data_5563 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5563 _Entry.Title ; Assignment of backbone 1H, 13C and 15N resonances of ParG, a protein required for active partition of bacterial plasmids ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-18 _Entry.Accession_date 2002-10-18 _Entry.Last_release_date 2002-10-18 _Entry.Original_release_date 2002-10-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Alexander Golovanov . P. . . 5563 2 Daniela Barilla . . . . 5563 3 Marina Golovanova . . . . 5563 4 Finbarr Hayes . . . . 5563 5 Lu-Yun Lian . . . . 5563 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5563 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 5563 '15N chemical shifts' 83 5563 '1H chemical shifts' 513 5563 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-10-30 2002-10-18 update BMRB 'update entry etc.' 5563 1 . . 2003-12-08 2002-10-18 original author 'original release' 5563 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5563 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14622405 _Citation.Full_citation . _Citation.Title ; ParG, a protein required for active partition of bacterial plasmids, has a dimeric ribbon-helix-helix structure ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 50 _Citation.Journal_issue 4 _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 1141 _Citation.Page_last 1153 _Citation.Year 2003 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexander Golovanov . P. . . 5563 1 2 Daniela Barilla . . . . 5563 1 3 Marina Golovanova . . . . 5563 1 4 Finbarr Hayes . . . . 5563 1 5 Lu-Yun Lian . . . . 5563 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'active partition' 5563 1 'bacterial plasmids' 5563 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 5563 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10931346 _Citation.Full_citation ; Hayes F. The partition system of multidrug resistance plasmid TP228 includes a novel protein that epitomizes an evolutionarily distinct subgroup of the ParA superfamily. Mol Microbiol. 2000 Aug;37(3):528-41. ; _Citation.Title ; The partition system of multidrug resistance plasmid TP228 includes a novel protein that epitomizes an evolutionarily distinct subgroup of the ParA superfamily. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full 'Molecular microbiology' _Citation.Journal_volume 37 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0950-382X _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 528 _Citation.Page_last 541 _Citation.Year 2000 _Citation.Details ; The segregational stability of bacterial, low-copy-number plasmids is promoted primarily by active partition. The plasmid-specified components of the prototypical P1 plasmid partition system consist of two proteins, ParA (44.3 kDa) and ParB (38.5 kDa), which, in conjunction with integration host factor, form a nucleoprotein complex at the plasmid partition site, parS. This complex is the probable substrate for the directed temporal and spatial intracellular movement of plasmids before cell division. The genetic organization of the partition cassette of the multidrug resistance plasmid TP228 differs markedly from that of the P1 paradigm. The TP228 system includes a novel member (ParF; 22.0 kDa) of the ParA superfamily of ATPases, of which the P1 ParA protein is the archetype. However, the ParF protein and its immediate relatives form a discrete subgroup of the ParA superfamily, which evolutionarily is more related to the MinD subgroup of cell division proteins than to ParA of P1. The TP228 and P1 partition modules differ further in that the former does not include a parB homologue, but does specify a protein (ParG; 8.6 kDa) unrelated to ParB. Homologues of the parF gene are widely disseminated on eubacterial genomes, suggesting that ParF-mediated partition may be a common mechanism by which plasmid segregational stability is achieved. ; 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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F Hayes F. . . . 5563 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ParG _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ParG _Assembly.Entry_ID 5563 _Assembly.ID 1 _Assembly.Name 'ParG dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _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 dimer 5563 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 'ParG subunit_1' 1 $ParG . . . native . . 1 . . 5563 1 2 'ParG subunit_2' 1 $ParG . . . native . . 1 . . 5563 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ParG abbreviation 5563 1 'ParG dimer' system 5563 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'required for active partition of bacterial plasmids' 5563 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ParG _Entity.Sf_category entity _Entity.Sf_framecode ParG _Entity.Entry_ID 5563 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ParG _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 ; MSLEKAHTSVKKMTFGENRD LERVVTAPVSSGKIKRVNVN FDEEKHTRFKAACARKGTSI TDVVNQLVDNWLKENE ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8625 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no PDB 1P94 . 'Nmr Structure Of Parg Symmetric Dimer' . . . . . 100.00 76 100.00 100.00 6.89e-37 . . . . 5563 1 . no GenBank AAF74218 . 'plasmid partition protein ParG [Salmonella enterica subsp. enterica serovar Newport]' . . . . . 100.00 76 100.00 100.00 6.89e-37 . . . . 5563 1 . no GenBank ABZ89622 . 'plasmid partitioning protein ParG [Escherichia coli]' . . . . . 100.00 76 100.00 100.00 6.89e-37 . . . . 5563 1 . no GenBank ACA51142 . 'partitioning protein ParB [Salmonella enterica subsp. enterica serovar Dublin]' . . . . . 100.00 76 100.00 100.00 6.89e-37 . . . . 5563 1 . no REF YP_001693222 . 'plasmid partitioning protein ParG [Escherichia coli]' . . . . . 100.00 76 100.00 100.00 6.89e-37 . . . . 5563 1 . no REF YP_001716185 . 'partitioning protein ParB [Salmonella enterica subsp. enterica serovar Dublin]' . . . . . 100.00 76 100.00 100.00 6.89e-37 . . . . 5563 1 . no REF ZP_02351781 . 'hypothetical protein Sententeri_18255 [Salmonella enterica subsp. enterica serovar Dublin str. CT_02021853]' . . . . . 100.00 76 100.00 100.00 6.89e-37 . . . . 5563 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ParG abbreviation 5563 1 ParG common 5563 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 . 5563 1 2 . SER . 5563 1 3 . LEU . 5563 1 4 . GLU . 5563 1 5 . LYS . 5563 1 6 . ALA . 5563 1 7 . HIS . 5563 1 8 . THR . 5563 1 9 . SER . 5563 1 10 . VAL . 5563 1 11 . LYS . 5563 1 12 . LYS . 5563 1 13 . MET . 5563 1 14 . THR . 5563 1 15 . PHE . 5563 1 16 . GLY . 5563 1 17 . GLU . 5563 1 18 . ASN . 5563 1 19 . ARG . 5563 1 20 . ASP . 5563 1 21 . LEU . 5563 1 22 . GLU . 5563 1 23 . ARG . 5563 1 24 . VAL . 5563 1 25 . VAL . 5563 1 26 . THR . 5563 1 27 . ALA . 5563 1 28 . PRO . 5563 1 29 . VAL . 5563 1 30 . SER . 5563 1 31 . SER . 5563 1 32 . GLY . 5563 1 33 . LYS . 5563 1 34 . ILE . 5563 1 35 . LYS . 5563 1 36 . ARG . 5563 1 37 . VAL . 5563 1 38 . ASN . 5563 1 39 . VAL . 5563 1 40 . ASN . 5563 1 41 . PHE . 5563 1 42 . ASP . 5563 1 43 . GLU . 5563 1 44 . GLU . 5563 1 45 . LYS . 5563 1 46 . HIS . 5563 1 47 . THR . 5563 1 48 . ARG . 5563 1 49 . PHE . 5563 1 50 . LYS . 5563 1 51 . ALA . 5563 1 52 . ALA . 5563 1 53 . CYS . 5563 1 54 . ALA . 5563 1 55 . ARG . 5563 1 56 . LYS . 5563 1 57 . GLY . 5563 1 58 . THR . 5563 1 59 . SER . 5563 1 60 . ILE . 5563 1 61 . THR . 5563 1 62 . ASP . 5563 1 63 . VAL . 5563 1 64 . VAL . 5563 1 65 . ASN . 5563 1 66 . GLN . 5563 1 67 . LEU . 5563 1 68 . VAL . 5563 1 69 . ASP . 5563 1 70 . ASN . 5563 1 71 . TRP . 5563 1 72 . LEU . 5563 1 73 . LYS . 5563 1 74 . GLU . 5563 1 75 . ASN . 5563 1 76 . GLU . 5563 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 5563 1 . SER 2 2 5563 1 . LEU 3 3 5563 1 . GLU 4 4 5563 1 . LYS 5 5 5563 1 . ALA 6 6 5563 1 . HIS 7 7 5563 1 . THR 8 8 5563 1 . SER 9 9 5563 1 . VAL 10 10 5563 1 . LYS 11 11 5563 1 . LYS 12 12 5563 1 . MET 13 13 5563 1 . THR 14 14 5563 1 . PHE 15 15 5563 1 . GLY 16 16 5563 1 . GLU 17 17 5563 1 . ASN 18 18 5563 1 . ARG 19 19 5563 1 . ASP 20 20 5563 1 . LEU 21 21 5563 1 . GLU 22 22 5563 1 . ARG 23 23 5563 1 . VAL 24 24 5563 1 . VAL 25 25 5563 1 . THR 26 26 5563 1 . ALA 27 27 5563 1 . PRO 28 28 5563 1 . VAL 29 29 5563 1 . SER 30 30 5563 1 . SER 31 31 5563 1 . GLY 32 32 5563 1 . LYS 33 33 5563 1 . ILE 34 34 5563 1 . LYS 35 35 5563 1 . ARG 36 36 5563 1 . VAL 37 37 5563 1 . ASN 38 38 5563 1 . VAL 39 39 5563 1 . ASN 40 40 5563 1 . PHE 41 41 5563 1 . ASP 42 42 5563 1 . GLU 43 43 5563 1 . GLU 44 44 5563 1 . LYS 45 45 5563 1 . HIS 46 46 5563 1 . THR 47 47 5563 1 . ARG 48 48 5563 1 . PHE 49 49 5563 1 . LYS 50 50 5563 1 . ALA 51 51 5563 1 . ALA 52 52 5563 1 . CYS 53 53 5563 1 . ALA 54 54 5563 1 . ARG 55 55 5563 1 . LYS 56 56 5563 1 . GLY 57 57 5563 1 . THR 58 58 5563 1 . SER 59 59 5563 1 . ILE 60 60 5563 1 . THR 61 61 5563 1 . ASP 62 62 5563 1 . VAL 63 63 5563 1 . VAL 64 64 5563 1 . ASN 65 65 5563 1 . GLN 66 66 5563 1 . LEU 67 67 5563 1 . VAL 68 68 5563 1 . ASP 69 69 5563 1 . ASN 70 70 5563 1 . TRP 71 71 5563 1 . LEU 72 72 5563 1 . LYS 73 73 5563 1 . GLU 74 74 5563 1 . ASN 75 75 5563 1 . GLU 76 76 5563 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 5563 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ParG . 