H 1 3.229 0.02 . . . . . . . . . . 6762 2 407 . 1 1 45 45 ARG CA C 13 53.953 0.05 . . . . . . . . . . 6762 2 408 . 1 1 45 45 ARG CB C 13 31.994 0.05 . . . . . . . . . . 6762 2 409 . 1 1 45 45 ARG N N 15 121.281 0.05 . . . . . . . . . . 6762 2 410 . 1 1 46 46 ALA H H 1 8.527 0.02 . . . . . . . . . . 6762 2 411 . 1 1 46 46 ALA HA H 1 3.952 0.02 . . . . . . . . . . 6762 2 412 . 1 1 46 46 ALA HB1 H 1 0.862 0.02 . . . . . . . . . . 6762 2 413 . 1 1 46 46 ALA HB2 H 1 0.862 0.02 . . . . . . . . . . 6762 2 414 . 1 1 46 46 ALA HB3 H 1 0.862 0.02 . . . . . . . . . . 6762 2 415 . 1 1 46 46 ALA CA C 13 52.040 0.05 . . . . . . . . . . 6762 2 416 . 1 1 46 46 ALA CB C 13 18.333 0.05 . . . . . . . . . . 6762 2 417 . 1 1 46 46 ALA N N 15 127.844 0.05 . . . . . . . . . . 6762 2 418 . 1 1 47 47 ARG H H 1 8.530 0.02 . . . . . . . . . . 6762 2 419 . 1 1 47 47 ARG HA H 1 4.975 0.02 . . . . . . . . . . 6762 2 420 . 1 1 47 47 ARG HB2 H 1 1.328 0.02 . . . . . . . . . . 6762 2 421 . 1 1 47 47 ARG HB3 H 1 1.328 0.02 . . . . . . . . . . 6762 2 422 . 1 1 47 47 ARG HG2 H 1 1.525 0.02 . . . . . . . . . . 6762 2 423 . 1 1 47 47 ARG HG3 H 1 1.525 0.02 . . . . . . . . . . 6762 2 424 . 1 1 47 47 ARG CA C 13 53.146 0.05 . . . . . . . . . . 6762 2 425 . 1 1 47 47 ARG CB C 13 35.631 0.05 . . . . . . . . . . 6762 2 426 . 1 1 47 47 ARG N N 15 125.219 0.05 . . . . . . . . . . 6762 2 427 . 1 1 48 48 TRP H H 1 9.057 0.02 . . . . . . . . . . 6762 2 428 . 1 1 48 48 TRP HA H 1 4.494 0.02 . . . . . . . . . . 6762 2 429 . 1 1 48 48 TRP HB2 H 1 2.601 0.02 . . . . . . . . . . 6762 2 430 . 1 1 48 48 TRP HB3 H 1 3.054 0.02 . . . . . . . . . . 6762 2 431 . 1 1 48 48 TRP HD1 H 1 6.702 0.02 . . . . . . . . . . 6762 2 432 . 1 1 48 48 TRP HE1 H 1 9.455 0.02 . . . . . . . . . . 6762 2 433 . 1 1 48 48 TRP CA C 13 57.823 0.05 . . . . . . . . . . 6762 2 434 . 1 1 48 48 TRP CB C 13 33.154 0.05 . . . . . . . . . . 6762 2 435 . 1 1 48 48 TRP N N 15 122.594 0.05 . . . . . . . . . . 6762 2 436 . 1 1 49 49 LEU H H 1 9.824 0.02 . . . . . . . . . . 6762 2 437 . 1 1 49 49 LEU HA H 1 4.592 0.02 . . . . . . . . . . 6762 2 438 . 1 1 49 49 LEU HB2 H 1 1.736 0.02 . . . . . . . . . . 6762 2 439 . 1 1 49 49 LEU HB3 H 1 1.535 0.02 . . . . . . . . . . 6762 2 440 . 1 1 49 49 LEU HG H 1 1.460 0.02 . . . . . . . . . . 6762 2 441 . 1 1 49 49 LEU HD11 H 1 0.760 0.02 . . . . . . . . . . 