data_11024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11024 _Entry.Title ; NMR STRUCTURE OF THE S. AUREUS VRAR DNA BINDING DOMAIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-08 _Entry.Accession_date 2008-01-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Logan Donaldson . . . 11024 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'HTH LUXR-TYPE DOMAIN' . 11024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 11024 '15N chemical shifts' 60 11024 '1H chemical shifts' 330 11024 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 . . 2008-07-07 2008-01-08 update BMRB 'complete entry citation' 11024 1 . . 2008-03-05 2008-01-08 original author 'original release' 11024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RNJ 'BMRB Entry Tracking System' 11024 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11024 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18293926 _Citation.Full_citation . _Citation.Title ; THE NMR STRUCTURE OF STAPHYLOCOCCUS AUREUS RESPONSE REGULATOR VRAR DNA BINDING DOMAIN REVEALS A DYNAMIC RELATIONSHIP BETWEEN IT AND ITS ASSOCIATED RECEIVER DOMAIN ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 11 _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 3379 _Citation.Page_last 3388 _Citation.Year 2008 _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 Logan Donaldson . . . 11024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11024 _Assembly.ID 1 _Assembly.Name 'VRAR DNA binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'VRAR DNA binding domain' 1 $protein_sample A . yes native no no . . . 11024 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RNJ . . 'solution NMR' . . . 11024 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding domain' 11024 1 'response regulator' 11024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein_sample _Entity.Sf_category entity _Entity.Sf_framecode protein_sample _Entity.Entry_ID 11024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'VRAR DNA binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSHHHHHHSSGLVPRGSHM KKRAELYEMLTEREMEILLL IAKGYSNQEIASASHITIKT VKTHVSNILSKLEVQDRTQA VIYAFQHNLIQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'sequence code' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7724.955 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 15378 . VraR . . . . . 102.20 93 97.85 97.85 3.64e-55 . . . . 11024 1 2 no PDB 2RNJ . "Nmr Structure Of The S. Aureus Vrar Dna Binding Domain" . . . . . 100.00 91 100.00 100.00 3.65e-57 . . . . 11024 1 3 no EMBL CPL80688 . "Two component transcriptional regulator VraR%2C LuxR family [Staphylococcus haemolyticus]" . . . . . 81.32 76 97.30 98.65 1.88e-42 . . . . 11024 1 4 no EMBL CPZ28607 . "two component system response regulator [Mycobacterium abscessus]" . . . . . 79.12 72 98.61 100.00 9.12e-42 . . . . 11024 1 5 no EMBL CRF96173 . "response regulator [Streptococcus pneumoniae]" . . . . . 81.32 76 97.30 98.65 1.88e-42 . . . . 11024 1 6 no GB EUS58931 . "response regulator protein vraR, partial [Staphylococcus aureus M0064]" . . . . . 67.03 61 100.00 100.00 1.56e-33 . . . . 11024 1 7 no GB EVM22144 . "response regulator protein vraR [Staphylococcus aureus M0907]" . . . . . 81.32 78 97.30 98.65 1.90e-42 . . . . 11024 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 -18 GLY . 11024 1 2 -17 SER . 11024 1 3 -16 SER . 11024 1 4 -15 HIS . 11024 1 5 -14 HIS . 11024 1 6 -13 HIS . 11024 1 7 -12 HIS . 11024 1 8 -11 HIS . 11024 1 9 -10 HIS . 11024 1 10 -9 SER . 11024 1 11 -8 SER . 11024 1 12 -7 GLY . 11024 1 13 -6 LEU . 11024 1 14 -5 VAL . 11024 1 15 -4 PRO . 11024 1 16 -3 ARG . 11024 1 17 -2 GLY . 11024 1 18 -1 SER . 11024 1 19 0 HIS . 11024 1 20 1 MET . 11024 1 21 2 LYS . 11024 1 22 3 LYS . 11024 1 23 4 ARG . 11024 1 24 5 ALA . 11024 1 25 6 GLU . 11024 1 26 7 LEU . 11024 1 27 8 TYR . 11024 1 28 9 GLU . 11024 1 29 10 MET . 11024 1 30 11 LEU . 11024 1 31 12 THR . 11024 1 32 13 GLU . 11024 1 33 14 ARG . 11024 1 34 15 GLU . 11024 1 35 16 MET . 11024 1 36 17 GLU . 11024 1 37 18 ILE . 11024 1 38 19 LEU . 11024 1 39 20 LEU . 11024 1 40 21 LEU . 11024 1 41 22 ILE . 11024 1 42 23 ALA . 11024 1 43 24 LYS . 11024 1 44 25 GLY . 11024 1 45 26 TYR . 11024 1 46 27 SER . 11024 1 47 28 ASN . 11024 1 48 29 GLN . 11024 1 49 30 GLU . 11024 1 50 31 ILE . 11024 1 51 32 ALA . 11024 1 52 33 SER . 11024 1 53 34 ALA . 11024 1 54 35 SER . 11024 1 55 36 HIS . 11024 1 56 37 ILE . 11024 1 57 38 THR . 11024 1 58 39 ILE . 11024 1 59 40 LYS . 11024 1 60 41 THR . 11024 1 61 42 VAL . 11024 1 62 43 LYS . 11024 1 63 44 THR . 11024 1 64 45 HIS . 11024 1 65 46 VAL . 11024 1 66 47 SER . 11024 1 67 48 ASN . 11024 1 68 49 ILE . 11024 1 69 50 LEU . 11024 1 70 51 SER . 11024 1 71 52 LYS . 11024 1 72 53 LEU . 11024 1 73 54 GLU . 11024 1 74 55 VAL . 11024 1 75 56 GLN . 11024 1 76 57 ASP . 11024 1 77 58 ARG . 11024 1 78 59 THR . 11024 1 79 60 GLN . 11024 1 80 61 ALA . 11024 1 81 62 VAL . 11024 1 82 63 ILE . 11024 1 83 64 TYR . 11024 1 84 65 ALA . 11024 1 85 66 PHE . 11024 1 86 67 GLN . 11024 1 87 68 HIS . 11024 1 88 69 ASN . 11024 1 89 70 LEU . 11024 1 90 71 ILE . 11024 1 91 72 GLN . 11024 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 . GLY 1 1 11024 1 . SER 2 2 11024 1 . SER 3 3 11024 1 . HIS 4 4 11024 1 . HIS 5 5 11024 1 . HIS 6 6 11024 1 . HIS 7 7 11024 1 . HIS 8 8 11024 1 . HIS 9 9 11024 1 . SER 10 10 11024 1 . SER 11 11 11024 1 . GLY 12 12 11024 1 . LEU 13 13 11024 1 . VAL 14 14 11024 1 . PRO 15 15 11024 1 . ARG 16 16 11024 1 . GLY 17 17 11024 1 . SER 18 18 11024 1 . HIS 19 19 11024 1 . MET 20 20 11024 1 . LYS 21 21 11024 1 . LYS 22 22 11024 1 . ARG 23 23 11024 1 . ALA 24 24 11024 1 . GLU 25 25 11024 1 . LEU 26 26 11024 1 . TYR 27 27 11024 1 . GLU 28 28 11024 1 . MET 29 29 11024 1 . LEU 30 30 11024 1 . THR 31 31 11024 1 . GLU 32 32 11024 1 . ARG 33 33 11024 1 . GLU 34 34 11024 1 . MET 35 35 11024 1 . GLU 36 36 11024 1 . ILE 37 37 11024 1 . LEU 38 38 11024 1 . LEU 39 39 11024 1 . LEU 40 40 11024 1 . ILE 41 41 11024 1 . ALA 42 42 11024 1 . LYS 43 43 11024 1 . GLY 44 44 11024 1 . TYR 45 45 11024 1 . SER 46 46 11024 1 . ASN 47 47 11024 1 . GLN 48 48 11024 1 . GLU 49 49 11024 1 . ILE 50 50 11024 1 . ALA 51 51 11024 1 . SER 52 52 11024 1 . ALA 53 53 11024 1 . SER 54 54 11024 1 . HIS 55 55 11024 1 . ILE 56 56 11024 1 . THR 57 57 11024 1 . ILE 58 58 11024 1 . LYS 59 59 11024 1 . THR 60 60 11024 1 . VAL 61 61 11024 1 . LYS 62 62 11024 1 . THR 63 63 11024 1 . HIS 64 64 11024 1 . VAL 65 65 11024 1 . SER 66 66 11024 1 . ASN 67 67 11024 1 . ILE 68 68 11024 1 . LEU 69 69 11024 1 . SER 70 70 11024 1 . LYS 71 71 11024 1 . LEU 72 72 11024 1 . GLU 73 73 11024 1 . VAL 74 74 11024 1 . GLN 75 75 11024 1 . ASP 76 76 11024 1 . ARG 77 77 11024 1 . THR 78 78 11024 1 . GLN 79 79 11024 1 . ALA 80 80 11024 1 . VAL 81 81 11024 1 . ILE 82 82 11024 1 . TYR 83 83 11024 1 . ALA 84 84 11024 1 . PHE 85 85 11024 1 . GLN 86 86 11024 1 . HIS 87 87 11024 1 . ASN 88 88 11024 1 . LEU 89 89 11024 1 . ILE 90 90 11024 1 . GLN 91 91 11024 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 11024 _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 $protein_sample . 158878 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus Mu50 . . . . . . . . . . . . . . . VraR . 'gene SAV1884' . . 11024 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 11024 _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 $protein_sample . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli BL21 . . . . . . . . . . . . . . . pET15 . . . 'cloned as NdeI/BamHI fragment' . . 11024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11024 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VRAR DNA binding domain' '[U-98% 13C; U-98% 15N]' . . 1 $protein_sample . protein 0.3 . . mM . . . . 11024 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 11024 1 3 'sodium chloride' 'natural abundance' . . . . . . 750 . . mM . . . . 11024 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 11024 1 5 H2O . . . . . . solvent 90 . . % . . . . 