108619 . . 'Salmonella enterica' 'Salmonella enterica subsp. enterica serovar Newport' . . Eubacteria . Salmonella enterica . . . . . . . . . . TP228 parG . 5563 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 5563 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ParG . 'recombinant technology' . . . . . . . . . . . . . . . . 5563 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5563 _Sample.ID 1 _Sample.Name . _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 ParG '[U-95% 15N]' . . 1 $ParG . . . 1.0 2.0 mM . . . . 5563 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5563 _Sample.ID 2 _Sample.Name . _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 ParG '[U-95% 13C; U-95% 15N]' . . 1 $ParG . . . 1.0 2.0 mM . . . . 5563 2 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond_1 _Sample_condition_list.Entry_ID 5563 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 5.5 0.1 na 5563 1 temperature 293 0.1 K 5563 1 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 5563 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5563 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Bruker DRX . 600 . . . 5563 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 5563 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 3 '2D 1H-1H COSY (in D2O)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 4 '2D 1H-1H TOCSY (in D2O)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 5 '2D 1H-1H NOESY (in D2O)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 6 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 7 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 8 '3D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 9 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 10 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 11 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 12 '3D CBCANH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 13 '3D HAHB(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 14 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 15 '3D 1H-13C-1H HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 16 '3D 15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5563 1 stop_ 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 5563 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5563 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . 5563 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5563 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5563 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 5563 1 2 '2D 1H-13C HSQC' . . . 5563 1 3 '2D 1H-1H COSY (in D2O)' . . . 5563 1 4 '2D 1H-1H TOCSY (in D2O)' . . . 5563 1 5 '2D 1H-1H NOESY (in D2O)' . . . 5563 1 6 '3D HNHA' . . . 5563 1 7 '3D HNCO' . . . 5563 1 8 '3D HN(CA)CO' . . . 5563 1 9 '3D HNCA' . . . 5563 1 10 '3D HN(CO)CA' . . . 5563 1 11 '3D CBCA(CO)NH' . . . 5563 1 12 '3D CBCANH' . . . 5563 1 13 '3D HAHB(CO)NH' . . . 5563 1 14 '3D 15N NOESY-HSQC' . . . 5563 1 15 '3D 1H-13C-1H HCCH-TOCSY' . . . 5563 1 16 '3D 15N TOCSY-HSQC' . . . 5563 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER N N 15 119.419 . . 1 . . . . . . . . . 5563 1 2 . 1 1 2 2 SER H H 1 8.461 . . 1 . . . . . . . . . 5563 1 3 . 1 1 3 3 LEU N N 15 122.833 . . 1 . . . . . . . . . 5563 1 4 . 1 1 3 3 LEU H H 1 8.703 . . 1 . . . . . . . . . 5563 1 5 . 1 1 3 3 LEU CA C 13 55.476 . . 1 . . . . . . . . . 5563 1 6 . 1 1 3 3 LEU HA H 1 4.368 . . 1 . . . . . . . . . 5563 1 7 . 1 1 3 3 LEU CB C 13 42.220 . . 1 . . . . . . . . . 5563 1 8 . 1 1 3 3 LEU HB3 H 1 1.593 . . 1 . . . . . . . . . 5563 1 9 . 1 1 3 3 LEU HB2 H 1 1.593 . . 1 . . . . . . . . . 5563 1 10 . 1 1 3 3 LEU C C 13 177.133 . . 1 . . . . . . . . . 5563 1 11 . 1 1 4 4 GLU N N 15 122.734 . . 1 . . . . . . . . . 5563 1 12 . 1 1 4 4 GLU H H 1 8.552 . . 1 . . . . . . . . . 5563 1 13 . 1 1 4 4 GLU CA C 13 56.683 . . 1 . . . . . . . . . 5563 1 14 . 1 1 4 4 GLU HA H 1 4.228 . . 1 . . . . . . . . . 5563 1 15 . 1 1 4 4 GLU CB C 13 30.169 . . 1 . . . . . . . . . 5563 1 16 . 1 1 4 4 GLU HB3 H 1 1.930 . . 1 . . . . . . . . . 5563 1 17 . 1 1 4 4 GLU HB2 H 1 1.930 . . 1 . . . . . . . . . 5563 1 18 . 1 1 4 4 GLU CG C 13 36.110 . . 1 . . . . . . . . . 5563 1 19 . 1 1 4 4 GLU HG3 H 1 2.254 . . 1 . . . . . . . . . 5563 1 20 . 1 1 4 4 GLU HG2 H 1 2.254 . . 1 . . . . . . . . . 5563 1 21 . 1 1 4 4 GLU C C 13 176.464 . . 1 . . . . . . . . . 5563 1 22 . 1 1 5 5 LYS N N 15 123.165 . . 1 . . . . . . . . . 5563 1 23 . 1 1 5 5 LYS H H 1 8.397 . . 1 . . . . . . . . . 5563 1 24 . 1 1 5 5 LYS CA C 13 56.328 . . 1 . . . . . . . . . 5563 1 25 . 1 1 5 5 LYS HA H 1 4.241 . . 1 . . . . . . . . . 5563 1 26 . 1 1 5 5 LYS CB C 13 32.925 . . 1 . . . . . . . . . 5563 1 27 . 1 1 5 5 LYS HB3 H 1 1.721 . . 1 . . . . . . . . . 5563 1 28 . 1 1 5 5 LYS HB2 H 1 1.721 . . 1 . . . . . . . . . 5563 1 29 . 1 1 5 5 LYS CG C 13 24.800 . . 1 . . . . . . . . . 5563 1 30 . 1 1 5 5 LYS HG3 H 1 1.406 . . 1 . . . . . . . . . 5563 1 31 . 1 1 5 5 LYS HG2 H 1 1.406 . . 1 . . . . . . . . . 5563 1 32 . 1 1 5 5 LYS CD C 13 29.198 . . 1 . . . . . . . . . 5563 1 33 . 1 1 5 5 LYS HD3 H 1 1.818 . . 1 . . . . . . . . . 5563 1 34 . 1 1 5 5 LYS HD2 H 1 1.818 . . 1 . . . . . . . . . 5563 1 35 . 1 1 5 5 LYS CE C 13 42.132 . . 1 . . . . . . . . . 5563 1 36 . 1 1 5 5 LYS HE3 H 1 3.008 . . 1 . . . . . . . . . 5563 1 37 . 1 1 5 5 LYS HE2 H 1 3.008 . . 1 . . . . . . . . . 5563 1 38 . 1 1 5 5 LYS C C 13 176.325 . . 1 . . . . . . . . . 5563 1 39 . 1 1 6 6 ALA N N 15 124.977 . . 1 . . . . . . . . . 5563 1 40 . 1 1 6 6 ALA H H 1 8.331 . . 1 . . . . . . . . . 5563 1 41 . 1 1 6 6 ALA CA C 13 52.507 . . 1 . . . . . . . . . 5563 1 42 . 1 1 6 6 ALA HA H 1 4.241 . . 1 . . . . . . . . . 5563 1 43 . 1 1 6 6 ALA CB C 13 19.200 . . 1 . . . . . . . . . 5563 1 44 . 1 1 6 6 ALA HB1 H 1 1.359 . . 1 . . . . . . . . . 5563 1 45 . 1 1 6 6 ALA HB2 H 1 1.359 . . 1 . . . . . . . . . 5563 1 46 . 1 1 6 6 ALA HB3 H 1 1.359 . . 1 . . . . . . . . . 5563 1 47 . 1 1 6 6 ALA C C 13 177.729 . . 1 . . . . . . . . . 5563 1 48 . 1 1 7 7 HIS N N 15 118.325 . . 1 . . . . . . . . . 5563 1 49 . 1 1 7 7 HIS H H 1 8.586 . . 1 . . . . . . . . . 5563 1 50 . 1 1 7 7 HIS CA C 13 55.348 . . 1 . . . . . . . . . 5563 1 51 . 1 1 7 7 HIS HA H 1 4.771 . . 1 . . . . . . . . . 5563 1 52 . 1 1 7 7 HIS CB C 13 29.190 . . 1 . . . . . . . . . 5563 1 53 . 1 1 7 7 HIS HB3 H 1 3.209 . . 2 . . . . . . . . . 5563 1 54 . 1 1 7 7 HIS HB2 H 1 3.292 . . 2 . . . . . . . . . 5563 1 55 . 1 1 7 7 HIS CD2 C 13 120.124 . . 1 . . . . . . . . . 5563 1 56 . 1 1 7 7 HIS HD2 H 1 7.275 . . 2 . . . . . . . . . 5563 1 57 . 1 1 7 7 HIS CE1 C 13 136.621 . . 1 . . . . . . . . . 5563 1 58 . 1 1 7 7 HIS HE1 H 1 8.505 . . 4 . . . . . . . . . 5563 1 59 . 1 1 7 7 HIS C C 13 174.754 . . 1 . . . . . . . . . 5563 1 60 . 1 1 8 8 THR N N 15 115.897 . . 1 . . . . . . . . . 5563 1 61 . 1 1 8 8 THR H H 1 8.231 . . 1 . . . . . . . . . 5563 1 62 . 1 1 8 8 THR CA C 13 61.839 . . 1 . . . . . . . . . 5563 1 63 . 1 1 8 8 THR HA H 1 4.357 . . 1 . . . . . . . . . 5563 1 64 . 1 1 8 8 THR CB C 13 69.910 . . 1 . . . . . . . . . 5563 1 65 . 1 1 8 8 THR HB H 1 4.176 . . 1 . . . . . . . . . 5563 1 66 . 1 1 8 8 THR CG2 C 13 21.568 . . 1 . . . . . . . . . 5563 1 67 . 1 1 8 8 THR HG21 H 1 1.136 . . 1 . . . . . . . . . 5563 1 68 . 1 1 8 8 THR HG22 H 1 1.136 . . 1 . . . . . . . . . 5563 1 69 . 1 1 8 8 THR HG23 H 1 1.136 . . 1 . . . . . . . . . 5563 1 70 . 1 1 8 8 THR C C 13 174.292 . . 1 . . . . . . . . . 5563 1 71 . 1 1 9 9 SER N N 15 118.902 . . 1 . . . . . . . . . 5563 1 72 . 1 1 9 9 SER H H 1 8.479 . . 1 . . . . . . . . . 5563 1 73 . 1 1 9 9 SER CA C 13 58.124 . . 1 . . . . . . . . . 5563 1 74 . 1 1 9 9 SER HA H 1 4.544 . . 1 . . . . . . . . . 5563 1 75 . 1 1 9 9 SER CB C 13 63.978 . . 1 . . . . . . . . . 5563 1 76 . 1 1 9 9 SER HB3 H 1 3.877 . . 2 . . . . . . . . . 5563 1 77 . 1 1 9 9 SER HB2 H 1 3.928 . . 2 . . . . . . . . . 5563 1 78 . 1 1 9 9 SER C C 13 174.461 . . 1 . . . . . . . . . 5563 1 79 . 1 1 10 10 VAL N N 15 122.467 . . 1 . . . . . . . . . 5563 1 80 . 1 1 10 10 VAL H H 1 8.242 . . 1 . . . . . . . . . 5563 1 81 . 1 1 10 10 VAL CA C 13 62.398 . . 1 . . . . . . . . . 5563 1 82 . 1 1 10 10 VAL HA H 1 4.125 . . 1 . . . . . . . . . 5563 1 83 . 1 1 10 10 VAL CB C 13 32.775 . . 1 . . . . . . . . . 5563 1 84 . 1 1 10 10 VAL HB H 1 2.082 . . 1 . . . . . . . . . 5563 1 85 . 1 1 10 10 VAL CG2 C 13 20.922 . . 1 . . . . . . . . . 5563 1 86 . 1 1 10 10 VAL HG21 H 1 0.927 . . 1 . . . . . . . . . 5563 1 87 . 1 1 10 10 VAL HG22 H 1 0.927 . . 1 . . . . . . . . . 5563 1 88 . 1 1 10 10 VAL HG23 H 1 0.927 . . 1 . . . . . . . . . 5563 1 89 . 1 1 10 10 VAL CG1 C 13 20.922 . . 1 . . . . . . . . . 5563 1 90 . 1 1 10 10 VAL HG11 H 1 0.927 . . 1 . . . . . . . . . 