data_18692 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18692 _Entry.Title ; Solution structure of HP1264 from Helicobacter pylori ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-31 _Entry.Accession_date 2012-08-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Ki-Young Lee . . . 18692 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18692 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HP1264 . 18692 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18692 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 18692 '15N chemical shifts' 71 18692 '1H chemical shifts' 507 18692 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 . . 2013-08-07 2012-08-31 update BMRB 'update entry citation' 18692 1 . . 2012-10-01 2012-08-31 original author 'original release' 18692 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LXR 'BMRB Entry Tracking System' 18692 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18692 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23406339 _Citation.Full_citation . _Citation.Title 'Structural characterization of HP1264 reveals a novel fold for the flavin mononucleotide binding protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 52 _Citation.Journal_issue 9 _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 1583 _Citation.Page_last 1593 _Citation.Year 2013 _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 Ki-Young Lee . . . 18692 1 2 Ji-Hun Kim . . . 18692 1 3 Kyu-Yeon Lee . . . 18692 1 4 Jiyun Lee . . . 18692 1 5 Ingyun Lee . . . 18692 1 6 Ye-Ji Bae . . . 18692 1 7 Bong-Jin Lee . . . 18692 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18692 _Assembly.ID 1 _Assembly.Name HP1264 _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 HP1264 1 $entity A . yes native no no . . . 18692 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18692 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MKRFDLRPLKAGIFERLEEL IEKEMQPNEVAIFMFEVGDF SNIPKSAEFIQSKGHELLNS LRFNQADWTIVVRKKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _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 8939.449 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LXR . "Solution Structure Of Hp1264 From Helicobacter Pylori" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 2 no DBJ BAJ55796 . "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori F16]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 3 no DBJ BAJ56230 . "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori F30]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 4 no DBJ BAJ58776 . "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori F32]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 5 no DBJ BAJ60297 . "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori F57]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 6 no DBJ BAM97127 . "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori OK113]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 7 no EMBL CAX29950 . "NADH-ubiquinone oxidoreductase, chain E [Helicobacter pylori B38]" . . . . . 100.00 76 98.68 100.00 1.19e-45 . . . . 18692 1 8 no EMBL CBI65773 . "NADH dehydrogenase I chain E [Helicobacter pylori B8]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 9 no GB AAD06771 . "putative NADH oxidoreductase I [Helicobacter pylori J99]" . . . . . 100.00 76 98.68 98.68 2.42e-45 . . . . 18692 1 10 no GB AAD08321 . "predicted coding region HP1264 [Helicobacter pylori 26695]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 11 no GB ABF85275 . "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori HPAG1]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 12 no GB ACD48710 . "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori Shi470]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 13 no GB ACI27958 . "NADH-ubiquinone oxidoreductase chain E [Helicobacter pylori G27]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 14 no REF NP_208056 . "hypothetical protein HP1264 [Helicobacter pylori 26695]" . . . . . 100.00 76 100.00 100.00 2.09e-46 . . . . 18692 1 15 no REF WP_000819159 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 76 98.68 98.68 3.35e-45 . . . . 18692 1 16 no REF WP_000819160 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 76 97.37 97.37 1.41e-44 . . . . 18692 1 17 no REF WP_000819162 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 76 97.37 97.37 1.28e-44 . . . . 18692 1 18 no REF WP_000819163 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 76 97.37 98.68 1.04e-44 . . . . 18692 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 . 18692 1 2 . LYS . 18692 1 3 . ARG . 18692 1 4 . PHE . 18692 1 5 . ASP . 18692 1 6 . LEU . 18692 1 7 . ARG . 18692 1 8 . PRO . 18692 1 9 . LEU . 18692 1 10 . LYS . 18692 1 11 . ALA . 18692 1 12 . GLY . 18692 1 13 . ILE . 18692 1 14 . PHE . 18692 1 15 . GLU . 18692 1 16 . ARG . 18692 1 17 . LEU . 18692 1 18 . GLU . 18692 1 19 . GLU . 18692 1 20 . LEU . 18692 1 21 . ILE . 18692 1 22 . GLU . 18692 1 23 . LYS . 18692 1 24 . GLU . 18692 1 25 . MET . 18692 1 26 . GLN . 18692 1 27 . PRO . 18692 1 28 . ASN . 18692 1 29 . GLU . 18692 1 30 . VAL . 18692 1 31 . ALA . 18692 1 32 . ILE . 18692 1 33 . PHE . 18692 1 34 . MET . 18692 1 35 . PHE . 18692 1 36 . GLU . 18692 1 37 . VAL . 18692 1 38 . GLY . 18692 1 39 . ASP . 18692 1 40 . PHE . 18692 1 41 . SER . 18692 1 42 . ASN . 18692 1 43 . ILE . 18692 1 44 . PRO . 18692 1 45 . LYS . 18692 1 46 . SER . 18692 1 47 . ALA . 18692 1 48 . GLU . 18692 1 49 . PHE . 18692 1 50 . ILE . 18692 1 51 . GLN . 18692 1 52 . SER . 18692 1 53 . LYS . 18692 1 54 . GLY . 18692 1 55 . HIS . 18692 1 56 . GLU . 18692 1 57 . LEU . 18692 1 58 . LEU . 18692 1 59 . ASN . 18692 1 60 . SER . 18692 1 61 . LEU . 18692 1 62 . ARG . 18692 1 63 . PHE . 18692 1 64 . ASN . 18692 1 65 . GLN . 18692 1 66 . ALA . 18692 1 67 . ASP . 18692 1 68 . TRP . 18692 1 69 . THR . 18692 1 70 . ILE . 18692 1 71 . VAL . 18692 1 72 . VAL . 18692 1 73 . ARG . 18692 1 74 . LYS . 18692 1 75 . LYS . 18692 1 76 . ALA . 18692 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 18692 1 . LYS 2 2 18692 1 . ARG 3 3 18692 1 . PHE 4 4 18692 1 . ASP 5 5 18692 1 . LEU 6 6 18692 1 . ARG 7 7 18692 1 . PRO 8 8 18692 1 . LEU 9 9 18692 1 . LYS 10 10 18692 1 . ALA 11 11 18692 1 . GLY 12 12 18692 1 . ILE 13 13 18692 1 . PHE 14 14 18692 1 . GLU 15 15 18692 1 . ARG 16 16 18692 1 . LEU 17 17 18692 1 . GLU 18 18 18692 1 . GLU 19 19 18692 1 . LEU 20 20 18692 1 . ILE 21 21 18692 1 . GLU 22 22 18692 1 . LYS 23 23 18692 1 . GLU 24 24 18692 1 . MET 25 25 18692 1 . GLN 26 26 18692 1 . PRO 27 27 18692 1 . ASN 28 28 18692 1 . GLU 29 29 18692 1 . VAL 30 30 18692 1 . ALA 31 31 18692 1 . ILE 32 32 18692 1 . PHE 33 33 18692 1 . MET 34 34 18692 1 . PHE 35 35 18692 1 . GLU 36 36 18692 1 . VAL 37 37 18692 1 . GLY 38 38 18692 1 . ASP 39 39 18692 1 . PHE 40 40 18692 1 . SER 41 41 18692 1 . ASN 42 42 18692 1 . ILE 43 43 18692 1 . PRO 44 44 18692 1 . LYS 45 45 18692 1 . SER 46 46 18692 1 . ALA 47 47 18692 1 . GLU 48 48 18692 1 . PHE 49 49 18692 1 . ILE 50 50 18692 1 . GLN 51 51 18692 1 . SER 52 52 18692 1 . LYS 53 53 18692 1 . GLY 54 54 18692 1 . HIS 55 55 18692 1 . GLU 56 56 18692 1 . LEU 57 57 18692 1 . LEU 58 58 18692 1 . ASN 59 59 18692 1 . SER 60 60 18692 1 . LEU 61 61 18692 1 . ARG 62 62 18692 1 . PHE 63 63 18692 1 . ASN 64 64 18692 1 . GLN 65 65 18692 1 . ALA 66 66 18692 1 . ASP 67 67 18692 1 . TRP 68 68 18692 1 . THR 69 69 18692 1 . ILE 70 70 18692 1 . VAL 71 71 18692 1 . VAL 72 72 18692 1 . ARG 73 73 18692 1 . LYS 74 74 18692 1 . LYS 75 75 18692 1 . ALA 76 76 18692 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 18692 _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 $entity . 210 organism . 'Helicobacter pylori' 'Helicobacter pylori' . . Bacteria . Helicobacter pylori . . . . . . . . . . . . . . . . . . . . . 18692 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 18692 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 18692 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18692 _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 HP1264 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 18692 1 2 'sodium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 18692 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 18692 _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' 0.15 . M 18692 1 pH 6.0 . pH 18692 1 pressure 1 . atm 18692 1 temperature 298 . K 18692 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18692 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18692 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18692 1 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 18692 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 18692 _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 Bruker DRX . 