11024 1 6 D2O . . . . . . solvent 10 . . % . . . . 11024 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11024 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 11024 1 pH 7.8 . pH 11024 1 pressure 1 . atm 11024 1 temperature 308 . K 11024 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11024 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11024 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 11024 1 'structure solution' 11024 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11024 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11024 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11024 2 stop_ save_ save_PISTACHIO _Software.Sf_category software _Software.Sf_framecode PISTACHIO _Software.Entry_ID 11024 _Software.ID 3 _Software.Name PISTACHIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eghbalnia, Bahrami, Wang, Assadi and Markley' . . 11024 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11024 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11024 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11024 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11024 4 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11024 _Software.ID 5 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11024 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 11024 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with salt tolerant cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model NMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11024 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian NMRS . 600 'equipped with salt tolerant cold probe' . . 11024 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 11024 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 12 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 13 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11024 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11024 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11024 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.0 . . . . . . . . . 11024 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11024 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11024 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11024 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11024 1 4 '3D C(CO)NH' 1 $sample_1 isotropic 11024 1 5 '3D HNCO' 1 $sample_1 isotropic 11024 1 6 '3D HNCACB' 1 $sample_1 isotropic 11024 1 7 '3D H(CCO)NH' 1 $sample_1 isotropic 11024 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 25 25 GLU C C 13 177.124 0.3 . 1 . . . . 6 GLU C . 11024 1 2 . 1 1 26 26 LEU H H 1 8.504 0.03 . 1 . . . . 7 LEU HN . 11024 1 3 . 1 1 26 26 LEU HA H 1 3.943 0.03 . 1 . . . . 7 LEU HA . 11024 1 4 . 1 1 26 26 LEU HB2 H 1 1.683 0.03 . 2 . . . . 7 LEU HB2 . 11024 1 5 . 1 1 26 26 LEU HB3 H 1 1.680 0.03 . 2 . . . . 7 LEU HB1 . 11024 1 6 . 1 1 26 26 LEU HD11 H 1 0.946 0.03 . 2 . . . . 7 LEU HD11 . 11024 1 7 . 1 1 26 26 LEU HD12 H 1 0.946 0.03 . 2 . . . . 7 LEU HD11 . 11024 1 8 . 1 1 26 26 LEU HD13 H 1 0.946 0.03 . 2 . . . . 7 LEU HD11 . 11024 1 9 . 1 1 26 26 LEU HD21 H 1 0.880 0.03 . 2 . . . . 7 LEU HD21 . 11024 1 10 . 1 1 26 26 LEU HD22 H 1 0.880 0.03 . 2 . . . . 7 LEU HD21 . 11024 1 11 . 1 1 26 26 LEU HD23 H 1 0.880 0.03 . 2 . . . . 7 LEU HD21 . 11024 1 12 . 1 1 26 26 LEU C C 13 179.416 0.3 . 1 . . . . 7 LEU C . 11024 1 13 . 1 1 26 26 LEU CA C 13 57.839 0.3 . 1 . . . . 7 LEU CA . 11024 1 14 . 1 1 26 26 LEU CB C 13 40.261 0.3 . 1 . . . . 7 LEU CB . 11024 1 15 . 1 1 26 26 LEU CD1 C 13 25.869 0.3 . 1 . . . . 7 LEU CD1 . 11024 1 16 . 1 1 26 26 LEU N N 15 121.117 0.1 . 1 . . . . 7 LEU N . 11024 1 17 . 1 1 27 27 TYR H H 1 7.270 0.03 . 1 . . . . 8 TYR HN . 11024 1 18 . 1 1 27 27 TYR HA H 1 4.170 0.03 . 1 . . . . 8 TYR HA . 11024 1 19 . 1 1 27 27 TYR HB2 H 1 3.210 0.03 . 2 . . . . 8 TYR HB2 . 11024 1 20 . 1 1 27 27 TYR HB3 H 1 2.980 0.03 . 2 . . . . 8 TYR HB1 . 11024 1 21 . 1 1 27 27 TYR HD1 H 1 7.150 0.03 . 3 . . . . 8 TYR HD1 . 11024 1 22 . 1 1 27 27 TYR HE1 H 1 6.748 0.03 . 3 . . . . 8 TYR HE1 . 11024 1 23 . 1 1 27 27 TYR C C 13 176.996 0.3 . 1 . . . . 8 TYR C . 11024 1 24 . 1 1 27 27 TYR CA C 13 59.011 0.3 . 1 . . . . 8 TYR CA . 11024 1 25 . 1 1 27 27 TYR CB C 13 36.745 0.3 . 1 . . . . 8 TYR CB . 11024 1 26 . 1 1 27 27 TYR CD1 C 13 117.635 0.3 . 4 . . . . 8 TYR CE1 . 11024 1 27 . 1 1 27 27 TYR CE1 C 13 118.336 0.3 . 4 . . . . 8 TYR CE1 . 11024 1 28 . 1 1 27 27 TYR N N 15 111.114 0.1 . 1 . . . . 8 TYR N . 11024 1 29 . 1 1 28 28 GLU H H 1 7.348 0.03 . 1 . . . . 9 GLU HN . 11024 1 30 . 1 1 28 28 GLU HA H 1 4.090 0.03 . 1 . . . . 9 GLU HA . 11024 1 31 . 1 1 28 28 GLU HB2 H 1 1.794 0.03 . 2 . . . . 9 GLU HB2 . 11024 1 32 . 1 1 28 28 GLU HB3 H 1 2.014 0.03 . 2 . . . . 9 GLU HB1 . 11024 1 33 . 1 1 28 28 GLU C C 13 176.977 0.3 . 1 . . . . 9 GLU C . 11024 1 34 . 1 1 28 28 GLU CA C 13 57.839 0.3 . 1 . . . . 9 GLU CA . 11024 1 35 . 1 1 28 28 GLU CB C 13 29.714 0.3 . 1 . . . . 9 GLU CB . 11024 1 36 . 1 1 28 28 GLU N N 15 121.740 0.1 . 1 . . . . 9 GLU N . 11024 1 37 . 1 1 29 29 MET H H 1 7.641 0.03 . 1 . . . . 10 MET HN . 11024 1 38 . 1 1 29 29 MET HA H 1 4.483 0.03 . 1 . . . . 10 MET HA . 11024 1 39 . 1 1 29 29 MET HB2 H 1 2.130 0.03 . 2 . . . . 10 MET HB2 . 11024 1 40 . 1 1 29 29 MET HB3 H 1 2.661 0.03 . 2 . . . . 10 MET HB1 . 11024 1 41 . 1 1 29 29 MET HG2 H 1 1.940 0.03 . 2 . . . . 10 MET HG2 . 11024 1 42 . 1 1 29 29 MET C C 13 177.702 0.3 . 1 . . . . 10 MET C . 11024 1 43 . 1 1 29 29 MET CA C 13 55.495 0.3 . 1 . . . . 10 MET CA . 11024 1 44 . 1 1 29 29 MET CB C 13 33.230 0.3 . 1 . . . . 10 MET CB . 11024 1 45 . 1 1 29 29 MET N N 15 114.678 0.1 . 1 . . . . 10 MET N . 11024 1 46 . 1 1 30 30 LEU H H 1 7.453 0.03 . 1 . . . . 11 LEU HN . 11024 1 47 . 1 1 30 30 LEU HA H 1 4.560 0.03 . 1 . . . . 11 LEU HA . 11024 1 48 . 1 1 30 30 LEU HB2 H 1 2.030 0.03 . 2 . . . . 11 LEU HB2 . 11024 1 49 . 1 1 30 30 LEU HB3 H 1 1.734 0.03 . 2 . . . . 11 LEU HB1 . 11024 1 50 . 1 1 30 30 LEU HD11 H 1 0.923 0.03 . 2 . . . . 11 LEU HD11 . 11024 1 51 . 1 1 30 30 LEU HD12 H 1 0.923 0.03 . 2 . . . . 11 LEU HD11 . 11024 1 52 . 1 1 30 30 LEU HD13 H 1 0.923 0.03 . 2 . . . . 11 LEU HD11 . 11024 1 53 . 1 1 30 30 LEU HD21 H 1 0.830 0.03 . 2 . . . . 11 LEU HD21 . 11024 1 54 . 1 1 30 30 LEU HD22 H 1 0.830 0.03 . 2 . . . . 11 LEU HD21 . 11024 1 55 . 1 1 30 30 LEU HD23 H 1 0.830 0.03 . 2 . . . . 11 LEU HD21 . 11024 1 56 . 1 1 30 30 LEU C C 13 178.091 0.3 . 1 . . . . 11 LEU C . 11024 1 57 . 1 1 30 30 LEU CA C 13 55.495 0.3 . 1 . . . . 11 LEU CA . 11024 1 58 . 1 1 30 30 LEU CB C 13 41.433 0.3 . 1 . . . . 11 LEU CB . 11024 1 59 . 1 1 30 30 LEU CD1 C 13 27.370 0.3 . 2 . . . . 11 LEU CD1 . 11024 1 60 . 1 1 30 30 LEU CD2 C 13 23.855 0.3 . 2 . . . . 11 LEU CD2 . 11024 1 61 . 1 1 30 30 LEU N N 15 120.203 0.1 . 1 . . . . 11 LEU N . 11024 1 62 . 1 1 31 31 THR H H 1 9.340 0.03 . 1 . . . . 12 THR HN . 11024 1 63 . 1 1 31 31 THR HA H 1 4.420 0.03 . 1 . . . . 12 THR HA . 11024 1 64 . 1 1 31 31 THR HG21 H 1 1.327 0.03 . 1 . . . . 12 THR HG21 . 11024 1 65 . 1 1 31 31 THR HG22 H 1 1.327 0.03 . 1 . . . . 12 THR HG21 . 11024 1 66 . 1 1 31 31 THR HG23 H 1 1.327 0.03 . 1 . . . . 12 THR HG21 . 11024 1 67 . 1 1 31 31 THR CA C 13 61.354 0.3 . 1 . . . . 12 THR CA . 11024 1 68 . 1 1 31 31 THR CB C 13 70.729 0.3 . 1 . . . . 12 THR CB . 11024 1 69 . 1 1 31 31 THR CG2 C 13 21.841 0.3 . 1 . . . . 12 THR CG2 . 11024 1 70 . 1 1 31 31 THR N N 15 115.087 0.1 . 1 . . . . 12 THR N . 11024 1 71 . 1 1 33 33 ARG HA H 1 4.120 0.03 . 1 . . . . 14 ARG HA . 11024 1 72 . 1 1 33 33 ARG HB2 H 1 1.253 0.03 . 2 . . . . 14 ARG HB2 . 11024 1 73 . 1 1 33 33 ARG HB3 H 1 1.575 0.03 . 2 . . . . 14 ARG HB1 . 11024 1 74 . 1 1 33 33 ARG HD2 H 1 3.190 0.03 . 2 . . . . 14 ARG HD2 . 11024 1 75 . 1 1 33 33 ARG HD3 H 1 3.080 0.03 . 2 . . . . 14 ARG HD1 . 11024 1 76 . 1 1 33 33 ARG HG3 H 1 1.912 0.03 . 2 . . . . 14 ARG HG1 . 11024 1 77 . 1 1 33 33 ARG C C 13 178.328 0.3 . 1 . . . . 14 ARG C . 11024 1 78 . 