5563 1 91 . 1 1 10 10 VAL HG12 H 1 0.927 . . 1 . . . . . . . . . 5563 1 92 . 1 1 10 10 VAL HG13 H 1 0.927 . . 1 . . . . . . . . . 5563 1 93 . 1 1 10 10 VAL C C 13 176.088 . . 1 . . . . . . . . . 5563 1 94 . 1 1 11 11 LYS N N 15 125.884 . . 1 . . . . . . . . . 5563 1 95 . 1 1 11 11 LYS H H 1 8.397 . . 1 . . . . . . . . . 5563 1 96 . 1 1 11 11 LYS CA C 13 56.255 . . 1 . . . . . . . . . 5563 1 97 . 1 1 11 11 LYS HA H 1 4.307 . . 1 . . . . . . . . . 5563 1 98 . 1 1 11 11 LYS CB C 13 33.150 . . 1 . . . . . . . . . 5563 1 99 . 1 1 11 11 LYS HB3 H 1 1.751 . . 2 . . . . . . . . . 5563 1 100 . 1 1 11 11 LYS HB2 H 1 1.811 . . 2 . . . . . . . . . 5563 1 101 . 1 1 11 11 LYS CG C 13 24.840 . . 1 . . . . . . . . . 5563 1 102 . 1 1 11 11 LYS HG3 H 1 1.402 . . 2 . . . . . . . . . 5563 1 103 . 1 1 11 11 LYS HG2 H 1 1.460 . . 2 . . . . . . . . . 5563 1 104 . 1 1 11 11 LYS CD C 13 29.147 . . 1 . . . . . . . . . 5563 1 105 . 1 1 11 11 LYS HD3 H 1 1.708 . . 1 . . . . . . . . . 5563 1 106 . 1 1 11 11 LYS HD2 H 1 1.708 . . 1 . . . . . . . . . 5563 1 107 . 1 1 11 11 LYS CE C 13 42.113 . . 1 . . . . . . . . . 5563 1 108 . 1 1 11 11 LYS HE3 H 1 3.008 . . 1 . . . . . . . . . 5563 1 109 . 1 1 11 11 LYS HE2 H 1 3.008 . . 1 . . . . . . . . . 5563 1 110 . 1 1 11 11 LYS C C 13 176.257 . . 1 . . . . . . . . . 5563 1 111 . 1 1 12 12 LYS N N 15 123.782 . . 1 . . . . . . . . . 5563 1 112 . 1 1 12 12 LYS H H 1 8.390 . . 1 . . . . . . . . . 5563 1 113 . 1 1 12 12 LYS CA C 13 56.303 . . 1 . . . . . . . . . 5563 1 114 . 1 1 12 12 LYS HA H 1 4.280 . . 1 . . . . . . . . . 5563 1 115 . 1 1 12 12 LYS CB C 13 33.194 . . 1 . . . . . . . . . 5563 1 116 . 1 1 12 12 LYS HB3 H 1 1.744 . . 1 . . . . . . . . . 5563 1 117 . 1 1 12 12 LYS HB2 H 1 1.744 . . 1 . . . . . . . . . 5563 1 118 . 1 1 12 12 LYS CG C 13 24.840 . . 1 . . . . . . . . . 5563 1 119 . 1 1 12 12 LYS HG3 H 1 1.417 . . 2 . . . . . . . . . 5563 1 120 . 1 1 12 12 LYS HG2 H 1 1.458 . . 2 . . . . . . . . . 5563 1 121 . 1 1 12 12 LYS CD C 13 29.122 . . 1 . . . . . . . . . 5563 1 122 . 1 1 12 12 LYS HD3 H 1 1.701 . . 1 . . . . . . . . . 5563 1 123 . 1 1 12 12 LYS HD2 H 1 1.701 . . 1 . . . . . . . . . 5563 1 124 . 1 1 12 12 LYS CE C 13 42.123 . . 1 . . . . . . . . . 5563 1 125 . 1 1 12 12 LYS HE3 H 1 3.010 . . 1 . . . . . . . . . 5563 1 126 . 1 1 12 12 LYS HE2 H 1 3.010 . . 1 . . . . . . . . . 5563 1 127 . 1 1 12 12 LYS C C 13 176.393 . . 1 . . . . . . . . . 5563 1 128 . 1 1 13 13 MET N N 15 122.768 . . 1 . . . . . . . . . 5563 1 129 . 1 1 13 13 MET H H 1 8.498 . . 1 . . . . . . . . . 5563 1 130 . 1 1 13 13 MET CA C 13 55.405 . . 1 . . . . . . . . . 5563 1 131 . 1 1 13 13 MET HA H 1 4.510 . . 1 . . . . . . . . . 5563 1 132 . 1 1 13 13 MET CB C 13 33.020 . . 1 . . . . . . . . . 5563 1 133 . 1 1 13 13 MET HB3 H 1 1.987 . . 1 . . . . . . . . . 5563 1 134 . 1 1 13 13 MET HB2 H 1 1.987 . . 1 . . . . . . . . . 5563 1 135 . 1 1 13 13 MET CG C 13 32.030 . . 1 . . . . . . . . . 5563 1 136 . 1 1 13 13 MET HG3 H 1 2.490 . . 2 . . . . . . . . . 5563 1 137 . 1 1 13 13 MET HG2 H 1 2.549 . . 2 . . . . . . . . . 5563 1 138 . 1 1 13 13 MET C C 13 176.088 . . 1 . . . . . . . . . 5563 1 139 . 1 1 14 14 THR N N 15 115.660 . . 1 . . . . . . . . . 5563 1 140 . 1 1 14 14 THR H H 1 8.119 . . 1 . . . . . . . . . 5563 1 141 . 1 1 14 14 THR CA C 13 61.536 . . 1 . . . . . . . . . 5563 1 142 . 1 1 14 14 THR HA H 1 4.324 . . 1 . . . . . . . . . 5563 1 143 . 1 1 14 14 THR CB C 13 70.000 . . 1 . . . . . . . . . 5563 1 144 . 1 1 14 14 THR HB H 1 4.151 . . 1 . . . . . . . . . 5563 1 145 . 1 1 14 14 THR CG2 C 13 21.605 . . 1 . . . . . . . . . 5563 1 146 . 1 1 14 14 THR HG21 H 1 1.128 . . 1 . . . . . . . . . 5563 1 147 . 1 1 14 14 THR HG22 H 1 1.128 . . 1 . . . . . . . . . 5563 1 148 . 1 1 14 14 THR HG23 H 1 1.128 . . 1 . . . . . . . . . 5563 1 149 . 1 1 14 14 THR C C 13 174.003 . . 1 . . . . . . . . . 5563 1 150 . 1 1 15 15 PHE N N 15 122.371 . . 1 . . . . . . . . . 5563 1 151 . 1 1 15 15 PHE H H 1 8.408 . . 1 . . . . . . . . . 5563 1 152 . 1 1 15 15 PHE CA C 13 58.017 . . 1 . . . . . . . . . 5563 1 153 . 1 1 15 15 PHE HA H 1 4.650 . . 1 . . . . . . . . . 5563 1 154 . 1 1 15 15 PHE CB C 13 39.953 . . 1 . . . . . . . . . 5563 1 155 . 1 1 15 15 PHE HB3 H 1 3.187 . . 2 . . . . . . . . . 5563 1 156 . 1 1 15 15 PHE HB2 H 1 3.031 . . 2 . . . . . . . . . 5563 1 157 . 1 1 15 15 PHE CD1 C 13 131.658 . . 3 . . . . . . . . . 5563 1 158 . 1 1 15 15 PHE HD1 H 1 7.361 . . 3 . . . . . . . . . 5563 1 159 . 1 1 15 15 PHE CE1 C 13 131.786 . . 3 . . . . . . . . . 5563 1 160 . 1 1 15 15 PHE HE1 H 1 7.276 . . 3 . . . . . . . . . 5563 1 161 . 1 1 15 15 PHE CZ C 13 131.786 . . 1 . . . . . . . . . 5563 1 162 . 1 1 15 15 PHE HZ H 1 7.319 . . 1 . . . . . . . . . 5563 1 163 . 1 1 15 15 PHE C C 13 176.223 . . 1 . . . . . . . . . 5563 1 164 . 1 1 16 16 GLY N N 15 110.752 . . 1 . . . . . . . . . 5563 1 165 . 1 1 16 16 GLY H H 1 8.412 . . 1 . . . . . . . . . 5563 1 166 . 1 1 16 16 GLY CA C 13 45.355 . . 1 . . . . . . . . . 5563 1 167 . 1 1 16 16 GLY HA3 H 1 3.870 . . 2 . . . . . . . . . 5563 1 168 . 1 1 16 16 GLY HA2 H 1 3.964 . . 2 . . . . . . . . . 5563 1 169 . 1 1 16 16 GLY C C 13 174.070 . . 1 . . . . . . . . . 5563 1 170 . 1 1 17 17 GLU N N 15 120.521 . . 1 . . . . . . . . . 5563 1 171 . 1 1 17 17 GLU H H 1 8.299 . . 1 . . . . . . . . . 5563 1 172 . 1 1 17 17 GLU CA C 13 56.640 . . 1 . . . . . . . . . 5563 1 173 . 1 1 17 17 GLU HA H 1 4.275 . . 1 . . . . . . . . . 5563 1 174 . 1 1 17 17 GLU CB C 13 30.230 . . 1 . . . . . . . . . 5563 1 175 . 1 1 17 17 GLU HB3 H 1 1.950 . . 1 . . . . . . . . . 5563 1 176 . 1 1 17 17 GLU HB2 H 1 1.950 . . 1 . . . . . . . . . 5563 1 177 . 1 1 17 17 GLU CG C 13 32.830 . . 1 . . . . . . . . . 5563 1 178 . 1 1 17 17 GLU HG3 H 1 2.248 . . 1 . . . . . . . . . 5563 1 179 . 1 1 17 17 GLU HG2 H 1 2.248 . . 1 . . . . . . . . . 5563 1 180 . 1 1 17 17 GLU C C 13 176.342 . . 1 . . . . . . . . . 5563 1 181 . 1 1 18 18 ASN N N 15 119.788 . . 1 . . . . . . . . . 5563 1 182 . 1 1 18 18 ASN H H 1 8.575 . . 1 . . . . . . . . . 5563 1 183 . 1 1 18 18 ASN CA C 13 53.350 . . 1 . . . . . . . . . 5563 1 184 . 1 1 18 18 ASN HA H 1 4.696 . . 1 . . . . . . . . . 5563 1 185 . 1 1 18 18 ASN CB C 13 38.690 . . 1 . . . . . . . . . 5563 1 186 . 1 1 18 18 ASN HB3 H 1 2.763 . . 2 . . . . . . . . . 5563 1 187 . 1 1 18 18 ASN HB2 H 1 2.865 . . 2 . . . . . . . . . 5563 1 188 . 1 1 18 18 ASN ND2 N 15 113.124 . . 1 . . . . . . . . . 5563 1 189 . 1 1 18 18 ASN HD21 H 1 7.647 . . 2 . . . . . . . . . 5563 1 190 . 1 1 18 18 ASN HD22 H 1 6.970 . . 2 . . . . . . . . . 5563 1 191 . 1 1 18 18 ASN C C 13 175.370 . . 1 . . . . . . . . . 5563 1 192 . 1 1 19 19 ARG N N 15 121.908 . . 1 . . . . . . . . . 5563 1 193 . 1 1 19 19 ARG H H 1 8.391 . . 1 . . . . . . . . . 5563 1 194 . 1 1 19 19 ARG CA C 13 56.484 . . 1 . . . . . . . . . 5563 1 195 . 1 1 19 19 ARG HA H 1 4.330 . . 1 . . . . . . . . . 5563 1 196 . 1 1 19 19 ARG CB C 13 30.500 . . 1 . . . . . . . . . 5563 1 197 . 1 1 19 19 ARG HB3 H 1 1.750 . . 2 . . . . . . . . . 5563 1 198 . 1 1 19 19 ARG HB2 H 1 1.850 . . 2 . . . . . . . . . 5563 1 199 . 1 1 19 19 ARG CG C 13 27.051 . . 1 . . . . . . . . . 5563 1 200 . 1 1 19 19 ARG HG3 H 1 1.616 . . 1 . . . . . . . . . 5563 1 201 . 1 1 19 19 ARG HG2 H 1 1.616 . . 1 . . . . . . . . . 5563 1 202 . 1 1 19 19 ARG CD C 13 43.373 . . 1 . . . . . . . . . 5563 1 203 . 1 1 19 19 ARG HD3 H 1 3.189 . . 1 . . . . . . . . . 5563 1 204 . 1 1 19 19 ARG HD2 H 1 3.189 . . 1 . . . . . . . . . 5563 1 205 . 1 1 19 19 ARG C C 13 176.237 . . 1 . . . . . . . . . 5563 1 206 . 1 1 20 20 ASP N N 15 120.697 . . 1 . . . . . . . . . 5563 1 207 . 1 1 20 20 ASP H H 1 8.374 . . 1 . . . . . . . . . 5563 1 208 . 1 1 20 20 ASP CA C 13 54.758 . . 1 . . . . . . . . . 5563 1 209 . 1 1 20 20 ASP HA H 1 4.572 . . 1 . . . . . . . . . 5563 1 210 . 1 1 20 20 ASP CB C 13 40.873 . . 1 . . . . . . . . . 5563 1 211 . 1 1 20 20 ASP HB3 H 1 2.745 . . 2 . . . . . . . . . 5563 1 212 . 1 1 20 20 ASP HB2 H 1 2.616 . . 2 . . . . . . . . . 5563 1 213 . 1 1 20 20 ASP C C 13 176.428 . . 1 . . . . . . . . . 5563 1 214 . 1 1 21 21 LEU N N 15 121.911 . . 1 . . . . . . . . . 5563 1 215 . 1 1 21 21 LEU H H 1 8.085 . . 1 . . . . . . . . . 5563 1 216 . 1 1 21 21 LEU CA C 13 55.456 . . 1 . . . . . . . . . 5563 1 217 . 1 1 21 21 LEU HA H 1 4.285 . . 1 . . . . . . . . . 5563 1 218 . 1 1 21 21 LEU CB C 13 42.220 . . 1 . . . . . . . . . 5563 1 219 . 1 1 21 21 LEU HB3 H 1 1.637 . . 1 . . . . . . . . . 5563 1 220 . 1 1 21 21 LEU HB2 H 1 1.637 . . 1 . . . . . . . . . 5563 1 221 . 1 1 21 21 LEU CD1 C 13 24.947 . . 1 . . . . . . . . . 5563 1 222 . 1 1 21 21 LEU HD11 H 1 0.935 . . 2 . . . . . . . . . 5563 1 223 . 1 1 21 21 LEU HD12 H 1 0.935 . . 2 . . . . . . . . . 5563 1 224 . 1 1 21 21 LEU HD13 H 1 0.935 . . 2 . . . . . . . . . 5563 1 225 . 1 1 21 21 LEU CD2 C 13 23.223 . . 1 . . . . . . . . . 5563 1 226 . 1 1 21 21 LEU HD21 H 1 0.859 . . 2 . . . . . . . . . 5563 1 227 . 1 1 21 21 LEU HD22 H 1 0.859 . . 2 . . . . . . . . . 5563 1 228 . 1 1 21 21 LEU HD23 H 1 0.859 . . 