600 . . . 18692 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 18692 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 3 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 6 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 7 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 8 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 10 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 11 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 12 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 13 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18692 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18692 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18692 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18692 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18692 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18692 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 18692 _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' . . . 18692 1 2 '3D CBCA(CO)NH' . . . 18692 1 3 '3D C(CO)NH' . . . 18692 1 4 '3D HNCO' . . . 18692 1 5 '3D HNCA' . . . 18692 1 6 '3D HNCACB' . . . 18692 1 7 '3D HBHA(CO)NH' . . . 18692 1 8 '3D HN(CO)CA' . . . 18692 1 9 '3D H(CCO)NH' . . . 18692 1 10 '3D 1H-15N NOESY' . . . 18692 1 11 '3D 1H-13C NOESY' . . . 18692 1 12 '3D HCCH-TOCSY' . . . 18692 1 13 '3D HN(CA)CO' . . . 18692 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 1 1 MET HA H 1 4.2000 . . 1 . . . A 1 MET HA . 18692 1 2 . 1 1 1 1 MET HB2 H 1 2.0300 . . 1 . . . A 1 MET HB2 . 18692 1 3 . 1 1 1 1 MET HB3 H 1 2.1670 . . 1 . . . A 1 MET HB3 . 18692 1 4 . 1 1 1 1 MET HG2 H 1 2.5100 . . 1 . . . A 1 MET HG2 . 18692 1 5 . 1 1 1 1 MET HG3 H 1 2.5100 . . 1 . . . A 1 MET HG3 . 18692 1 6 . 1 1 1 1 MET CA C 13 55.0180 . . 1 . . . A 1 MET CA . 18692 1 7 . 1 1 1 1 MET CB C 13 30.3290 . . 1 . . . A 1 MET CB . 18692 1 8 . 1 1 1 1 MET CG C 13 33.7460 . . 1 . . . A 1 MET CG . 18692 1 9 . 1 1 2 2 LYS H H 1 9.1670 . . 1 . . . A 2 LYS H . 18692 1 10 . 1 1 2 2 LYS HA H 1 3.9540 . . 1 . . . A 2 LYS HA . 18692 1 11 . 1 1 2 2 LYS HB2 H 1 1.0710 . . 1 . . . A 2 LYS HB2 . 18692 1 12 . 1 1 2 2 LYS HB3 H 1 1.4370 . . 1 . . . A 2 LYS HB3 . 18692 1 13 . 1 1 2 2 LYS HG2 H 1 1.6000 . . 1 . . . A 2 LYS HG2 . 18692 1 14 . 1 1 2 2 LYS HG3 H 1 1.7500 . . 1 . . . A 2 LYS HG3 . 18692 1 15 . 1 1 2 2 LYS HD2 H 1 1.4900 . . 1 . . . A 2 LYS HD2 . 18692 1 16 . 1 1 2 2 LYS HD3 H 1 1.6800 . . 1 . . . A 2 LYS HD3 . 18692 1 17 . 1 1 2 2 LYS HE2 H 1 3.0300 . . 1 . . . A 2 LYS HE2 . 18692 1 18 . 1 1 2 2 LYS HE3 H 1 3.0300 . . 1 . . . A 2 LYS HE3 . 18692 1 19 . 1 1 2 2 LYS C C 13 175.8260 . . 1 . . . A 2 LYS C . 18692 1 20 . 1 1 2 2 LYS CA C 13 57.4750 . . 1 . . . A 2 LYS CA . 18692 1 21 . 1 1 2 2 LYS CB C 13 34.0090 . . 1 . . . A 2 LYS CB . 18692 1 22 . 1 1 2 2 LYS CG C 13 29.7250 . . 1 . . . A 2 LYS CG . 18692 1 23 . 1 1 2 2 LYS CD C 13 25.7270 . . 1 . . . A 2 LYS CD . 18692 1 24 . 1 1 2 2 LYS CE C 13 42.2350 . . 1 . . . A 2 LYS CE . 18692 1 25 . 1 1 2 2 LYS N N 15 127.3990 . . 1 . . . A 2 LYS N . 18692 1 26 . 1 1 3 3 ARG H H 1 7.7050 . . 1 . . . A 3 ARG H . 18692 1 27 . 1 1 3 3 ARG HA H 1 4.7970 . . 1 . . . A 3 ARG HA . 18692 1 28 . 1 1 3 3 ARG HB2 H 1 1.3890 . . 1 . . . A 3 ARG HB2 . 18692 1 29 . 1 1 3 3 ARG HB3 H 1 1.4540 . . 1 . . . A 3 ARG HB3 . 18692 1 30 . 1 1 3 3 ARG HG2 H 1 1.1300 . . 1 . . . A 3 ARG HG2 . 18692 1 31 . 1 1 3 3 ARG HG3 H 1 1.2750 . . 1 . . . A 3 ARG HG3 . 18692 1 32 . 1 1 3 3 ARG HD2 H 1 3.0500 . . 1 . . . A 3 ARG HD2 . 18692 1 33 . 1 1 3 3 ARG HD3 H 1 3.0500 . . 1 . . . A 3 ARG HD3 . 18692 1 34 . 1 1 3 3 ARG C C 13 176.7190 . . 1 . . . A 3 ARG C . 18692 1 35 . 1 1 3 3 ARG CA C 13 54.0820 . . 1 . . . A 3 ARG CA . 18692 1 36 . 1 1 3 3 ARG CB C 13 32.8160 . . 1 . . . A 3 ARG CB . 18692 1 37 . 1 1 3 3 ARG CG C 13 27.2670 . . 1 . . . A 3 ARG CG . 18692 1 38 . 1 1 3 3 ARG CD C 13 43.5880 . . 1 . . . A 3 ARG CD . 18692 1 39 . 1 1 3 3 ARG N N 15 121.2070 . . 1 . . . A 3 ARG N . 18692 1 40 . 1 1 4 4 PHE H H 1 8.9130 . . 1 . . . A 4 PHE H . 18692 1 41 . 1 1 4 4 PHE HA H 1 4.7290 . . 1 . . . A 4 PHE HA . 18692 1 42 . 1 1 4 4 PHE HB2 H 1 2.5190 . . 1 . . . A 4 PHE HB2 . 18692 1 43 . 1 1 4 4 PHE HB3 H 1 2.7380 . . 1 . . . A 4 PHE HB3 . 18692 1 44 . 1 1 4 4 PHE HD2 H 1 6.4230 . . 1 . . . A 4 PHE HD2 . 18692 1 45 . 1 1 4 4 PHE HE2 H 1 6.5346 . . 3 . . . A 4 PHE HE2 . 18692 1 46 . 1 1 4 4 PHE C C 13 176.1800 . . 1 . . . A 4 PHE C . 18692 1 47 . 1 1 4 4 PHE CA C 13 56.5840 . . 1 . . . A 4 PHE CA . 18692 1 48 . 1 1 4 4 PHE CB C 13 41.7580 . . 1 . . . A 4 PHE CB . 18692 1 49 . 1 1 4 4 PHE N N 15 124.3800 . . 1 . . . A 4 PHE N . 18692 1 50 . 1 1 5 5 ASP H H 1 9.1130 . . 1 . . . A 5 ASP H . 18692 1 51 . 1 1 5 5 ASP HA H 1 4.3900 . . 1 . . . A 5 ASP HA . 18692 1 52 . 1 1 5 5 ASP HB2 H 1 2.8600 . . 1 . . . A 5 ASP HB2 . 18692 1 53 . 1 1 5 5 ASP HB3 H 1 3.0600 . . 1 . . . A 5 ASP HB3 . 18692 1 54 . 1 1 5 5 ASP C C 13 177.5240 . . 1 . . . A 5 ASP C . 18692 1 55 . 1 1 5 5 ASP CA C 13 53.3440 . . 1 . . . A 5 ASP CA . 18692 1 56 . 1 1 5 5 ASP CB C 13 41.0430 . . 1 . . . A 5 ASP CB . 18692 1 57 . 1 1 5 5 ASP N N 15 123.3310 . . 1 . . . A 5 ASP N . 18692 1 58 . 1 1 6 6 LEU H H 1 8.3050 . . 1 . . . A 6 LEU H . 18692 1 59 . 1 1 6 6 LEU HA H 1 4.3040 . . 1 . . . A 6 LEU HA . 18692 1 60 . 1 1 6 6 LEU HB2 H 1 1.4870 . . 1 . . . A 6 LEU HB2 . 18692 1 61 . 1 1 6 6 LEU HB3 H 1 1.5550 . . 1 . . . A 6 LEU HB3 . 18692 1 62 . 1 1 6 6 LEU HG H 1 1.5610 . . 1 . . . A 6 LEU HG . 18692 1 63 . 1 1 6 6 LEU HD11 H 1 0.8680 . . 1 . . . A 6 LEU HD11 . 18692 1 64 . 1 1 6 6 LEU HD12 H 1 0.8680 . . 1 . . . A 6 LEU HD12 . 18692 1 65 . 1 1 6 6 LEU HD13 H 1 0.8680 . . 1 . . . A 6 LEU HD13 . 18692 1 66 . 1 1 6 6 LEU HD21 H 1 0.8680 . . 1 . . . A 6 LEU HD21 . 18692 1 67 . 1 1 6 6 LEU HD22 H 1 0.8680 . . 1 . . . A 6 LEU HD22 . 18692 1 68 . 1 1 6 6 LEU HD23 H 1 0.8680 . . 1 . . . A 6 LEU HD23 . 18692 1 69 . 1 1 6 6 LEU CA C 13 55.2600 . . 1 . . . A 6 LEU CA . 18692 1 70 . 1 1 6 6 LEU CB C 13 42.6800 . . 1 . . . A 6 LEU CB . 18692 1 71 . 1 1 6 6 LEU CG C 13 26.9300 . . 1 . . . A 6 LEU CG . 18692 1 72 . 1 1 6 6 LEU CD1 C 13 24.7800 . . 1 . . . A 6 LEU CD1 . 18692 1 73 . 1 1 6 6 LEU CD2 C 13 23.6600 . . 1 . . . A 6 LEU CD2 . 18692 1 74 . 1 1 6 6 LEU N N 15 122.5400 . . 1 . . . A 6 LEU N . 18692 1 75 . 1 1 7 7 ARG H H 1 8.2930 . . 1 . . . A 7 ARG H . 18692 1 76 . 1 1 7 7 ARG HA H 1 4.1560 . . 1 . . . A 7 ARG HA . 18692 1 77 . 1 1 7 7 ARG HB2 H 1 1.7700 . . 2 . . . A 7 ARG HB2 . 18692 1 78 . 1 1 7 7 ARG HB3 H 1 1.7800 . . 2 . . . A 7 ARG HB3 . 18692 1 79 . 1 1 7 7 ARG HG2 H 1 1.6400 . . 2 . . . A 7 ARG HG2 . 18692 1 80 . 1 1 7 7 ARG HG3 H 1 1.6600 . . 2 . . . A 7 ARG HG3 . 18692 1 81 . 1 1 7 7 ARG HD2 H 1 3.0024 . . 2 . . . A 7 ARG HD2 . 18692 1 82 . 1 1 7 7 ARG HD3 H 1 3.2234 . . 2 . . . A 7 ARG HD3 . 18692 1 83 . 1 1 7 7 ARG C C 13 177.6640 . . 1 . . . A 7 ARG C . 18692 1 84 . 1 1 7 7 ARG CA C 13 56.4631 . . 1 . . . A 7 ARG CA . 18692 1 85 . 1 1 7 7 ARG CB C 13 29.3150 . . 1 . . . A 7 ARG CB . 18692 1 86 . 1 1 7 7 ARG CG C 13 28.6600 . . 1 . . . A 7 ARG CG . 18692 1 87 . 1 1 7 7 ARG CD C 13 45.1130 . . 1 . . . A 7 ARG CD . 18692 1 88 . 1 1 7 7 ARG N N 15 121.7150 . . 1 . . . A 7 ARG N . 18692 1 89 . 1 1 8 8 PRO HA H 1 4.3650 . . 1 . . . A 8 PRO HA . 18692 1 90 . 1 1 8 8 PRO HB2 H 1 2.4380 . . 1 . . . A 8 PRO HB2 . 18692 1 91 . 1 1 8 8 PRO HB3 H 1 1.7010 . . 1 . . . A 8 PRO HB3 . 18692 1 92 . 1 1 8 8 PRO HG2 H 1 1.9400 . . 1 . . . A 8 PRO HG2 . 18692 1 93 . 1 1 8 8 PRO HG3 H 1 2.0400 . . 1 . . . A 8 PRO HG3 . 18692 1 94 . 1 1 8 8 PRO HD2 H 1 3.5564 . . 2 . . . A 8 PRO HD2 . 18692 1 95 . 1 1 8 8 PRO C C 13 178.8860 . . 1 . . . A 8 PRO C . 18692 1 96 . 1 1 8 8 PRO CA C 13 65.1930 . . 1 . . . A 8 PRO CA . 18692 1 97 . 1 1 8 8 PRO CB C 13 31.5660 . . 1 . . . A 8 PRO CB . 18692 1 98 . 1 1 8 8 PRO CG C 13 28.1650 . . 1 . . . A 8 PRO CG . 