1 1 33 33 ARG CA C 13 57.839 0.3 . 1 . . . . 14 ARG CA . 11024 1 79 . 1 1 33 33 ARG CB C 13 29.714 0.3 . 1 . . . . 14 ARG CB . 11024 1 80 . 1 1 33 33 ARG CD C 13 42.605 0.3 . 1 . . . . 14 ARG CD . 11024 1 81 . 1 1 33 33 ARG CG C 13 26.198 0.3 . 1 . . . . 14 ARG CG . 11024 1 82 . 1 1 34 34 GLU H H 1 7.618 0.03 . 1 . . . . 15 GLU HN . 11024 1 83 . 1 1 34 34 GLU HA H 1 3.558 0.03 . 1 . . . . 15 GLU HA . 11024 1 84 . 1 1 34 34 GLU HB2 H 1 1.890 0.03 . 2 . . . . 15 GLU HB2 . 11024 1 85 . 1 1 34 34 GLU HB3 H 1 1.810 0.03 . 2 . . . . 15 GLU HB1 . 11024 1 86 . 1 1 34 34 GLU HG3 H 1 2.360 0.03 . 2 . . . . 15 GLU HG1 . 11024 1 87 . 1 1 34 34 GLU C C 13 178.285 0.3 . 1 . . . . 15 GLU C . 11024 1 88 . 1 1 34 34 GLU CA C 13 59.011 0.3 . 1 . . . . 15 GLU CA . 11024 1 89 . 1 1 34 34 GLU CB C 13 30.886 0.3 . 1 . . . . 15 GLU CB . 11024 1 90 . 1 1 34 34 GLU CG C 13 37.917 0.3 . 1 . . . . 15 GLU CG . 11024 1 91 . 1 1 34 34 GLU N N 15 118.398 0.1 . 1 . . . . 15 GLU N . 11024 1 92 . 1 1 35 35 MET H H 1 8.659 0.03 . 1 . . . . 16 MET HN . 11024 1 93 . 1 1 35 35 MET HA H 1 4.270 0.03 . 1 . . . . 16 MET HA . 11024 1 94 . 1 1 35 35 MET HB2 H 1 2.700 0.03 . 2 . . . . 16 MET HB2 . 11024 1 95 . 1 1 35 35 MET HB3 H 1 2.490 0.03 . 2 . . . . 16 MET HB1 . 11024 1 96 . 1 1 35 35 MET HG2 H 1 1.370 0.03 . 2 . . . . 16 MET HG2 . 11024 1 97 . 1 1 35 35 MET C C 13 177.220 0.3 . 1 . . . . 16 MET C . 11024 1 98 . 1 1 35 35 MET CA C 13 57.839 0.3 . 1 . . . . 16 MET CA . 11024 1 99 . 1 1 35 35 MET CB C 13 30.886 0.3 . 1 . . . . 16 MET CB . 11024 1 100 . 1 1 35 35 MET CG C 13 32.058 0.3 . 1 . . . . 16 MET CG . 11024 1 101 . 1 1 35 35 MET N N 15 118.487 0.1 . 1 . . . . 16 MET N . 11024 1 102 . 1 1 36 36 GLU H H 1 7.784 0.03 . 1 . . . . 17 GLU HN . 11024 1 103 . 1 1 36 36 GLU HA H 1 3.860 0.03 . 1 . . . . 17 GLU HA . 11024 1 104 . 1 1 36 36 GLU HB2 H 1 2.100 0.03 . 2 . . . . 17 GLU HB2 . 11024 1 105 . 1 1 36 36 GLU HB3 H 1 2.170 0.03 . 2 . . . . 17 GLU HB1 . 11024 1 106 . 1 1 36 36 GLU C C 13 179.570 0.3 . 1 . . . . 17 GLU C . 11024 1 107 . 1 1 36 36 GLU CA C 13 59.011 0.3 . 1 . . . . 17 GLU CA . 11024 1 108 . 1 1 36 36 GLU CB C 13 29.714 0.3 . 1 . . . . 17 GLU CB . 11024 1 109 . 1 1 36 36 GLU CG C 13 36.745 0.3 . 1 . . . . 17 GLU CG . 11024 1 110 . 1 1 36 36 GLU N N 15 118.501 0.1 . 1 . . . . 17 GLU N . 11024 1 111 . 1 1 37 37 ILE H H 1 7.857 0.03 . 1 . . . . 18 ILE HN . 11024 1 112 . 1 1 37 37 ILE HA H 1 3.556 0.03 . 1 . . . . 18 ILE HA . 11024 1 113 . 1 1 37 37 ILE HB H 1 1.892 0.03 . 1 . . . . 18 ILE HB . 11024 1 114 . 1 1 37 37 ILE HD11 H 1 0.545 0.03 . 1 . . . . 18 ILE HD11 . 11024 1 115 . 1 1 37 37 ILE HD12 H 1 0.545 0.03 . 1 . . . . 18 ILE HD11 . 11024 1 116 . 1 1 37 37 ILE HD13 H 1 0.545 0.03 . 1 . . . . 18 ILE HD11 . 11024 1 117 . 1 1 37 37 ILE HG12 H 1 1.048 0.03 . 1 . . . . 18 ILE HG12 . 11024 1 118 . 1 1 37 37 ILE HG13 H 1 1.556 0.03 . 1 . . . . 18 ILE HG11 . 11024 1 119 . 1 1 37 37 ILE HG21 H 1 0.818 0.03 . 1 . . . . 18 ILE HG21 . 11024 1 120 . 1 1 37 37 ILE HG22 H 1 0.818 0.03 . 1 . . . . 18 ILE HG21 . 11024 1 121 . 1 1 37 37 ILE HG23 H 1 0.818 0.03 . 1 . . . . 18 ILE HG21 . 11024 1 122 . 1 1 37 37 ILE C C 13 177.320 0.3 . 1 . . . . 18 ILE C . 11024 1 123 . 1 1 37 37 ILE CA C 13 64.870 0.3 . 1 . . . . 18 ILE CA . 11024 1 124 . 1 1 37 37 ILE CB C 13 36.745 0.3 . 1 . . . . 18 ILE CB . 11024 1 125 . 1 1 37 37 ILE CD1 C 13 12.865 0.3 . 1 . . . . 18 ILE CD1 . 11024 1 126 . 1 1 37 37 ILE CG1 C 13 29.570 0.3 . 1 . . . . 18 ILE CG1 . 11024 1 127 . 1 1 37 37 ILE CG2 C 13 17.114 0.3 . 1 . . . . 18 ILE CG2 . 11024 1 128 . 1 1 37 37 ILE N N 15 118.486 0.1 . 1 . . . . 18 ILE N . 11024 1 129 . 1 1 38 38 LEU H H 1 8.762 0.03 . 1 . . . . 19 LEU HN . 11024 1 130 . 1 1 38 38 LEU HA H 1 3.970 0.03 . 1 . . . . 19 LEU HA . 11024 1 131 . 1 1 38 38 LEU HB2 H 1 2.290 0.03 . 2 . . . . 19 LEU HB2 . 11024 1 132 . 1 1 38 38 LEU HB3 H 1 1.380 0.03 . 2 . . . . 19 LEU HB1 . 11024 1 133 . 1 1 38 38 LEU HD11 H 1 0.850 0.03 . 2 . . . . 19 LEU HD11 . 11024 1 134 . 1 1 38 38 LEU HD12 H 1 0.850 0.03 . 2 . . . . 19 LEU HD11 . 11024 1 135 . 1 1 38 38 LEU HD13 H 1 0.850 0.03 . 2 . . . . 19 LEU HD11 . 11024 1 136 . 1 1 38 38 LEU HD21 H 1 0.870 0.03 . 2 . . . . 19 LEU HD21 . 11024 1 137 . 1 1 38 38 LEU HD22 H 1 0.870 0.03 . 2 . . . . 19 LEU HD21 . 11024 1 138 . 1 1 38 38 LEU HD23 H 1 0.870 0.03 . 2 . . . . 19 LEU HD21 . 11024 1 139 . 1 1 38 38 LEU C C 13 177.760 0.3 . 1 . . . . 19 LEU C . 11024 1 140 . 1 1 38 38 LEU CA C 13 57.839 0.3 . 1 . . . . 19 LEU CA . 11024 1 141 . 1 1 38 38 LEU CB C 13 41.433 0.3 . 1 . . . . 19 LEU CB . 11024 1 142 . 1 1 38 38 LEU CD1 C 13 22.420 0.3 . 1 . . . . 19 LEU CD1 . 11024 1 143 . 1 1 38 38 LEU CD2 C 13 26.652 0.3 . 1 . . . . 19 LEU CD2 . 11024 1 144 . 1 1 38 38 LEU N N 15 122.751 0.1 . 1 . . . . 19 LEU N . 11024 1 145 . 1 1 39 39 LEU H H 1 8.042 0.03 . 1 . . . . 20 LEU HN . 11024 1 146 . 1 1 39 39 LEU HA H 1 3.813 0.03 . 1 . . . . 20 LEU HA . 11024 1 147 . 1 1 39 39 LEU HB2 H 1 1.838 0.03 . 2 . . . . 20 LEU HB2 . 11024 1 148 . 1 1 39 39 LEU HB3 H 1 1.362 0.03 . 2 . . . . 20 LEU HB1 . 11024 1 149 . 1 1 39 39 LEU HD11 H 1 0.688 0.03 . 2 . . . . 20 LEU HD11 . 11024 1 150 . 1 1 39 39 LEU HD12 H 1 0.688 0.03 . 2 . . . . 20 LEU HD11 . 11024 1 151 . 1 1 39 39 LEU HD13 H 1 0.688 0.03 . 2 . . . . 20 LEU HD11 . 11024 1 152 . 1 1 39 39 LEU HD21 H 1 0.847 0.03 . 2 . . . . 20 LEU HD21 . 11024 1 153 . 1 1 39 39 LEU HD22 H 1 0.847 0.03 . 2 . . . . 20 LEU HD21 . 11024 1 154 . 1 1 39 39 LEU HD23 H 1 0.847 0.03 . 2 . . . . 20 LEU HD21 . 11024 1 155 . 1 1 39 39 LEU C C 13 179.171 0.3 . 1 . . . . 20 LEU C . 11024 1 156 . 1 1 39 39 LEU CA C 13 57.839 0.3 . 1 . . . . 20 LEU CA . 11024 1 157 . 1 1 39 39 LEU CB C 13 40.261 0.3 . 1 . . . . 20 LEU CB . 11024 1 158 . 1 1 39 39 LEU CD1 C 13 22.859 0.3 . 1 . . . . 20 LEU CD1 . 11024 1 159 . 1 1 39 39 LEU CD2 C 13 24.762 0.3 . 1 . . . . 20 LEU CD2 . 11024 1 160 . 1 1 39 39 LEU N N 15 117.332 0.1 . 1 . . . . 20 LEU N . 11024 1 161 . 1 1 40 40 LEU H H 1 7.426 0.03 . 1 . . . . 21 LEU HN . 11024 1 162 . 1 1 40 40 LEU HA H 1 3.879 0.03 . 1 . . . . 21 LEU HA . 11024 1 163 . 1 1 40 40 LEU HB2 H 1 1.938 0.03 . 2 . . . . 21 LEU HB2 . 11024 1 164 . 1 1 40 40 LEU HB3 H 1 0.960 0.03 . 2 . . . . 21 LEU HB1 . 11024 1 165 . 1 1 40 40 LEU HD11 H 1 0.729 0.03 . 2 . . . . 21 LEU HD11 . 11024 1 166 . 1 1 40 40 LEU HD12 H 1 0.729 0.03 . 2 . . . . 21 LEU HD11 . 11024 1 167 . 1 1 40 40 LEU HD13 H 1 0.729 0.03 . 2 . . . . 21 LEU HD11 . 11024 1 168 . 1 1 40 40 LEU HD21 H 1 0.348 0.03 . 2 . . . . 21 LEU HD21 . 11024 1 169 . 1 1 40 40 LEU HD22 H 1 0.348 0.03 . 2 . . . . 21 LEU HD21 . 11024 1 170 . 1 1 40 40 LEU HD23 H 1 0.348 0.03 . 2 . . . . 21 LEU HD21 . 11024 1 171 . 1 1 40 40 LEU C C 13 180.255 0.3 . 1 . . . . 21 LEU C . 11024 1 172 . 1 1 40 40 LEU CA C 13 57.839 0.3 . 1 . . . . 21 LEU CA . 11024 1 173 . 1 1 40 40 LEU CB C 13 41.433 0.3 . 1 . . . . 21 LEU CB . 11024 1 174 . 1 1 40 40 LEU CD1 C 13 26.399 0.3 . 1 . . . . 21 LEU CD1 . 11024 1 175 . 1 1 40 40 LEU CD2 C 13 21.279 0.3 . 1 . . . . 21 LEU CD2 . 11024 1 176 . 1 1 40 40 LEU N N 15 117.613 0.1 . 1 . . . . 21 LEU N . 11024 1 177 . 1 1 41 41 ILE H H 1 8.801 0.03 . 1 . . . . 22 ILE HN . 11024 1 178 . 1 1 41 41 ILE HA H 1 3.762 0.03 . 1 . . . . 22 ILE HA . 11024 1 179 . 1 1 41 41 ILE HB H 1 2.184 0.03 . 1 . . . . 22 ILE HB . 11024 1 180 . 1 1 41 41 ILE HD11 H 1 0.791 0.03 . 1 . . . . 22 ILE HD11 . 11024 1 181 . 1 1 41 41 ILE HD12 H 1 0.791 0.03 . 1 . . . . 22 ILE HD11 . 11024 1 182 . 1 1 41 41 ILE HD13 H 1 0.791 0.03 . 1 . . . . 22 ILE HD11 . 11024 1 183 . 1 1 41 41 ILE HG21 H 1 0.851 0.03 . 1 . . . . 22 ILE HG21 . 11024 1 184 . 1 1 41 41 ILE HG22 H 1 0.851 0.03 . 1 . . . . 22 ILE HG21 . 11024 1 185 . 1 1 41 41 ILE HG23 H 1 0.851 0.03 . 1 . . . . 22 ILE HG21 . 11024 1 186 . 1 1 41 41 ILE C C 13 180.956 0.3 . 1 . . . . 22 ILE C . 11024 1 187 . 1 1 41 41 ILE CA C 13 66.042 0.3 . 1 . . . . 22 ILE CA . 11024 1 188 . 1 1 41 41 ILE CB C 13 37.917 0.3 . 1 . . . . 22 ILE CB . 11024 1 189 . 