2 . . . . . . . . . 5563 1 229 . 1 1 21 21 LEU C C 13 177.637 . . 1 . . . . . . . . . 5563 1 230 . 1 1 22 22 GLU N N 15 120.691 . . 1 . . . . . . . . . 5563 1 231 . 1 1 22 22 GLU H H 1 8.267 . . 1 . . . . . . . . . 5563 1 232 . 1 1 22 22 GLU CA C 13 56.694 . . 1 . . . . . . . . . 5563 1 233 . 1 1 22 22 GLU HA H 1 4.268 . . 1 . . . . . . . . . 5563 1 234 . 1 1 22 22 GLU CB C 13 30.093 . . 1 . . . . . . . . . 5563 1 235 . 1 1 22 22 GLU HB3 H 1 1.951 . . 2 . . . . . . . . . 5563 1 236 . 1 1 22 22 GLU HB2 H 1 2.043 . . 2 . . . . . . . . . 5563 1 237 . 1 1 22 22 GLU CG C 13 36.146 . . 1 . . . . . . . . . 5563 1 238 . 1 1 22 22 GLU HG3 H 1 2.258 . . 2 . . . . . . . . . 5563 1 239 . 1 1 22 22 GLU HG2 H 1 2.289 . . 2 . . . . . . . . . 5563 1 240 . 1 1 22 22 GLU C C 13 176.376 . . 1 . . . . . . . . . 5563 1 241 . 1 1 23 23 ARG N N 15 121.601 . . 1 . . . . . . . . . 5563 1 242 . 1 1 23 23 ARG H H 1 8.145 . . 1 . . . . . . . . . 5563 1 243 . 1 1 23 23 ARG CA C 13 56.065 . . 1 . . . . . . . . . 5563 1 244 . 1 1 23 23 ARG HA H 1 4.294 . . 1 . . . . . . . . . 5563 1 245 . 1 1 23 23 ARG CB C 13 30.694 . . 1 . . . . . . . . . 5563 1 246 . 1 1 23 23 ARG HB3 H 1 1.758 . . 1 . . . . . . . . . 5563 1 247 . 1 1 23 23 ARG HB2 H 1 1.758 . . 1 . . . . . . . . . 5563 1 248 . 1 1 23 23 ARG CG C 13 27.050 . . 1 . . . . . . . . . 5563 1 249 . 1 1 23 23 ARG HG3 H 1 1.608 . . 1 . . . . . . . . . 5563 1 250 . 1 1 23 23 ARG HG2 H 1 1.608 . . 1 . . . . . . . . . 5563 1 251 . 1 1 23 23 ARG CD C 13 43.390 . . 1 . . . . . . . . . 5563 1 252 . 1 1 23 23 ARG HD3 H 1 3.185 . . 1 . . . . . . . . . 5563 1 253 . 1 1 23 23 ARG HD2 H 1 3.185 . . 1 . . . . . . . . . 5563 1 254 . 1 1 23 23 ARG C C 13 176.020 . . 1 . . . . . . . . . 5563 1 255 . 1 1 24 24 VAL N N 15 122.671 . . 1 . . . . . . . . . 5563 1 256 . 1 1 24 24 VAL H H 1 8.196 . . 1 . . . . . . . . . 5563 1 257 . 1 1 24 24 VAL CA C 13 62.450 . . 1 . . . . . . . . . 5563 1 258 . 1 1 24 24 VAL HA H 1 4.123 . . 1 . . . . . . . . . 5563 1 259 . 1 1 24 24 VAL CB C 13 32.655 . . 1 . . . . . . . . . 5563 1 260 . 1 1 24 24 VAL HB H 1 2.077 . . 1 . . . . . . . . . 5563 1 261 . 1 1 24 24 VAL CG2 C 13 20.950 . . 1 . . . . . . . . . 5563 1 262 . 1 1 24 24 VAL HG21 H 1 0.947 . . 2 . . . . . . . . . 5563 1 263 . 1 1 24 24 VAL HG22 H 1 0.947 . . 2 . . . . . . . . . 5563 1 264 . 1 1 24 24 VAL HG23 H 1 0.947 . . 2 . . . . . . . . . 5563 1 265 . 1 1 24 24 VAL CG1 C 13 20.950 . . 1 . . . . . . . . . 5563 1 266 . 1 1 24 24 VAL HG11 H 1 0.974 . . 2 . . . . . . . . . 5563 1 267 . 1 1 24 24 VAL HG12 H 1 0.974 . . 2 . . . . . . . . . 5563 1 268 . 1 1 24 24 VAL HG13 H 1 0.974 . . 2 . . . . . . . . . 5563 1 269 . 1 1 24 24 VAL C C 13 176.223 . . 1 . . . . . . . . . 5563 1 270 . 1 1 25 25 VAL N N 15 125.334 . . 1 . . . . . . . . . 5563 1 271 . 1 1 25 25 VAL H H 1 8.393 . . 1 . . . . . . . . . 5563 1 272 . 1 1 25 25 VAL CA C 13 62.364 . . 1 . . . . . . . . . 5563 1 273 . 1 1 25 25 VAL HA H 1 4.194 . . 1 . . . . . . . . . 5563 1 274 . 1 1 25 25 VAL CB C 13 32.640 . . 1 . . . . . . . . . 5563 1 275 . 1 1 25 25 VAL HB H 1 2.074 . . 1 . . . . . . . . . 5563 1 276 . 1 1 25 25 VAL CG2 C 13 21.034 . . 1 . . . . . . . . . 5563 1 277 . 1 1 25 25 VAL HG21 H 1 0.961 . . 1 . . . . . . . . . 5563 1 278 . 1 1 25 25 VAL HG22 H 1 0.961 . . 1 . . . . . . . . . 5563 1 279 . 1 1 25 25 VAL HG23 H 1 0.961 . . 1 . . . . . . . . . 5563 1 280 . 1 1 25 25 VAL CG1 C 13 21.034 . . 1 . . . . . . . . . 5563 1 281 . 1 1 25 25 VAL HG11 H 1 0.961 . . 1 . . . . . . . . . 5563 1 282 . 1 1 25 25 VAL HG12 H 1 0.961 . . 1 . . . . . . . . . 5563 1 283 . 1 1 25 25 VAL HG13 H 1 0.961 . . 1 . . . . . . . . . 5563 1 284 . 1 1 25 25 VAL C C 13 176.342 . . 1 . . . . . . . . . 5563 1 285 . 1 1 26 26 THR N N 15 119.336 . . 1 . . . . . . . . . 5563 1 286 . 1 1 26 26 THR H H 1 8.258 . . 1 . . . . . . . . . 5563 1 287 . 1 1 26 26 THR CA C 13 61.483 . . 1 . . . . . . . . . 5563 1 288 . 1 1 26 26 THR HA H 1 4.320 . . 1 . . . . . . . . . 5563 1 289 . 1 1 26 26 THR CB C 13 69.826 . . 1 . . . . . . . . . 5563 1 290 . 1 1 26 26 THR HB H 1 4.212 . . 1 . . . . . . . . . 5563 1 291 . 1 1 26 26 THR CG2 C 13 21.623 . . 1 . . . . . . . . . 5563 1 292 . 1 1 26 26 THR HG21 H 1 1.205 . . 1 . . . . . . . . . 5563 1 293 . 1 1 26 26 THR HG22 H 1 1.205 . . 1 . . . . . . . . . 5563 1 294 . 1 1 26 26 THR HG23 H 1 1.205 . . 1 . . . . . . . . . 5563 1 295 . 1 1 26 26 THR C C 13 173.728 . . 1 . . . . . . . . . 5563 1 296 . 1 1 27 27 ALA N N 15 128.383 . . 1 . . . . . . . . . 5563 1 297 . 1 1 27 27 ALA H H 1 8.338 . . 1 . . . . . . . . . 5563 1 298 . 1 1 27 27 ALA CA C 13 50.500 . . 1 . . . . . . . . . 5563 1 299 . 1 1 27 27 ALA HA H 1 4.607 . . 1 . . . . . . . . . 5563 1 300 . 1 1 27 27 ALA CB C 13 18.103 . . 1 . . . . . . . . . 5563 1 301 . 1 1 27 27 ALA HB1 H 1 1.370 . . 1 . . . . . . . . . 5563 1 302 . 1 1 27 27 ALA HB2 H 1 1.370 . . 1 . . . . . . . . . 5563 1 303 . 1 1 27 27 ALA HB3 H 1 1.370 . . 1 . . . . . . . . . 5563 1 304 . 1 1 27 27 ALA C C 13 175.321 . . 1 . . . . . . . . . 5563 1 305 . 1 1 28 28 PRO CA C 13 62.856 . . 1 . . . . . . . . . 5563 1 306 . 1 1 28 28 PRO HA H 1 4.473 . . 1 . . . . . . . . . 5563 1 307 . 1 1 28 28 PRO CB C 13 32.015 . . 1 . . . . . . . . . 5563 1 308 . 1 1 28 28 PRO HB3 H 1 2.301 . . 2 . . . . . . . . . 5563 1 309 . 1 1 28 28 PRO HB2 H 1 1.908 . . 2 . . . . . . . . . 5563 1 310 . 1 1 28 28 PRO CG C 13 27.402 . . 1 . . . . . . . . . 5563 1 311 . 1 1 28 28 PRO HG3 H 1 2.032 . . 1 . . . . . . . . . 5563 1 312 . 1 1 28 28 PRO HG2 H 1 2.032 . . 1 . . . . . . . . . 5563 1 313 . 1 1 28 28 PRO CD C 13 50.490 . . 1 . . . . . . . . . 5563 1 314 . 1 1 28 28 PRO HD3 H 1 3.651 . . 2 . . . . . . . . . 5563 1 315 . 1 1 28 28 PRO HD2 H 1 3.811 . . 2 . . . . . . . . . 5563 1 316 . 1 1 28 28 PRO C C 13 176.996 . . 1 . . . . . . . . . 5563 1 317 . 1 1 29 29 VAL N N 15 120.712 . . 1 . . . . . . . . . 5563 1 318 . 1 1 29 29 VAL H H 1 8.322 . . 1 . . . . . . . . . 5563 1 319 . 1 1 29 29 VAL CA C 13 62.400 . . 1 . . . . . . . . . 5563 1 320 . 1 1 29 29 VAL HA H 1 4.125 . . 1 . . . . . . . . . 5563 1 321 . 1 1 29 29 VAL CB C 13 32.789 . . 1 . . . . . . . . . 5563 1 322 . 1 1 29 29 VAL HB H 1 2.078 . . 1 . . . . . . . . . 5563 1 323 . 1 1 29 29 VAL HG21 H 1 0.964 . . 1 . . . . . . . . . 5563 1 324 . 1 1 29 29 VAL HG22 H 1 0.964 . . 1 . . . . . . . . . 5563 1 325 . 1 1 29 29 VAL HG23 H 1 0.964 . . 1 . . . . . . . . . 5563 1 326 . 1 1 29 29 VAL HG11 H 1 0.964 . . 1 . . . . . . . . . 5563 1 327 . 1 1 29 29 VAL HG12 H 1 0.964 . . 1 . . . . . . . . . 5563 1 328 . 1 1 29 29 VAL HG13 H 1 0.964 . . 1 . . . . . . . . . 5563 1 329 . 1 1 29 29 VAL C C 13 176.411 . . 1 . . . . . . . . . 5563 1 330 . 1 1 30 30 SER N N 15 119.592 . . 1 . . . . . . . . . 5563 1 331 . 1 1 30 30 SER H H 1 8.467 . . 1 . . . . . . . . . 5563 1 332 . 1 1 30 30 SER CA C 13 57.983 . . 1 . . . . . . . . . 5563 1 333 . 1 1 30 30 SER HA H 1 4.540 . . 1 . . . . . . . . . 5563 1 334 . 1 1 30 30 SER CB C 13 64.000 . . 1 . . . . . . . . . 5563 1 335 . 1 1 30 30 SER HB3 H 1 3.924 . . 1 . . . . . . . . . 5563 1 336 . 1 1 30 30 SER HB2 H 1 3.924 . . 1 . . . . . . . . . 5563 1 337 . 1 1 30 30 SER C C 13 174.671 . . 1 . . . . . . . . . 5563 1 338 . 1 1 31 31 SER N N 15 118.902 . . 1 . . . . . . . . . 5563 1 339 . 1 1 31 31 SER H H 1 8.624 . . 1 . . . . . . . . . 5563 1 340 . 1 1 31 31 SER CA C 13 58.761 . . 1 . . . . . . . . . 5563 1 341 . 1 1 31 31 SER HA H 1 4.510 . . 1 . . . . . . . . . 5563 1 342 . 1 1 31 31 SER CB C 13 64.240 . . 1 . . . . . . . . . 5563 1 343 . 1 1 31 31 SER HB3 H 1 3.928 . . 2 . . . . . . . . . 5563 1 344 . 1 1 31 31 SER HB2 H 1 3.960 . . 2 . . . . . . . . . 5563 1 345 . 1 1 31 31 SER C C 13 175.173 . . 1 . . . . . . . . . 5563 1 346 . 1 1 32 32 GLY N N 15 111.041 . . 1 . . . . . . . . . 5563 1 347 . 1 1 32 32 GLY H H 1 8.554 . . 1 . . . . . . . . . 5563 1 348 . 1 1 32 32 GLY CA C 13 45.350 . . 1 . . . . . . . . . 5563 1 349 . 1 1 32 32 GLY HA3 H 1 4.000 . . 1 . . . . . . . . . 5563 1 350 . 1 1 32 32 GLY HA2 H 1 4.000 . . 1 . . . . . . . . . 5563 1 351 . 1 1 32 32 GLY C C 13 173.953 . . 1 . . . . . . . . . 5563 1 352 . 1 1 33 33 LYS N N 15 121.324 . . 1 . . . . . . . . . 5563 1 353 . 1 1 33 33 LYS H H 1 8.350 . . 1 . . . . . . . . . 5563 1 354 . 1 1 33 33 LYS CA C 13 56.134 . . 1 . . . . . . . . . 5563 1 355 . 1 1 33 33 LYS HA H 1 4.390 . . 1 . . . . . . . . . 5563 1 356 . 1 1 33 33 LYS CB C 13 33.078 . . 1 . . . . . . . . . 5563 1 357 . 1 1 33 33 LYS HB3 H 1 1.747 . . 2 . . . . . . . . . 5563 1 358 . 1 1 33 33 LYS HB2 H 1 1.810 . . 2 . . . . . . . . . 5563 1 359 . 1 1 33 33 LYS CG C 13 24.840 . . 1 . . . . . . . . . 5563 1 360 . 1 1 33 33 LYS HG3 H 1 1.434 . . 1 . . . . . . . . . 5563 1 361 . 1 1 33 33 LYS HG2 H 1 1.434 . . 1 . . . . . . . . . 5563 1 362 . 1 1 33 33 LYS CD C 13 29.136 . . 1 . . . . . . . . . 5563 1 363 . 1 1 33 33 LYS HD3 H 1 1.707 . . 1 . . . . . . . . . 5563 1 364 . 1 1 33 33 LYS HD2 H 1 1.707 . . 1 . . . . . . . . . 5563 1 365 . 1 1 33 33 LYS CE C 13 42.147 . . 1 . . . . . . . . . 5563 1 366 . 