18692 1 99 . 1 1 8 8 PRO CD C 13 51.0610 . . 1 . . . A 8 PRO CD . 18692 1 100 . 1 1 9 9 LEU H H 1 7.3100 . . 1 . . . A 9 LEU H . 18692 1 101 . 1 1 9 9 LEU HA H 1 4.1750 . . 1 . . . A 9 LEU HA . 18692 1 102 . 1 1 9 9 LEU HB2 H 1 1.7540 . . 1 . . . A 9 LEU HB2 . 18692 1 103 . 1 1 9 9 LEU HB3 H 1 1.6020 . . 1 . . . A 9 LEU HB3 . 18692 1 104 . 1 1 9 9 LEU HG H 1 1.4370 . . 1 . . . A 9 LEU HG . 18692 1 105 . 1 1 9 9 LEU HD11 H 1 1.0200 . . 1 . . . A 9 LEU HD11 . 18692 1 106 . 1 1 9 9 LEU HD12 H 1 1.0200 . . 1 . . . A 9 LEU HD12 . 18692 1 107 . 1 1 9 9 LEU HD13 H 1 1.0200 . . 1 . . . A 9 LEU HD13 . 18692 1 108 . 1 1 9 9 LEU HD21 H 1 0.9000 . . 1 . . . A 9 LEU HD21 . 18692 1 109 . 1 1 9 9 LEU HD22 H 1 0.9000 . . 1 . . . A 9 LEU HD22 . 18692 1 110 . 1 1 9 9 LEU HD23 H 1 0.9000 . . 1 . . . A 9 LEU HD23 . 18692 1 111 . 1 1 9 9 LEU C C 13 178.8970 . . 1 . . . A 9 LEU C . 18692 1 112 . 1 1 9 9 LEU CA C 13 54.8780 . . 1 . . . A 9 LEU CA . 18692 1 113 . 1 1 9 9 LEU CB C 13 41.2220 . . 1 . . . A 9 LEU CB . 18692 1 114 . 1 1 9 9 LEU CG C 13 26.9210 . . 1 . . . A 9 LEU CG . 18692 1 115 . 1 1 9 9 LEU CD1 C 13 23.1560 . . 1 . . . A 9 LEU CD1 . 18692 1 116 . 1 1 9 9 LEU CD2 C 13 23.1560 . . 1 . . . A 9 LEU CD2 . 18692 1 117 . 1 1 9 9 LEU N N 15 114.1070 . . 1 . . . A 9 LEU N . 18692 1 118 . 1 1 10 10 LYS H H 1 8.1320 . . 1 . . . A 10 LYS H . 18692 1 119 . 1 1 10 10 LYS HA H 1 3.8230 . . 1 . . . A 10 LYS HA . 18692 1 120 . 1 1 10 10 LYS HB2 H 1 1.6500 . . 1 . . . A 10 LYS HB2 . 18692 1 121 . 1 1 10 10 LYS HB3 H 1 1.8000 . . 1 . . . A 10 LYS HB3 . 18692 1 122 . 1 1 10 10 LYS HG2 H 1 0.3900 . . 1 . . . A 10 LYS HG2 . 18692 1 123 . 1 1 10 10 LYS HG3 H 1 0.6000 . . 1 . . . A 10 LYS HG3 . 18692 1 124 . 1 1 10 10 LYS HD2 H 1 1.7891 . . 2 . . . A 10 LYS HD2 . 18692 1 125 . 1 1 10 10 LYS C C 13 178.8050 . . 1 . . . A 10 LYS C . 18692 1 126 . 1 1 10 10 LYS CA C 13 57.6930 . . 1 . . . A 10 LYS CA . 18692 1 127 . 1 1 10 10 LYS CB C 13 34.1245 . . 1 . . . A 10 LYS CB . 18692 1 128 . 1 1 10 10 LYS CG C 13 23.8971 . . 1 . . . A 10 LYS CG . 18692 1 129 . 1 1 10 10 LYS CD C 13 27.1145 . . 1 . . . A 10 LYS CD . 18692 1 130 . 1 1 10 10 LYS N N 15 116.5630 . . 1 . . . A 10 LYS N . 18692 1 131 . 1 1 11 11 ALA H H 1 8.2390 . . 1 . . . A 11 ALA H . 18692 1 132 . 1 1 11 11 ALA HA H 1 4.3990 . . 1 . . . A 11 ALA HA . 18692 1 133 . 1 1 11 11 ALA HB1 H 1 1.4810 . . 1 . . . A 11 ALA HB1 . 18692 1 134 . 1 1 11 11 ALA HB2 H 1 1.4810 . . 1 . . . A 11 ALA HB2 . 18692 1 135 . 1 1 11 11 ALA HB3 H 1 1.4810 . . 1 . . . A 11 ALA HB3 . 18692 1 136 . 1 1 11 11 ALA C C 13 178.8770 . . 1 . . . A 11 ALA C . 18692 1 137 . 1 1 11 11 ALA CA C 13 53.2920 . . 1 . . . A 11 ALA CA . 18692 1 138 . 1 1 11 11 ALA CB C 13 19.3100 . . 1 . . . A 11 ALA CB . 18692 1 139 . 1 1 11 11 ALA N N 15 124.1340 . . 1 . . . A 11 ALA N . 18692 1 140 . 1 1 12 12 GLY H H 1 8.1860 . . 1 . . . A 12 GLY H . 18692 1 141 . 1 1 12 12 GLY HA2 H 1 3.5820 . . 1 . . . A 12 GLY HA2 . 18692 1 142 . 1 1 12 12 GLY HA3 H 1 4.5450 . . 1 . . . A 12 GLY HA3 . 18692 1 143 . 1 1 12 12 GLY C C 13 178.6140 . . 1 . . . A 12 GLY C . 18692 1 144 . 1 1 12 12 GLY CA C 13 47.6400 . . 1 . . . A 12 GLY CA . 18692 1 145 . 1 1 12 12 GLY N N 15 108.6610 . . 1 . . . A 12 GLY N . 18692 1 146 . 1 1 13 13 ILE H H 1 8.3090 . . 1 . . . A 13 ILE H . 18692 1 147 . 1 1 13 13 ILE HA H 1 4.1500 . . 1 . . . A 13 ILE HA . 18692 1 148 . 1 1 13 13 ILE HB H 1 2.3000 . . 1 . . . A 13 ILE HB . 18692 1 149 . 1 1 13 13 ILE HG12 H 1 1.9560 . . 1 . . . A 13 ILE HG12 . 18692 1 150 . 1 1 13 13 ILE HG13 H 1 2.0170 . . 1 . . . A 13 ILE HG13 . 18692 1 151 . 1 1 13 13 ILE HG21 H 1 0.6870 . . 1 . . . A 13 ILE HG21 . 18692 1 152 . 1 1 13 13 ILE HG22 H 1 0.6870 . . 1 . . . A 13 ILE HG22 . 18692 1 153 . 1 1 13 13 ILE HG23 H 1 0.6870 . . 1 . . . A 13 ILE HG23 . 18692 1 154 . 1 1 13 13 ILE HD11 H 1 0.4420 . . 1 . . . A 13 ILE HD11 . 18692 1 155 . 1 1 13 13 ILE HD12 H 1 0.4420 . . 1 . . . A 13 ILE HD12 . 18692 1 156 . 1 1 13 13 ILE HD13 H 1 0.4420 . . 1 . . . A 13 ILE HD13 . 18692 1 157 . 1 1 13 13 ILE C C 13 177.2345 . . 1 . . . A 13 ILE C . 18692 1 158 . 1 1 13 13 ILE CA C 13 60.5000 . . 1 . . . A 13 ILE CA . 18692 1 159 . 1 1 13 13 ILE CB C 13 36.9700 . . 1 . . . A 13 ILE CB . 18692 1 160 . 1 1 13 13 ILE CG1 C 13 27.9800 . . 1 . . . A 13 ILE CG1 . 18692 1 161 . 1 1 13 13 ILE CD1 C 13 12.6880 . . 1 . . . A 13 ILE CD1 . 18692 1 162 . 1 1 13 13 ILE N N 15 123.4648 . . 1 . . . A 13 ILE N . 18692 1 163 . 1 1 14 14 PHE H H 1 7.8010 . . 1 . . . A 14 PHE H . 18692 1 164 . 1 1 14 14 PHE HA H 1 3.3540 . . 1 . . . A 14 PHE HA . 18692 1 165 . 1 1 14 14 PHE HB2 H 1 2.3650 . . 1 . . . A 14 PHE HB2 . 18692 1 166 . 1 1 14 14 PHE HB3 H 1 2.6520 . . 1 . . . A 14 PHE HB3 . 18692 1 167 . 1 1 14 14 PHE HD1 H 1 6.5270 . . 1 . . . A 14 PHE HD1 . 18692 1 168 . 1 1 14 14 PHE HE1 H 1 7.1250 . . 3 . . . A 14 PHE HE1 . 18692 1 169 . 1 1 14 14 PHE C C 13 179.3010 . . 1 . . . A 14 PHE C . 18692 1 170 . 1 1 14 14 PHE CA C 13 63.8830 . . 1 . . . A 14 PHE CA . 18692 1 171 . 1 1 14 14 PHE CB C 13 37.6080 . . 1 . . . A 14 PHE CB . 18692 1 172 . 1 1 14 14 PHE N N 15 119.5600 . . 1 . . . A 14 PHE N . 18692 1 173 . 1 1 15 15 GLU H H 1 8.3310 . . 1 . . . A 15 GLU H . 18692 1 174 . 1 1 15 15 GLU HA H 1 4.2600 . . 1 . . . A 15 GLU HA . 18692 1 175 . 1 1 15 15 GLU HB2 H 1 1.9000 . . 1 . . . A 15 GLU HB2 . 18692 1 176 . 1 1 15 15 GLU HB3 H 1 2.0690 . . 1 . . . A 15 GLU HB3 . 18692 1 177 . 1 1 15 15 GLU HG2 H 1 2.1890 . . 2 . . . A 15 GLU HG2 . 18692 1 178 . 1 1 15 15 GLU HG3 H 1 2.3640 . . 2 . . . A 15 GLU HG3 . 18692 1 179 . 1 1 15 15 GLU C C 13 181.4280 . . 1 . . . A 15 GLU C . 18692 1 180 . 1 1 15 15 GLU CA C 13 60.5790 . . 1 . . . A 15 GLU CA . 18692 1 181 . 1 1 15 15 GLU CB C 13 28.1580 . . 1 . . . A 15 GLU CB . 18692 1 182 . 1 1 15 15 GLU CG C 13 35.1100 . . 1 . . . A 15 GLU CG . 18692 1 183 . 1 1 15 15 GLU N N 15 121.5670 . . 1 . . . A 15 GLU N . 18692 1 184 . 1 1 16 16 ARG H H 1 8.2400 . . 1 . . . A 16 ARG H . 18692 1 185 . 1 1 16 16 ARG HA H 1 4.1040 . . 1 . . . A 16 ARG HA . 18692 1 186 . 1 1 16 16 ARG HB2 H 1 1.6900 . . 1 . . . A 16 ARG HB2 . 18692 1 187 . 1 1 16 16 ARG HB3 H 1 1.7770 . . 1 . . . A 16 ARG HB3 . 18692 1 188 . 1 1 16 16 ARG HG2 H 1 1.5400 . . 1 . . . A 16 ARG HG2 . 18692 1 189 . 1 1 16 16 ARG HG3 H 1 1.5400 . . 1 . . . A 16 ARG HG3 . 18692 1 190 . 1 1 16 16 ARG HD2 H 1 3.0800 . . 1 . . . A 16 ARG HD2 . 18692 1 191 . 1 1 16 16 ARG HD3 H 1 3.4500 . . 1 . . . A 16 ARG HD3 . 18692 1 192 . 1 1 16 16 ARG HE H 1 7.2610 . . 1 . . . A 16 ARG HE . 18692 1 193 . 1 1 16 16 ARG C C 13 179.4180 . . 1 . . . A 16 ARG C . 18692 1 194 . 1 1 16 16 ARG CA C 13 56.8770 . . 1 . . . A 16 ARG CA . 18692 1 195 . 1 1 16 16 ARG CB C 13 29.3970 . . 1 . . . A 16 ARG CB . 18692 1 196 . 1 1 16 16 ARG CG C 13 26.2500 . . 1 . . . A 16 ARG CG . 18692 1 197 . 1 1 16 16 ARG CD C 13 42.3690 . . 1 . . . A 16 ARG CD . 18692 1 198 . 1 1 16 16 ARG N N 15 121.6020 . . 1 . . . A 16 ARG N . 18692 1 199 . 1 1 17 17 LEU H H 1 8.1340 . . 1 . . . A 17 LEU H . 18692 1 200 . 1 1 17 17 LEU HA H 1 3.6190 . . 1 . . . A 17 LEU HA . 18692 1 201 . 1 1 17 17 LEU HB2 H 1 1.1450 . . 1 . . . A 17 LEU HB2 . 18692 1 202 . 1 1 17 17 LEU HB3 H 1 1.4620 . . 1 . . . A 17 LEU HB3 . 18692 1 203 . 1 1 17 17 LEU HG H 1 1.4300 . . 1 . . . A 17 LEU HG . 18692 1 204 . 1 1 17 17 LEU HD11 H 1 0.3100 . . 1 . . . A 17 LEU HD11 . 18692 1 205 . 1 1 17 17 LEU HD12 H 1 0.3100 . . 1 . . . A 17 LEU HD12 . 18692 1 206 . 1 1 17 17 LEU HD13 H 1 0.3100 . . 1 . . . A 17 LEU HD13 . 18692 1 207 . 1 1 17 17 LEU HD21 H 1 0.0100 . . 1 . . . A 17 LEU HD21 . 18692 1 208 . 1 1 17 17 LEU HD22 H 1 0.0100 . . 1 . . . A 17 LEU HD22 . 18692 1 209 . 1 1 17 17 LEU HD23 H 1 0.0100 . . 1 . . . A 17 LEU HD23 . 18692 1 210 . 1 1 17 17 LEU C C 13 179.1360 . . 1 . . . A 17 LEU C . 18692 1 211 . 1 1 17 17 LEU CA C 13 59.1040 . . 1 . . . A 17 LEU CA . 18692 1 212 . 1 1 17 17 LEU CB C 13 42.7700 . . 1 . . . A 17 LEU CB . 18692 1 213 . 1 1 17 17 LEU CG C 13 25.4400 . . 1 . . . A 17 LEU CG . 18692 1 214 . 1 1 17 17 LEU CD1 C 13 18.0000 . . 1 . . . A 17 LEU CD1 . 18692 1 215 . 1 1 17 17 LEU CD2 C 13 14.8000 . . 1 . . . A 17 LEU CD2 . 18692 1 216 . 1 1 17 17 LEU N N 15 119.7690 . . 1 . . . A 17 LEU N . 18692 1 217 . 1 1 18 18 GLU H H 1 7.6740 . . 1 . . . A 18 GLU H . 18692 1 218 . 1 1 18 18 GLU HA H 1 3.8890 . . 