1 1 41 41 ILE CD1 C 13 14.395 0.3 . 1 . . . . 22 ILE CD1 . 11024 1 190 . 1 1 41 41 ILE CG1 C 13 28.510 0.3 . 1 . . . . 22 ILE CG1 . 11024 1 191 . 1 1 41 41 ILE CG2 C 13 17.280 0.3 . 1 . . . . 22 ILE CG2 . 11024 1 192 . 1 1 41 41 ILE N N 15 122.299 0.1 . 1 . . . . 22 ILE N . 11024 1 193 . 1 1 42 42 ALA H H 1 8.543 0.03 . 1 . . . . 23 ALA HN . 11024 1 194 . 1 1 42 42 ALA HA H 1 4.265 0.03 . 1 . . . . 23 ALA HA . 11024 1 195 . 1 1 42 42 ALA HB1 H 1 1.370 0.03 . 1 . . . . 23 ALA HB1 . 11024 1 196 . 1 1 42 42 ALA HB2 H 1 1.370 0.03 . 1 . . . . 23 ALA HB1 . 11024 1 197 . 1 1 42 42 ALA HB3 H 1 1.370 0.03 . 1 . . . . 23 ALA HB1 . 11024 1 198 . 1 1 42 42 ALA C C 13 177.248 0.3 . 1 . . . . 23 ALA C . 11024 1 199 . 1 1 42 42 ALA CA C 13 54.323 0.3 . 1 . . . . 23 ALA CA . 11024 1 200 . 1 1 42 42 ALA CB C 13 17.995 0.3 . 1 . . . . 23 ALA CB . 11024 1 201 . 1 1 42 42 ALA N N 15 122.394 0.1 . 1 . . . . 23 ALA N . 11024 1 202 . 1 1 43 43 LYS H H 1 7.462 0.03 . 1 . . . . 24 LYS HN . 11024 1 203 . 1 1 43 43 LYS HA H 1 4.378 0.03 . 1 . . . . 24 LYS HA . 11024 1 204 . 1 1 43 43 LYS HB2 H 1 1.798 0.03 . 2 . . . . 24 LYS HB2 . 11024 1 205 . 1 1 43 43 LYS HB3 H 1 1.798 0.03 . 2 . . . . 24 LYS HB1 . 11024 1 206 . 1 1 43 43 LYS HD3 H 1 2.120 0.03 . 2 . . . . 24 LYS HD1 . 11024 1 207 . 1 1 43 43 LYS HE3 H 1 2.958 0.03 . 2 . . . . 24 LYS HE1 . 11024 1 208 . 1 1 43 43 LYS HG3 H 1 1.612 0.03 . 2 . . . . 24 LYS HG1 . 11024 1 209 . 1 1 43 43 LYS C C 13 177.093 0.3 . 1 . . . . 24 LYS C . 11024 1 210 . 1 1 43 43 LYS CA C 13 56.667 0.3 . 1 . . . . 24 LYS CA . 11024 1 211 . 1 1 43 43 LYS CB C 13 33.230 0.3 . 1 . . . . 24 LYS CB . 11024 1 212 . 1 1 43 43 LYS CD C 13 29.714 0.3 . 1 . . . . 24 LYS CD . 11024 1 213 . 1 1 43 43 LYS CE C 13 42.605 0.3 . 1 . . . . 24 LYS CE . 11024 1 214 . 1 1 43 43 LYS CG C 13 26.198 0.3 . 1 . . . . 24 LYS CG . 11024 1 215 . 1 1 43 43 LYS N N 15 115.975 0.1 . 1 . . . . 24 LYS N . 11024 1 216 . 1 1 44 44 GLY H H 1 8.196 0.03 . 1 . . . . 25 GLY HN . 11024 1 217 . 1 1 44 44 GLY HA2 H 1 3.740 0.03 . 2 . . . . 25 GLY HA2 . 11024 1 218 . 1 1 44 44 GLY HA3 H 1 4.330 0.03 . 2 . . . . 25 GLY HA1 . 11024 1 219 . 1 1 44 44 GLY C C 13 174.928 0.3 . 1 . . . . 25 GLY C . 11024 1 220 . 1 1 44 44 GLY CA C 13 44.948 0.3 . 1 . . . . 25 GLY CA . 11024 1 221 . 1 1 44 44 GLY N N 15 107.419 0.1 . 1 . . . . 25 GLY N . 11024 1 222 . 1 1 45 45 TYR H H 1 7.890 0.03 . 1 . . . . 26 TYR HN . 11024 1 223 . 1 1 45 45 TYR HA H 1 3.770 0.03 . 1 . . . . 26 TYR HA . 11024 1 224 . 1 1 45 45 TYR HB2 H 1 3.009 0.03 . 2 . . . . 26 TYR HB2 . 11024 1 225 . 1 1 45 45 TYR HB3 H 1 2.730 0.03 . 2 . . . . 26 TYR HB1 . 11024 1 226 . 1 1 45 45 TYR HD1 H 1 7.277 0.03 . 4 . . . . 26 TYR HD1 . 11024 1 227 . 1 1 45 45 TYR HE1 H 1 6.914 0.03 . 4 . . . . 26 TYR HE1 . 11024 1 228 . 1 1 45 45 TYR C C 13 176.968 0.3 . 1 . . . . 26 TYR C . 11024 1 229 . 1 1 45 45 TYR CA C 13 57.839 0.3 . 1 . . . . 26 TYR CA . 11024 1 230 . 1 1 45 45 TYR CB C 13 37.917 0.3 . 1 . . . . 26 TYR CB . 11024 1 231 . 1 1 45 45 TYR CD1 C 13 132.54 0.3 . 4 . . . . 26 TYR CE1 . 11024 1 232 . 1 1 45 45 TYR CE1 C 13 119.197 0.3 . 4 . . . . 26 TYR CE1 . 11024 1 233 . 1 1 45 45 TYR N N 15 120.752 0.1 . 1 . . . . 26 TYR N . 11024 1 234 . 1 1 46 46 SER H H 1 9.467 0.03 . 1 . . . . 27 SER HN . 11024 1 235 . 1 1 46 46 SER HA H 1 4.510 0.03 . 1 . . . . 27 SER HA . 11024 1 236 . 1 1 46 46 SER HB2 H 1 4.110 0.03 . 2 . . . . 27 SER HB2 . 11024 1 237 . 1 1 46 46 SER HB3 H 1 4.110 0.03 . 2 . . . . 27 SER HB1 . 11024 1 238 . 1 1 46 46 SER CA C 13 56.667 0.3 . 1 . . . . 27 SER CA . 11024 1 239 . 1 1 46 46 SER CB C 13 66.042 0.3 . 1 . . . . 27 SER CB . 11024 1 240 . 1 1 46 46 SER N N 15 120.054 0.1 . 1 . . . . 27 SER N . 11024 1 241 . 1 1 47 47 ASN CA C 13 59.011 0.3 . 1 . . . . 28 ASN CA . 11024 1 242 . 1 1 48 48 GLN HA H 1 4.010 0.03 . 1 . . . . 29 GLN HA . 11024 1 243 . 1 1 48 48 GLN HB2 H 1 2.510 0.03 . 2 . . . . 29 GLN HB2 . 11024 1 244 . 1 1 48 48 GLN HB3 H 1 2.510 0.03 . 2 . . . . 29 GLN HB1 . 11024 1 245 . 1 1 48 48 GLN C C 13 178.325 0.3 . 1 . . . . 29 GLN C . 11024 1 246 . 1 1 48 48 GLN CA C 13 59.011 0.3 . 1 . . . . 29 GLN CA . 11024 1 247 . 1 1 48 48 GLN CB C 13 28.542 0.3 . 1 . . . . 29 GLN CB . 11024 1 248 . 1 1 48 48 GLN CG C 13 34.401 0.3 . 1 . . . . 29 GLN CG . 11024 1 249 . 1 1 49 49 GLU H H 1 7.780 0.03 . 1 . . . . 30 GLU HN . 11024 1 250 . 1 1 49 49 GLU HA H 1 4.050 0.03 . 1 . . . . 30 GLU HA . 11024 1 251 . 1 1 49 49 GLU HB2 H 1 2.260 0.03 . 2 . . . . 30 GLU HB2 . 11024 1 252 . 1 1 49 49 GLU HB3 H 1 2.260 0.03 . 2 . . . . 30 GLU HB1 . 11024 1 253 . 1 1 49 49 GLU HG2 H 1 2.380 0.03 . 2 . . . . 30 GLU HG2 . 11024 1 254 . 1 1 49 49 GLU HG3 H 1 2.100 0.03 . 2 . . . . 30 GLU HG1 . 11024 1 255 . 1 1 49 49 GLU C C 13 180.109 0.3 . 1 . . . . 30 GLU C . 11024 1 256 . 1 1 49 49 GLU CA C 13 59.011 0.3 . 1 . . . . 30 GLU CA . 11024 1 257 . 1 1 49 49 GLU CB C 13 29.714 0.3 . 1 . . . . 30 GLU CB . 11024 1 258 . 1 1 49 49 GLU CG C 13 36.290 0.3 . 1 . . . . 30 GLU CG . 11024 1 259 . 1 1 49 49 GLU N N 15 120.927 0.1 . 1 . . . . 30 GLU N . 11024 1 260 . 1 1 50 50 ILE H H 1 8.667 0.03 . 1 . . . . 31 ILE HN . 11024 1 261 . 1 1 50 50 ILE HA H 1 3.540 0.03 . 1 . . . . 31 ILE HA . 11024 1 262 . 1 1 50 50 ILE HB H 1 2.013 0.03 . 1 . . . . 31 ILE HB . 11024 1 263 . 1 1 50 50 ILE HD11 H 1 0.719 0.03 . 1 . . . . 31 ILE HD11 . 11024 1 264 . 1 1 50 50 ILE HD12 H 1 0.719 0.03 . 1 . . . . 31 ILE HD11 . 11024 1 265 . 1 1 50 50 ILE HD13 H 1 0.719 0.03 . 1 . . . . 31 ILE HD11 . 11024 1 266 . 1 1 50 50 ILE HG21 H 1 0.860 0.03 . 1 . . . . 31 ILE HG21 . 11024 1 267 . 1 1 50 50 ILE HG22 H 1 0.860 0.03 . 1 . . . . 31 ILE HG21 . 11024 1 268 . 1 1 50 50 ILE HG23 H 1 0.860 0.03 . 1 . . . . 31 ILE HG21 . 11024 1 269 . 1 1 50 50 ILE C C 13 177.836 0.3 . 1 . . . . 31 ILE C . 11024 1 270 . 1 1 50 50 ILE CA C 13 66.042 0.3 . 1 . . . . 31 ILE CA . 11024 1 271 . 1 1 50 50 ILE CB C 13 37.917 0.3 . 1 . . . . 31 ILE CB . 11024 1 272 . 1 1 50 50 ILE CD1 C 13 13.934 0.3 . 1 . . . . 31 ILE CD1 . 11024 1 273 . 1 1 50 50 ILE CG1 C 13 29.860 0.3 . 1 . . . . 31 ILE CG1 . 11024 1 274 . 1 1 50 50 ILE CG2 C 13 18.521 0.3 . 1 . . . . 31 ILE CG2 . 11024 1 275 . 1 1 50 50 ILE N N 15 121.392 0.1 . 1 . . . . 31 ILE N . 11024 1 276 . 1 1 51 51 ALA H H 1 8.412 0.03 . 1 . . . . 32 ALA HN . 11024 1 277 . 1 1 51 51 ALA HA H 1 3.788 0.03 . 1 . . . . 32 ALA HA . 11024 1 278 . 1 1 51 51 ALA HB1 H 1 1.536 0.03 . 1 . . . . 32 ALA HB1 . 11024 1 279 . 1 1 51 51 ALA HB2 H 1 1.536 0.03 . 1 . . . . 32 ALA HB1 . 11024 1 280 . 1 1 51 51 ALA HB3 H 1 1.536 0.03 . 1 . . . . 32 ALA HB1 . 11024 1 281 . 1 1 51 51 ALA C C 13 179.667 0.3 . 1 . . . . 32 ALA C . 11024 1 282 . 1 1 51 51 ALA CA C 13 55.495 0.3 . 1 . . . . 32 ALA CA . 11024 1 283 . 1 1 51 51 ALA CB C 13 17.995 0.3 . 1 . . . . 32 ALA CB . 11024 1 284 . 1 1 51 51 ALA N N 15 124.465 0.1 . 1 . . . . 32 ALA N . 11024 1 285 . 1 1 52 52 SER H H 1 8.004 0.03 . 1 . . . . 33 SER HN . 11024 1 286 . 1 1 52 52 SER HA H 1 4.215 0.03 . 1 . . . . 33 SER HA . 11024 1 287 . 1 1 52 52 SER HB2 H 1 3.947 0.03 . 2 . . . . 33 SER HB2 . 11024 1 288 . 1 1 52 52 SER HB3 H 1 3.947 0.03 . 2 . . . . 33 SER HB1 . 11024 1 289 . 1 1 52 52 SER C C 13 176.791 0.3 . 1 . . . . 33 SER C . 11024 1 290 . 1 1 52 52 SER CA C 13 61.354 0.3 . 1 . . . . 33 SER CA . 11024 1 291 . 1 1 52 52 SER CB C 13 63.698 0.3 . 1 . . . . 33 SER CB . 11024 1 292 . 1 1 52 52 SER N N 15 111.330 0.1 . 1 . . . . 33 SER N . 11024 1 293 . 1 1 53 53 ALA H H 1 7.950 0.03 . 1 . . . . 34 ALA HN . 11024 1 294 . 1 1 53 53 ALA HA H 1 3.810 0.03 . 1 . . . . 34 ALA HA . 11024 1 295 . 1 1 53 53 ALA HB1 H 1 1.510 0.03 . 1 . . . . 34 ALA HB1 . 11024 1 296 . 1 1 53 53 ALA HB2 H 1 1.510 0.03 . 1 . . . . 34 ALA HB1 . 11024 1 297 . 1 1 53 53 ALA HB3 H 1 1.510 0.03 . 1 . . . . 34 ALA HB1 . 11024 1 298 . 1 1 53 53 ALA C C 13 179.056 0.3 . 1 . . . . 34 ALA C . 11024 1 299 . 1 1 53 53 ALA CA C 13 54.323 0.3 . 1 . . . . 34 ALA CA . 11024 1 300 . 1 1 53 53 ALA CB C 13 19.167 0.3 . 1 . . . . 34 ALA CB . 