6762 2 442 . 1 1 49 49 LEU HD12 H 1 0.760 0.02 . . . . . . . . . . 6762 2 443 . 1 1 49 49 LEU HD13 H 1 0.760 0.02 . . . . . . . . . . 6762 2 444 . 1 1 49 49 LEU HD21 H 1 0.677 0.02 . . . . . . . . . . 6762 2 445 . 1 1 49 49 LEU HD22 H 1 0.677 0.02 . . . . . . . . . . 6762 2 446 . 1 1 49 49 LEU HD23 H 1 0.677 0.02 . . . . . . . . . . 6762 2 447 . 1 1 49 49 LEU CA C 13 54.528 0.05 . . . . . . . . . . 6762 2 448 . 1 1 49 49 LEU CB C 13 42.105 0.05 . . . . . . . . . . 6762 2 449 . 1 1 49 49 LEU N N 15 123.250 0.05 . . . . . . . . . . 6762 2 450 . 1 1 50 50 TYR H H 1 9.555 0.02 . . . . . . . . . . 6762 2 451 . 1 1 50 50 TYR HA H 1 4.088 0.02 . . . . . . . . . . 6762 2 452 . 1 1 50 50 TYR HB2 H 1 3.195 0.02 . . . . . . . . . . 6762 2 453 . 1 1 50 50 TYR HB3 H 1 3.195 0.02 . . . . . . . . . . 6762 2 454 . 1 1 50 50 TYR HD1 H 1 6.570 0.02 . . . . . . . . . . 6762 2 455 . 1 1 50 50 TYR HD2 H 1 6.570 0.02 . . . . . . . . . . 6762 2 456 . 1 1 50 50 TYR HE1 H 1 6.942 0.02 . . . . . . . . . . 6762 2 457 . 1 1 50 50 TYR HE2 H 1 6.942 0.02 . . . . . . . . . . 6762 2 458 . 1 1 50 50 TYR CA C 13 61.577 0.05 . . . . . . . . . . 6762 2 459 . 1 1 50 50 TYR CB C 13 36.571 0.05 . . . . . . . . . . 6762 2 460 . 1 1 50 50 TYR N N 15 127.843 0.05 . . . . . . . . . . 6762 2 461 . 1 1 51 51 ARG H H 1 9.402 0.02 . . . . . . . . . . 6762 2 462 . 1 1 51 51 ARG HA H 1 3.831 0.02 . . . . . . . . . . 6762 2 463 . 1 1 51 51 ARG HB2 H 1 1.813 0.02 . . . . . . . . . . 6762 2 464 . 1 1 51 51 ARG HB3 H 1 1.522 0.02 . . . . . . . . . . 6762 2 465 . 1 1 51 51 ARG HG2 H 1 1.450 0.02 . . . . . . . . . . 6762 2 466 . 1 1 51 51 ARG HG3 H 1 1.395 0.02 . . . . . . . . . . 6762 2 467 . 1 1 51 51 ARG HD2 H 1 2.973 0.02 . . . . . . . . . . 6762 2 468 . 1 1 51 51 ARG HD3 H 1 2.920 0.02 . . . . . . . . . . 6762 2 469 . 1 1 51 51 ARG HE H 1 7.125 0.02 . . . . . . . . . . 6762 2 470 . 1 1 51 51 ARG CA C 13 59.121 0.05 . . . . . . . . . . 6762 2 471 . 1 1 51 51 ARG CB C 13 29.399 0.05 . . . . . . . . . . 6762 2 472 . 1 1 51 51 ARG N N 15 118.656 0.05 . . . . . . . . . . 6762 2 473 . 1 1 52 52 ASP H H 1 6.886 0.02 . . . . . . . . . . 6762 2 474 . 1 1 52 52 ASP HA H 1 4.374 0.02 . . . . . . . . . . 6762 2 475 . 1 1 52 52 ASP HB2 H 1 2.939 0.02 . . . . . . . . . . 6762 2 476 . 1 1 52 52 ASP HB3 H 1 2.294 0.02 . . . . . . . . . . 6762 2 477 . 