1 . . . A 18 GLU HA . 18692 1 219 . 1 1 18 18 GLU HB2 H 1 2.2800 . . 1 . . . A 18 GLU HB2 . 18692 1 220 . 1 1 18 18 GLU HB3 H 1 2.2700 . . 1 . . . A 18 GLU HB3 . 18692 1 221 . 1 1 18 18 GLU HG2 H 1 2.4000 . . 1 . . . A 18 GLU HG2 . 18692 1 222 . 1 1 18 18 GLU HG3 H 1 2.4000 . . 1 . . . A 18 GLU HG3 . 18692 1 223 . 1 1 18 18 GLU C C 13 179.6430 . . 1 . . . A 18 GLU C . 18692 1 224 . 1 1 18 18 GLU CA C 13 59.9290 . . 1 . . . A 18 GLU CA . 18692 1 225 . 1 1 18 18 GLU CB C 13 29.1700 . . 1 . . . A 18 GLU CB . 18692 1 226 . 1 1 18 18 GLU CG C 13 35.5820 . . 1 . . . A 18 GLU CG . 18692 1 227 . 1 1 18 18 GLU N N 15 115.5470 . . 1 . . . A 18 GLU N . 18692 1 228 . 1 1 19 19 GLU H H 1 7.7820 . . 1 . . . A 19 GLU H . 18692 1 229 . 1 1 19 19 GLU HA H 1 4.0470 . . 1 . . . A 19 GLU HA . 18692 1 230 . 1 1 19 19 GLU HB2 H 1 2.1600 . . 1 . . . A 19 GLU HB2 . 18692 1 231 . 1 1 19 19 GLU HB3 H 1 2.1320 . . 1 . . . A 19 GLU HB3 . 18692 1 232 . 1 1 19 19 GLU HG2 H 1 2.3800 . . 1 . . . A 19 GLU HG2 . 18692 1 233 . 1 1 19 19 GLU HG3 H 1 2.3800 . . 1 . . . A 19 GLU HG3 . 18692 1 234 . 1 1 19 19 GLU C C 13 180.3740 . . 1 . . . A 19 GLU C . 18692 1 235 . 1 1 19 19 GLU CA C 13 59.4410 . . 1 . . . A 19 GLU CA . 18692 1 236 . 1 1 19 19 GLU CB C 13 30.2690 . . 1 . . . A 19 GLU CB . 18692 1 237 . 1 1 19 19 GLU CG C 13 36.2010 . . 1 . . . A 19 GLU CG . 18692 1 238 . 1 1 19 19 GLU N N 15 119.2110 . . 1 . . . A 19 GLU N . 18692 1 239 . 1 1 20 20 LEU H H 1 8.5070 . . 1 . . . A 20 LEU H . 18692 1 240 . 1 1 20 20 LEU HA H 1 3.7610 . . 1 . . . A 20 LEU HA . 18692 1 241 . 1 1 20 20 LEU HB2 H 1 1.6200 . . 1 . . . A 20 LEU HB2 . 18692 1 242 . 1 1 20 20 LEU HB3 H 1 1.7800 . . 1 . . . A 20 LEU HB3 . 18692 1 243 . 1 1 20 20 LEU HG H 1 1.5310 . . 1 . . . A 20 LEU HG . 18692 1 244 . 1 1 20 20 LEU HD11 H 1 0.5350 . . 1 . . . A 20 LEU HD11 . 18692 1 245 . 1 1 20 20 LEU HD12 H 1 0.5350 . . 1 . . . A 20 LEU HD12 . 18692 1 246 . 1 1 20 20 LEU HD13 H 1 0.5350 . . 1 . . . A 20 LEU HD13 . 18692 1 247 . 1 1 20 20 LEU HD21 H 1 0.3900 . . 1 . . . A 20 LEU HD21 . 18692 1 248 . 1 1 20 20 LEU HD22 H 1 0.3900 . . 1 . . . A 20 LEU HD22 . 18692 1 249 . 1 1 20 20 LEU HD23 H 1 0.3900 . . 1 . . . A 20 LEU HD23 . 18692 1 250 . 1 1 20 20 LEU C C 13 181.6660 . . 1 . . . A 20 LEU C . 18692 1 251 . 1 1 20 20 LEU CA C 13 57.8620 . . 1 . . . A 20 LEU CA . 18692 1 252 . 1 1 20 20 LEU CB C 13 42.1110 . . 1 . . . A 20 LEU CB . 18692 1 253 . 1 1 20 20 LEU CG C 13 26.6510 . . 1 . . . A 20 LEU CG . 18692 1 254 . 1 1 20 20 LEU CD1 C 13 22.0010 . . 1 . . . A 20 LEU CD1 . 18692 1 255 . 1 1 20 20 LEU CD2 C 13 22.0010 . . 1 . . . A 20 LEU CD2 . 18692 1 256 . 1 1 20 20 LEU N N 15 119.2640 . . 1 . . . A 20 LEU N . 18692 1 257 . 1 1 21 21 ILE H H 1 7.7500 . . 1 . . . A 21 ILE H . 18692 1 258 . 1 1 21 21 ILE HA H 1 3.6970 . . 1 . . . A 21 ILE HA . 18692 1 259 . 1 1 21 21 ILE HB H 1 1.6170 . . 1 . . . A 21 ILE HB . 18692 1 260 . 1 1 21 21 ILE HG12 H 1 1.8300 . . 1 . . . A 21 ILE HG12 . 18692 1 261 . 1 1 21 21 ILE HG13 H 1 1.8300 . . 1 . . . A 21 ILE HG13 . 18692 1 262 . 1 1 21 21 ILE HG21 H 1 0.8730 . . 1 . . . A 21 ILE HG21 . 18692 1 263 . 1 1 21 21 ILE HG22 H 1 0.8730 . . 1 . . . A 21 ILE HG22 . 18692 1 264 . 1 1 21 21 ILE HG23 H 1 0.8730 . . 1 . . . A 21 ILE HG23 . 18692 1 265 . 1 1 21 21 ILE HD11 H 1 0.4140 . . 1 . . . A 21 ILE HD11 . 18692 1 266 . 1 1 21 21 ILE HD12 H 1 0.4140 . . 1 . . . A 21 ILE HD12 . 18692 1 267 . 1 1 21 21 ILE HD13 H 1 0.4140 . . 1 . . . A 21 ILE HD13 . 18692 1 268 . 1 1 21 21 ILE C C 13 181.6960 . . 1 . . . A 21 ILE C . 18692 1 269 . 1 1 21 21 ILE CA C 13 65.1740 . . 1 . . . A 21 ILE CA . 18692 1 270 . 1 1 21 21 ILE CB C 13 38.4200 . . 1 . . . A 21 ILE CB . 18692 1 271 . 1 1 21 21 ILE CG1 C 13 27.6600 . . 1 . . . A 21 ILE CG1 . 18692 1 272 . 1 1 21 21 ILE CD1 C 13 13.9900 . . 1 . . . A 21 ILE CD1 . 18692 1 273 . 1 1 21 21 ILE N N 15 117.8790 . . 1 . . . A 21 ILE N . 18692 1 274 . 1 1 22 22 GLU H H 1 8.2030 . . 1 . . . A 22 GLU H . 18692 1 275 . 1 1 22 22 GLU HA H 1 3.8910 . . 1 . . . A 22 GLU HA . 18692 1 276 . 1 1 22 22 GLU HB2 H 1 2.1740 . . 1 . . . A 22 GLU HB2 . 18692 1 277 . 1 1 22 22 GLU HB3 H 1 2.1740 . . 1 . . . A 22 GLU HB3 . 18692 1 278 . 1 1 22 22 GLU HG2 H 1 2.4000 . . 1 . . . A 22 GLU HG2 . 18692 1 279 . 1 1 22 22 GLU HG3 H 1 2.4000 . . 1 . . . A 22 GLU HG3 . 18692 1 280 . 1 1 22 22 GLU C C 13 180.4240 . . 1 . . . A 22 GLU C . 18692 1 281 . 1 1 22 22 GLU CA C 13 59.8640 . . 1 . . . A 22 GLU CA . 18692 1 282 . 1 1 22 22 GLU CB C 13 30.0470 . . 1 . . . A 22 GLU CB . 18692 1 283 . 1 1 22 22 GLU CG C 13 36.0530 . . 1 . . . A 22 GLU CG . 18692 1 284 . 1 1 22 22 GLU N N 15 116.6560 . . 1 . . . A 22 GLU N . 18692 1 285 . 1 1 23 23 LYS H H 1 8.7130 . . 1 . . . A 23 LYS H . 18692 1 286 . 1 1 23 23 LYS HA H 1 4.3920 . . 1 . . . A 23 LYS HA . 18692 1 287 . 1 1 23 23 LYS HB2 H 1 1.9600 . . 1 . . . A 23 LYS HB2 . 18692 1 288 . 1 1 23 23 LYS HB3 H 1 1.9290 . . 1 . . . A 23 LYS HB3 . 18692 1 289 . 1 1 23 23 LYS HG2 H 1 1.4900 . . 1 . . . A 23 LYS HG2 . 18692 1 290 . 1 1 23 23 LYS HG3 H 1 1.4900 . . 1 . . . A 23 LYS HG3 . 18692 1 291 . 1 1 23 23 LYS HD2 H 1 1.6900 . . 1 . . . A 23 LYS HD2 . 18692 1 292 . 1 1 23 23 LYS HD3 H 1 1.6900 . . 1 . . . A 23 LYS HD3 . 18692 1 293 . 1 1 23 23 LYS HE2 H 1 3.0300 . . 1 . . . A 23 LYS HE2 . 18692 1 294 . 1 1 23 23 LYS HE3 H 1 3.0300 . . 1 . . . A 23 LYS HE3 . 18692 1 295 . 1 1 23 23 LYS C C 13 180.6390 . . 1 . . . A 23 LYS C . 18692 1 296 . 1 1 23 23 LYS CA C 13 57.9520 . . 1 . . . A 23 LYS CA . 18692 1 297 . 1 1 23 23 LYS CB C 13 34.6550 . . 1 . . . A 23 LYS CB . 18692 1 298 . 1 1 23 23 LYS CG C 13 25.8610 . . 1 . . . A 23 LYS CG . 18692 1 299 . 1 1 23 23 LYS CD C 13 29.1100 . . 1 . . . A 23 LYS CD . 18692 1 300 . 1 1 23 23 LYS CE C 13 42.2170 . . 1 . . . A 23 LYS CE . 18692 1 301 . 1 1 23 23 LYS N N 15 113.4260 . . 1 . . . A 23 LYS N . 18692 1 302 . 1 1 24 24 GLU H H 1 8.2250 . . 1 . . . A 24 GLU H . 18692 1 303 . 1 1 24 24 GLU HA H 1 4.7300 . . 1 . . . A 24 GLU HA . 18692 1 304 . 1 1 24 24 GLU HB2 H 1 1.9760 . . 1 . . . A 24 GLU HB2 . 18692 1 305 . 1 1 24 24 GLU HB3 H 1 2.6330 . . 1 . . . A 24 GLU HB3 . 18692 1 306 . 1 1 24 24 GLU HG2 H 1 2.3300 . . 2 . . . A 24 GLU HG2 . 18692 1 307 . 1 1 24 24 GLU HG3 H 1 2.1200 . . 2 . . . A 24 GLU HG3 . 18692 1 308 . 1 1 24 24 GLU C C 13 177.4070 . . 1 . . . A 24 GLU C . 18692 1 309 . 1 1 24 24 GLU CA C 13 56.2410 . . 1 . . . A 24 GLU CA . 18692 1 310 . 1 1 24 24 GLU CB C 13 30.6640 . . 1 . . . A 24 GLU CB . 18692 1 311 . 1 1 24 24 GLU CG C 13 36.3200 . . 1 . . . A 24 GLU CG . 18692 1 312 . 1 1 24 24 GLU N N 15 115.9430 . . 1 . . . A 24 GLU N . 18692 1 313 . 1 1 25 25 MET H H 1 6.8600 . . 1 . . . A 25 MET H . 18692 1 314 . 1 1 25 25 MET HA H 1 4.8320 . . 1 . . . A 25 MET HA . 18692 1 315 . 1 1 25 25 MET HB2 H 1 2.0670 . . 1 . . . A 25 MET HB2 . 18692 1 316 . 1 1 25 25 MET HB3 H 1 2.3540 . . 1 . . . A 25 MET HB3 . 18692 1 317 . 1 1 25 25 MET HG2 H 1 2.4300 . . 2 . . . A 25 MET HG2 . 18692 1 318 . 1 1 25 25 MET HG3 H 1 2.4300 . . 2 . . . A 25 MET HG3 . 18692 1 319 . 1 1 25 25 MET C C 13 177.2860 . . 1 . . . A 25 MET C . 18692 1 320 . 1 1 25 25 MET CA C 13 55.0220 . . 1 . . . A 25 MET CA . 18692 1 321 . 1 1 25 25 MET CB C 13 37.4160 . . 1 . . . A 25 MET CB . 18692 1 322 . 1 1 25 25 MET CG C 13 32.6310 . . 1 . . . A 25 MET CG . 18692 1 323 . 1 1 25 25 MET CE C 13 17.2400 . . 1 . . . A 25 MET CE . 18692 1 324 . 1 1 25 25 MET N N 15 115.0750 . . 1 . . . A 25 MET N . 18692 1 325 . 1 1 26 26 GLN H H 1 9.2640 . . 1 . . . A 26 GLN H . 18692 1 326 . 1 1 26 26 GLN HA H 1 4.3450 . . 1 . . . A 26 GLN HA . 18692 1 327 . 1 1 26 26 GLN HB2 H 1 1.8720 . . 2 . . . A 26 GLN HB2 . 18692 1 328 . 1 1 26 26 GLN HB3 H 1 1.9900 . . 2 . . . A 26 GLN HB3 . 18692 1 329 . 1 1 26 26 GLN HG2 H 1 2.3230 . . 2 . . . A 26 GLN HG2 . 18692 1 330 . 1 1 26 26 GLN HG3 H 1 2.3230 . . 2 . . . A 26 GLN HG3 . 18692 1 331 . 1 1 26 26 GLN C C 13 175.7180 . . 1 . . . A 26 GLN C . 18692 1 332 . 1 1 26 26 GLN CA C 13 52.9090 . . 1 . . . A 26 GLN CA . 18692 1 333 . 1 1 26 26 GLN CB C 13 28.4170 . . 1 . . . A 26 GLN CB . 18692 1 334 . 1 1 26 26 GLN CG C 13 33.1450 . . 1 . . . A 26 GLN CG . 18692 1 335 . 1 1 26 26 GLN N N 15 122.8010 . . 1 . . . A 26 GLN N . 18692 1 336 . 1 1 27 27 PRO HA H 1 3.9150 . . 1 . . . A 27 PRO HA . 18692 1 337 . 1 1 27 27 PRO HB2 H 1 2.4460 . . 