1 1 33 33 LYS HE3 H 1 3.011 . . 1 . . . . . . . . . 5563 1 367 . 1 1 33 33 LYS HE2 H 1 3.011 . . 1 . . . . . . . . . 5563 1 368 . 1 1 33 33 LYS C C 13 175.869 . . 1 . . . . . . . . . 5563 1 369 . 1 1 34 34 ILE N N 15 122.270 . . 1 . . . . . . . . . 5563 1 370 . 1 1 34 34 ILE H H 1 8.227 . . 1 . . . . . . . . . 5563 1 371 . 1 1 34 34 ILE CA C 13 59.622 . . 1 . . . . . . . . . 5563 1 372 . 1 1 34 34 ILE HA H 1 4.500 . . 1 . . . . . . . . . 5563 1 373 . 1 1 34 34 ILE CB C 13 39.556 . . 1 . . . . . . . . . 5563 1 374 . 1 1 34 34 ILE HB H 1 1.757 . . 1 . . . . . . . . . 5563 1 375 . 1 1 34 34 ILE CG1 C 13 27.164 . . 2 . . . . . . . . . 5563 1 376 . 1 1 34 34 ILE HG13 H 1 1.417 . . 1 . . . . . . . . . 5563 1 377 . 1 1 34 34 ILE HG12 H 1 1.203 . . 1 . . . . . . . . . 5563 1 378 . 1 1 34 34 ILE CD1 C 13 12.025 . . 1 . . . . . . . . . 5563 1 379 . 1 1 34 34 ILE HD11 H 1 0.737 . . 1 . . . . . . . . . 5563 1 380 . 1 1 34 34 ILE HD12 H 1 0.737 . . 1 . . . . . . . . . 5563 1 381 . 1 1 34 34 ILE HD13 H 1 0.737 . . 1 . . . . . . . . . 5563 1 382 . 1 1 34 34 ILE CG2 C 13 17.926 . . 1 . . . . . . . . . 5563 1 383 . 1 1 34 34 ILE HG21 H 1 0.714 . . 1 . . . . . . . . . 5563 1 384 . 1 1 34 34 ILE HG22 H 1 0.714 . . 1 . . . . . . . . . 5563 1 385 . 1 1 34 34 ILE HG23 H 1 0.714 . . 1 . . . . . . . . . 5563 1 386 . 1 1 34 34 ILE C C 13 175.715 . . 1 . . . . . . . . . 5563 1 387 . 1 1 35 35 LYS N N 15 128.204 . . 1 . . . . . . . . . 5563 1 388 . 1 1 35 35 LYS H H 1 9.421 . . 1 . . . . . . . . . 5563 1 389 . 1 1 35 35 LYS CA C 13 53.767 . . 1 . . . . . . . . . 5563 1 390 . 1 1 35 35 LYS HA H 1 4.533 . . 1 . . . . . . . . . 5563 1 391 . 1 1 35 35 LYS CB C 13 34.249 . . 1 . . . . . . . . . 5563 1 392 . 1 1 35 35 LYS HB3 H 1 1.474 . . 1 . . . . . . . . . 5563 1 393 . 1 1 35 35 LYS HB2 H 1 1.474 . . 1 . . . . . . . . . 5563 1 394 . 1 1 35 35 LYS CG C 13 24.014 . . 1 . . . . . . . . . 5563 1 395 . 1 1 35 35 LYS HG3 H 1 1.206 . . 2 . . . . . . . . . 5563 1 396 . 1 1 35 35 LYS HG2 H 1 0.960 . . 2 . . . . . . . . . 5563 1 397 . 1 1 35 35 LYS CD C 13 28.260 . . 1 . . . . . . . . . 5563 1 398 . 1 1 35 35 LYS HD3 H 1 1.528 . . 2 . . . . . . . . . 5563 1 399 . 1 1 35 35 LYS HD2 H 1 1.435 . . 2 . . . . . . . . . 5563 1 400 . 1 1 35 35 LYS CE C 13 41.910 . . 1 . . . . . . . . . 5563 1 401 . 1 1 35 35 LYS HE3 H 1 2.800 . . 1 . . . . . . . . . 5563 1 402 . 1 1 35 35 LYS HE2 H 1 2.800 . . 1 . . . . . . . . . 5563 1 403 . 1 1 35 35 LYS C C 13 174.468 . . 1 . . . . . . . . . 5563 1 404 . 1 1 36 36 ARG N N 15 125.839 . . 1 . . . . . . . . . 5563 1 405 . 1 1 36 36 ARG H H 1 8.454 . . 1 . . . . . . . . . 5563 1 406 . 1 1 36 36 ARG CA C 13 56.451 . . 1 . . . . . . . . . 5563 1 407 . 1 1 36 36 ARG HA H 1 4.601 . . 1 . . . . . . . . . 5563 1 408 . 1 1 36 36 ARG CB C 13 30.125 . . 1 . . . . . . . . . 5563 1 409 . 1 1 36 36 ARG HB3 H 1 1.819 . . 1 . . . . . . . . . 5563 1 410 . 1 1 36 36 ARG HB2 H 1 1.819 . . 1 . . . . . . . . . 5563 1 411 . 1 1 36 36 ARG CG C 13 27.510 . . 1 . . . . . . . . . 5563 1 412 . 1 1 36 36 ARG HG3 H 1 1.605 . . 1 . . . . . . . . . 5563 1 413 . 1 1 36 36 ARG HG2 H 1 1.605 . . 1 . . . . . . . . . 5563 1 414 . 1 1 36 36 ARG CD C 13 43.624 . . 1 . . . . . . . . . 5563 1 415 . 1 1 36 36 ARG HD3 H 1 3.189 . . 2 . . . . . . . . . 5563 1 416 . 1 1 36 36 ARG HD2 H 1 3.100 . . 2 . . . . . . . . . 5563 1 417 . 1 1 36 36 ARG C C 13 176.122 . . 1 . . . . . . . . . 5563 1 418 . 1 1 37 37 VAL N N 15 126.997 . . 1 . . . . . . . . . 5563 1 419 . 1 1 37 37 VAL H H 1 8.585 . . 1 . . . . . . . . . 5563 1 420 . 1 1 37 37 VAL CA C 13 61.224 . . 1 . . . . . . . . . 5563 1 421 . 1 1 37 37 VAL HA H 1 4.143 . . 1 . . . . . . . . . 5563 1 422 . 1 1 37 37 VAL CB C 13 34.440 . . 1 . . . . . . . . . 5563 1 423 . 1 1 37 37 VAL HB H 1 2.203 . . 1 . . . . . . . . . 5563 1 424 . 1 1 37 37 VAL CG2 C 13 21.048 . . 1 . . . . . . . . . 5563 1 425 . 1 1 37 37 VAL HG21 H 1 0.824 . . 2 . . . . . . . . . 5563 1 426 . 1 1 37 37 VAL HG22 H 1 0.824 . . 2 . . . . . . . . . 5563 1 427 . 1 1 37 37 VAL HG23 H 1 0.824 . . 2 . . . . . . . . . 5563 1 428 . 1 1 37 37 VAL CG1 C 13 22.055 . . 1 . . . . . . . . . 5563 1 429 . 1 1 37 37 VAL HG11 H 1 0.662 . . 2 . . . . . . . . . 5563 1 430 . 1 1 37 37 VAL HG12 H 1 0.662 . . 2 . . . . . . . . . 5563 1 431 . 1 1 37 37 VAL HG13 H 1 0.662 . . 2 . . . . . . . . . 5563 1 432 . 1 1 37 37 VAL C C 13 173.834 . . 1 . . . . . . . . . 5563 1 433 . 1 1 38 38 ASN N N 15 124.221 . . 1 . . . . . . . . . 5563 1 434 . 1 1 38 38 ASN H H 1 8.464 . . 1 . . . . . . . . . 5563 1 435 . 1 1 38 38 ASN CA C 13 53.651 . . 1 . . . . . . . . . 5563 1 436 . 1 1 38 38 ASN HA H 1 5.102 . . 1 . . . . . . . . . 5563 1 437 . 1 1 38 38 ASN CB C 13 40.560 . . 1 . . . . . . . . . 5563 1 438 . 1 1 38 38 ASN HB3 H 1 2.460 . . 1 . . . . . . . . . 5563 1 439 . 1 1 38 38 ASN HB2 H 1 2.460 . . 1 . . . . . . . . . 5563 1 440 . 1 1 38 38 ASN ND2 N 15 112.571 . . 1 . . . . . . . . . 5563 1 441 . 1 1 38 38 ASN HD21 H 1 7.281 . . 2 . . . . . . . . . 5563 1 442 . 1 1 38 38 ASN HD22 H 1 6.619 . . 2 . . . . . . . . . 5563 1 443 . 1 1 38 38 ASN C C 13 174.595 . . 1 . . . . . . . . . 5563 1 444 . 1 1 39 39 VAL N N 15 125.145 . . 1 . . . . . . . . . 5563 1 445 . 1 1 39 39 VAL H H 1 9.190 . . 1 . . . . . . . . . 5563 1 446 . 1 1 39 39 VAL CA C 13 61.204 . . 1 . . . . . . . . . 5563 1 447 . 1 1 39 39 VAL HA H 1 3.979 . . 1 . . . . . . . . . 5563 1 448 . 1 1 39 39 VAL CB C 13 34.560 . . 1 . . . . . . . . . 5563 1 449 . 1 1 39 39 VAL HB H 1 1.805 . . 1 . . . . . . . . . 5563 1 450 . 1 1 39 39 VAL CG2 C 13 20.975 . . 1 . . . . . . . . . 5563 1 451 . 1 1 39 39 VAL HG21 H 1 0.772 . . 2 . . . . . . . . . 5563 1 452 . 1 1 39 39 VAL HG22 H 1 0.772 . . 2 . . . . . . . . . 5563 1 453 . 1 1 39 39 VAL HG23 H 1 0.772 . . 2 . . . . . . . . . 5563 1 454 . 1 1 39 39 VAL CG1 C 13 21.964 . . 1 . . . . . . . . . 5563 1 455 . 1 1 39 39 VAL HG11 H 1 0.473 . . 2 . . . . . . . . . 5563 1 456 . 1 1 39 39 VAL HG12 H 1 0.473 . . 2 . . . . . . . . . 5563 1 457 . 1 1 39 39 VAL HG13 H 1 0.473 . . 2 . . . . . . . . . 5563 1 458 . 1 1 39 39 VAL C C 13 174.004 . . 1 . . . . . . . . . 5563 1 459 . 1 1 40 40 ASN N N 15 123.527 . . 1 . . . . . . . . . 5563 1 460 . 1 1 40 40 ASN H H 1 7.713 . . 1 . . . . . . . . . 5563 1 461 . 1 1 40 40 ASN CA C 13 52.374 . . 1 . . . . . . . . . 5563 1 462 . 1 1 40 40 ASN HA H 1 5.174 . . 1 . . . . . . . . . 5563 1 463 . 1 1 40 40 ASN CB C 13 39.042 . . 1 . . . . . . . . . 5563 1 464 . 1 1 40 40 ASN HB3 H 1 2.589 . . 2 . . . . . . . . . 5563 1 465 . 1 1 40 40 ASN HB2 H 1 2.329 . . 2 . . . . . . . . . 5563 1 466 . 1 1 40 40 ASN ND2 N 15 111.766 . . 1 . . . . . . . . . 5563 1 467 . 1 1 40 40 ASN HD21 H 1 7.405 . . 2 . . . . . . . . . 5563 1 468 . 1 1 40 40 ASN HD22 H 1 6.700 . . 2 . . . . . . . . . 5563 1 469 . 1 1 40 40 ASN C C 13 174.954 . . 1 . . . . . . . . . 5563 1 470 . 1 1 41 41 PHE N N 15 122.140 . . 1 . . . . . . . . . 5563 1 471 . 1 1 41 41 PHE H H 1 9.067 . . 1 . . . . . . . . . 5563 1 472 . 1 1 41 41 PHE CA C 13 55.900 . . 1 . . . . . . . . . 5563 1 473 . 1 1 41 41 PHE HA H 1 5.118 . . 1 . . . . . . . . . 5563 1 474 . 1 1 41 41 PHE CB C 13 43.980 . . 1 . . . . . . . . . 5563 1 475 . 1 1 41 41 PHE HB3 H 1 2.814 . . 2 . . . . . . . . . 5563 1 476 . 1 1 41 41 PHE HB2 H 1 3.259 . . 2 . . . . . . . . . 5563 1 477 . 1 1 41 41 PHE CD1 C 13 129.853 . . 3 . . . . . . . . . 5563 1 478 . 1 1 41 41 PHE HD1 H 1 7.327 . . 3 . . . . . . . . . 5563 1 479 . 1 1 41 41 PHE CE1 C 13 129.880 . . 3 . . . . . . . . . 5563 1 480 . 1 1 41 41 PHE HE1 H 1 6.953 . . 3 . . . . . . . . . 5563 1 481 . 1 1 41 41 PHE CZ C 13 128.161 . . 1 . . . . . . . . . 5563 1 482 . 1 1 41 41 PHE HZ H 1 6.883 . . 1 . . . . . . . . . 5563 1 483 . 1 1 41 41 PHE C C 13 175.342 . . 1 . . . . . . . . . 5563 1 484 . 1 1 42 42 ASP N N 15 122.602 . . 1 . . . . . . . . . 5563 1 485 . 1 1 42 42 ASP H H 1 9.210 . . 1 . . . . . . . . . 5563 1 486 . 1 1 42 42 ASP CA C 13 55.013 . . 1 . . . . . . . . . 5563 1 487 . 1 1 42 42 ASP HA H 1 4.810 . . 1 . . . . . . . . . 5563 1 488 . 1 1 42 42 ASP CB C 13 42.511 . . 1 . . . . . . . . . 5563 1 489 . 1 1 42 42 ASP HB3 H 1 2.734 . . 2 . . . . . . . . . 5563 1 490 . 1 1 42 42 ASP HB2 H 1 2.850 . . 2 . . . . . . . . . 5563 1 491 . 1 1 42 42 ASP C C 13 177.511 . . 1 . . . . . . . . . 5563 1 492 . 1 1 43 43 GLU N N 15 125.826 . . 1 . . . . . . . . . 5563 1 493 . 1 1 43 43 GLU H H 1 8.814 . . 1 . . . . . . . . . 5563 1 494 . 1 1 43 43 GLU CA C 13 61.000 . . 1 . . . . . . . . . 5563 1 495 . 1 1 43 43 GLU HA H 1 3.885 . . 1 . . . . . . . . . 5563 1 496 . 1 1 43 43 GLU CB C 13 30.191 . . 1 . . . . . . . . . 5563 1 497 . 1 1 43 43 GLU HB3 H 1 2.100 . . 1 . . . . . . . . . 5563 1 498 . 1 1 43 43 GLU HB2 H 1 2.100 . . 1 . . . . . . . . . 5563 1 499 . 1 1 43 43 GLU CG C 13 36.183 . . 1 . . . . . . . . . 5563 1 500 . 1 1 43 43 GLU HG3 H 1 2.301 . . 1 . . . . . . . . . 5563 1 501 . 1 1 43 43 GLU HG2 H 1 2.301 . . 1 . . . . . . . . . 5563 1 502 . 1 1 43 43 GLU C C 13 177.918 . . 1 . . . . . . . . . 5563 1 503 . 1 1 44 44 GLU N N 15 119.468 . . 