1 1 52 52 ASP CB C 13 39.841 0.05 . . . . . . . . . . 6762 2 478 . 1 1 52 52 ASP N N 15 120.625 0.05 . . . . . . . . . . 6762 2 479 . 1 1 53 53 HIS H H 1 7.897 0.02 . . . . . . . . . . 6762 2 480 . 1 1 53 53 HIS HA H 1 4.167 0.02 . . . . . . . . . . 6762 2 481 . 1 1 53 53 HIS HB2 H 1 3.242 0.02 . . . . . . . . . . 6762 2 482 . 1 1 53 53 HIS HB3 H 1 3.242 0.02 . . . . . . . . . . 6762 2 483 . 1 1 53 53 HIS HD2 H 1 6.795 0.02 . . . . . . . . . . 6762 2 484 . 1 1 53 53 HIS HE1 H 1 7.363 0.02 . . . . . . . . . . 6762 2 485 . 1 1 53 53 HIS CA C 13 60.375 0.05 . . . . . . . . . . 6762 2 486 . 1 1 53 53 HIS CB C 13 31.108 0.05 . . . . . . . . . . 6762 2 487 . 1 1 53 53 HIS N N 15 125.218 0.05 . . . . . . . . . . 6762 2 488 . 1 1 54 54 CYS H H 1 8.288 0.02 . . . . . . . . . . 6762 2 489 . 1 1 54 54 CYS HA H 1 3.371 0.02 . . . . . . . . . . 6762 2 490 . 1 1 54 54 CYS HB2 H 1 2.599 0.02 . . . . . . . . . . 6762 2 491 . 1 1 54 54 CYS HB3 H 1 2.599 0.02 . . . . . . . . . . 6762 2 492 . 1 1 54 54 CYS CA C 13 59.081 0.05 . . . . . . . . . . 6762 2 493 . 1 1 54 54 CYS N N 15 117.344 0.05 . . . . . . . . . . 6762 2 494 . 1 1 55 55 GLU H H 1 7.439 0.02 . . . . . . . . . . 6762 2 495 . 1 1 55 55 GLU HA H 1 3.880 0.02 . . . . . . . . . . 6762 2 496 . 1 1 55 55 GLU HB2 H 1 1.934 0.02 . . . . . . . . . . 6762 2 497 . 1 1 55 55 GLU HB3 H 1 1.934 0.02 . . . . . . . . . . 6762 2 498 . 1 1 55 55 GLU HG2 H 1 2.197 0.02 . . . . . . . . . . 6762 2 499 . 1 1 55 55 GLU HG3 H 1 2.146 0.02 . . . . . . . . . . 6762 2 500 . 1 1 55 55 GLU CA C 13 59.081 0.05 . . . . . . . . . . 6762 2 501 . 1 1 55 55 GLU CB C 13 28.465 0.05 . . . . . . . . . . 6762 2 502 . 1 1 55 55 GLU N N 15 121.281 0.05 . . . . . . . . . . 6762 2 503 . 1 1 56 56 PHE H H 1 7.729 0.02 . . . . . . . . . . 6762 2 504 . 1 1 56 56 PHE HA H 1 4.300 0.02 . . . . . . . . . . 6762 2 505 . 1 1 56 56 PHE HB2 H 1 3.192 0.02 . . . . . . . . . . 6762 2 506 . 1 1 56 56 PHE HB3 H 1 3.192 0.02 . . . . . . . . . . 6762 2 507 . 1 1 56 56 PHE HD1 H 1 7.009 0.02 . . . . . . . . . . 6762 2 508 . 1 1 56 56 PHE HD2 H 1 7.009 0.02 . . . . . . . . . . 6762 2 509 . 1 1 56 56 PHE HE1 H 1 6.760 0.02 . . . . . . . . . . 6762 2 510 . 1 1 56 56 PHE HE2 H 1 6.760 0.02 . . . . . . . . . . 6762 2 511 . 1 1 56 56 PHE HZ H 1 6.693 0.02 . . . . . . . . . . 6762 2 512 . 1 1 56 56 PHE N N 15 123.906 0.05 . . . . . . . . . . 