1 . . . A 27 PRO HB2 . 18692 1 338 . 1 1 27 27 PRO HB3 H 1 1.9190 . . 1 . . . A 27 PRO HB3 . 18692 1 339 . 1 1 27 27 PRO HG2 H 1 1.7100 . . 1 . . . A 27 PRO HG2 . 18692 1 340 . 1 1 27 27 PRO HG3 H 1 2.2600 . . 1 . . . A 27 PRO HG3 . 18692 1 341 . 1 1 27 27 PRO HD2 H 1 3.6700 . . 1 . . . A 27 PRO HD2 . 18692 1 342 . 1 1 27 27 PRO HD3 H 1 3.6700 . . 1 . . . A 27 PRO HD3 . 18692 1 343 . 1 1 27 27 PRO C C 13 177.4500 . . 1 . . . A 27 PRO C . 18692 1 344 . 1 1 27 27 PRO CA C 13 64.9080 . . 1 . . . A 27 PRO CA . 18692 1 345 . 1 1 27 27 PRO CB C 13 31.2650 . . 1 . . . A 27 PRO CB . 18692 1 346 . 1 1 27 27 PRO CG C 13 28.4740 . . 1 . . . A 27 PRO CG . 18692 1 347 . 1 1 27 27 PRO CD C 13 49.7860 . . 1 . . . A 27 PRO CD . 18692 1 348 . 1 1 28 28 ASN H H 1 8.4580 . . 1 . . . A 28 ASN H . 18692 1 349 . 1 1 28 28 ASN HA H 1 4.4750 . . 1 . . . A 28 ASN HA . 18692 1 350 . 1 1 28 28 ASN HB2 H 1 3.0930 . . 2 . . . A 28 ASN HB2 . 18692 1 351 . 1 1 28 28 ASN HB3 H 1 3.0930 . . 1 . . . A 28 ASN HB3 . 18692 1 352 . 1 1 28 28 ASN C C 13 179.4210 . . 1 . . . A 28 ASN C . 18692 1 353 . 1 1 28 28 ASN CA C 13 55.3680 . . 1 . . . A 28 ASN CA . 18692 1 354 . 1 1 28 28 ASN CB C 13 38.9670 . . 1 . . . A 28 ASN CB . 18692 1 355 . 1 1 28 28 ASN N N 15 118.9950 . . 1 . . . A 28 ASN N . 18692 1 356 . 1 1 29 29 GLU H H 1 8.2940 . . 1 . . . A 29 GLU H . 18692 1 357 . 1 1 29 29 GLU HA H 1 4.2910 . . 1 . . . A 29 GLU HA . 18692 1 358 . 1 1 29 29 GLU HB2 H 1 2.0900 . . 1 . . . A 29 GLU HB2 . 18692 1 359 . 1 1 29 29 GLU HB3 H 1 2.2700 . . 1 . . . A 29 GLU HB3 . 18692 1 360 . 1 1 29 29 GLU HG2 H 1 2.5200 . . 1 . . . A 29 GLU HG2 . 18692 1 361 . 1 1 29 29 GLU HG3 H 1 2.5200 . . 1 . . . A 29 GLU HG3 . 18692 1 362 . 1 1 29 29 GLU C C 13 175.8830 . . 1 . . . A 29 GLU C . 18692 1 363 . 1 1 29 29 GLU CA C 13 56.8760 . . 1 . . . A 29 GLU CA . 18692 1 364 . 1 1 29 29 GLU CB C 13 31.8630 . . 1 . . . A 29 GLU CB . 18692 1 365 . 1 1 29 29 GLU CG C 13 37.0190 . . 1 . . . A 29 GLU CG . 18692 1 366 . 1 1 29 29 GLU N N 15 123.1280 . . 1 . . . A 29 GLU N . 18692 1 367 . 1 1 30 30 VAL H H 1 8.0670 . . 1 . . . A 30 VAL H . 18692 1 368 . 1 1 30 30 VAL HA H 1 5.2930 . . 1 . . . A 30 VAL HA . 18692 1 369 . 1 1 30 30 VAL HB H 1 1.8900 . . 1 . . . A 30 VAL HB . 18692 1 370 . 1 1 30 30 VAL HG11 H 1 0.9040 . . 1 . . . A 30 VAL HG11 . 18692 1 371 . 1 1 30 30 VAL HG12 H 1 0.9040 . . 1 . . . A 30 VAL HG12 . 18692 1 372 . 1 1 30 30 VAL HG13 H 1 0.9040 . . 1 . . . A 30 VAL HG13 . 18692 1 373 . 1 1 30 30 VAL HG21 H 1 0.9040 . . 1 . . . A 30 VAL HG21 . 18692 1 374 . 1 1 30 30 VAL HG22 H 1 0.9040 . . 1 . . . A 30 VAL HG22 . 18692 1 375 . 1 1 30 30 VAL HG23 H 1 0.9040 . . 1 . . . A 30 VAL HG23 . 18692 1 376 . 1 1 30 30 VAL C C 13 177.2010 . . 1 . . . A 30 VAL C . 18692 1 377 . 1 1 30 30 VAL CA C 13 60.5620 . . 1 . . . A 30 VAL CA . 18692 1 378 . 1 1 30 30 VAL CB C 13 33.4190 . . 1 . . . A 30 VAL CB . 18692 1 379 . 1 1 30 30 VAL CG1 C 13 22.3200 . . 1 . . . A 30 VAL CG1 . 18692 1 380 . 1 1 30 30 VAL CG2 C 13 22.3200 . . 1 . . . A 30 VAL CG2 . 18692 1 381 . 1 1 30 30 VAL N N 15 123.6350 . . 1 . . . A 30 VAL N . 18692 1 382 . 1 1 31 31 ALA H H 1 9.0860 . . 1 . . . A 31 ALA H . 18692 1 383 . 1 1 31 31 ALA HA H 1 4.9190 . . 1 . . . A 31 ALA HA . 18692 1 384 . 1 1 31 31 ALA HB1 H 1 1.3060 . . 1 . . . A 31 ALA HB1 . 18692 1 385 . 1 1 31 31 ALA HB2 H 1 1.3060 . . 1 . . . A 31 ALA HB2 . 18692 1 386 . 1 1 31 31 ALA HB3 H 1 1.3060 . . 1 . . . A 31 ALA HB3 . 18692 1 387 . 1 1 31 31 ALA C C 13 176.1790 . . 1 . . . A 31 ALA C . 18692 1 388 . 1 1 31 31 ALA CA C 13 51.4700 . . 1 . . . A 31 ALA CA . 18692 1 389 . 1 1 31 31 ALA CB C 13 24.7720 . . 1 . . . A 31 ALA CB . 18692 1 390 . 1 1 31 31 ALA N N 15 127.3910 . . 1 . . . A 31 ALA N . 18692 1 391 . 1 1 32 32 ILE H H 1 8.1750 . . 1 . . . A 32 ILE H . 18692 1 392 . 1 1 32 32 ILE HA H 1 5.1020 . . 1 . . . A 32 ILE HA . 18692 1 393 . 1 1 32 32 ILE HB H 1 1.5700 . . 1 . . . A 32 ILE HB . 18692 1 394 . 1 1 32 32 ILE HG12 H 1 0.9440 . . 1 . . . A 32 ILE HG12 . 18692 1 395 . 1 1 32 32 ILE HG13 H 1 0.9440 . . 1 . . . A 32 ILE HG13 . 18692 1 396 . 1 1 32 32 ILE HG21 H 1 0.7850 . . 1 . . . A 32 ILE HG21 . 18692 1 397 . 1 1 32 32 ILE HG22 H 1 0.7850 . . 1 . . . A 32 ILE HG22 . 18692 1 398 . 1 1 32 32 ILE HG23 H 1 0.7850 . . 1 . . . A 32 ILE HG23 . 18692 1 399 . 1 1 32 32 ILE C C 13 176.3000 . . 1 . . . A 32 ILE C . 18692 1 400 . 1 1 32 32 ILE CA C 13 59.6040 . . 1 . . . A 32 ILE CA . 18692 1 401 . 1 1 32 32 ILE CB C 13 41.4160 . . 1 . . . A 32 ILE CB . 18692 1 402 . 1 1 32 32 ILE CG1 C 13 28.8410 . . 1 . . . A 32 ILE CG1 . 18692 1 403 . 1 1 32 32 ILE CG2 C 13 17.3520 . . 1 . . . A 32 ILE CG2 . 18692 1 404 . 1 1 32 32 ILE CD1 C 13 14.1190 . . 1 . . . A 32 ILE CD1 . 18692 1 405 . 1 1 32 32 ILE N N 15 118.4680 . . 1 . . . A 32 ILE N . 18692 1 406 . 1 1 33 33 PHE H H 1 9.2770 . . 1 . . . A 33 PHE H . 18692 1 407 . 1 1 33 33 PHE HA H 1 5.4070 . . 1 . . . A 33 PHE HA . 18692 1 408 . 1 1 33 33 PHE HB2 H 1 2.7400 . . 1 . . . A 33 PHE HB2 . 18692 1 409 . 1 1 33 33 PHE HB3 H 1 3.1200 . . 1 . . . A 33 PHE HB3 . 18692 1 410 . 1 1 33 33 PHE HD1 H 1 7.0750 . . 3 . . . A 33 PHE HD1 . 18692 1 411 . 1 1 33 33 PHE HD2 H 1 7.0750 . . 1 . . . A 33 PHE HD2 . 18692 1 412 . 1 1 33 33 PHE HE1 H 1 7.1245 . . 3 . . . A 33 PHE HE1 . 18692 1 413 . 1 1 33 33 PHE HE2 H 1 7.1245 . . 3 . . . A 33 PHE HE2 . 18692 1 414 . 1 1 33 33 PHE C C 13 176.6950 . . 1 . . . A 33 PHE C . 18692 1 415 . 1 1 33 33 PHE CA C 13 56.6270 . . 1 . . . A 33 PHE CA . 18692 1 416 . 1 1 33 33 PHE CB C 13 41.5830 . . 1 . . . A 33 PHE CB . 18692 1 417 . 1 1 33 33 PHE N N 15 123.9260 . . 1 . . . A 33 PHE N . 18692 1 418 . 1 1 34 34 MET H H 1 8.6060 . . 1 . . . A 34 MET H . 18692 1 419 . 1 1 34 34 MET HA H 1 5.5170 . . 1 . . . A 34 MET HA . 18692 1 420 . 1 1 34 34 MET HB2 H 1 1.9300 . . 1 . . . A 34 MET HB2 . 18692 1 421 . 1 1 34 34 MET HB3 H 1 1.8960 . . 1 . . . A 34 MET HB3 . 18692 1 422 . 1 1 34 34 MET HG2 H 1 2.4560 . . 2 . . . A 34 MET HG2 . 18692 1 423 . 1 1 34 34 MET HG3 H 1 2.4315 . . 2 . . . A 34 MET HG3 . 18692 1 424 . 1 1 34 34 MET C C 13 177.1230 . . 1 . . . A 34 MET C . 18692 1 425 . 1 1 34 34 MET CA C 13 53.5150 . . 1 . . . A 34 MET CA . 18692 1 426 . 1 1 34 34 MET CB C 13 36.4470 . . 1 . . . A 34 MET CB . 18692 1 427 . 1 1 34 34 MET CG C 13 30.9610 . . 1 . . . A 34 MET CG . 18692 1 428 . 1 1 34 34 MET N N 15 120.5190 . . 1 . . . A 34 MET N . 18692 1 429 . 1 1 35 35 PHE H H 1 8.8320 . . 1 . . . A 35 PHE H . 18692 1 430 . 1 1 35 35 PHE HA H 1 4.6420 . . 1 . . . A 35 PHE HA . 18692 1 431 . 1 1 35 35 PHE HB2 H 1 2.9430 . . 1 . . . A 35 PHE HB2 . 18692 1 432 . 1 1 35 35 PHE HB3 H 1 3.5380 . . 1 . . . A 35 PHE HB3 . 18692 1 433 . 1 1 35 35 PHE HD1 H 1 7.0300 . . 3 . . . A 35 PHE HD1 . 18692 1 434 . 1 1 35 35 PHE HD2 H 1 7.0300 . . 3 . . . A 35 PHE HD2 . 18692 1 435 . 1 1 35 35 PHE HE1 H 1 7.1200 . . 3 . . . A 35 PHE HE1 . 18692 1 436 . 1 1 35 35 PHE HE2 H 1 7.1200 . . 3 . . . A 35 PHE HE2 . 18692 1 437 . 1 1 35 35 PHE C C 13 175.1880 . . 1 . . . A 35 PHE C . 18692 1 438 . 1 1 35 35 PHE CA C 13 56.1000 . . 1 . . . A 35 PHE CA . 18692 1 439 . 1 1 35 35 PHE CB C 13 41.4500 . . 1 . . . A 35 PHE CB . 18692 1 440 . 1 1 35 35 PHE N N 15 118.1190 . . 1 . . . A 35 PHE N . 18692 1 441 . 1 1 36 36 GLU H H 1 9.4210 . . 1 . . . A 36 GLU H . 18692 1 442 . 1 1 36 36 GLU HA H 1 4.8900 . . 1 . . . A 36 GLU HA . 18692 1 443 . 1 1 36 36 GLU HB2 H 1 2.0900 . . 1 . . . A 36 GLU HB2 . 18692 1 444 . 1 1 36 36 GLU HB3 H 1 2.0900 . . 1 . . . A 36 GLU HB3 . 18692 1 445 . 1 1 36 36 GLU HG2 H 1 2.4400 . . 2 . . . A 36 GLU HG2 . 18692 1 446 . 1 1 36 36 GLU HG3 H 1 2.2800 . . 2 . . . A 36 GLU HG3 . 18692 1 447 . 1 1 36 36 GLU C C 13 179.2580 . . 1 . . . A 36 GLU C . 18692 1 448 . 1 1 36 36 GLU CA C 13 57.1840 . . 1 . . . A 36 GLU CA . 18692 1 449 . 1 1 36 36 GLU CB C 13 30.8440 . . 1 . . . A 36 GLU CB . 18692 1 450 . 1 1 36 36 GLU CG C 13 37.1260 . . 1 . . . A 36 GLU CG . 18692 1 451 . 1 1 36 36 GLU N N 15 120.5980 . . 1 . . . A 36 GLU N . 18692 1 452 . 1 1 37 37 VAL H H 1 9.0050 . . 1 . . . A 37 VAL H . 18692 1 453 . 1 1 37 37 VAL HA H 1 4.2300 . . 1 . . . A 37 VAL HA . 18692 1 454 . 1 1 37 37 VAL HG11 H 1 0.9130 . . 2 . . . A 37 VAL HG11 . 18692 1 455 . 1 1 37 37 VAL HG12 H 1 0.9130 . . 2 . . . A 37 VAL HG12 . 18692 1 456 . 1 1 37 37 VAL HG13 H 1 0.9130 . . 