11024 1 301 . 1 1 53 53 ALA N N 15 121.989 0.1 . 1 . . . . 34 ALA N . 11024 1 302 . 1 1 54 54 SER H H 1 7.933 0.03 . 1 . . . . 35 SER HN . 11024 1 303 . 1 1 54 54 SER HA H 1 4.470 0.03 . 1 . . . . 35 SER HA . 11024 1 304 . 1 1 54 54 SER HB2 H 1 3.710 0.03 . 2 . . . . 35 SER HB2 . 11024 1 305 . 1 1 54 54 SER HB3 H 1 3.710 0.03 . 2 . . . . 35 SER HB1 . 11024 1 306 . 1 1 54 54 SER CA C 13 60.183 0.3 . 1 . . . . 35 SER CA . 11024 1 307 . 1 1 54 54 SER N N 15 109.736 0.1 . 1 . . . . 35 SER N . 11024 1 308 . 1 1 55 55 HIS HA H 1 4.290 0.03 . 1 . . . . 36 HIS HA . 11024 1 309 . 1 1 55 55 HIS HB2 H 1 3.330 0.03 . 2 . . . . 36 HIS HB2 . 11024 1 310 . 1 1 55 55 HIS HB3 H 1 3.330 0.03 . 2 . . . . 36 HIS HB1 . 11024 1 311 . 1 1 55 55 HIS HE1 H 1 7.626 0.03 . 1 . . . . 36 HIS HE1 . 11024 1 312 . 1 1 55 55 HIS C C 13 174.770 0.3 . 1 . . . . 36 HIS C . 11024 1 313 . 1 1 55 55 HIS CA C 13 57.839 0.3 . 1 . . . . 36 HIS CA . 11024 1 314 . 1 1 55 55 HIS CB C 13 27.370 0.3 . 1 . . . . 36 HIS CB . 11024 1 315 . 1 1 56 56 ILE H H 1 7.929 0.03 . 1 . . . . 37 ILE HN . 11024 1 316 . 1 1 56 56 ILE HA H 1 4.950 0.03 . 1 . . . . 37 ILE HA . 11024 1 317 . 1 1 56 56 ILE HB H 1 2.052 0.03 . 1 . . . . 37 ILE HB . 11024 1 318 . 1 1 56 56 ILE HD11 H 1 0.792 0.03 . 1 . . . . 37 ILE HD11 . 11024 1 319 . 1 1 56 56 ILE HD12 H 1 0.792 0.03 . 1 . . . . 37 ILE HD11 . 11024 1 320 . 1 1 56 56 ILE HD13 H 1 0.792 0.03 . 1 . . . . 37 ILE HD11 . 11024 1 321 . 1 1 56 56 ILE HG12 H 1 1.350 0.03 . 1 . . . . 37 ILE HG12 . 11024 1 322 . 1 1 56 56 ILE HG13 H 1 1.350 0.03 . 1 . . . . 37 ILE HG11 . 11024 1 323 . 1 1 56 56 ILE HG21 H 1 1.040 0.03 . 1 . . . . 37 ILE HG21 . 11024 1 324 . 1 1 56 56 ILE HG22 H 1 1.040 0.03 . 1 . . . . 37 ILE HG21 . 11024 1 325 . 1 1 56 56 ILE HG23 H 1 1.040 0.03 . 1 . . . . 37 ILE HG21 . 11024 1 326 . 1 1 56 56 ILE C C 13 175.081 0.3 . 1 . . . . 37 ILE C . 11024 1 327 . 1 1 56 56 ILE CA C 13 59.011 0.3 . 1 . . . . 37 ILE CA . 11024 1 328 . 1 1 56 56 ILE CB C 13 41.433 0.3 . 1 . . . . 37 ILE CB . 11024 1 329 . 1 1 56 56 ILE CD1 C 13 13.894 0.3 . 1 . . . . 37 ILE CD1 . 11024 1 330 . 1 1 56 56 ILE CG1 C 13 25.026 0.3 . 1 . . . . 37 ILE CG1 . 11024 1 331 . 1 1 56 56 ILE CG2 C 13 18.341 0.3 . 1 . . . . 37 ILE CG2 . 11024 1 332 . 1 1 56 56 ILE N N 15 112.778 0.1 . 1 . . . . 37 ILE N . 11024 1 333 . 1 1 57 57 THR H H 1 8.168 0.03 . 1 . . . . 38 THR HN . 11024 1 334 . 1 1 57 57 THR HA H 1 4.510 0.03 . 1 . . . . 38 THR HA . 11024 1 335 . 1 1 57 57 THR HB H 1 4.350 0.03 . 1 . . . . 38 THR HB . 11024 1 336 . 1 1 57 57 THR HG21 H 1 1.424 0.03 . 1 . . . . 38 THR HG21 . 11024 1 337 . 1 1 57 57 THR HG22 H 1 1.424 0.03 . 1 . . . . 38 THR HG21 . 11024 1 338 . 1 1 57 57 THR HG23 H 1 1.424 0.03 . 1 . . . . 38 THR HG21 . 11024 1 339 . 1 1 57 57 THR CA C 13 60.183 0.3 . 1 . . . . 38 THR CA . 11024 1 340 . 1 1 57 57 THR CB C 13 70.729 0.3 . 1 . . . . 38 THR CB . 11024 1 341 . 1 1 57 57 THR CG2 C 13 22.027 0.3 . 1 . . . . 38 THR CG2 . 11024 1 342 . 1 1 57 57 THR N N 15 109.572 0.1 . 1 . . . . 38 THR N . 11024 1 343 . 1 1 58 58 ILE HA H 1 4.100 0.03 . 1 . . . . 39 ILE HA . 11024 1 344 . 1 1 58 58 ILE HD11 H 1 0.926 0.03 . 1 . . . . 39 ILE HD11 . 11024 1 345 . 1 1 58 58 ILE HD12 H 1 0.926 0.03 . 1 . . . . 39 ILE HD11 . 11024 1 346 . 1 1 58 58 ILE HD13 H 1 0.926 0.03 . 1 . . . . 39 ILE HD11 . 11024 1 347 . 1 1 58 58 ILE HG21 H 1 1.009 0.03 . 1 . . . . 39 ILE HG21 . 11024 1 348 . 1 1 58 58 ILE HG22 H 1 1.009 0.03 . 1 . . . . 39 ILE HG21 . 11024 1 349 . 1 1 58 58 ILE HG23 H 1 1.009 0.03 . 1 . . . . 39 ILE HG21 . 11024 1 350 . 1 1 58 58 ILE C C 13 177.404 0.3 . 1 . . . . 39 ILE C . 11024 1 351 . 1 1 58 58 ILE CA C 13 63.698 0.3 . 1 . . . . 39 ILE CA . 11024 1 352 . 1 1 58 58 ILE CD1 C 13 13.413 0.3 . 1 . . . . 39 ILE CD1 . 11024 1 353 . 1 1 58 58 ILE CG2 C 13 17.904 0.3 . 1 . . . . 39 ILE CG2 . 11024 1 354 . 1 1 59 59 LYS H H 1 8.016 0.03 . 1 . . . . 40 LYS HN . 11024 1 355 . 1 1 59 59 LYS HA H 1 3.990 0.03 . 1 . . . . 40 LYS HA . 11024 1 356 . 1 1 59 59 LYS HB2 H 1 1.760 0.03 . 2 . . . . 40 LYS HB2 . 11024 1 357 . 1 1 59 59 LYS HB3 H 1 1.910 0.03 . 2 . . . . 40 LYS HB1 . 11024 1 358 . 1 1 59 59 LYS HD2 H 1 0.980 0.03 . 2 . . . . 40 LYS HD2 . 11024 1 359 . 1 1 59 59 LYS HD3 H 1 1.360 0.03 . 2 . . . . 40 LYS HD1 . 11024 1 360 . 1 1 59 59 LYS HE2 H 1 3.020 0.03 . 2 . . . . 40 LYS HE2 . 11024 1 361 . 1 1 59 59 LYS HE3 H 1 3.020 0.03 . 2 . . . . 40 LYS HE1 . 11024 1 362 . 1 1 59 59 LYS HG2 H 1 1.440 0.03 . 2 . . . . 40 LYS HG2 . 11024 1 363 . 1 1 59 59 LYS HG3 H 1 1.550 0.03 . 2 . . . . 40 LYS HG1 . 11024 1 364 . 1 1 59 59 LYS C C 13 178.908 0.3 . 1 . . . . 40 LYS C . 11024 1 365 . 1 1 59 59 LYS CA C 13 60.183 0.3 . 1 . . . . 40 LYS CA . 11024 1 366 . 1 1 59 59 LYS CB C 13 32.058 0.3 . 1 . . . . 40 LYS CB . 11024 1 367 . 1 1 59 59 LYS N N 15 121.107 0.1 . 1 . . . . 40 LYS N . 11024 1 368 . 1 1 60 60 THR H H 1 7.745 0.03 . 1 . . . . 41 THR HN . 11024 1 369 . 1 1 60 60 THR HA H 1 4.400 0.03 . 1 . . . . 41 THR HA . 11024 1 370 . 1 1 60 60 THR HB H 1 3.913 0.03 . 1 . . . . 41 THR HB . 11024 1 371 . 1 1 60 60 THR HG21 H 1 1.235 0.03 . 1 . . . . 41 THR HG21 . 11024 1 372 . 1 1 60 60 THR HG22 H 1 1.235 0.03 . 1 . . . . 41 THR HG21 . 11024 1 373 . 1 1 60 60 THR HG23 H 1 1.235 0.03 . 1 . . . . 41 THR HG21 . 11024 1 374 . 1 1 60 60 THR C C 13 176.353 0.3 . 1 . . . . 41 THR C . 11024 1 375 . 1 1 60 60 THR CA C 13 66.042 0.3 . 1 . . . . 41 THR CA . 11024 1 376 . 1 1 60 60 THR CB C 13 68.386 0.3 . 1 . . . . 41 THR CB . 11024 1 377 . 1 1 60 60 THR CG2 C 13 23.234 0.3 . 1 . . . . 41 THR CG2 . 11024 1 378 . 1 1 60 60 THR N N 15 118.126 0.1 . 1 . . . . 41 THR N . 11024 1 379 . 1 1 61 61 VAL H H 1 8.321 0.03 . 1 . . . . 42 VAL HN . 11024 1 380 . 1 1 61 61 VAL HA H 1 3.420 0.03 . 1 . . . . 42 VAL HA . 11024 1 381 . 1 1 61 61 VAL HB H 1 2.410 0.03 . 1 . . . . 42 VAL HB . 11024 1 382 . 1 1 61 61 VAL HG11 H 1 1.044 0.03 . 2 . . . . 42 VAL HG11 . 11024 1 383 . 1 1 61 61 VAL HG12 H 1 1.044 0.03 . 2 . . . . 42 VAL HG11 . 11024 1 384 . 1 1 61 61 VAL HG13 H 1 1.044 0.03 . 2 . . . . 42 VAL HG11 . 11024 1 385 . 1 1 61 61 VAL HG21 H 1 0.953 0.03 . 2 . . . . 42 VAL HG21 . 11024 1 386 . 1 1 61 61 VAL HG22 H 1 0.953 0.03 . 2 . . . . 42 VAL HG21 . 11024 1 387 . 1 1 61 61 VAL HG23 H 1 0.953 0.03 . 2 . . . . 42 VAL HG21 . 11024 1 388 . 1 1 61 61 VAL C C 13 177.203 0.3 . 1 . . . . 42 VAL C . 11024 1 389 . 1 1 61 61 VAL CA C 13 68.386 0.3 . 1 . . . . 42 VAL CA . 11024 1 390 . 1 1 61 61 VAL CB C 13 32.058 0.3 . 1 . . . . 42 VAL CB . 11024 1 391 . 1 1 61 61 VAL CG1 C 13 23.748 0.3 . 1 . . . . 42 VAL CG1 . 11024 1 392 . 1 1 61 61 VAL CG2 C 13 21.579 0.3 . 1 . . . . 42 VAL CG2 . 11024 1 393 . 1 1 61 61 VAL N N 15 122.346 0.1 . 1 . . . . 42 VAL N . 11024 1 394 . 1 1 62 62 LYS H H 1 8.524 0.03 . 1 . . . . 43 LYS HN . 11024 1 395 . 1 1 62 62 LYS HA H 1 3.824 0.03 . 1 . . . . 43 LYS HA . 11024 1 396 . 1 1 62 62 LYS HB2 H 1 1.960 0.03 . 2 . . . . 43 LYS HB2 . 11024 1 397 . 1 1 62 62 LYS HB3 H 1 1.960 0.03 . 2 . . . . 43 LYS HB1 . 11024 1 398 . 1 1 62 62 LYS HD3 H 1 0.990 0.03 . 2 . . . . 43 LYS HD1 . 11024 1 399 . 1 1 62 62 LYS HE2 H 1 3.000 0.03 . 2 . . . . 43 LYS HE2 . 11024 1 400 . 1 1 62 62 LYS HE3 H 1 3.000 0.03 . 2 . . . . 43 LYS HE1 . 11024 1 401 . 1 1 62 62 LYS HG2 H 1 1.720 0.03 . 2 . . . . 43 LYS HG2 . 11024 1 402 . 1 1 62 62 LYS HG3 H 1 1.430 0.03 . 2 . . . . 43 LYS HG1 . 11024 1 403 . 1 1 62 62 LYS C C 13 179.648 0.3 . 1 . . . . 43 LYS C . 11024 1 404 . 1 1 62 62 LYS CA C 13 61.354 0.3 . 1 . . . . 43 LYS CA . 11024 1 405 . 1 1 62 62 LYS CB C 13 32.058 0.3 . 1 . . . . 43 LYS CB . 11024 1 406 . 1 1 62 62 LYS CD C 13 26.198 0.3 . 1 . . . . 43 LYS CD . 11024 1 407 . 1 1 62 62 LYS N N 15 117.807 0.1 . 1 . . . . 43 LYS N . 11024 1 408 . 1 1 63 63 THR H H 1 7.916 0.03 . 1 . . . . 44 THR HN . 11024 1 409 . 1 1 63 63 THR HA H 1 4.216 0.03 . 1 . . . . 44 THR HA . 11024 1 410 . 1 1 63 63 THR HB H 1 3.954 0.03 . 1 . . . . 44 THR HB . 11024 1 411 . 1 1 63 63 THR HG21 H 1 1.137 0.03 . 1 . . . . 