6762 2 513 . 1 1 57 57 LYS H H 1 8.102 0.02 . . . . . . . . . . 6762 2 514 . 1 1 57 57 LYS HA H 1 3.039 0.02 . . . . . . . . . . 6762 2 515 . 1 1 57 57 LYS HB2 H 1 1.255 0.02 . . . . . . . . . . 6762 2 516 . 1 1 57 57 LYS HB3 H 1 1.255 0.02 . . . . . . . . . . 6762 2 517 . 1 1 57 57 LYS HG2 H 1 0.818 0.02 . . . . . . . . . . 6762 2 518 . 1 1 57 57 LYS HG3 H 1 0.818 0.02 . . . . . . . . . . 6762 2 519 . 1 1 57 57 LYS HD2 H 1 1.139 0.02 . . . . . . . . . . 6762 2 520 . 1 1 57 57 LYS HD3 H 1 1.139 0.02 . . . . . . . . . . 6762 2 521 . 1 1 57 57 LYS HE2 H 1 2.608 0.02 . . . . . . . . . . 6762 2 522 . 1 1 57 57 LYS HE3 H 1 2.608 0.02 . . . . . . . . . . 6762 2 523 . 1 1 57 57 LYS CA C 13 59.827 0.05 . . . . . . . . . . 6762 2 524 . 1 1 57 57 LYS CB C 13 31.564 0.05 . . . . . . . . . . 6762 2 525 . 1 1 57 57 LYS N N 15 120.625 0.05 . . . . . . . . . . 6762 2 526 . 1 1 58 58 ASN H H 1 7.685 0.02 . . . . . . . . . . 6762 2 527 . 1 1 58 58 ASN HA H 1 4.152 0.02 . . . . . . . . . . 6762 2 528 . 1 1 58 58 ASN HB2 H 1 2.605 0.02 . . . . . . . . . . 6762 2 529 . 1 1 58 58 ASN HB3 H 1 2.545 0.02 . . . . . . . . . . 6762 2 530 . 1 1 58 58 ASN HD21 H 1 7.390 0.02 . . . . . . . . . . 6762 2 531 . 1 1 58 58 ASN HD22 H 1 6.649 0.02 . . . . . . . . . . 6762 2 532 . 1 1 58 58 ASN CA C 13 55.622 0.05 . . . . . . . . . . 6762 2 533 . 1 1 58 58 ASN CB C 13 37.779 0.05 . . . . . . . . . . 6762 2 534 . 1 1 58 58 ASN N N 15 118.001 0.05 . . . . . . . . . . 6762 2 535 . 1 1 59 59 LYS H H 1 7.978 0.02 . . . . . . . . . . 6762 2 536 . 1 1 59 59 LYS HA H 1 3.808 0.02 . . . . . . . . . . 6762 2 537 . 1 1 59 59 LYS HB2 H 1 1.863 0.02 . . . . . . . . . . 6762 2 538 . 1 1 59 59 LYS HB3 H 1 1.863 0.02 . . . . . . . . . . 6762 2 539 . 1 1 59 59 LYS HG2 H 1 1.414 0.02 . . . . . . . . . . 6762 2 540 . 1 1 59 59 LYS HG3 H 1 1.414 0.02 . . . . . . . . . . 6762 2 541 . 1 1 59 59 LYS HD2 H 1 1.644 0.02 . . . . . . . . . . 6762 2 542 . 1 1 59 59 LYS HD3 H 1 1.644 0.02 . . . . . . . . . . 6762 2 543 . 1 1 59 59 LYS HE2 H 1 3.038 0.02 . . . . . . . . . . 6762 2 544 . 1 1 59 59 LYS HE3 H 1 3.038 0.02 . . . . . . . . . . 6762 2 545 . 1 1 59 59 LYS HZ1 H 1 7.009 0.02 . . . . . . . . . . 6762 2 546 . 1 1 59 59 LYS HZ2 H 1 7.009 0.02 . . . . . . . . . . 6762 2 547 . 1 1 59 59 LYS HZ3 H 1 7.009 0.02 . . . . . . . . . . 6762 2 548 . 