1 . . . . . . . . . 5563 1 504 . 1 1 44 44 GLU H H 1 8.706 . . 1 . . . . . . . . . 5563 1 505 . 1 1 44 44 GLU CA C 13 59.784 . . 1 . . . . . . . . . 5563 1 506 . 1 1 44 44 GLU HA H 1 4.184 . . 1 . . . . . . . . . 5563 1 507 . 1 1 44 44 GLU CB C 13 28.768 . . 1 . . . . . . . . . 5563 1 508 . 1 1 44 44 GLU HB3 H 1 2.160 . . 1 . . . . . . . . . 5563 1 509 . 1 1 44 44 GLU HB2 H 1 2.160 . . 1 . . . . . . . . . 5563 1 510 . 1 1 44 44 GLU CG C 13 32.838 . . 1 . . . . . . . . . 5563 1 511 . 1 1 44 44 GLU HG3 H 1 2.393 . . 1 . . . . . . . . . 5563 1 512 . 1 1 44 44 GLU HG2 H 1 2.393 . . 1 . . . . . . . . . 5563 1 513 . 1 1 44 44 GLU C C 13 178.928 . . 1 . . . . . . . . . 5563 1 514 . 1 1 45 45 LYS N N 15 121.508 . . 1 . . . . . . . . . 5563 1 515 . 1 1 45 45 LYS H H 1 7.913 . . 1 . . . . . . . . . 5563 1 516 . 1 1 45 45 LYS CA C 13 59.692 . . 1 . . . . . . . . . 5563 1 517 . 1 1 45 45 LYS HA H 1 3.960 . . 1 . . . . . . . . . 5563 1 518 . 1 1 45 45 LYS CB C 13 32.150 . . 1 . . . . . . . . . 5563 1 519 . 1 1 45 45 LYS HB3 H 1 2.014 . . 1 . . . . . . . . . 5563 1 520 . 1 1 45 45 LYS HB2 H 1 2.014 . . 1 . . . . . . . . . 5563 1 521 . 1 1 45 45 LYS CG C 13 25.307 . . 1 . . . . . . . . . 5563 1 522 . 1 1 45 45 LYS HG3 H 1 1.434 . . 1 . . . . . . . . . 5563 1 523 . 1 1 45 45 LYS HG2 H 1 1.434 . . 1 . . . . . . . . . 5563 1 524 . 1 1 45 45 LYS CD C 13 29.270 . . 1 . . . . . . . . . 5563 1 525 . 1 1 45 45 LYS HD3 H 1 1.822 . . 1 . . . . . . . . . 5563 1 526 . 1 1 45 45 LYS HD2 H 1 1.822 . . 1 . . . . . . . . . 5563 1 527 . 1 1 45 45 LYS CE C 13 41.603 . . 1 . . . . . . . . . 5563 1 528 . 1 1 45 45 LYS HE3 H 1 3.164 . . 2 . . . . . . . . . 5563 1 529 . 1 1 45 45 LYS HE2 H 1 2.891 . . 2 . . . . . . . . . 5563 1 530 . 1 1 45 45 LYS C C 13 178.494 . . 1 . . . . . . . . . 5563 1 531 . 1 1 46 46 HIS N N 15 118.534 . . 1 . . . . . . . . . 5563 1 532 . 1 1 46 46 HIS H H 1 8.839 . . 1 . . . . . . . . . 5563 1 533 . 1 1 46 46 HIS CA C 13 61.503 . . 1 . . . . . . . . . 5563 1 534 . 1 1 46 46 HIS HA H 1 3.863 . . 1 . . . . . . . . . 5563 1 535 . 1 1 46 46 HIS CB C 13 30.100 . . 1 . . . . . . . . . 5563 1 536 . 1 1 46 46 HIS HB3 H 1 3.350 . . 2 . . . . . . . . . 5563 1 537 . 1 1 46 46 HIS HB2 H 1 2.975 . . 2 . . . . . . . . . 5563 1 538 . 1 1 46 46 HIS CD2 C 13 119.770 . . 1 . . . . . . . . . 5563 1 539 . 1 1 46 46 HIS HD2 H 1 6.326 . . 1 . . . . . . . . . 5563 1 540 . 1 1 46 46 HIS CE1 C 13 138.031 . . 1 . . . . . . . . . 5563 1 541 . 1 1 46 46 HIS HE1 H 1 7.705 . . 1 . . . . . . . . . 5563 1 542 . 1 1 46 46 HIS C C 13 176.505 . . 1 . . . . . . . . . 5563 1 543 . 1 1 47 47 THR N N 15 116.759 . . 1 . . . . . . . . . 5563 1 544 . 1 1 47 47 THR H H 1 8.707 . . 1 . . . . . . . . . 5563 1 545 . 1 1 47 47 THR CA C 13 67.006 . . 1 . . . . . . . . . 5563 1 546 . 1 1 47 47 THR HA H 1 3.654 . . 1 . . . . . . . . . 5563 1 547 . 1 1 47 47 THR CB C 13 68.788 . . 1 . . . . . . . . . 5563 1 548 . 1 1 47 47 THR HB H 1 4.428 . . 1 . . . . . . . . . 5563 1 549 . 1 1 47 47 THR CG2 C 13 21.676 . . 1 . . . . . . . . . 5563 1 550 . 1 1 47 47 THR HG21 H 1 1.298 . . 1 . . . . . . . . . 5563 1 551 . 1 1 47 47 THR HG22 H 1 1.298 . . 1 . . . . . . . . . 5563 1 552 . 1 1 47 47 THR HG23 H 1 1.298 . . 1 . . . . . . . . . 5563 1 553 . 1 1 47 47 THR C C 13 177.172 . . 1 . . . . . . . . . 5563 1 554 . 1 1 48 48 ARG N N 15 120.998 . . 1 . . . . . . . . . 5563 1 555 . 1 1 48 48 ARG H H 1 8.028 . . 1 . . . . . . . . . 5563 1 556 . 1 1 48 48 ARG CA C 13 59.369 . . 1 . . . . . . . . . 5563 1 557 . 1 1 48 48 ARG HA H 1 4.156 . . 1 . . . . . . . . . 5563 1 558 . 1 1 48 48 ARG CB C 13 31.483 . . 1 . . . . . . . . . 5563 1 559 . 1 1 48 48 ARG HB3 H 1 2.120 . . 2 . . . . . . . . . 5563 1 560 . 1 1 48 48 ARG HB2 H 1 1.927 . . 2 . . . . . . . . . 5563 1 561 . 1 1 48 48 ARG CG C 13 28.488 . . 1 . . . . . . . . . 5563 1 562 . 1 1 48 48 ARG HG3 H 1 1.923 . . 2 . . . . . . . . . 5563 1 563 . 1 1 48 48 ARG HG2 H 1 1.660 . . 2 . . . . . . . . . 5563 1 564 . 1 1 48 48 ARG CD C 13 44.056 . . 1 . . . . . . . . . 5563 1 565 . 1 1 48 48 ARG HD3 H 1 3.267 . . 2 . . . . . . . . . 5563 1 566 . 1 1 48 48 ARG HD2 H 1 3.388 . . 2 . . . . . . . . . 5563 1 567 . 1 1 48 48 ARG NE N 15 86.820 . . 1 . . . . . . . . . 5563 1 568 . 1 1 48 48 ARG HE H 1 7.465 . . 1 . . . . . . . . . 5563 1 569 . 1 1 48 48 ARG C C 13 179.594 . . 1 . . . . . . . . . 5563 1 570 . 1 1 49 49 PHE N N 15 121.996 . . 1 . . . . . . . . . 5563 1 571 . 1 1 49 49 PHE H H 1 9.059 . . 1 . . . . . . . . . 5563 1 572 . 1 1 49 49 PHE CA C 13 57.684 . . 1 . . . . . . . . . 5563 1 573 . 1 1 49 49 PHE HA H 1 4.888 . . 1 . . . . . . . . . 5563 1 574 . 1 1 49 49 PHE CB C 13 38.987 . . 1 . . . . . . . . . 5563 1 575 . 1 1 49 49 PHE HB3 H 1 3.242 . . 2 . . . . . . . . . 5563 1 576 . 1 1 49 49 PHE HB2 H 1 3.097 . . 2 . . . . . . . . . 5563 1 577 . 1 1 49 49 PHE CD1 C 13 129.994 . . 3 . . . . . . . . . 5563 1 578 . 1 1 49 49 PHE HD1 H 1 6.958 . . 3 . . . . . . . . . 5563 1 579 . 1 1 49 49 PHE CE1 C 13 131.827 . . 3 . . . . . . . . . 5563 1 580 . 1 1 49 49 PHE HE1 H 1 6.508 . . 3 . . . . . . . . . 5563 1 581 . 1 1 49 49 PHE CZ C 13 128.443 . . 1 . . . . . . . . . 5563 1 582 . 1 1 49 49 PHE HZ H 1 6.616 . . 1 . . . . . . . . . 5563 1 583 . 1 1 49 49 PHE C C 13 177.299 . . 1 . . . . . . . . . 5563 1 584 . 1 1 50 50 LYS N N 15 120.654 . . 1 . . . . . . . . . 5563 1 585 . 1 1 50 50 LYS H H 1 9.058 . . 1 . . . . . . . . . 5563 1 586 . 1 1 50 50 LYS CA C 13 60.301 . . 1 . . . . . . . . . 5563 1 587 . 1 1 50 50 LYS HA H 1 3.442 . . 1 . . . . . . . . . 5563 1 588 . 1 1 50 50 LYS CB C 13 32.354 . . 1 . . . . . . . . . 5563 1 589 . 1 1 50 50 LYS HB3 H 1 1.663 . . 2 . . . . . . . . . 5563 1 590 . 1 1 50 50 LYS HB2 H 1 1.394 . . 2 . . . . . . . . . 5563 1 591 . 1 1 50 50 LYS CG C 13 24.840 . . 1 . . . . . . . . . 5563 1 592 . 1 1 50 50 LYS HG3 H 1 1.260 . . 1 . . . . . . . . . 5563 1 593 . 1 1 50 50 LYS HG2 H 1 1.260 . . 1 . . . . . . . . . 5563 1 594 . 1 1 50 50 LYS CD C 13 29.777 . . 1 . . . . . . . . . 5563 1 595 . 1 1 50 50 LYS HD3 H 1 1.553 . . 1 . . . . . . . . . 5563 1 596 . 1 1 50 50 LYS HD2 H 1 1.553 . . 1 . . . . . . . . . 5563 1 597 . 1 1 50 50 LYS CE C 13 41.683 . . 1 . . . . . . . . . 5563 1 598 . 1 1 50 50 LYS HE3 H 1 2.946 . . 2 . . . . . . . . . 5563 1 599 . 1 1 50 50 LYS HE2 H 1 2.859 . . 2 . . . . . . . . . 5563 1 600 . 1 1 50 50 LYS C C 13 179.391 . . 1 . . . . . . . . . 5563 1 601 . 1 1 51 51 ALA N N 15 120.653 . . 1 . . . . . . . . . 5563 1 602 . 1 1 51 51 ALA H H 1 7.802 . . 1 . . . . . . . . . 5563 1 603 . 1 1 51 51 ALA CA C 13 55.162 . . 1 . . . . . . . . . 5563 1 604 . 1 1 51 51 ALA HA H 1 4.218 . . 1 . . . . . . . . . 5563 1 605 . 1 1 51 51 ALA CB C 13 18.066 . . 1 . . . . . . . . . 5563 1 606 . 1 1 51 51 ALA HB1 H 1 1.553 . . 1 . . . . . . . . . 5563 1 607 . 1 1 51 51 ALA HB2 H 1 1.553 . . 1 . . . . . . . . . 5563 1 608 . 1 1 51 51 ALA HB3 H 1 1.553 . . 1 . . . . . . . . . 5563 1 609 . 1 1 51 51 ALA C C 13 180.244 . . 1 . . . . . . . . . 5563 1 610 . 1 1 52 52 ALA N N 15 121.499 . . 1 . . . . . . . . . 5563 1 611 . 1 1 52 52 ALA H H 1 8.264 . . 1 . . . . . . . . . 5563 1 612 . 1 1 52 52 ALA CA C 13 55.185 . . 1 . . . . . . . . . 5563 1 613 . 1 1 52 52 ALA HA H 1 4.310 . . 1 . . . . . . . . . 5563 1 614 . 1 1 52 52 ALA CB C 13 19.540 . . 1 . . . . . . . . . 5563 1 615 . 1 1 52 52 ALA HB1 H 1 1.815 . . 1 . . . . . . . . . 5563 1 616 . 1 1 52 52 ALA HB2 H 1 1.815 . . 1 . . . . . . . . . 5563 1 617 . 1 1 52 52 ALA HB3 H 1 1.815 . . 1 . . . . . . . . . 5563 1 618 . 1 1 52 52 ALA C C 13 180.696 . . 1 . . . . . . . . . 5563 1 619 . 1 1 53 53 CYS N N 15 115.800 . . 1 . . . . . . . . . 5563 1 620 . 1 1 53 53 CYS H H 1 8.436 . . 1 . . . . . . . . . 5563 1 621 . 1 1 53 53 CYS CA C 13 64.871 . . 1 . . . . . . . . . 5563 1 622 . 1 1 53 53 CYS HA H 1 3.977 . . 1 . . . . . . . . . 5563 1 623 . 1 1 53 53 CYS CB C 13 26.027 . . 1 . . . . . . . . . 5563 1 624 . 1 1 53 53 CYS HB3 H 1 2.796 . . 2 . . . . . . . . . 5563 1 625 . 1 1 53 53 CYS HB2 H 1 2.247 . . 2 . . . . . . . . . 5563 1 626 . 1 1 53 53 CYS C C 13 177.059 . . 1 . . . . . . . . . 5563 1 627 . 1 1 54 54 ALA N N 15 122.148 . . 1 . . . . . . . . . 5563 1 628 . 1 1 54 54 ALA H H 1 7.894 . . 1 . . . . . . . . . 5563 1 629 . 1 1 54 54 ALA CA C 13 55.260 . . 1 . . . . . . . . . 5563 1 630 . 1 1 54 54 ALA HA H 1 4.230 . . 1 . . . . . . . . . 5563 1 631 . 1 1 54 54 ALA CB C 13 17.584 . . 1 . . . . . . . . . 5563 1 632 . 1 1 54 54 ALA HB1 H 1 1.533 . . 1 . . . . . . . . . 5563 1 633 . 1 1 54 54 ALA HB2 H 1 1.533 . . 1 . . . . . . . . . 5563 1 634 . 1 1 54 54 ALA HB3 H 1 1.533 . . 1 . . . . . . . . . 5563 1 635 . 1 1 54 54 ALA C C 13 181.783 . . 1 . . . . . . . . . 5563 1 636 . 1 1 55 55 ARG N N 15 118.921 . . 1 . . . . . . . . . 5563 1 637 . 1 1 55 55 ARG H H 1 7.998 . . 1 . . . . . . . . . 5563 1 638 . 1 1 55 55 ARG CA C 13 59.472 . . 1 . . . . . . . . . 5563 1 639 . 1 1 55 55 ARG HA H 1 4.146 . . 1 . . . . . . . . . 5563 1 640 . 1 1 55 55 ARG CB C 13 30.670 . . 1 . . . . . . . . . 5563 1 641 . 