44 THR HG21 . 11024 1 412 . 1 1 63 63 THR HG22 H 1 1.137 0.03 . 1 . . . . 44 THR HG21 . 11024 1 413 . 1 1 63 63 THR HG23 H 1 1.137 0.03 . 1 . . . . 44 THR HG21 . 11024 1 414 . 1 1 63 63 THR C C 13 176.174 0.3 . 1 . . . . 44 THR C . 11024 1 415 . 1 1 63 63 THR CA C 13 66.042 0.3 . 1 . . . . 44 THR CA . 11024 1 416 . 1 1 63 63 THR CB C 13 68.386 0.3 . 1 . . . . 44 THR CB . 11024 1 417 . 1 1 63 63 THR CG2 C 13 21.690 0.3 . 1 . . . . 44 THR CG2 . 11024 1 418 . 1 1 63 63 THR N N 15 118.107 0.1 . 1 . . . . 44 THR N . 11024 1 419 . 1 1 64 64 HIS H H 1 8.143 0.03 . 1 . . . . 45 HIS HN . 11024 1 420 . 1 1 64 64 HIS HA H 1 4.790 0.03 . 1 . . . . 45 HIS HA . 11024 1 421 . 1 1 64 64 HIS HB2 H 1 2.790 0.03 . 2 . . . . 45 HIS HB2 . 11024 1 422 . 1 1 64 64 HIS HB3 H 1 3.360 0.03 . 2 . . . . 45 HIS HB1 . 11024 1 423 . 1 1 64 64 HIS C C 13 178.526 0.3 . 1 . . . . 45 HIS C . 11024 1 424 . 1 1 64 64 HIS CA C 13 60.183 0.3 . 1 . . . . 45 HIS CA . 11024 1 425 . 1 1 64 64 HIS CB C 13 30.886 0.3 . 1 . . . . 45 HIS CB . 11024 1 426 . 1 1 64 64 HIS N N 15 120.588 0.1 . 1 . . . . 45 HIS N . 11024 1 427 . 1 1 65 65 VAL H H 1 9.109 0.03 . 1 . . . . 46 VAL HN . 11024 1 428 . 1 1 65 65 VAL HA H 1 3.462 0.03 . 1 . . . . 46 VAL HA . 11024 1 429 . 1 1 65 65 VAL HB H 1 2.180 0.03 . 1 . . . . 46 VAL HB . 11024 1 430 . 1 1 65 65 VAL HG11 H 1 1.049 0.03 . 2 . . . . 46 VAL HG11 . 11024 1 431 . 1 1 65 65 VAL HG12 H 1 1.049 0.03 . 2 . . . . 46 VAL HG11 . 11024 1 432 . 1 1 65 65 VAL HG13 H 1 1.049 0.03 . 2 . . . . 46 VAL HG11 . 11024 1 433 . 1 1 65 65 VAL HG21 H 1 0.919 0.03 . 2 . . . . 46 VAL HG21 . 11024 1 434 . 1 1 65 65 VAL HG22 H 1 0.919 0.03 . 2 . . . . 46 VAL HG21 . 11024 1 435 . 1 1 65 65 VAL HG23 H 1 0.919 0.03 . 2 . . . . 46 VAL HG21 . 11024 1 436 . 1 1 65 65 VAL C C 13 177.341 0.3 . 1 . . . . 46 VAL C . 11024 1 437 . 1 1 65 65 VAL CA C 13 68.386 0.3 . 1 . . . . 46 VAL CA . 11024 1 438 . 1 1 65 65 VAL CB C 13 32.058 0.3 . 1 . . . . 46 VAL CB . 11024 1 439 . 1 1 65 65 VAL CG1 C 13 23.124 0.3 . 1 . . . . 46 VAL CG1 . 11024 1 440 . 1 1 65 65 VAL CG2 C 13 21.120 0.3 . 1 . . . . 46 VAL CG2 . 11024 1 441 . 1 1 65 65 VAL N N 15 118.759 0.1 . 1 . . . . 46 VAL N . 11024 1 442 . 1 1 66 66 SER H H 1 8.112 0.03 . 1 . . . . 47 SER HN . 11024 1 443 . 1 1 66 66 SER HA H 1 4.128 0.03 . 1 . . . . 47 SER HA . 11024 1 444 . 1 1 66 66 SER HB2 H 1 4.050 0.03 . 2 . . . . 47 SER HB2 . 11024 1 445 . 1 1 66 66 SER HB3 H 1 4.050 0.03 . 2 . . . . 47 SER HB1 . 11024 1 446 . 1 1 66 66 SER C C 13 177.404 0.3 . 1 . . . . 47 SER C . 11024 1 447 . 1 1 66 66 SER CA C 13 62.526 0.3 . 1 . . . . 47 SER CA . 11024 1 448 . 1 1 66 66 SER CB C 13 68.386 0.3 . 1 . . . . 47 SER CB . 11024 1 449 . 1 1 66 66 SER N N 15 113.910 0.1 . 1 . . . . 47 SER N . 11024 1 450 . 1 1 67 67 ASN H H 1 8.067 0.03 . 1 . . . . 48 ASN HN . 11024 1 451 . 1 1 67 67 ASN HA H 1 4.593 0.03 . 1 . . . . 48 ASN HA . 11024 1 452 . 1 1 67 67 ASN HB2 H 1 3.235 0.03 . 2 . . . . 48 ASN HB2 . 11024 1 453 . 1 1 67 67 ASN HB3 H 1 2.736 0.03 . 2 . . . . 48 ASN HB1 . 11024 1 454 . 1 1 67 67 ASN C C 13 177.575 0.3 . 1 . . . . 48 ASN C . 11024 1 455 . 1 1 67 67 ASN CA C 13 55.495 0.3 . 1 . . . . 48 ASN CA . 11024 1 456 . 1 1 67 67 ASN CB C 13 37.917 0.3 . 1 . . . . 48 ASN CB . 11024 1 457 . 1 1 67 67 ASN N N 15 121.218 0.1 . 1 . . . . 48 ASN N . 11024 1 458 . 1 1 68 68 ILE H H 1 8.762 0.03 . 1 . . . . 49 ILE HN . 11024 1 459 . 1 1 68 68 ILE HA H 1 3.350 0.03 . 1 . . . . 49 ILE HA . 11024 1 460 . 1 1 68 68 ILE HB H 1 2.060 0.03 . 1 . . . . 49 ILE HB . 11024 1 461 . 1 1 68 68 ILE HD11 H 1 0.898 0.03 . 1 . . . . 49 ILE HD11 . 11024 1 462 . 1 1 68 68 ILE HD12 H 1 0.898 0.03 . 1 . . . . 49 ILE HD11 . 11024 1 463 . 1 1 68 68 ILE HD13 H 1 0.898 0.03 . 1 . . . . 49 ILE HD11 . 11024 1 464 . 1 1 68 68 ILE HG12 H 1 0.716 0.03 . 1 . . . . 49 ILE HG12 . 11024 1 465 . 1 1 68 68 ILE HG13 H 1 0.716 0.03 . 1 . . . . 49 ILE HG11 . 11024 1 466 . 1 1 68 68 ILE HG21 H 1 0.774 0.03 . 1 . . . . 49 ILE HG21 . 11024 1 467 . 1 1 68 68 ILE HG22 H 1 0.774 0.03 . 1 . . . . 49 ILE HG21 . 11024 1 468 . 1 1 68 68 ILE HG23 H 1 0.774 0.03 . 1 . . . . 49 ILE HG21 . 11024 1 469 . 1 1 68 68 ILE C C 13 177.024 0.3 . 1 . . . . 49 ILE C . 11024 1 470 . 1 1 68 68 ILE CA C 13 66.042 0.3 . 1 . . . . 49 ILE CA . 11024 1 471 . 1 1 68 68 ILE CB C 13 37.917 0.3 . 1 . . . . 49 ILE CB . 11024 1 472 . 1 1 68 68 ILE CD1 C 13 15.283 0.3 . 1 . . . . 49 ILE CD1 . 11024 1 473 . 1 1 68 68 ILE CG1 C 13 29.706 0.3 . 1 . . . . 49 ILE CG1 . 11024 1 474 . 1 1 68 68 ILE CG2 C 13 18.029 0.3 . 1 . . . . 49 ILE CG2 . 11024 1 475 . 1 1 68 68 ILE N N 15 122.751 0.1 . 1 . . . . 49 ILE N . 11024 1 476 . 1 1 69 69 LEU H H 1 8.379 0.03 . 1 . . . . 50 LEU HN . 11024 1 477 . 1 1 69 69 LEU HA H 1 3.698 0.03 . 1 . . . . 50 LEU HA . 11024 1 478 . 1 1 69 69 LEU HB2 H 1 1.540 0.03 . 2 . . . . 50 LEU HB2 . 11024 1 479 . 1 1 69 69 LEU HB3 H 1 1.792 0.03 . 2 . . . . 50 LEU HB1 . 11024 1 480 . 1 1 69 69 LEU HD11 H 1 0.712 0.03 . 2 . . . . 50 LEU HD11 . 11024 1 481 . 1 1 69 69 LEU HD12 H 1 0.712 0.03 . 2 . . . . 50 LEU HD11 . 11024 1 482 . 1 1 69 69 LEU HD13 H 1 0.712 0.03 . 2 . . . . 50 LEU HD11 . 11024 1 483 . 1 1 69 69 LEU HD21 H 1 0.497 0.03 . 2 . . . . 50 LEU HD21 . 11024 1 484 . 1 1 69 69 LEU HD22 H 1 0.497 0.03 . 2 . . . . 50 LEU HD22 . 11024 1 485 . 1 1 69 69 LEU HD23 H 1 0.497 0.03 . 2 . . . . 50 LEU HD22 . 11024 1 486 . 1 1 69 69 LEU C C 13 179.048 0.3 . 1 . . . . 50 LEU C . 11024 1 487 . 1 1 69 69 LEU CA C 13 57.839 0.3 . 1 . . . . 50 LEU CA . 11024 1 488 . 1 1 69 69 LEU CB C 13 39.089 0.3 . 1 . . . . 50 LEU CB . 11024 1 489 . 1 1 69 69 LEU CD1 C 13 24.777 0.3 . 1 . . . . 50 LEU CD1 . 11024 1 490 . 1 1 69 69 LEU CD2 C 13 23.208 0.3 . 1 . . . . 50 LEU CD2 . 11024 1 491 . 1 1 69 69 LEU N N 15 117.233 0.1 . 1 . . . . 50 LEU N . 11024 1 492 . 1 1 70 70 SER H H 1 7.667 0.03 . 1 . . . . 51 SER HN . 11024 1 493 . 1 1 70 70 SER HA H 1 4.270 0.03 . 1 . . . . 51 SER HA . 11024 1 494 . 1 1 70 70 SER HB2 H 1 4.037 0.03 . 2 . . . . 51 SER HB2 . 11024 1 495 . 1 1 70 70 SER HB3 H 1 4.037 0.03 . 2 . . . . 51 SER HB1 . 11024 1 496 . 1 1 70 70 SER C C 13 178.593 0.3 . 1 . . . . 51 SER C . 11024 1 497 . 1 1 70 70 SER CA C 13 61.354 0.3 . 1 . . . . 51 SER CA . 11024 1 498 . 1 1 70 70 SER CB C 13 63.698 0.3 . 1 . . . . 51 SER CB . 11024 1 499 . 1 1 70 70 SER N N 15 110.520 0.1 . 1 . . . . 51 SER N . 11024 1 500 . 1 1 71 71 LYS H H 1 8.375 0.03 . 1 . . . . 52 LYS HN . 11024 1 501 . 1 1 71 71 LYS HA H 1 3.991 0.03 . 1 . . . . 52 LYS HA . 11024 1 502 . 1 1 71 71 LYS HB2 H 1 1.800 0.03 . 2 . . . . 52 LYS HB2 . 11024 1 503 . 1 1 71 71 LYS HB3 H 1 1.800 0.03 . 2 . . . . 52 LYS HB1 . 11024 1 504 . 1 1 71 71 LYS HD2 H 1 1.340 0.03 . 2 . . . . 52 LYS HD2 . 11024 1 505 . 1 1 71 71 LYS HD3 H 1 1.340 0.03 . 2 . . . . 52 LYS HD1 . 11024 1 506 . 1 1 71 71 LYS HE2 H 1 2.970 0.03 . 2 . . . . 52 LYS HE2 . 11024 1 507 . 1 1 71 71 LYS HE3 H 1 2.940 0.03 . 2 . . . . 52 LYS HE1 . 11024 1 508 . 1 1 71 71 LYS HG2 H 1 1.610 0.03 . 2 . . . . 52 LYS HG2 . 11024 1 509 . 1 1 71 71 LYS HG3 H 1 1.610 0.03 . 2 . . . . 52 LYS HG1 . 11024 1 510 . 1 1 71 71 LYS C C 13 178.084 0.3 . 1 . . . . 52 LYS C . 11024 1 511 . 1 1 71 71 LYS CA C 13 60.183 0.3 . 1 . . . . 52 LYS CA . 11024 1 512 . 1 1 71 71 LYS CB C 13 34.401 0.3 . 1 . . . . 52 LYS CB . 11024 1 513 . 1 1 71 71 LYS N N 15 121.984 0.1 . 1 . . . . 52 LYS N . 11024 1 514 . 1 1 72 72 LEU H H 1 7.883 0.03 . 1 . . . . 53 LEU HN . 11024 1 515 . 1 1 72 72 LEU HA H 1 3.920 0.03 . 1 . . . . 53 LEU HA . 11024 1 516 . 1 1 72 72 LEU HB2 H 1 0.943 0.03 . 2 . . . . 53 LEU HB2 . 11024 1 517 . 1 1 72 72 LEU HB3 H 1 1.470 0.03 . 2 . . . . 53 LEU HB1 . 11024 1 518 . 1 1 72 72 LEU HD11 H 1 0.454 0.03 . 2 . . . . 53 LEU HD11 . 11024 1 519 . 1 1 72 72 LEU HD12 H 1 0.454 0.03 . 2 . . . . 53 LEU HD11 . 11024 1 520 . 1 1 72 72 LEU HD13 H 1 0.454 0.03 . 2 . . . . 53 LEU HD11 . 11024 1 521 . 1 1 72 72 LEU HD21 H 1 0.151 0.03 . 2 . . . . 53 LEU HD21 . 11024 1 522 . 1 1 72 72 LEU HD22 H 1 0.151 0.03 . 2 . . . . 