1 1 59 59 LYS CA C 13 59.011 0.05 . . . . . . . . . . 6762 2 549 . 1 1 59 59 LYS CB C 13 32.192 0.05 . . . . . . . . . . 6762 2 550 . 1 1 59 59 LYS N N 15 123.250 0.05 . . . . . . . . . . 6762 2 551 . 1 1 60 60 LEU H H 1 7.474 0.02 . . . . . . . . . . 6762 2 552 . 1 1 60 60 LEU HA H 1 3.805 0.02 . . . . . . . . . . 6762 2 553 . 1 1 60 60 LEU HB2 H 1 1.412 0.02 . . . . . . . . . . 6762 2 554 . 1 1 60 60 LEU HB3 H 1 1.412 0.02 . . . . . . . . . . 6762 2 555 . 1 1 60 60 LEU HG H 1 1.286 0.02 . . . . . . . . . . 6762 2 556 . 1 1 60 60 LEU HD11 H 1 0.491 0.02 . . . . . . . . . . 6762 2 557 . 1 1 60 60 LEU HD12 H 1 0.491 0.02 . . . . . . . . . . 6762 2 558 . 1 1 60 60 LEU HD13 H 1 0.491 0.02 . . . . . . . . . . 6762 2 559 . 1 1 60 60 LEU HD21 H 1 0.373 0.02 . . . . . . . . . . 6762 2 560 . 1 1 60 60 LEU HD22 H 1 0.373 0.02 . . . . . . . . . . 6762 2 561 . 1 1 60 60 LEU HD23 H 1 0.373 0.02 . . . . . . . . . . 6762 2 562 . 1 1 60 60 LEU CA C 13 56.413 0.05 . . . . . . . . . . 6762 2 563 . 1 1 60 60 LEU N N 15 120.625 0.05 . . . . . . . . . . 6762 2 564 . 1 1 61 61 LEU H H 1 7.687 0.02 . . . . . . . . . . 6762 2 565 . 1 1 61 61 LEU HA H 1 4.010 0.02 . . . . . . . . . . 6762 2 566 . 1 1 61 61 LEU HB2 H 1 1.534 0.02 . . . . . . . . . . 6762 2 567 . 1 1 61 61 LEU HB3 H 1 1.468 0.02 . . . . . . . . . . 6762 2 568 . 1 1 61 61 LEU HG H 1 1.356 0.02 . . . . . . . . . . 6762 2 569 . 1 1 61 61 LEU HD11 H 1 0.613 0.02 . . . . . . . . . . 6762 2 570 . 1 1 61 61 LEU HD12 H 1 0.613 0.02 . . . . . . . . . . 6762 2 571 . 1 1 61 61 LEU HD13 H 1 0.613 0.02 . . . . . . . . . . 6762 2 572 . 1 1 61 61 LEU HD21 H 1 0.613 0.02 . . . . . . . . . . 6762 2 573 . 1 1 61 61 LEU HD22 H 1 0.613 0.02 . . . . . . . . . . 6762 2 574 . 1 1 61 61 LEU HD23 H 1 0.613 0.02 . . . . . . . . . . 6762 2 575 . 1 1 61 61 LEU CA C 13 56.222 0.05 . . . . . . . . . . 6762 2 576 . 1 1 61 61 LEU CB C 13 41.580 0.05 . . . . . . . . . . 6762 2 577 . 1 1 61 61 LEU N N 15 121.281 0.05 . . . . . . . . . . 6762 2 578 . 1 1 62 62 SER H H 1 7.671 0.02 . . . . . . . . . . 6762 2 579 . 1 1 62 62 SER HA H 1 4.096 0.02 . . . . . . . . . . 6762 2 580 . 1 1 62 62 SER HB2 H 1 3.703 0.02 . . . . . . . . . . 6762 2 581 . 1 1 62 62 SER HB3 H 1 3.703 0.02 . . . . . . . . . . 6762 2 582 . 1 1 62 62 SER CA C 13 59.425 0.05 . . . . . . . . . . 6762 2 583 . 1 1 62 62 SER CB C 13 63.070 0.05 . . . . . . . . . . 