1 1 55 55 ARG HB3 H 1 2.124 . . 2 . . . . . . . . . 5563 1 642 . 1 1 55 55 ARG HB2 H 1 1.948 . . 2 . . . . . . . . . 5563 1 643 . 1 1 55 55 ARG CG C 13 28.477 . . 1 . . . . . . . . . 5563 1 644 . 1 1 55 55 ARG HG3 H 1 1.925 . . 1 . . . . . . . . . 5563 1 645 . 1 1 55 55 ARG HG2 H 1 1.925 . . 1 . . . . . . . . . 5563 1 646 . 1 1 55 55 ARG CD C 13 43.980 . . 1 . . . . . . . . . 5563 1 647 . 1 1 55 55 ARG HD3 H 1 3.395 . . 2 . . . . . . . . . 5563 1 648 . 1 1 55 55 ARG HD2 H 1 3.270 . . 2 . . . . . . . . . 5563 1 649 . 1 1 55 55 ARG C C 13 178.283 . . 1 . . . . . . . . . 5563 1 650 . 1 1 56 56 LYS N N 15 115.992 . . 1 . . . . . . . . . 5563 1 651 . 1 1 56 56 LYS H H 1 7.529 . . 1 . . . . . . . . . 5563 1 652 . 1 1 56 56 LYS CA C 13 55.416 . . 1 . . . . . . . . . 5563 1 653 . 1 1 56 56 LYS HA H 1 4.421 . . 1 . . . . . . . . . 5563 1 654 . 1 1 56 56 LYS CB C 13 32.930 . . 1 . . . . . . . . . 5563 1 655 . 1 1 56 56 LYS HB3 H 1 1.926 . . 2 . . . . . . . . . 5563 1 656 . 1 1 56 56 LYS HB2 H 1 2.256 . . 2 . . . . . . . . . 5563 1 657 . 1 1 56 56 LYS HG3 H 1 1.695 . . 4 . . . . . . . . . 5563 1 658 . 1 1 56 56 LYS HG2 H 1 1.695 . . 4 . . . . . . . . . 5563 1 659 . 1 1 56 56 LYS HE3 H 1 2.764 . . 4 . . . . . . . . . 5563 1 660 . 1 1 56 56 LYS C C 13 176.726 . . 1 . . . . . . . . . 5563 1 661 . 1 1 57 57 GLY N N 15 109.148 . . 1 . . . . . . . . . 5563 1 662 . 1 1 57 57 GLY H H 1 7.895 . . 1 . . . . . . . . . 5563 1 663 . 1 1 57 57 GLY CA C 13 46.772 . . 1 . . . . . . . . . 5563 1 664 . 1 1 57 57 GLY HA3 H 1 3.970 . . 2 . . . . . . . . . 5563 1 665 . 1 1 57 57 GLY HA2 H 1 4.026 . . 2 . . . . . . . . . 5563 1 666 . 1 1 57 57 GLY C C 13 174.250 . . 1 . . . . . . . . . 5563 1 667 . 1 1 58 58 THR N N 15 114.972 . . 1 . . . . . . . . . 5563 1 668 . 1 1 58 58 THR H H 1 8.039 . . 1 . . . . . . . . . 5563 1 669 . 1 1 58 58 THR CA C 13 57.825 . . 1 . . . . . . . . . 5563 1 670 . 1 1 58 58 THR HA H 1 4.964 . . 1 . . . . . . . . . 5563 1 671 . 1 1 58 58 THR CB C 13 70.264 . . 1 . . . . . . . . . 5563 1 672 . 1 1 58 58 THR HB H 1 3.971 . . 1 . . . . . . . . . 5563 1 673 . 1 1 58 58 THR CG2 C 13 19.313 . . 1 . . . . . . . . . 5563 1 674 . 1 1 58 58 THR HG21 H 1 1.182 . . 1 . . . . . . . . . 5563 1 675 . 1 1 58 58 THR HG22 H 1 1.182 . . 1 . . . . . . . . . 5563 1 676 . 1 1 58 58 THR HG23 H 1 1.182 . . 1 . . . . . . . . . 5563 1 677 . 1 1 58 58 THR C C 13 171.954 . . 1 . . . . . . . . . 5563 1 678 . 1 1 59 59 SER N N 15 116.821 . . 1 . . . . . . . . . 5563 1 679 . 1 1 59 59 SER H H 1 8.863 . . 1 . . . . . . . . . 5563 1 680 . 1 1 59 59 SER CA C 13 55.787 . . 1 . . . . . . . . . 5563 1 681 . 1 1 59 59 SER HA H 1 4.728 . . 1 . . . . . . . . . 5563 1 682 . 1 1 59 59 SER CB C 13 67.336 . . 1 . . . . . . . . . 5563 1 683 . 1 1 59 59 SER HB3 H 1 4.107 . . 1 . . . . . . . . . 5563 1 684 . 1 1 59 59 SER HB2 H 1 4.107 . . 1 . . . . . . . . . 5563 1 685 . 1 1 59 59 SER C C 13 173.216 . . 1 . . . . . . . . . 5563 1 686 . 1 1 60 60 ILE N N 15 122.833 . . 1 . . . . . . . . . 5563 1 687 . 1 1 60 60 ILE H H 1 8.725 . . 1 . . . . . . . . . 5563 1 688 . 1 1 60 60 ILE CA C 13 65.710 . . 1 . . . . . . . . . 5563 1 689 . 1 1 60 60 ILE HA H 1 3.141 . . 1 . . . . . . . . . 5563 1 690 . 1 1 60 60 ILE CB C 13 37.566 . . 1 . . . . . . . . . 5563 1 691 . 1 1 60 60 ILE HB H 1 1.637 . . 1 . . . . . . . . . 5563 1 692 . 1 1 60 60 ILE CG1 C 13 28.328 . . 2 . . . . . . . . . 5563 1 693 . 1 1 60 60 ILE HG13 H 1 1.276 . . 1 . . . . . . . . . 5563 1 694 . 1 1 60 60 ILE HG12 H 1 -0.244 . . 1 . . . . . . . . . 5563 1 695 . 1 1 60 60 ILE CD1 C 13 13.658 . . 1 . . . . . . . . . 5563 1 696 . 1 1 60 60 ILE HD11 H 1 0.511 . . 1 . . . . . . . . . 5563 1 697 . 1 1 60 60 ILE HD12 H 1 0.511 . . 1 . . . . . . . . . 5563 1 698 . 1 1 60 60 ILE HD13 H 1 0.511 . . 1 . . . . . . . . . 5563 1 699 . 1 1 60 60 ILE CG2 C 13 15.754 . . 1 . . . . . . . . . 5563 1 700 . 1 1 60 60 ILE HG21 H 1 0.628 . . 1 . . . . . . . . . 5563 1 701 . 1 1 60 60 ILE HG22 H 1 0.628 . . 1 . . . . . . . . . 5563 1 702 . 1 1 60 60 ILE HG23 H 1 0.628 . . 1 . . . . . . . . . 5563 1 703 . 1 1 60 60 ILE C C 13 177.894 . . 1 . . . . . . . . . 5563 1 704 . 1 1 61 61 THR N N 15 114.363 . . 1 . . . . . . . . . 5563 1 705 . 1 1 61 61 THR H H 1 8.269 . . 1 . . . . . . . . . 5563 1 706 . 1 1 61 61 THR CA C 13 67.117 . . 1 . . . . . . . . . 5563 1 707 . 1 1 61 61 THR HA H 1 3.830 . . 1 . . . . . . . . . 5563 1 708 . 1 1 61 61 THR CB C 13 69.115 . . 1 . . . . . . . . . 5563 1 709 . 1 1 61 61 THR HB H 1 4.080 . . 1 . . . . . . . . . 5563 1 710 . 1 1 61 61 THR CG2 C 13 21.639 . . 1 . . . . . . . . . 5563 1 711 . 1 1 61 61 THR HG21 H 1 1.263 . . 1 . . . . . . . . . 5563 1 712 . 1 1 61 61 THR HG22 H 1 1.263 . . 1 . . . . . . . . . 5563 1 713 . 1 1 61 61 THR HG23 H 1 1.263 . . 1 . . . . . . . . . 5563 1 714 . 1 1 61 61 THR C C 13 176.393 . . 1 . . . . . . . . . 5563 1 715 . 1 1 62 62 ASP N N 15 124.224 . . 1 . . . . . . . . . 5563 1 716 . 1 1 62 62 ASP H H 1 7.661 . . 1 . . . . . . . . . 5563 1 717 . 1 1 62 62 ASP CA C 13 57.847 . . 1 . . . . . . . . . 5563 1 718 . 1 1 62 62 ASP HA H 1 4.421 . . 1 . . . . . . . . . 5563 1 719 . 1 1 62 62 ASP CB C 13 39.967 . . 1 . . . . . . . . . 5563 1 720 . 1 1 62 62 ASP HB3 H 1 2.588 . . 2 . . . . . . . . . 5563 1 721 . 1 1 62 62 ASP HB2 H 1 2.670 . . 2 . . . . . . . . . 5563 1 722 . 1 1 62 62 ASP C C 13 178.829 . . 1 . . . . . . . . . 5563 1 723 . 1 1 63 63 VAL N N 15 121.934 . . 1 . . . . . . . . . 5563 1 724 . 1 1 63 63 VAL H H 1 8.228 . . 1 . . . . . . . . . 5563 1 725 . 1 1 63 63 VAL CA C 13 67.000 . . 1 . . . . . . . . . 5563 1 726 . 1 1 63 63 VAL HA H 1 3.518 . . 1 . . . . . . . . . 5563 1 727 . 1 1 63 63 VAL CB C 13 31.635 . . 1 . . . . . . . . . 5563 1 728 . 1 1 63 63 VAL HB H 1 1.643 . . 1 . . . . . . . . . 5563 1 729 . 1 1 63 63 VAL CG2 C 13 24.732 . . 1 . . . . . . . . . 5563 1 730 . 1 1 63 63 VAL HG21 H 1 0.831 . . 2 . . . . . . . . . 5563 1 731 . 1 1 63 63 VAL HG22 H 1 0.831 . . 2 . . . . . . . . . 5563 1 732 . 1 1 63 63 VAL HG23 H 1 0.831 . . 2 . . . . . . . . . 5563 1 733 . 1 1 63 63 VAL CG1 C 13 19.178 . . 1 . . . . . . . . . 5563 1 734 . 1 1 63 63 VAL HG11 H 1 -0.199 . . 2 . . . . . . . . . 5563 1 735 . 1 1 63 63 VAL HG12 H 1 -0.199 . . 2 . . . . . . . . . 5563 1 736 . 1 1 63 63 VAL HG13 H 1 -0.199 . . 2 . . . . . . . . . 5563 1 737 . 1 1 63 63 VAL C C 13 178.290 . . 1 . . . . . . . . . 5563 1 738 . 1 1 64 64 VAL N N 15 117.338 . . 1 . . . . . . . . . 5563 1 739 . 1 1 64 64 VAL H H 1 8.942 . . 1 . . . . . . . . . 5563 1 740 . 1 1 64 64 VAL CA C 13 68.067 . . 1 . . . . . . . . . 5563 1 741 . 1 1 64 64 VAL HA H 1 3.391 . . 1 . . . . . . . . . 5563 1 742 . 1 1 64 64 VAL CB C 13 30.959 . . 1 . . . . . . . . . 5563 1 743 . 1 1 64 64 VAL HB H 1 2.108 . . 1 . . . . . . . . . 5563 1 744 . 1 1 64 64 VAL CG2 C 13 24.012 . . 1 . . . . . . . . . 5563 1 745 . 1 1 64 64 VAL HG21 H 1 1.140 . . 2 . . . . . . . . . 5563 1 746 . 1 1 64 64 VAL HG22 H 1 1.140 . . 2 . . . . . . . . . 5563 1 747 . 1 1 64 64 VAL HG23 H 1 1.140 . . 2 . . . . . . . . . 5563 1 748 . 1 1 64 64 VAL CG1 C 13 23.097 . . 1 . . . . . . . . . 5563 1 749 . 1 1 64 64 VAL HG11 H 1 0.953 . . 2 . . . . . . . . . 5563 1 750 . 1 1 64 64 VAL HG12 H 1 0.953 . . 2 . . . . . . . . . 5563 1 751 . 1 1 64 64 VAL HG13 H 1 0.953 . . 2 . . . . . . . . . 5563 1 752 . 1 1 64 64 VAL C C 13 177.555 . . 1 . . . . . . . . . 5563 1 753 . 1 1 65 65 ASN N N 15 116.330 . . 1 . . . . . . . . . 5563 1 754 . 1 1 65 65 ASN H H 1 7.909 . . 1 . . . . . . . . . 5563 1 755 . 1 1 65 65 ASN CA C 13 59.176 . . 1 . . . . . . . . . 5563 1 756 . 1 1 65 65 ASN HA H 1 3.904 . . 1 . . . . . . . . . 5563 1 757 . 1 1 65 65 ASN CB C 13 39.679 . . 1 . . . . . . . . . 5563 1 758 . 1 1 65 65 ASN HB3 H 1 2.971 . . 2 . . . . . . . . . 5563 1 759 . 1 1 65 65 ASN HB2 H 1 2.663 . . 2 . . . . . . . . . 5563 1 760 . 1 1 65 65 ASN ND2 N 15 113.008 . . 1 . . . . . . . . . 5563 1 761 . 1 1 65 65 ASN HD21 H 1 7.429 . . 2 . . . . . . . . . 5563 1 762 . 1 1 65 65 ASN C C 13 176.756 . . 1 . . . . . . . . . 5563 1 763 . 1 1 66 66 GLN N N 15 119.834 . . 1 . . . . . . . . . 5563 1 764 . 1 1 66 66 GLN H H 1 7.785 . . 1 . . . . . . . . . 5563 1 765 . 1 1 66 66 GLN CA C 13 59.388 . . 1 . . . . . . . . . 5563 1 766 . 1 1 66 66 GLN HA H 1 4.152 . . 1 . . . . . . . . . 5563 1 767 . 1 1 66 66 GLN CB C 13 28.619 . . 1 . . . . . . . . . 5563 1 768 . 1 1 66 66 GLN HB3 H 1 2.243 . . 1 . . . . . . . . . 5563 1 769 . 1 1 66 66 GLN HB2 H 1 2.243 . . 1 . . . . . . . . . 5563 1 770 . 1 1 66 66 GLN CG C 13 33.989 . . 1 . . . . . . . . . 5563 1 771 . 1 1 66 66 GLN HG3 H 1 2.430 . . 2 . . . . . . . . . 5563 1 772 . 1 1 66 66 GLN HG2 H 1 2.574 . . 2 . . . . . . . . . 5563 1 773 . 1 1 66 66 GLN NE2 N 15 111.650 . . 1 . . . . . . . . . 5563 1 774 . 1 1 66 66 GLN HE21 H 1 7.437 . . 2 . . . . . . . . . 5563 1 775 . 1 1 66 66 GLN HE22 H 1 6.928 . . 2 . . . . . . . . . 5563 1 776 . 1 1 66 66 GLN C C 13 178.694 . . 1 . . . . . . . . . 5563 1 777 . 1 1 67 67 LEU N N 15 119.360 . . 1 . . . . . . . . . 5563 1 778 . 1 1 67 67 LEU H H 1 8.571 . . 