53 LEU HD21 . 11024 1 523 . 1 1 72 72 LEU HD23 H 1 0.151 0.03 . 2 . . . . 53 LEU HD21 . 11024 1 524 . 1 1 72 72 LEU C C 13 173.569 0.3 . 1 . . . . 53 LEU C . 11024 1 525 . 1 1 72 72 LEU CA C 13 54.323 0.3 . 1 . . . . 53 LEU CA . 11024 1 526 . 1 1 72 72 LEU CB C 13 41.433 0.3 . 1 . . . . 53 LEU CB . 11024 1 527 . 1 1 72 72 LEU CD1 C 13 25.670 0.3 . 2 . . . . 53 LEU CD1 . 11024 1 528 . 1 1 72 72 LEU CD2 C 13 21.307 0.3 . 2 . . . . 53 LEU CD2 . 11024 1 529 . 1 1 72 72 LEU N N 15 113.269 0.1 . 1 . . . . 53 LEU N . 11024 1 530 . 1 1 73 73 GLU H H 1 7.579 0.03 . 1 . . . . 54 GLU HN . 11024 1 531 . 1 1 73 73 GLU HA H 1 3.808 0.03 . 1 . . . . 54 GLU HA . 11024 1 532 . 1 1 73 73 GLU HB2 H 1 2.136 0.03 . 2 . . . . 54 GLU HB2 . 11024 1 533 . 1 1 73 73 GLU HB3 H 1 2.080 0.03 . 2 . . . . 54 GLU HB1 . 11024 1 534 . 1 1 73 73 GLU HG2 H 1 2.220 0.03 . 2 . . . . 54 GLU HG2 . 11024 1 535 . 1 1 73 73 GLU HG3 H 1 2.220 0.03 . 2 . . . . 54 GLU HG1 . 11024 1 536 . 1 1 73 73 GLU C C 13 176.231 0.3 . 1 . . . . 54 GLU C . 11024 1 537 . 1 1 73 73 GLU CA C 13 56.667 0.3 . 1 . . . . 54 GLU CA . 11024 1 538 . 1 1 73 73 GLU CB C 13 26.198 0.3 . 1 . . . . 54 GLU CB . 11024 1 539 . 1 1 73 73 GLU CG C 13 36.745 0.3 . 1 . . . . 54 GLU CG . 11024 1 540 . 1 1 73 73 GLU N N 15 113.727 0.1 . 1 . . . . 54 GLU N . 11024 1 541 . 1 1 74 74 VAL H H 1 7.916 0.03 . 1 . . . . 55 VAL HN . 11024 1 542 . 1 1 74 74 VAL HA H 1 4.900 0.03 . 1 . . . . 55 VAL HA . 11024 1 543 . 1 1 74 74 VAL HG11 H 1 0.741 0.03 . 2 . . . . 55 VAL HG11 . 11024 1 544 . 1 1 74 74 VAL HG12 H 1 0.741 0.03 . 2 . . . . 55 VAL HG11 . 11024 1 545 . 1 1 74 74 VAL HG13 H 1 0.741 0.03 . 2 . . . . 55 VAL HG11 . 11024 1 546 . 1 1 74 74 VAL HG21 H 1 0.861 0.03 . 2 . . . . 55 VAL HG21 . 11024 1 547 . 1 1 74 74 VAL HG22 H 1 0.861 0.03 . 2 . . . . 55 VAL HG21 . 11024 1 548 . 1 1 74 74 VAL HG23 H 1 0.861 0.03 . 2 . . . . 55 VAL HG21 . 11024 1 549 . 1 1 74 74 VAL CA C 13 59.011 0.3 . 1 . . . . 55 VAL CA . 11024 1 550 . 1 1 74 74 VAL CB C 13 34.401 0.3 . 1 . . . . 55 VAL CB . 11024 1 551 . 1 1 74 74 VAL CG1 C 13 19.188 0.3 . 1 . . . . 55 VAL CG1 . 11024 1 552 . 1 1 74 74 VAL CG2 C 13 21.179 0.3 . 1 . . . . 55 VAL CG2 . 11024 1 553 . 1 1 74 74 VAL N N 15 108.418 0.1 . 1 . . . . 55 VAL N . 11024 1 554 . 1 1 75 75 GLN H H 1 8.351 0.03 . 1 . . . . 56 GLN HN . 11024 1 555 . 1 1 75 75 GLN HA H 1 4.290 0.03 . 1 . . . . 56 GLN HA . 11024 1 556 . 1 1 75 75 GLN HB2 H 1 2.440 0.03 . 2 . . . . 56 GLN HB2 . 11024 1 557 . 1 1 75 75 GLN HB3 H 1 2.440 0.03 . 2 . . . . 56 GLN HB1 . 11024 1 558 . 1 1 75 75 GLN C C 13 176.084 0.3 . 1 . . . . 56 GLN C . 11024 1 559 . 1 1 75 75 GLN CA C 13 57.839 0.3 . 1 . . . . 56 GLN CA . 11024 1 560 . 1 1 75 75 GLN CB C 13 30.886 0.3 . 1 . . . . 56 GLN CB . 11024 1 561 . 1 1 75 75 GLN CG C 13 34.401 0.3 . 1 . . . . 56 GLN CG . 11024 1 562 . 1 1 75 75 GLN N N 15 115.746 0.1 . 1 . . . . 56 GLN N . 11024 1 563 . 1 1 76 76 ASP H H 1 7.416 0.03 . 1 . . . . 57 ASP HN . 11024 1 564 . 1 1 76 76 ASP HA H 1 4.270 0.03 . 1 . . . . 57 ASP HA . 11024 1 565 . 1 1 76 76 ASP HB2 H 1 2.260 0.03 . 2 . . . . 57 ASP HB2 . 11024 1 566 . 1 1 76 76 ASP HB3 H 1 2.840 0.03 . 2 . . . . 57 ASP HB1 . 11024 1 567 . 1 1 76 76 ASP CA C 13 53.151 0.3 . 1 . . . . 57 ASP CA . 11024 1 568 . 1 1 76 76 ASP CB C 13 43.776 0.3 . 1 . . . . 57 ASP CB . 11024 1 569 . 1 1 76 76 ASP N N 15 113.557 0.1 . 1 . . . . 57 ASP N . 11024 1 570 . 1 1 77 77 ARG H H 1 8.303 0.03 . 1 . . . . 58 ARG HN . 11024 1 571 . 1 1 77 77 ARG HA H 1 4.008 0.03 . 1 . . . . 58 ARG HA . 11024 1 572 . 1 1 77 77 ARG HB3 H 1 1.774 0.03 . 2 . . . . 58 ARG HB1 . 11024 1 573 . 1 1 77 77 ARG HD3 H 1 3.015 0.03 . 2 . . . . 58 ARG HD1 . 11024 1 574 . 1 1 77 77 ARG HG3 H 1 1.774 0.03 . 2 . . . . 58 ARG HG1 . 11024 1 575 . 1 1 77 77 ARG C C 13 177.511 0.3 . 1 . . . . 58 ARG C . 11024 1 576 . 1 1 77 77 ARG CA C 13 60.183 0.3 . 1 . . . . 58 ARG CA . 11024 1 577 . 1 1 77 77 ARG CB C 13 32.058 0.3 . 1 . . . . 58 ARG CB . 11024 1 578 . 1 1 77 77 ARG CG C 13 25.026 0.3 . 1 . . . . 58 ARG CG . 11024 1 579 . 1 1 77 77 ARG N N 15 118.561 0.1 . 1 . . . . 58 ARG N . 11024 1 580 . 1 1 78 78 THR H H 1 8.071 0.03 . 1 . . . . 59 THR HN . 11024 1 581 . 1 1 78 78 THR HA H 1 4.350 0.03 . 1 . . . . 59 THR HA . 11024 1 582 . 1 1 78 78 THR HB H 1 3.947 0.03 . 1 . . . . 59 THR HB . 11024 1 583 . 1 1 78 78 THR HG21 H 1 1.277 0.03 . 1 . . . . 59 THR HG21 . 11024 1 584 . 1 1 78 78 THR HG22 H 1 1.277 0.03 . 1 . . . . 59 THR HG21 . 11024 1 585 . 1 1 78 78 THR HG23 H 1 1.277 0.03 . 1 . . . . 59 THR HG21 . 11024 1 586 . 1 1 78 78 THR C C 13 177.014 0.3 . 1 . . . . 59 THR C . 11024 1 587 . 1 1 78 78 THR CA C 13 66.042 0.3 . 1 . . . . 59 THR CA . 11024 1 588 . 1 1 78 78 THR CB C 13 68.386 0.3 . 1 . . . . 59 THR CB . 11024 1 589 . 1 1 78 78 THR CG2 C 13 22.777 0.3 . 1 . . . . 59 THR CG2 . 11024 1 590 . 1 1 78 78 THR N N 15 114.814 0.1 . 1 . . . . 59 THR N . 11024 1 591 . 1 1 79 79 GLN H H 1 8.567 0.03 . 1 . . . . 60 GLN HN . 11024 1 592 . 1 1 79 79 GLN HA H 1 4.150 0.03 . 1 . . . . 60 GLN HA . 11024 1 593 . 1 1 79 79 GLN HB2 H 1 2.646 0.03 . 2 . . . . 60 GLN HB2 . 11024 1 594 . 1 1 79 79 GLN HB3 H 1 2.899 0.03 . 2 . . . . 60 GLN HB1 . 11024 1 595 . 1 1 79 79 GLN HG2 H 1 2.250 0.03 . 2 . . . . 60 GLN HG2 . 11024 1 596 . 1 1 79 79 GLN HG3 H 1 2.250 0.03 . 2 . . . . 60 GLN HG1 . 11024 1 597 . 1 1 79 79 GLN C C 13 179.331 0.3 . 1 . . . . 60 GLN C . 11024 1 598 . 1 1 79 79 GLN CA C 13 59.011 0.3 . 1 . . . . 60 GLN CA . 11024 1 599 . 1 1 79 79 GLN CB C 13 28.542 0.3 . 1 . . . . 60 GLN CB . 11024 1 600 . 1 1 79 79 GLN CG C 13 34.401 0.3 . 1 . . . . 60 GLN CG . 11024 1 601 . 1 1 79 79 GLN N N 15 120.121 0.1 . 1 . . . . 60 GLN N . 11024 1 602 . 1 1 80 80 ALA H H 1 7.854 0.03 . 1 . . . . 61 ALA HN . 11024 1 603 . 1 1 80 80 ALA HA H 1 4.043 0.03 . 1 . . . . 61 ALA HA . 11024 1 604 . 1 1 80 80 ALA HB1 H 1 1.362 0.03 . 1 . . . . 61 ALA HB1 . 11024 1 605 . 1 1 80 80 ALA HB2 H 1 1.362 0.03 . 1 . . . . 61 ALA HB1 . 11024 1 606 . 1 1 80 80 ALA HB3 H 1 1.362 0.03 . 1 . . . . 61 ALA HB1 . 11024 1 607 . 1 1 80 80 ALA C C 13 177.899 0.3 . 1 . . . . 61 ALA C . 11024 1 608 . 1 1 80 80 ALA CA C 13 55.495 0.3 . 1 . . . . 61 ALA CA . 11024 1 609 . 1 1 80 80 ALA CB C 13 16.823 0.3 . 1 . . . . 61 ALA CB . 11024 1 610 . 1 1 80 80 ALA N N 15 122.897 0.1 . 1 . . . . 61 ALA N . 11024 1 611 . 1 1 81 81 VAL H H 1 7.784 0.03 . 1 . . . . 62 VAL HN . 11024 1 612 . 1 1 81 81 VAL HA H 1 3.480 0.03 . 1 . . . . 62 VAL HA . 11024 1 613 . 1 1 81 81 VAL HB H 1 2.510 0.03 . 1 . . . . 62 VAL HB . 11024 1 614 . 1 1 81 81 VAL HG11 H 1 0.889 0.03 . 2 . . . . 62 VAL HG11 . 11024 1 615 . 1 1 81 81 VAL HG12 H 1 0.889 0.03 . 2 . . . . 62 VAL HG11 . 11024 1 616 . 1 1 81 81 VAL HG13 H 1 0.889 0.03 . 2 . . . . 62 VAL HG11 . 11024 1 617 . 1 1 81 81 VAL HG21 H 1 1.130 0.03 . 2 . . . . 62 VAL HG21 . 11024 1 618 . 1 1 81 81 VAL HG22 H 1 1.130 0.03 . 2 . . . . 62 VAL HG21 . 11024 1 619 . 1 1 81 81 VAL HG23 H 1 1.130 0.03 . 2 . . . . 62 VAL HG21 . 11024 1 620 . 1 1 81 81 VAL C C 13 177.578 0.3 . 1 . . . . 62 VAL C . 11024 1 621 . 1 1 81 81 VAL CA C 13 67.214 0.3 . 1 . . . . 62 VAL CA . 11024 1 622 . 1 1 81 81 VAL CB C 13 32.058 0.3 . 1 . . . . 62 VAL CB . 11024 1 623 . 1 1 81 81 VAL CG1 C 13 21.907 0.3 . 1 . . . . 62 VAL CG1 . 11024 1 624 . 1 1 81 81 VAL CG2 C 13 24.354 0.3 . 1 . . . . 62 VAL CG2 . 11024 1 625 . 1 1 81 81 VAL N N 15 118.501 0.1 . 1 . . . . 62 VAL N . 11024 1 626 . 1 1 82 82 ILE H H 1 7.984 0.03 . 1 . . . . 63 ILE HN . 11024 1 627 . 1 1 82 82 ILE HA H 1 3.700 0.03 . 1 . . . . 63 ILE HA . 11024 1 628 . 1 1 82 82 ILE HB H 1 1.890 0.03 . 1 . . . . 63 ILE HB . 11024 1 629 . 1 1 82 82 ILE HD11 H 1 0.888 0.03 . 1 . . . . 63 ILE HD11 . 11024 1 630 . 1 1 82 82 ILE HD12 H 1 0.888 0.03 . 1 . . . . 63 ILE HD11 . 11024 1 631 . 1 1 82 82 ILE HD13 H 1 0.888 0.03 . 1 . . . . 63 ILE HD11 . 11024 1 632 . 1 1 82 82 ILE HG13 H 1 1.294 0.03 . 1 . . . . 63 ILE HG11 . 11024 1 633 . 1 1 82 82 ILE HG21 H 1 1.050 0.03 . 1 . . . . 63 ILE HG21 . 11024 1 634 . 