6762 2 584 . 1 1 62 62 SER N N 15 114.719 0.05 . . . . . . . . . . 6762 2 585 . 1 1 63 63 ARG H H 1 7.638 0.02 . . . . . . . . . . 6762 2 586 . 1 1 63 63 ARG HA H 1 4.106 0.02 . . . . . . . . . . 6762 2 587 . 1 1 63 63 ARG HB2 H 1 1.675 0.02 . . . . . . . . . . 6762 2 588 . 1 1 63 63 ARG HB3 H 1 1.553 0.02 . . . . . . . . . . 6762 2 589 . 1 1 63 63 ARG HG2 H 1 1.467 0.02 . . . . . . . . . . 6762 2 590 . 1 1 63 63 ARG HG3 H 1 1.417 0.02 . . . . . . . . . . 6762 2 591 . 1 1 63 63 ARG HD2 H 1 2.950 0.02 . . . . . . . . . . 6762 2 592 . 1 1 63 63 ARG HD3 H 1 2.878 0.02 . . . . . . . . . . 6762 2 593 . 1 1 63 63 ARG HE H 1 7.041 0.02 . . . . . . . . . . 6762 2 594 . 1 1 63 63 ARG CA C 13 55.966 0.05 . . . . . . . . . . 6762 2 595 . 1 1 63 63 ARG CB C 13 30.171 0.05 . . . . . . . . . . 6762 2 596 . 1 1 63 63 ARG N N 15 123.250 0.05 . . . . . . . . . . 6762 2 597 . 1 1 64 64 ALA H H 1 7.850 0.02 . . . . . . . . . . 6762 2 598 . 1 1 64 64 ALA HA H 1 4.018 0.02 . . . . . . . . . . 6762 2 599 . 1 1 64 64 ALA HB1 H 1 1.171 0.02 . . . . . . . . . . 6762 2 600 . 1 1 64 64 ALA HB2 H 1 1.171 0.02 . . . . . . . . . . 6762 2 601 . 1 1 64 64 ALA HB3 H 1 1.171 0.02 . . . . . . . . . . 6762 2 602 . 1 1 64 64 ALA CA C 13 52.766 0.05 . . . . . . . . . . 6762 2 603 . 1 1 64 64 ALA CB C 13 18.780 0.05 . . . . . . . . . . 6762 2 604 . 1 1 64 64 ALA N N 15 126.531 0.05 . . . . . . . . . . 6762 2 605 . 1 1 65 65 ASN H H 1 8.142 0.02 . . . . . . . . . . 6762 2 606 . 1 1 65 65 ASN HA H 1 4.500 0.02 . . . . . . . . . . 6762 2 607 . 1 1 65 65 ASN HB2 H 1 2.626 0.02 . . . . . . . . . . 6762 2 608 . 1 1 65 65 ASN HB3 H 1 2.491 0.02 . . . . . . . . . . 6762 2 609 . 1 1 65 65 ASN CA C 13 52.884 0.05 . . . . . . . . . . 6762 2 610 . 1 1 65 65 ASN CB C 13 39.052 0.05 . . . . . . . . . . 6762 2 611 . 1 1 65 65 ASN N N 15 117.344 0.05 . . . . . . . . . . 6762 2 612 . 1 1 65 65 ASN HD21 H 1 7.452 0.02 . . . . . . . . . . 6762 2 613 . 1 1 65 65 ASN HD22 H 1 6.733 0.02 . . . . . . . . . . 6762 2 614 . 1 1 66 66 GLY H H 1 7.703 0.02 . . . . . . . . . . 6762 2 615 . 1 1 66 66 GLY HA2 H 1 3.516 0.02 . . . . . . . . . . 6762 2 616 . 1 1 66 66 GLY HA3 H 1 3.516 0.02 . . . . . . . . . . 6762 2 617 . 1 1 66 66 GLY CA C 13 45.919 0.05 . . . . . . . . . . 6762 2 618 . 1 1 66 66 GLY N N 15 116.602 0.05 . . . . . . . . . . 6762 2 stop_ save_