2 . . . A 37 VAL HG13 . 18692 1 457 . 1 1 37 37 VAL HG21 H 1 0.8800 . . 2 . . . A 37 VAL HG21 . 18692 1 458 . 1 1 37 37 VAL HG22 H 1 0.8800 . . 2 . . . A 37 VAL HG22 . 18692 1 459 . 1 1 37 37 VAL HG23 H 1 0.8800 . . 2 . . . A 37 VAL HG23 . 18692 1 460 . 1 1 37 37 VAL C C 13 176.5500 . . 1 . . . A 37 VAL C . 18692 1 461 . 1 1 37 37 VAL CA C 13 65.9230 . . 1 . . . A 37 VAL CA . 18692 1 462 . 1 1 37 37 VAL CG1 C 13 21.1300 . . 2 . . . A 37 VAL CG1 . 18692 1 463 . 1 1 37 37 VAL CG2 C 13 20.4400 . . 2 . . . A 37 VAL CG2 . 18692 1 464 . 1 1 37 37 VAL N N 15 122.8170 . . 1 . . . A 37 VAL N . 18692 1 465 . 1 1 38 38 GLY H H 1 8.4400 . . 1 . . . A 38 GLY H . 18692 1 466 . 1 1 38 38 GLY HA2 H 1 3.8900 . . 2 . . . A 38 GLY HA2 . 18692 1 467 . 1 1 38 38 GLY C C 13 173.8600 . . 1 . . . A 38 GLY C . 18692 1 468 . 1 1 38 38 GLY CA C 13 44.5600 . . 1 . . . A 38 GLY CA . 18692 1 469 . 1 1 38 38 GLY N N 15 109.6600 . . 1 . . . A 38 GLY N . 18692 1 470 . 1 1 39 39 ASP H H 1 8.3300 . . 1 . . . A 39 ASP H . 18692 1 471 . 1 1 39 39 ASP HA H 1 4.9100 . . 1 . . . A 39 ASP HA . 18692 1 472 . 1 1 39 39 ASP HB2 H 1 2.3500 . . 1 . . . A 39 ASP HB2 . 18692 1 473 . 1 1 39 39 ASP HB3 H 1 2.8700 . . 1 . . . A 39 ASP HB3 . 18692 1 474 . 1 1 39 39 ASP C C 13 177.5500 . . 1 . . . A 39 ASP C . 18692 1 475 . 1 1 39 39 ASP CA C 13 54.4200 . . 1 . . . A 39 ASP CA . 18692 1 476 . 1 1 39 39 ASP CB C 13 37.1500 . . 1 . . . A 39 ASP CB . 18692 1 477 . 1 1 39 39 ASP N N 15 119.4400 . . 1 . . . A 39 ASP N . 18692 1 478 . 1 1 40 40 PHE H H 1 7.9490 . . 1 . . . A 40 PHE H . 18692 1 479 . 1 1 40 40 PHE HA H 1 4.6200 . . 1 . . . A 40 PHE HA . 18692 1 480 . 1 1 40 40 PHE HB3 H 1 3.1000 . . 1 . . . A 40 PHE HB3 . 18692 1 481 . 1 1 40 40 PHE HD2 H 1 6.8900 . . 3 . . . A 40 PHE HD2 . 18692 1 482 . 1 1 40 40 PHE HE2 H 1 7.1100 . . 3 . . . A 40 PHE HE2 . 18692 1 483 . 1 1 40 40 PHE CA C 13 56.2500 . . 1 . . . A 40 PHE CA . 18692 1 484 . 1 1 40 40 PHE CB C 13 36.1500 . . 1 . . . A 40 PHE CB . 18692 1 485 . 1 1 40 40 PHE N N 15 123.3610 . . 1 . . . A 40 PHE N . 18692 1 486 . 1 1 41 41 SER H H 1 8.5190 . . 1 . . . A 41 SER H . 18692 1 487 . 1 1 41 41 SER HA H 1 4.4920 . . 1 . . . A 41 SER HA . 18692 1 488 . 1 1 41 41 SER HB2 H 1 3.7800 . . 2 . . . A 41 SER HB2 . 18692 1 489 . 1 1 41 41 SER HB3 H 1 3.7800 . . 2 . . . A 41 SER HB3 . 18692 1 490 . 1 1 41 41 SER C C 13 174.5540 . . 1 . . . A 41 SER C . 18692 1 491 . 1 1 41 41 SER CA C 13 59.6600 . . 1 . . . A 41 SER CA . 18692 1 492 . 1 1 41 41 SER CB C 13 63.2200 . . 1 . . . A 41 SER CB . 18692 1 493 . 1 1 41 41 SER N N 15 121.4830 . . 1 . . . A 41 SER N . 18692 1 494 . 1 1 42 42 ASN H H 1 8.3300 . . 1 . . . A 42 ASN H . 18692 1 495 . 1 1 42 42 ASN HA H 1 4.9100 . . 1 . . . A 42 ASN HA . 18692 1 496 . 1 1 42 42 ASN HB2 H 1 2.5000 . . 1 . . . A 42 ASN HB2 . 18692 1 497 . 1 1 42 42 ASN HB3 H 1 3.1600 . . 1 . . . A 42 ASN HB3 . 18692 1 498 . 1 1 42 42 ASN CA C 13 53.4900 . . 1 . . . A 42 ASN CA . 18692 1 499 . 1 1 42 42 ASN CB C 13 38.1200 . . 1 . . . A 42 ASN CB . 18692 1 500 . 1 1 42 42 ASN N N 15 118.9200 . . 1 . . . A 42 ASN N . 18692 1 501 . 1 1 43 43 ILE H H 1 8.2930 . . 1 . . . A 43 ILE H . 18692 1 502 . 1 1 43 43 ILE HA H 1 4.1800 . . 1 . . . A 43 ILE HA . 18692 1 503 . 1 1 43 43 ILE HB H 1 1.8900 . . 1 . . . A 43 ILE HB . 18692 1 504 . 1 1 43 43 ILE HG12 H 1 1.3300 . . 2 . . . A 43 ILE HG12 . 18692 1 505 . 1 1 43 43 ILE HD11 H 1 0.8760 . . 1 . . . A 43 ILE HD11 . 18692 1 506 . 1 1 43 43 ILE HD12 H 1 0.8760 . . 1 . . . A 43 ILE HD12 . 18692 1 507 . 1 1 43 43 ILE HD13 H 1 0.8760 . . 1 . . . A 43 ILE HD13 . 18692 1 508 . 1 1 43 43 ILE CA C 13 60.1100 . . 1 . . . A 43 ILE CA . 18692 1 509 . 1 1 43 43 ILE CB C 13 38.4400 . . 1 . . . A 43 ILE CB . 18692 1 510 . 1 1 43 43 ILE CG1 C 13 28.4400 . . 1 . . . A 43 ILE CG1 . 18692 1 511 . 1 1 43 43 ILE CD1 C 13 13.4613 . . 1 . . . A 43 ILE CD1 . 18692 1 512 . 1 1 43 43 ILE N N 15 121.5400 . . 1 . . . A 43 ILE N . 18692 1 513 . 1 1 44 44 PRO HA H 1 4.4610 . . 1 . . . A 44 PRO HA . 18692 1 514 . 1 1 44 44 PRO HB2 H 1 2.3330 . . 1 . . . A 44 PRO HB2 . 18692 1 515 . 1 1 44 44 PRO HB3 H 1 1.9620 . . 1 . . . A 44 PRO HB3 . 18692 1 516 . 1 1 44 44 PRO HG2 H 1 1.9100 . . 2 . . . A 44 PRO HG2 . 18692 1 517 . 1 1 44 44 PRO HD2 H 1 3.5400 . . 2 . . . A 44 PRO HD2 . 18692 1 518 . 1 1 44 44 PRO C C 13 176.4650 . . 1 . . . A 44 PRO C . 18692 1 519 . 1 1 44 44 PRO CA C 13 65.3580 . . 1 . . . A 44 PRO CA . 18692 1 520 . 1 1 44 44 PRO CB C 13 30.4410 . . 1 . . . A 44 PRO CB . 18692 1 521 . 1 1 44 44 PRO CG C 13 27.8690 . . 1 . . . A 44 PRO CG . 18692 1 522 . 1 1 44 44 PRO CD C 13 49.2240 . . 1 . . . A 44 PRO CD . 18692 1 523 . 1 1 45 45 LYS H H 1 7.2700 . . 1 . . . A 45 LYS H . 18692 1 524 . 1 1 45 45 LYS HA H 1 4.1280 . . 1 . . . A 45 LYS HA . 18692 1 525 . 1 1 45 45 LYS HB2 H 1 1.7500 . . 1 . . . A 45 LYS HB2 . 18692 1 526 . 1 1 45 45 LYS HB3 H 1 1.9200 . . 1 . . . A 45 LYS HB3 . 18692 1 527 . 1 1 45 45 LYS HG2 H 1 1.2300 . . 1 . . . A 45 LYS HG2 . 18692 1 528 . 1 1 45 45 LYS HG3 H 1 1.2300 . . 1 . . . A 45 LYS HG3 . 18692 1 529 . 1 1 45 45 LYS HD2 H 1 1.5800 . . 1 . . . A 45 LYS HD2 . 18692 1 530 . 1 1 45 45 LYS HD3 H 1 1.5800 . . 1 . . . A 45 LYS HD3 . 18692 1 531 . 1 1 45 45 LYS HE2 H 1 2.7000 . . 1 . . . A 45 LYS HE2 . 18692 1 532 . 1 1 45 45 LYS HE3 H 1 2.7000 . . 1 . . . A 45 LYS HE3 . 18692 1 533 . 1 1 45 45 LYS C C 13 181.4670 . . 1 . . . A 45 LYS C . 18692 1 534 . 1 1 45 45 LYS CA C 13 59.7120 . . 1 . . . A 45 LYS CA . 18692 1 535 . 1 1 45 45 LYS CB C 13 33.2810 . . 1 . . . A 45 LYS CB . 18692 1 536 . 1 1 45 45 LYS CG C 13 25.5420 . . 1 . . . A 45 LYS CG . 18692 1 537 . 1 1 45 45 LYS CD C 13 28.9870 . . 1 . . . A 45 LYS CD . 18692 1 538 . 1 1 45 45 LYS CE C 13 41.7480 . . 1 . . . A 45 LYS CE . 18692 1 539 . 1 1 45 45 LYS N N 15 116.2360 . . 1 . . . A 45 LYS N . 18692 1 540 . 1 1 46 46 SER H H 1 8.2930 . . 1 . . . A 46 SER H . 18692 1 541 . 1 1 46 46 SER HA H 1 4.0800 . . 1 . . . A 46 SER HA . 18692 1 542 . 1 1 46 46 SER HB2 H 1 3.7300 . . 1 . . . A 46 SER HB2 . 18692 1 543 . 1 1 46 46 SER C C 13 177.4320 . . 1 . . . A 46 SER C . 18692 1 544 . 1 1 46 46 SER CA C 13 63.2020 . . 1 . . . A 46 SER CA . 18692 1 545 . 1 1 46 46 SER CB C 13 62.1180 . . 1 . . . A 46 SER CB . 18692 1 546 . 1 1 46 46 SER N N 15 116.0590 . . 1 . . . A 46 SER N . 18692 1 547 . 1 1 47 47 ALA H H 1 6.9900 . . 1 . . . A 47 ALA H . 18692 1 548 . 1 1 47 47 ALA HA H 1 4.1280 . . 1 . . . A 47 ALA HA . 18692 1 549 . 1 1 47 47 ALA HB1 H 1 1.5900 . . 1 . . . A 47 ALA HB1 . 18692 1 550 . 1 1 47 47 ALA HB2 H 1 1.5900 . . 1 . . . A 47 ALA HB2 . 18692 1 551 . 1 1 47 47 ALA HB3 H 1 1.5900 . . 1 . . . A 47 ALA HB3 . 18692 1 552 . 1 1 47 47 ALA C C 13 181.5280 . . 1 . . . A 47 ALA C . 18692 1 553 . 1 1 47 47 ALA CA C 13 55.7040 . . 1 . . . A 47 ALA CA . 18692 1 554 . 1 1 47 47 ALA CB C 13 18.3260 . . 1 . . . A 47 ALA CB . 18692 1 555 . 1 1 47 47 ALA N N 15 126.5790 . . 1 . . . A 47 ALA N . 18692 1 556 . 1 1 48 48 GLU H H 1 7.8630 . . 1 . . . A 48 GLU H . 18692 1 557 . 1 1 48 48 GLU HA H 1 4.0620 . . 1 . . . A 48 GLU HA . 18692 1 558 . 1 1 48 48 GLU HB2 H 1 2.0900 . . 1 . . . A 48 GLU HB2 . 18692 1 559 . 1 1 48 48 GLU HB3 H 1 2.0920 . . 1 . . . A 48 GLU HB3 . 18692 1 560 . 1 1 48 48 GLU HG2 H 1 2.2580 . . 1 . . . A 48 GLU HG2 . 18692 1 561 . 1 1 48 48 GLU HG3 H 1 2.3770 . . 1 . . . A 48 GLU HG3 . 18692 1 562 . 1 1 48 48 GLU C C 13 180.8220 . . 1 . . . A 48 GLU C . 18692 1 563 . 1 1 48 48 GLU CA C 13 59.1000 . . 1 . . . A 48 GLU CA . 18692 1 564 . 1 1 48 48 GLU CB C 13 29.7700 . . 1 . . . A 48 GLU CB . 18692 1 565 . 1 1 48 48 GLU CG C 13 33.7410 . . 1 . . . A 48 GLU CG . 18692 1 566 . 1 1 48 48 GLU N N 15 117.9800 . . 1 . . . A 48 GLU N . 18692 1 567 . 1 1 49 49 PHE H H 1 8.3410 . . 1 . . . A 49 PHE H . 18692 1 568 . 1 1 49 49 PHE HA H 1 4.1170 . . 1 . . . A 49 PHE HA . 18692 1 569 . 1 1 49 49 PHE HB2 H 1 3.1200 . . 1 . . . A 49 PHE HB2 . 18692 1 570 . 1 1 49 49 PHE HB3 H 1 3.0890 . . 1 . . . A 49 PHE HB3 . 18692 1 571 . 1 1 49 49 PHE HD2 H 1 7.1250 . . 3 . . . A 49 PHE HD2 . 18692 1 572 . 1 1 49 49 PHE HE2 H 1 7.2380 . . 3 . . . A 49 PHE HE2 . 18692 1 573 . 1 1 49 49 PHE C C 13 179.5800 . . 1 . . . A 49 PHE C . 18692 1 574 . 1 1 49 49 PHE CA C 13 57.8130 . . 1 . . . A 49 PHE CA . 18692 1 575 . 1 1 49 49 PHE CB C 13 41.6950 . . 1 . . . A 49 PHE CB . 