1 . . . . . . . . . 5563 1 779 . 1 1 67 67 LEU CA C 13 57.690 . . 1 . . . . . . . . . 5563 1 780 . 1 1 67 67 LEU HA H 1 4.168 . . 1 . . . . . . . . . 5563 1 781 . 1 1 67 67 LEU CB C 13 41.651 . . 1 . . . . . . . . . 5563 1 782 . 1 1 67 67 LEU HB3 H 1 1.914 . . 1 . . . . . . . . . 5563 1 783 . 1 1 67 67 LEU HB2 H 1 1.914 . . 1 . . . . . . . . . 5563 1 784 . 1 1 67 67 LEU CG C 13 25.973 . . 1 . . . . . . . . . 5563 1 785 . 1 1 67 67 LEU HG H 1 2.009 . . 1 . . . . . . . . . 5563 1 786 . 1 1 67 67 LEU CD1 C 13 25.667 . . 1 . . . . . . . . . 5563 1 787 . 1 1 67 67 LEU HD11 H 1 0.562 . . 2 . . . . . . . . . 5563 1 788 . 1 1 67 67 LEU HD12 H 1 0.562 . . 2 . . . . . . . . . 5563 1 789 . 1 1 67 67 LEU HD13 H 1 0.562 . . 2 . . . . . . . . . 5563 1 790 . 1 1 67 67 LEU CD2 C 13 21.911 . . 1 . . . . . . . . . 5563 1 791 . 1 1 67 67 LEU HD21 H 1 1.075 . . 2 . . . . . . . . . 5563 1 792 . 1 1 67 67 LEU HD22 H 1 1.075 . . 2 . . . . . . . . . 5563 1 793 . 1 1 67 67 LEU HD23 H 1 1.075 . . 2 . . . . . . . . . 5563 1 794 . 1 1 67 67 LEU C C 13 180.425 . . 1 . . . . . . . . . 5563 1 795 . 1 1 68 68 VAL N N 15 120.766 . . 1 . . . . . . . . . 5563 1 796 . 1 1 68 68 VAL H H 1 8.664 . . 1 . . . . . . . . . 5563 1 797 . 1 1 68 68 VAL CA C 13 66.812 . . 1 . . . . . . . . . 5563 1 798 . 1 1 68 68 VAL HA H 1 3.289 . . 1 . . . . . . . . . 5563 1 799 . 1 1 68 68 VAL CB C 13 31.246 . . 1 . . . . . . . . . 5563 1 800 . 1 1 68 68 VAL HB H 1 1.935 . . 1 . . . . . . . . . 5563 1 801 . 1 1 68 68 VAL CG2 C 13 24.480 . . 1 . . . . . . . . . 5563 1 802 . 1 1 68 68 VAL HG21 H 1 0.610 . . 2 . . . . . . . . . 5563 1 803 . 1 1 68 68 VAL HG22 H 1 0.610 . . 2 . . . . . . . . . 5563 1 804 . 1 1 68 68 VAL HG23 H 1 0.610 . . 2 . . . . . . . . . 5563 1 805 . 1 1 68 68 VAL CG1 C 13 19.347 . . 1 . . . . . . . . . 5563 1 806 . 1 1 68 68 VAL HG11 H 1 0.053 . . 2 . . . . . . . . . 5563 1 807 . 1 1 68 68 VAL HG12 H 1 0.053 . . 2 . . . . . . . . . 5563 1 808 . 1 1 68 68 VAL HG13 H 1 0.053 . . 2 . . . . . . . . . 5563 1 809 . 1 1 68 68 VAL C C 13 177.110 . . 1 . . . . . . . . . 5563 1 810 . 1 1 69 69 ASP N N 15 121.510 . . 1 . . . . . . . . . 5563 1 811 . 1 1 69 69 ASP H H 1 8.179 . . 1 . . . . . . . . . 5563 1 812 . 1 1 69 69 ASP CA C 13 58.148 . . 1 . . . . . . . . . 5563 1 813 . 1 1 69 69 ASP HA H 1 4.374 . . 1 . . . . . . . . . 5563 1 814 . 1 1 69 69 ASP CB C 13 39.831 . . 1 . . . . . . . . . 5563 1 815 . 1 1 69 69 ASP HB3 H 1 2.961 . . 2 . . . . . . . . . 5563 1 816 . 1 1 69 69 ASP HB2 H 1 2.669 . . 2 . . . . . . . . . 5563 1 817 . 1 1 69 69 ASP C C 13 179.614 . . 1 . . . . . . . . . 5563 1 818 . 1 1 70 70 ASN N N 15 117.969 . . 1 . . . . . . . . . 5563 1 819 . 1 1 70 70 ASN H H 1 7.708 . . 1 . . . . . . . . . 5563 1 820 . 1 1 70 70 ASN CA C 13 56.275 . . 1 . . . . . . . . . 5563 1 821 . 1 1 70 70 ASN HA H 1 4.486 . . 1 . . . . . . . . . 5563 1 822 . 1 1 70 70 ASN CB C 13 38.195 . . 1 . . . . . . . . . 5563 1 823 . 1 1 70 70 ASN HB3 H 1 3.064 . . 2 . . . . . . . . . 5563 1 824 . 1 1 70 70 ASN HB2 H 1 3.085 . . 2 . . . . . . . . . 5563 1 825 . 1 1 70 70 ASN ND2 N 15 112.353 . . 1 . . . . . . . . . 5563 1 826 . 1 1 70 70 ASN HD21 H 1 7.806 . . 2 . . . . . . . . . 5563 1 827 . 1 1 70 70 ASN HD22 H 1 7.098 . . 2 . . . . . . . . . 5563 1 828 . 1 1 70 70 ASN C C 13 177.122 . . 1 . . . . . . . . . 5563 1 829 . 1 1 71 71 TRP N N 15 123.521 . . 1 . . . . . . . . . 5563 1 830 . 1 1 71 71 TRP H H 1 8.511 . . 1 . . . . . . . . . 5563 1 831 . 1 1 71 71 TRP CA C 13 62.584 . . 1 . . . . . . . . . 5563 1 832 . 1 1 71 71 TRP HA H 1 4.182 . . 1 . . . . . . . . . 5563 1 833 . 1 1 71 71 TRP CB C 13 29.859 . . 1 . . . . . . . . . 5563 1 834 . 1 1 71 71 TRP HB3 H 1 3.311 . . 1 . . . . . . . . . 5563 1 835 . 1 1 71 71 TRP HB2 H 1 3.311 . . 1 . . . . . . . . . 5563 1 836 . 1 1 71 71 TRP CD1 C 13 128.090 . . 1 . . . . . . . . . 5563 1 837 . 1 1 71 71 TRP HD1 H 1 7.397 . . 1 . . . . . . . . . 5563 1 838 . 1 1 71 71 TRP NE1 N 15 132.162 . . 1 . . . . . . . . . 5563 1 839 . 1 1 71 71 TRP HE1 H 1 10.500 . . 1 . . . . . . . . . 5563 1 840 . 1 1 71 71 TRP CZ2 C 13 114.700 . . 1 . . . . . . . . . 5563 1 841 . 1 1 71 71 TRP HZ2 H 1 7.304 . . 1 . . . . . . . . . 5563 1 842 . 1 1 71 71 TRP CH2 C 13 123.720 . . 1 . . . . . . . . . 5563 1 843 . 1 1 71 71 TRP HH2 H 1 6.801 . . 1 . . . . . . . . . 5563 1 844 . 1 1 71 71 TRP CZ3 C 13 120.970 . . 1 . . . . . . . . . 5563 1 845 . 1 1 71 71 TRP HZ3 H 1 7.122 . . 1 . . . . . . . . . 5563 1 846 . 1 1 71 71 TRP CE3 C 13 118.997 . . 1 . . . . . . . . . 5563 1 847 . 1 1 71 71 TRP HE3 H 1 7.262 . . 1 . . . . . . . . . 5563 1 848 . 1 1 71 71 TRP C C 13 180.493 . . 1 . . . . . . . . . 5563 1 849 . 1 1 72 72 LEU N N 15 120.827 . . 1 . . . . . . . . . 5563 1 850 . 1 1 72 72 LEU H H 1 9.431 . . 1 . . . . . . . . . 5563 1 851 . 1 1 72 72 LEU CA C 13 58.232 . . 1 . . . . . . . . . 5563 1 852 . 1 1 72 72 LEU HA H 1 3.865 . . 1 . . . . . . . . . 5563 1 853 . 1 1 72 72 LEU CB C 13 41.552 . . 1 . . . . . . . . . 5563 1 854 . 1 1 72 72 LEU HB3 H 1 2.082 . . 2 . . . . . . . . . 5563 1 855 . 1 1 72 72 LEU HB2 H 1 1.577 . . 2 . . . . . . . . . 5563 1 856 . 1 1 72 72 LEU CG C 13 27.105 . . 1 . . . . . . . . . 5563 1 857 . 1 1 72 72 LEU HG H 1 1.996 . . 1 . . . . . . . . . 5563 1 858 . 1 1 72 72 LEU CD1 C 13 23.654 . . 1 . . . . . . . . . 5563 1 859 . 1 1 72 72 LEU HD11 H 1 1.057 . . 2 . . . . . . . . . 5563 1 860 . 1 1 72 72 LEU HD12 H 1 1.057 . . 2 . . . . . . . . . 5563 1 861 . 1 1 72 72 LEU HD13 H 1 1.057 . . 2 . . . . . . . . . 5563 1 862 . 1 1 72 72 LEU CD2 C 13 26.062 . . 1 . . . . . . . . . 5563 1 863 . 1 1 72 72 LEU HD21 H 1 0.873 . . 2 . . . . . . . . . 5563 1 864 . 1 1 72 72 LEU HD22 H 1 0.873 . . 2 . . . . . . . . . 5563 1 865 . 1 1 72 72 LEU HD23 H 1 0.873 . . 2 . . . . . . . . . 5563 1 866 . 1 1 72 72 LEU C C 13 178.655 . . 1 . . . . . . . . . 5563 1 867 . 1 1 73 73 LYS N N 15 117.495 . . 1 . . . . . . . . . 5563 1 868 . 1 1 73 73 LYS H H 1 7.454 . . 1 . . . . . . . . . 5563 1 869 . 1 1 73 73 LYS CA C 13 59.355 . . 1 . . . . . . . . . 5563 1 870 . 1 1 73 73 LYS HA H 1 4.045 . . 1 . . . . . . . . . 5563 1 871 . 1 1 73 73 LYS CB C 13 32.220 . . 1 . . . . . . . . . 5563 1 872 . 1 1 73 73 LYS HB3 H 1 1.960 . . 1 . . . . . . . . . 5563 1 873 . 1 1 73 73 LYS HB2 H 1 1.960 . . 1 . . . . . . . . . 5563 1 874 . 1 1 73 73 LYS CG C 13 24.947 . . 1 . . . . . . . . . 5563 1 875 . 1 1 73 73 LYS HG3 H 1 1.508 . . 2 . . . . . . . . . 5563 1 876 . 1 1 73 73 LYS HG2 H 1 1.669 . . 2 . . . . . . . . . 5563 1 877 . 1 1 73 73 LYS CD C 13 29.460 . . 1 . . . . . . . . . 5563 1 878 . 1 1 73 73 LYS HD3 H 1 1.765 . . 1 . . . . . . . . . 5563 1 879 . 1 1 73 73 LYS HD2 H 1 1.765 . . 1 . . . . . . . . . 5563 1 880 . 1 1 73 73 LYS C C 13 178.562 . . 1 . . . . . . . . . 5563 1 881 . 1 1 74 74 GLU N N 15 114.271 . . 1 . . . . . . . . . 5563 1 882 . 1 1 74 74 GLU H H 1 7.100 . . 1 . . . . . . . . . 5563 1 883 . 1 1 74 74 GLU CA C 13 56.866 . . 1 . . . . . . . . . 5563 1 884 . 1 1 74 74 GLU HA H 1 4.260 . . 1 . . . . . . . . . 5563 1 885 . 1 1 74 74 GLU CB C 13 31.173 . . 1 . . . . . . . . . 5563 1 886 . 1 1 74 74 GLU HB3 H 1 1.867 . . 2 . . . . . . . . . 5563 1 887 . 1 1 74 74 GLU HB2 H 1 1.771 . . 2 . . . . . . . . . 5563 1 888 . 1 1 74 74 GLU CG C 13 36.147 . . 1 . . . . . . . . . 5563 1 889 . 1 1 74 74 GLU HG3 H 1 2.274 . . 1 . . . . . . . . . 5563 1 890 . 1 1 74 74 GLU HG2 H 1 2.274 . . 1 . . . . . . . . . 5563 1 891 . 1 1 74 74 GLU C C 13 177.240 . . 1 . . . . . . . . . 5563 1 892 . 1 1 75 75 ASN N N 15 115.509 . . 1 . . . . . . . . . 5563 1 893 . 1 1 75 75 ASN H H 1 7.487 . . 1 . . . . . . . . . 5563 1 894 . 1 1 75 75 ASN CA C 13 54.212 . . 1 . . . . . . . . . 5563 1 895 . 1 1 75 75 ASN HA H 1 4.543 . . 1 . . . . . . . . . 5563 1 896 . 1 1 75 75 ASN CB C 13 40.292 . . 1 . . . . . . . . . 5563 1 897 . 1 1 75 75 ASN HB3 H 1 1.711 . . 2 . . . . . . . . . 5563 1 898 . 1 1 75 75 ASN HB2 H 1 0.796 . . 2 . . . . . . . . . 5563 1 899 . 1 1 75 75 ASN ND2 N 15 116.455 . . 1 . . . . . . . . . 5563 1 900 . 1 1 75 75 ASN HD21 H 1 6.711 . . 2 . . . . . . . . . 5563 1 901 . 1 1 75 75 ASN HD22 H 1 6.048 . . 2 . . . . . . . . . 5563 1 902 . 1 1 75 75 ASN C C 13 173.547 . . 1 . . . . . . . . . 5563 1 903 . 1 1 76 76 GLU N N 15 126.070 . . 1 . . . . . . . . . 5563 1 904 . 1 1 76 76 GLU H H 1 7.947 . . 1 . . . . . . . . . 5563 1 905 . 1 1 76 76 GLU CA C 13 59.908 . . 1 . . . . . . . . . 5563 1 906 . 1 1 76 76 GLU HA H 1 3.889 . . 1 . . . . . . . . . 5563 1 907 . 1 1 76 76 GLU CB C 13 30.519 . . 1 . . . . . . . . . 5563 1 908 . 1 1 76 76 GLU HB3 H 1 2.012 . . 1 . . . . . . . . . 5563 1 909 . 1 1 76 76 GLU HB2 H 1 2.012 . . 1 . . . . . . . . . 5563 1 910 . 1 1 76 76 GLU CG C 13 37.115 . . 1 . . . . . . . . . 5563 1 911 . 1 1 76 76 GLU HG3 H 1 2.301 . . 1 . . . . . . . . . 5563 1 912 . 1 1 76 76 GLU HG2 H 1 2.301 . . 1 . . . . . . . . . 5563 1 913 . 1 1 76 76 GLU C C 13 181.073 . . 1 . . . . . . . . . 5563 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 58 5563 1 2 657 5563 1 2 658 5563 1 2 659 5563 1 stop_ save_