1 1 82 82 ILE HG22 H 1 1.050 0.03 . 1 . . . . 63 ILE HG21 . 11024 1 635 . 1 1 82 82 ILE HG23 H 1 1.050 0.03 . 1 . . . . 63 ILE HG21 . 11024 1 636 . 1 1 82 82 ILE C C 13 178.391 0.3 . 1 . . . . 63 ILE C . 11024 1 637 . 1 1 82 82 ILE CA C 13 66.042 0.3 . 1 . . . . 63 ILE CA . 11024 1 638 . 1 1 82 82 ILE CB C 13 37.917 0.3 . 1 . . . . 63 ILE CB . 11024 1 639 . 1 1 82 82 ILE CD1 C 13 13.934 0.3 . 1 . . . . 63 ILE CD1 . 11024 1 640 . 1 1 82 82 ILE CG2 C 13 18.251 0.3 . 1 . . . . 63 ILE CG2 . 11024 1 641 . 1 1 82 82 ILE N N 15 119.374 0.1 . 1 . . . . 63 ILE N . 11024 1 642 . 1 1 83 83 TYR H H 1 8.234 0.03 . 1 . . . . 64 TYR HN . 11024 1 643 . 1 1 83 83 TYR HA H 1 4.240 0.03 . 1 . . . . 64 TYR HA . 11024 1 644 . 1 1 83 83 TYR HB2 H 1 3.140 0.03 . 2 . . . . 64 TYR HB2 . 11024 1 645 . 1 1 83 83 TYR HB3 H 1 3.520 0.03 . 2 . . . . 64 TYR HB1 . 11024 1 646 . 1 1 83 83 TYR HD1 H 1 6.990 0.03 . 3 . . . . 64 TYR HD1 . 11024 1 647 . 1 1 83 83 TYR HE1 H 1 6.714 0.03 . 3 . . . . 64 TYR HE1 . 11024 1 648 . 1 1 83 83 TYR C C 13 177.586 0.3 . 1 . . . . 64 TYR C . 11024 1 649 . 1 1 83 83 TYR CA C 13 62.526 0.3 . 1 . . . . 64 TYR CA . 11024 1 650 . 1 1 83 83 TYR CB C 13 37.917 0.3 . 1 . . . . 64 TYR CB . 11024 1 651 . 1 1 83 83 TYR CD1 C 13 117.433 0.3 . 4 . . . . 64 TYR CE1 . 11024 1 652 . 1 1 83 83 TYR CE1 C 13 118.554 0.3 . 4 . . . . 64 TYR CE1 . 11024 1 653 . 1 1 83 83 TYR N N 15 120.331 0.1 . 1 . . . . 64 TYR N . 11024 1 654 . 1 1 84 84 ALA H H 1 8.369 0.03 . 1 . . . . 65 ALA HN . 11024 1 655 . 1 1 84 84 ALA HA H 1 3.922 0.03 . 1 . . . . 65 ALA HA . 11024 1 656 . 1 1 84 84 ALA HB1 H 1 1.368 0.03 . 1 . . . . 65 ALA HB1 . 11024 1 657 . 1 1 84 84 ALA HB2 H 1 1.368 0.03 . 1 . . . . 65 ALA HB1 . 11024 1 658 . 1 1 84 84 ALA HB3 H 1 1.368 0.03 . 1 . . . . 65 ALA HB1 . 11024 1 659 . 1 1 84 84 ALA C C 13 179.472 0.3 . 1 . . . . 65 ALA C . 11024 1 660 . 1 1 84 84 ALA CA C 13 55.495 0.3 . 1 . . . . 65 ALA CA . 11024 1 661 . 1 1 84 84 ALA CB C 13 17.995 0.3 . 1 . . . . 65 ALA CB . 11024 1 662 . 1 1 84 84 ALA N N 15 121.313 0.1 . 1 . . . . 65 ALA N . 11024 1 663 . 1 1 85 85 PHE H H 1 8.255 0.03 . 1 . . . . 66 PHE HN . 11024 1 664 . 1 1 85 85 PHE HA H 1 4.280 0.03 . 1 . . . . 66 PHE HA . 11024 1 665 . 1 1 85 85 PHE HB2 H 1 2.870 0.03 . 2 . . . . 66 PHE HB2 . 11024 1 666 . 1 1 85 85 PHE HB3 H 1 2.968 0.03 . 2 . . . . 66 PHE HB1 . 11024 1 667 . 1 1 85 85 PHE HD1 H 1 7.340 0.03 . 3 . . . . 66 PHE HD1 . 11024 1 668 . 1 1 85 85 PHE HE1 H 1 7.340 0.03 . 3 . . . . 66 PHE HE1 . 11024 1 669 . 1 1 85 85 PHE C C 13 180.486 0.3 . 1 . . . . 66 PHE C . 11024 1 670 . 1 1 85 85 PHE CA C 13 61.354 0.3 . 1 . . . . 66 PHE CA . 11024 1 671 . 1 1 85 85 PHE CB C 13 39.089 0.3 . 1 . . . . 66 PHE CB . 11024 1 672 . 1 1 85 85 PHE N N 15 116.599 0.1 . 1 . . . . 66 PHE N . 11024 1 673 . 1 1 86 86 GLN H H 1 8.931 0.03 . 1 . . . . 67 GLN HN . 11024 1 674 . 1 1 86 86 GLN HA H 1 4.030 0.03 . 1 . . . . 67 GLN HA . 11024 1 675 . 1 1 86 86 GLN HB2 H 1 1.810 0.03 . 2 . . . . 67 GLN HB2 . 11024 1 676 . 1 1 86 86 GLN HB3 H 1 2.140 0.03 . 2 . . . . 67 GLN HB1 . 11024 1 677 . 1 1 86 86 GLN HG2 H 1 2.490 0.03 . 2 . . . . 67 GLN HG2 . 11024 1 678 . 1 1 86 86 GLN HG3 H 1 2.240 0.03 . 2 . . . . 67 GLN HG1 . 11024 1 679 . 1 1 86 86 GLN C C 13 177.538 0.3 . 1 . . . . 67 GLN C . 11024 1 680 . 1 1 86 86 GLN CA C 13 59.011 0.3 . 1 . . . . 67 GLN CA . 11024 1 681 . 1 1 86 86 GLN CB C 13 28.542 0.3 . 1 . . . . 67 GLN CB . 11024 1 682 . 1 1 86 86 GLN CG C 13 34.050 0.3 . 1 . . . . 67 GLN CG . 11024 1 683 . 1 1 86 86 GLN N N 15 121.535 0.1 . 1 . . . . 67 GLN N . 11024 1 684 . 1 1 87 87 HIS H H 1 7.591 0.03 . 1 . . . . 68 HIS HN . 11024 1 685 . 1 1 87 87 HIS HA H 1 4.420 0.03 . 1 . . . . 68 HIS HA . 11024 1 686 . 1 1 87 87 HIS HB2 H 1 3.316 0.03 . 2 . . . . 68 HIS HB2 . 11024 1 687 . 1 1 87 87 HIS HB3 H 1 2.266 0.03 . 2 . . . . 68 HIS HB1 . 11024 1 688 . 1 1 87 87 HIS C C 13 173.505 0.3 . 1 . . . . 68 HIS C . 11024 1 689 . 1 1 87 87 HIS CA C 13 56.667 0.3 . 1 . . . . 68 HIS CA . 11024 1 690 . 1 1 87 87 HIS CB C 13 29.714 0.3 . 1 . . . . 68 HIS CB . 11024 1 691 . 1 1 87 87 HIS N N 15 114.412 0.1 . 1 . . . . 68 HIS N . 11024 1 692 . 1 1 88 88 ASN H H 1 7.847 0.03 . 1 . . . . 69 ASN HN . 11024 1 693 . 1 1 88 88 ASN HA H 1 4.487 0.03 . 1 . . . . 69 ASN HA . 11024 1 694 . 1 1 88 88 ASN HB2 H 1 2.720 0.03 . 2 . . . . 69 ASN HB2 . 11024 1 695 . 1 1 88 88 ASN HB3 H 1 3.070 0.03 . 2 . . . . 69 ASN HB1 . 11024 1 696 . 1 1 88 88 ASN C C 13 175.064 0.3 . 1 . . . . 69 ASN C . 11024 1 697 . 1 1 88 88 ASN CA C 13 54.323 0.3 . 1 . . . . 69 ASN CA . 11024 1 698 . 1 1 88 88 ASN CB C 13 36.745 0.3 . 1 . . . . 69 ASN CB . 11024 1 699 . 1 1 88 88 ASN N N 15 114.616 0.1 . 1 . . . . 69 ASN N . 11024 1 700 . 1 1 89 89 LEU H H 1 8.261 0.03 . 1 . . . . 70 LEU HN . 11024 1 701 . 1 1 89 89 LEU HA H 1 4.080 0.03 . 1 . . . . 70 LEU HA . 11024 1 702 . 1 1 89 89 LEU HB2 H 1 1.320 0.03 . 2 . . . . 70 LEU HB2 . 11024 1 703 . 1 1 89 89 LEU HB3 H 1 1.460 0.03 . 2 . . . . 70 LEU HB1 . 11024 1 704 . 1 1 89 89 LEU HD11 H 1 0.572 0.03 . 2 . . . . 70 LEU HD11 . 11024 1 705 . 1 1 89 89 LEU HD12 H 1 0.572 0.03 . 2 . . . . 70 LEU HD11 . 11024 1 706 . 1 1 89 89 LEU HD13 H 1 0.572 0.03 . 2 . . . . 70 LEU HD11 . 11024 1 707 . 1 1 89 89 LEU HD21 H 1 0.118 0.03 . 2 . . . . 70 LEU HD21 . 11024 1 708 . 1 1 89 89 LEU HD22 H 1 0.118 0.03 . 2 . . . . 70 LEU HD21 . 11024 1 709 . 1 1 89 89 LEU HD23 H 1 0.118 0.03 . 2 . . . . 70 LEU HD21 . 11024 1 710 . 1 1 89 89 LEU C C 13 176.209 0.3 . 1 . . . . 70 LEU C . 11024 1 711 . 1 1 89 89 LEU CA C 13 55.495 0.3 . 1 . . . . 70 LEU CA . 11024 1 712 . 1 1 89 89 LEU CB C 13 41.433 0.3 . 1 . . . . 70 LEU CB . 11024 1 713 . 1 1 89 89 LEU CD1 C 13 25.082 0.3 . 2 . . . . 70 LEU CD1 . 11024 1 714 . 1 1 89 89 LEU CD2 C 13 20.643 0.3 . 2 . . . . 70 LEU CD2 . 11024 1 715 . 1 1 89 89 LEU N N 15 114.462 0.1 . 1 . . . . 70 LEU N . 11024 1 716 . 1 1 90 90 ILE H H 1 7.155 0.03 . 1 . . . . 71 ILE HN . 11024 1 717 . 1 1 90 90 ILE HA H 1 4.026 0.03 . 1 . . . . 71 ILE HA . 11024 1 718 . 1 1 90 90 ILE HB H 1 1.550 0.03 . 1 . . . . 71 ILE HB . 11024 1 719 . 1 1 90 90 ILE HD11 H 1 0.452 0.03 . 1 . . . . 71 ILE HD11 . 11024 1 720 . 1 1 90 90 ILE HD12 H 1 0.452 0.03 . 1 . . . . 71 ILE HD11 . 11024 1 721 . 1 1 90 90 ILE HD13 H 1 0.452 0.03 . 1 . . . . 71 ILE HD11 . 11024 1 722 . 1 1 90 90 ILE HG12 H 1 0.930 0.03 . 1 . . . . 71 ILE HG12 . 11024 1 723 . 1 1 90 90 ILE HG13 H 1 0.930 0.03 . 1 . . . . 71 ILE HG11 . 11024 1 724 . 1 1 90 90 ILE HG21 H 1 0.321 0.03 . 1 . . . . 71 ILE HG21 . 11024 1 725 . 1 1 90 90 ILE HG22 H 1 0.321 0.03 . 1 . . . . 71 ILE HG21 . 11024 1 726 . 1 1 90 90 ILE HG23 H 1 0.321 0.03 . 1 . . . . 71 ILE HG21 . 11024 1 727 . 1 1 90 90 ILE C C 13 173.450 0.3 . 1 . . . . 71 ILE C . 11024 1 728 . 1 1 90 90 ILE CA C 13 59.011 0.3 . 1 . . . . 71 ILE CA . 11024 1 729 . 1 1 90 90 ILE CB C 13 39.089 0.3 . 1 . . . . 71 ILE CB . 11024 1 730 . 1 1 90 90 ILE CD1 C 13 13.323 0.3 . 1 . . . . 71 ILE CD1 . 11024 1 731 . 1 1 90 90 ILE CG1 C 13 27.370 0.3 . 1 . . . . 71 ILE CG1 . 11024 1 732 . 1 1 90 90 ILE CG2 C 13 16.565 0.3 . 1 . . . . 71 ILE CG2 . 11024 1 733 . 1 1 90 90 ILE N N 15 115.199 0.1 . 1 . . . . 71 ILE N . 11024 1 734 . 1 1 91 91 GLN H H 1 7.603 0.03 . 1 . . . . 72 GLN HN . 11024 1 735 . 1 1 91 91 GLN HA H 1 4.260 0.03 . 1 . . . . 72 GLN HA . 11024 1 736 . 1 1 91 91 GLN HB2 H 1 2.126 0.03 . 2 . . . . 72 GLN HB2 . 11024 1 737 . 1 1 91 91 GLN HB3 H 1 1.991 0.03 . 2 . . . . 72 GLN HB1 . 11024 1 738 . 1 1 91 91 GLN HG2 H 1 1.880 0.03 . 2 . . . . 72 GLN HG2 . 11024 1 739 . 1 1 91 91 GLN HG3 H 1 2.210 0.03 . 2 . . . . 72 GLN HG1 . 11024 1 740 . 1 1 91 91 GLN CA C 13 57.839 0.3 . 1 . . . . 72 GLN CA . 11024 1 741 . 1 1 91 91 GLN CB C 13 30.886 0.3 . 1 . . . . 72 GLN CB . 11024 1 742 . 1 1 91 91 GLN N N 15 128.776 0.1 . 1 . . . . 72 GLN N . 11024 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 26 11024 1 1 27 11024 1 2 226 11024 1 2 227 11024 1 3 231 11024 1 3 232 11024 1 4 651 11024 1 4 652 11024 1 stop_ save_