18692 1 576 . 1 1 49 49 PHE N N 15 122.1790 . . 1 . . . A 49 PHE N . 18692 1 577 . 1 1 50 50 ILE H H 1 8.3220 . . 1 . . . A 50 ILE H . 18692 1 578 . 1 1 50 50 ILE HA H 1 3.5330 . . 1 . . . A 50 ILE HA . 18692 1 579 . 1 1 50 50 ILE HB H 1 1.6200 . . 1 . . . A 50 ILE HB . 18692 1 580 . 1 1 50 50 ILE HG12 H 1 1.3250 . . 2 . . . A 50 ILE HG12 . 18692 1 581 . 1 1 50 50 ILE HG13 H 1 1.3250 . . 2 . . . A 50 ILE HG13 . 18692 1 582 . 1 1 50 50 ILE HG21 H 1 0.8600 . . 1 . . . A 50 ILE HG21 . 18692 1 583 . 1 1 50 50 ILE HG22 H 1 0.8600 . . 1 . . . A 50 ILE HG22 . 18692 1 584 . 1 1 50 50 ILE HG23 H 1 0.8600 . . 1 . . . A 50 ILE HG23 . 18692 1 585 . 1 1 50 50 ILE HD11 H 1 0.6842 . . 1 . . . A 50 ILE HD11 . 18692 1 586 . 1 1 50 50 ILE HD12 H 1 0.6842 . . 1 . . . A 50 ILE HD12 . 18692 1 587 . 1 1 50 50 ILE HD13 H 1 0.6842 . . 1 . . . A 50 ILE HD13 . 18692 1 588 . 1 1 50 50 ILE C C 13 179.6980 . . 1 . . . A 50 ILE C . 18692 1 589 . 1 1 50 50 ILE CA C 13 62.8840 . . 1 . . . A 50 ILE CA . 18692 1 590 . 1 1 50 50 ILE CB C 13 36.6690 . . 1 . . . A 50 ILE CB . 18692 1 591 . 1 1 50 50 ILE CG1 C 13 27.6820 . . 1 . . . A 50 ILE CG1 . 18692 1 592 . 1 1 50 50 ILE CG2 C 13 18.4470 . . 1 . . . A 50 ILE CG2 . 18692 1 593 . 1 1 50 50 ILE CD1 C 13 11.8690 . . 1 . . . A 50 ILE CD1 . 18692 1 594 . 1 1 50 50 ILE N N 15 117.4690 . . 1 . . . A 50 ILE N . 18692 1 595 . 1 1 51 51 GLN H H 1 7.8870 . . 1 . . . A 51 GLN H . 18692 1 596 . 1 1 51 51 GLN HA H 1 4.2610 . . 1 . . . A 51 GLN HA . 18692 1 597 . 1 1 51 51 GLN HB2 H 1 2.1800 . . 1 . . . A 51 GLN HB2 . 18692 1 598 . 1 1 51 51 GLN HB3 H 1 2.1540 . . 1 . . . A 51 GLN HB3 . 18692 1 599 . 1 1 51 51 GLN HG2 H 1 2.4200 . . 1 . . . A 51 GLN HG2 . 18692 1 600 . 1 1 51 51 GLN HG3 H 1 2.5800 . . 1 . . . A 51 GLN HG3 . 18692 1 601 . 1 1 51 51 GLN C C 13 182.6270 . . 1 . . . A 51 GLN C . 18692 1 602 . 1 1 51 51 GLN CA C 13 58.8620 . . 1 . . . A 51 GLN CA . 18692 1 603 . 1 1 51 51 GLN CB C 13 28.4510 . . 1 . . . A 51 GLN CB . 18692 1 604 . 1 1 51 51 GLN CG C 13 34.5160 . . 1 . . . A 51 GLN CG . 18692 1 605 . 1 1 51 51 GLN N N 15 117.1900 . . 1 . . . A 51 GLN N . 18692 1 606 . 1 1 52 52 SER H H 1 8.5560 . . 1 . . . A 52 SER H . 18692 1 607 . 1 1 52 52 SER HA H 1 4.1370 . . 1 . . . A 52 SER HA . 18692 1 608 . 1 1 52 52 SER HB2 H 1 4.0000 . . 1 . . . A 52 SER HB2 . 18692 1 609 . 1 1 52 52 SER CA C 13 61.4010 . . 1 . . . A 52 SER CA . 18692 1 610 . 1 1 52 52 SER CB C 13 62.6150 . . 1 . . . A 52 SER CB . 18692 1 611 . 1 1 52 52 SER N N 15 117.6700 . . 1 . . . A 52 SER N . 18692 1 612 . 1 1 53 53 LYS H H 1 7.0640 . . 1 . . . A 53 LYS H . 18692 1 613 . 1 1 53 53 LYS HA H 1 4.1700 . . 1 . . . A 53 LYS HA . 18692 1 614 . 1 1 53 53 LYS HB2 H 1 1.5800 . . 1 . . . A 53 LYS HB2 . 18692 1 615 . 1 1 53 53 LYS HB3 H 1 1.8500 . . 1 . . . A 53 LYS HB3 . 18692 1 616 . 1 1 53 53 LYS HG2 H 1 0.9000 . . 1 . . . A 53 LYS HG2 . 18692 1 617 . 1 1 53 53 LYS HG3 H 1 0.9900 . . 1 . . . A 53 LYS HG3 . 18692 1 618 . 1 1 53 53 LYS HD2 H 1 1.2900 . . 1 . . . A 53 LYS HD2 . 18692 1 619 . 1 1 53 53 LYS HD3 H 1 1.3700 . . 1 . . . A 53 LYS HD3 . 18692 1 620 . 1 1 53 53 LYS HE2 H 1 2.4200 . . 1 . . . A 53 LYS HE2 . 18692 1 621 . 1 1 53 53 LYS HE3 H 1 2.6300 . . 1 . . . A 53 LYS HE3 . 18692 1 622 . 1 1 53 53 LYS C C 13 177.9110 . . 1 . . . A 53 LYS C . 18692 1 623 . 1 1 53 53 LYS CA C 13 54.6620 . . 1 . . . A 53 LYS CA . 18692 1 624 . 1 1 53 53 LYS CB C 13 32.6520 . . 1 . . . A 53 LYS CB . 18692 1 625 . 1 1 53 53 LYS CG C 13 23.7550 . . 1 . . . A 53 LYS CG . 18692 1 626 . 1 1 53 53 LYS CD C 13 27.4930 . . 1 . . . A 53 LYS CD . 18692 1 627 . 1 1 53 53 LYS CE C 13 42.2900 . . 1 . . . A 53 LYS CE . 18692 1 628 . 1 1 53 53 LYS N N 15 119.0080 . . 1 . . . A 53 LYS N . 18692 1 629 . 1 1 54 54 GLY H H 1 7.5480 . . 1 . . . A 54 GLY H . 18692 1 630 . 1 1 54 54 GLY HA2 H 1 3.6600 . . 1 . . . A 54 GLY HA2 . 18692 1 631 . 1 1 54 54 GLY HA3 H 1 3.9200 . . 1 . . . A 54 GLY HA3 . 18692 1 632 . 1 1 54 54 GLY C C 13 175.5280 . . 1 . . . A 54 GLY C . 18692 1 633 . 1 1 54 54 GLY CA C 13 45.1180 . . 1 . . . A 54 GLY CA . 18692 1 634 . 1 1 54 54 GLY N N 15 105.1880 . . 1 . . . A 54 GLY N . 18692 1 635 . 1 1 55 55 HIS H H 1 6.9980 . . 1 . . . A 55 HIS H . 18692 1 636 . 1 1 55 55 HIS HA H 1 4.9470 . . 1 . . . A 55 HIS HA . 18692 1 637 . 1 1 55 55 HIS HB2 H 1 2.6590 . . 1 . . . A 55 HIS HB2 . 18692 1 638 . 1 1 55 55 HIS HB3 H 1 3.4250 . . 1 . . . A 55 HIS HB3 . 18692 1 639 . 1 1 55 55 HIS HD1 H 1 8.9910 . . 1 . . . A 55 HIS HD1 . 18692 1 640 . 1 1 55 55 HIS HE1 H 1 8.1150 . . 1 . . . A 55 HIS HE1 . 18692 1 641 . 1 1 55 55 HIS C C 13 175.2400 . . 1 . . . A 55 HIS C . 18692 1 642 . 1 1 55 55 HIS CA C 13 54.8470 . . 1 . . . A 55 HIS CA . 18692 1 643 . 1 1 55 55 HIS CB C 13 31.3150 . . 1 . . . A 55 HIS CB . 18692 1 644 . 1 1 55 55 HIS N N 15 118.2940 . . 1 . . . A 55 HIS N . 18692 1 645 . 1 1 56 56 GLU H H 1 8.5090 . . 1 . . . A 56 GLU H . 18692 1 646 . 1 1 56 56 GLU HA H 1 4.6660 . . 1 . . . A 56 GLU HA . 18692 1 647 . 1 1 56 56 GLU HB2 H 1 2.0500 . . 1 . . . A 56 GLU HB2 . 18692 1 648 . 1 1 56 56 GLU HB3 H 1 2.0190 . . 1 . . . A 56 GLU HB3 . 18692 1 649 . 1 1 56 56 GLU HG2 H 1 2.3010 . . 1 . . . A 56 GLU HG2 . 18692 1 650 . 1 1 56 56 GLU HG3 H 1 2.3010 . . 1 . . . A 56 GLU HG3 . 18692 1 651 . 1 1 56 56 GLU C C 13 176.7660 . . 1 . . . A 56 GLU C . 18692 1 652 . 1 1 56 56 GLU CA C 13 55.1620 . . 1 . . . A 56 GLU CA . 18692 1 653 . 1 1 56 56 GLU CB C 13 33.1100 . . 1 . . . A 56 GLU CB . 18692 1 654 . 1 1 56 56 GLU CG C 13 36.3890 . . 1 . . . A 56 GLU CG . 18692 1 655 . 1 1 56 56 GLU N N 15 118.2050 . . 1 . . . A 56 GLU N . 18692 1 656 . 1 1 57 57 LEU H H 1 8.9780 . . 1 . . . A 57 LEU H . 18692 1 657 . 1 1 57 57 LEU HA H 1 4.7860 . . 1 . . . A 57 LEU HA . 18692 1 658 . 1 1 57 57 LEU HB2 H 1 1.3100 . . 1 . . . A 57 LEU HB2 . 18692 1 659 . 1 1 57 57 LEU HB3 H 1 1.2850 . . 1 . . . A 57 LEU HB3 . 18692 1 660 . 1 1 57 57 LEU HG H 1 1.5170 . . 1 . . . A 57 LEU HG . 18692 1 661 . 1 1 57 57 LEU HD11 H 1 0.8720 . . 2 . . . A 57 LEU HD11 . 18692 1 662 . 1 1 57 57 LEU HD12 H 1 0.8720 . . 2 . . . A 57 LEU HD12 . 18692 1 663 . 1 1 57 57 LEU HD13 H 1 0.8720 . . 2 . . . A 57 LEU HD13 . 18692 1 664 . 1 1 57 57 LEU C C 13 177.8540 . . 1 . . . A 57 LEU C . 18692 1 665 . 1 1 57 57 LEU CA C 13 53.7800 . . 1 . . . A 57 LEU CA . 18692 1 666 . 1 1 57 57 LEU CB C 13 42.6760 . . 1 . . . A 57 LEU CB . 18692 1 667 . 1 1 57 57 LEU CG C 13 25.4650 . . 1 . . . A 57 LEU CG . 18692 1 668 . 1 1 57 57 LEU CD1 C 13 25.3300 . . 2 . . . A 57 LEU CD1 . 18692 1 669 . 1 1 57 57 LEU N N 15 127.7690 . . 1 . . . A 57 LEU N . 18692 1 670 . 1 1 58 58 LEU H H 1 9.1280 . . 1 . . . A 58 LEU H . 18692 1 671 . 1 1 58 58 LEU HA H 1 4.4020 . . 1 . . . A 58 LEU HA . 18692 1 672 . 1 1 58 58 LEU HB2 H 1 1.5300 . . 1 . . . A 58 LEU HB2 . 18692 1 673 . 1 1 58 58 LEU HB3 H 1 1.5070 . . 1 . . . A 58 LEU HB3 . 18692 1 674 . 1 1 58 58 LEU HD11 H 1 0.8620 . . 1 . . . A 58 LEU HD11 . 18692 1 675 . 1 1 58 58 LEU HD12 H 1 0.8620 . . 1 . . . A 58 LEU HD12 . 18692 1 676 . 1 1 58 58 LEU HD13 H 1 0.8620 . . 1 . . . A 58 LEU HD13 . 18692 1 677 . 1 1 58 58 LEU HD21 H 1 0.8620 . . 1 . . . A 58 LEU HD21 . 18692 1 678 . 1 1 58 58 LEU HD22 H 1 0.8620 . . 1 . . . A 58 LEU HD22 . 18692 1 679 . 1 1 58 58 LEU HD23 H 1 0.8620 . . 1 . . . A 58 LEU HD23 . 18692 1 680 . 1 1 58 58 LEU C C 13 179.4690 . . 1 . . . A 58 LEU C . 18692 1 681 . 1 1 58 58 LEU CA C 13 56.5340 . . 1 . . . A 58 LEU CA . 18692 1 682 . 1 1 58 58 LEU CB C 13 42.3710 . . 1 . . . A 58 LEU CB . 18692 1 683 . 1 1 58 58 LEU N N 15 128.3640 . . 1 . . . A 58 LEU N . 18692 1 684 . 1 1 59 59 ASN H H 1 7.5740 . . 1 . . . A 59 ASN H . 18692 1 685 . 1 1 59 59 ASN HA H 1 4.9180 . . 1 . . . A 59 ASN HA . 18692 1 686 . 1 1 59 59 ASN HB2 H 1 2.4760 . . 1 . . . A 59 ASN HB2 . 18692 1 687 . 1 1 59 59 ASN HB3 H 1 2.6480 . . 1 . . . A 59 ASN HB3 . 18692 1 688 . 1 1 59 59 ASN C C 13 175.5600 . . 1 . . . A 59 ASN C . 18692 1 689 . 1 1 59 59 ASN CA C 13 52.3890 . . 1 . . . A 59 ASN CA . 18692 1 690 . 1 1 59 59 ASN CB C 13 41.8870 . . 1 . . . A 59 ASN CB . 18692 1 691 . 1 1 59 59 ASN N N 15 113.6220 . . 1 . . . A 59 ASN N . 18692 1 692 . 1 1 60 60 SER H H 1 8.4360 . . 1 . . . A 60 SER H . 18692 1 693 . 1 1 60 60 SER HA H 1 4.0450 . . 1 . . . A 60 SER HA . 18692 1 694 . 1 1 60 60 SER HB2 H 1 3.5620 . . 2 . . . A 60 SER HB2 . 18692 1 695 . 1 1 60 60 SER CA C 13 56.9250 . . 1 . . . A 60 SER CA . 18692 1 696 . 1 1 60 60 SER CB C 13 63.6490 . . 1 . . . A 60 SER CB . 18692 1 697 . 1 1 60 60 SER N N 15 118.1340 . . 1 . . . A 60 SER N . 18692 1 698 . 1 1 61 61 LEU H H 1 8.7250 . . 1 . . . A 61 LEU H . 18692 1 699 . 1 1 61 61 LEU HA H 1 4.2190 . . 1 . . . A 61 LEU HA . 18692 1 700 . 1 1 61 61 LEU HB2 H 1 1.3770 . . 1 . . . A 61 LEU HB2 . 18692 1 701 . 1 1 61 61 LEU HB3 H 1 1.4950 . . 1 . . . A 61 LEU HB3 . 18692 1 702 . 1 1 61 61 LEU HG H 1 1.6520 . . 1 . . . A 61 LEU HG . 18692 1 703 . 1 1 61 61 LEU HD11 H 1 0.7270 . . 1 . . . A 61 LEU HD11 . 18692 1 704 . 1 1 61 61 LEU HD12 H 1 0.7270 . . 1 . . . A 61 LEU HD12 . 18692 1 705 . 1 1 61 61 LEU HD13 H 1 0.7270 . . 1 . . . A 61 LEU HD13 . 18692 1 706 . 1 1 61 61 LEU HD21 H 1 0.7270 . . 1 . . . A 61 LEU HD21 . 18692 1 707 . 1 1 61 61 LEU HD22 H 1 0.7270 . . 1 . . . A 61 LEU HD22 . 18692 1 708 . 1 1 61 61 LEU HD23 H 1 0.7270 . . 1 . . . A 61 LEU HD23 . 18692 1 709 . 1 1 61 61 LEU CA C 13 55.1060 . . 1 . . . A 61 LEU CA . 18692 1 710 . 1 1 61 61 LEU CB C 13 44.5770 . . 1 . . . A 61 LEU CB . 18692 1 711 . 1 1 61 61 LEU CG C 13 26.2230 . . 1 . . . A 61 LEU CG . 18692 1 712 . 1 1 61 61 LEU N N 15 128.2660 . . 1 . . . A 61 LEU N . 18692 1 713 . 1 1 62 62 ARG H H 1 7.3030 . . 1 . . . A 62 ARG H . 18692 1 714 . 1 1 62 62 ARG HA H 1 4.3120 . . 1 . . . A 62 ARG HA . 18692 1 715 . 1 1 62 62 ARG HB2 H 1 1.7920 . . 2 . . . A 62 ARG HB2 . 18692 1 716 . 1 1 62 62 ARG HB3 H 1 1.7630 . . 2 . . . A 62 ARG HB3 . 18692 1 717 . 1 1 62 62 ARG HG2 H 1 1.3860 . . 2 . . . A 62 ARG HG2 . 18692 1 718 . 1 1 62 62 ARG HG3 H 1 1.3860 . . 2 . . . A 62 ARG HG3 . 18692 1 719 . 1 1 62 62 ARG C C 13 176.5600 . . 1 . . . A 62 ARG C . 18692 1 720 . 1 1 62 62 ARG CA C 13 57.2900 . . 1 . . . A 62 ARG CA . 18692 1 721 . 1 1 62 62 ARG CB C 13 30.8280 . . 1 . . . A 62 ARG CB . 18692 1 722 . 1 1 62 62 ARG CG C 13 28.4400 . . 1 . . . A 62 ARG CG . 18692 1 723 . 1 1 62 62 ARG N N 15 122.3830 . . 1 . . . A 62 ARG N . 18692 1 724 . 1 1 63 63 PHE H H 1 8.3210 . . 1 . . . A 63 PHE H . 18692 1 725 . 1 1 63 63 PHE HA H 1 4.6130 . . 1 . . . A 63 PHE HA . 18692 1 726 . 1 1 63 63 PHE HB2 H 1 2.4830 . . 1 . . . A 63 PHE HB2 . 18692 1 727 . 1 1 63 63 PHE HB3 H 1 2.9100 . . 1 . . . A 63 PHE HB3 . 18692 1 728 . 1 1 63 63 PHE HD2 H 1 6.8910 . . 3 . . . A 63 PHE HD2 . 18692 1 729 . 1 1 63 63 PHE HE2 H 1 7.1800 . . 3 . . . A 63 PHE HE2 . 18692 1 730 . 1 1 63 63 PHE CA C 13 61.3770 . . 1 . . . A 63 PHE CA . 18692 1 731 . 1 1 63 63 PHE CB C 13 39.9080 . . 1 . . . A 63 PHE CB . 18692 1 732 . 1 1 63 63 PHE N N 15 120.5600 . . 1 . . . A 63 PHE N . 18692 1 733 . 1 1 64 64 ASN H H 1 8.1010 . . 1 . . . A 64 ASN H . 18692 1 734 . 1 1 64 64 ASN HA H 1 4.3770 . . 1 . . . A 64 ASN HA . 18692 1 735 . 1 1 64 64 ASN HB2 H 1 2.8800 . . 1 . . . A 64 ASN HB2 . 18692 1 736 . 1 1 64 64 ASN HB3 H 1 2.8750 . . 1 . . . A 64 ASN HB3 . 18692 1 737 . 1 1 64 64 ASN C C 13 176.6420 . . 1 . . . A 64 ASN C . 18692 1 738 . 1 1 64 64 ASN CA C 13 53.4650 . . 1 . . . A 64 ASN CA . 18692 1 739 . 1 1 64 64 ASN CB C 13 37.4500 . . 1 . . . A 64 ASN CB . 18692 1 740 . 1 1 64 64 ASN N N 15 117.6160 . . 1 . . . A 64 ASN N . 18692 1 741 . 1 1 65 65 GLN H H 1 8.3300 . . 1 . . . A 65 GLN H . 18692 1 742 . 1 1 65 65 GLN HA H 1 4.2750 . . 1 . . . A 65 GLN HA . 18692 1 743 . 1 1 65 65 GLN HB2 H 1 2.1910 . . 1 . . . A 65 GLN HB2 . 18692 1 744 . 1 1 65 65 GLN HB3 H 1 2.1910 . . 1 . . . A 65 GLN HB3 . 18692 1 745 . 1 1 65 65 GLN HG2 H 1 2.4150 . . 1 . . . A 65 GLN HG2 . 18692 1 746 . 1 1 65 65 GLN HG3 H 1 2.5760 . . 1 . . . A 65 GLN HG3 . 18692 1 747 . 1 1 65 65 GLN C C 13 178.4110 . . 1 . . . A 65 GLN C . 18692 1 748 . 1 1 65 65 GLN CA C 13 59.1270 . . 1 . . . A 65 GLN CA . 18692 1 749 . 1 1 65 65 GLN CB C 13 28.6500 . . 1 . . . A 65 GLN CB . 18692 1 750 . 1 1 65 65 GLN CG C 13 34.4980 . . 1 . . . A 65 GLN CG . 18692 1 751 . 1 1 65 65 GLN N N 15 115.5480 . . 1 . . . A 65 GLN N . 18692 1 752 . 1 1 66 66 ALA H H 1 8.3460 . . 1 . . . A 66 ALA H . 18692 1 753 . 1 1 66 66 ALA HA H 1 4.6520 . . 1 . . . A 66 ALA HA . 18692 1 754 . 1 1 66 66 ALA HB1 H 1 1.4430 . . 1 . . . A 66 ALA HB1 . 18692 1 755 . 1 1 66 66 ALA HB2 H 1 1.4430 . . 1 . . . A 66 ALA HB2 . 18692 1 756 . 1 1 66 66 ALA HB3 H 1 1.4430 . . 1 . . . A 66 ALA HB3 . 18692 1 757 . 1 1 66 66 ALA C C 13 178.8930 . . 1 . . . A 66 ALA C . 18692 1 758 . 1 1 66 66 ALA CA C 13 52.7510 . . 1 . . . A 66 ALA CA . 18692 1 759 . 1 1 66 66 ALA CB C 13 21.7050 . . 1 . . . A 66 ALA CB . 18692 1 760 . 1 1 66 66 ALA N N 15 120.8020 . . 1 . . . A 66 ALA N . 18692 1 761 . 1 1 67 67 ASP H H 1 8.1170 . . 1 . . . A 67 ASP H . 18692 1 762 . 1 1 67 67 ASP HA H 1 4.6120 . . 1 . . . A 67 ASP HA . 18692 1 763 . 1 1 67 67 ASP HB2 H 1 2.6830 . . 2 . . . A 67 ASP HB2 . 18692 1 764 . 1 1 67 67 ASP HB3 H 1 2.6830 . . 2 . . . A 67 ASP HB3 . 18692 1 765 . 1 1 67 67 ASP C C 13 175.6390 . . 1 . . . A 67 ASP C . 18692 1 766 . 1 1 67 67 ASP CA C 13 54.7260 . . 1 . . . A 67 ASP CA . 18692 1 767 . 1 1 67 67 ASP CB C 13 45.1520 . . 1 . . . A 67 ASP CB . 18692 1 768 . 1 1 67 67 ASP N N 15 118.9090 . . 1 . . . A 67 ASP N . 18692 1 769 . 1 1 68 68 TRP H H 1 8.3100 . . 1 . . . A 68 TRP H . 18692 1 770 . 1 1 68 68 TRP HA H 1 4.4770 . . 1 . . . A 68 TRP HA . 18692 1 771 . 1 1 68 68 TRP HB3 H 1 2.6340 . . 1 . . . A 68 TRP HB3 . 18692 1 772 . 1 1 68 68 TRP HD1 H 1 7.2130 . . 1 . . . A 68 TRP HD1 . 18692 1 773 . 1 1 68 68 TRP HE1 H 1 9.8100 . . 1 . . . A 68 TRP HE1 . 18692 1 774 . 1 1 68 68 TRP CA C 13 56.2530 . . 1 . . . A 68 TRP CA . 18692 1 775 . 1 1 68 68 TRP CB C 13 33.7190 . . 1 . . . A 68 TRP CB . 18692 1 776 . 1 1 69 69 THR H H 1 7.9850 . . 1 . . . A 69 THR H . 18692 1 777 . 1 1 69 69 THR HA H 1 5.6050 . . 1 . . . A 69 THR HA . 18692 1 778 . 1 1 69 69 THR HB H 1 3.7500 . . 1 . . . A 69 THR HB . 18692 1 779 . 1 1 69 69 THR C C 13 176.0050 . . 1 . . . A 69 THR C . 18692 1 780 . 1 1 69 69 THR CA C 13 58.8550 . . 1 . . . A 69 THR CA . 18692 1 781 . 1 1 69 69 THR CB C 13 72.7550 . . 1 . . . A 69 THR CB . 18692 1 782 . 1 1 69 69 THR CG2 C 13 22.7950 . . 1 . . . A 69 THR CG2 . 18692 1 783 . 1 1 69 69 THR N N 15 114.4950 . . 1 . . . A 69 THR N . 18692 1 784 . 1 1 70 70 ILE H H 1 8.8070 . . 1 . . . A 70 ILE H . 18692 1 785 . 1 1 70 70 ILE HA H 1 5.3840 . . 1 . . . A 70 ILE HA . 18692 1 786 . 1 1 70 70 ILE HB H 1 2.1200 . . 1 . . . A 70 ILE HB . 18692 1 787 . 1 1 70 70 ILE HG13 H 1 1.4370 . . 1 . . . A 70 ILE HG13 . 18692 1 788 . 1 1 70 70 ILE HG21 H 1 0.8170 . . 1 . . . A 70 ILE HG21 . 18692 1 789 . 1 1 70 70 ILE HG22 H 1 0.8170 . . 1 . . . A 70 ILE HG22 . 18692 1 790 . 1 1 70 70 ILE HG23 H 1 0.8170 . . 1 . . . A 70 ILE HG23 . 18692 1 791 . 1 1 70 70 ILE C C 13 175.7510 . . 1 . . . A 70 ILE C . 18692 1 792 . 1 1 70 70 ILE CA C 13 59.6370 . . 1 . . . A 70 ILE CA . 18692 1 793 . 1 1 70 70 ILE CB C 13 41.6890 . . 1 . . . A 70 ILE CB . 18692 1 794 . 1 1 70 70 ILE CG1 C 13 26.3840 . . 1 . . . A 70 ILE CG1 . 18692 1 795 . 1 1 70 70 ILE CG2 C 13 17.6830 . . 1 . . . A 70 ILE CG2 . 18692 1 796 . 1 1 70 70 ILE CD1 C 13 12.6000 . . 1 . . . A 70 ILE CD1 . 18692 1 797 . 1 1 70 70 ILE N N 15 114.4480 . . 1 . . . A 70 ILE N . 18692 1 798 . 1 1 71 71 VAL H H 1 8.5000 . . 1 . . . A 71 VAL H . 18692 1 799 . 1 1 71 71 VAL HA H 1 5.0120 . . 1 . . . A 71 VAL HA . 18692 1 800 . 1 1 71 71 VAL HB H 1 1.9400 . . 1 . . . A 71 VAL HB . 18692 1 801 . 1 1 71 71 VAL HG11 H 1 0.8690 . . 1 . . . A 71 VAL HG11 . 18692 1 802 . 1 1 71 71 VAL HG12 H 1 0.8690 . . 1 . . . A 71 VAL HG12 . 18692 1 803 . 1 1 71 71 VAL HG13 H 1 0.8690 . . 1 . . . A 71 VAL HG13 . 18692 1 804 . 1 1 71 71 VAL HG21 H 1 0.6910 . . 1 . . . A 71 VAL HG21 . 18692 1 805 . 1 1 71 71 VAL HG22 H 1 0.6910 . . 1 . . . A 71 VAL HG22 . 18692 1 806 . 1 1 71 71 VAL HG23 H 1 0.6910 . . 1 . . . A 71 VAL HG23 . 18692 1 807 . 1 1 71 71 VAL C C 13 177.6250 . . 1 . . . A 71 VAL C . 18692 1 808 . 1 1 71 71 VAL CA C 13 61.6470 . . 1 . . . A 71 VAL CA . 18692 1 809 . 1 1 71 71 VAL CB C 13 32.4820 . . 1 . . . A 71 VAL CB . 18692 1 810 . 1 1 71 71 VAL CG1 C 13 21.8540 . . 1 . . . A 71 VAL CG1 . 18692 1 811 . 1 1 71 71 VAL CG2 C 13 19.8580 . . 1 . . . A 71 VAL CG2 . 18692 1 812 . 1 1 71 71 VAL N N 15 124.0840 . . 1 . . . A 71 VAL N . 18692 1 813 . 1 1 72 72 VAL H H 1 9.2800 . . 1 . . . A 72 VAL H . 18692 1 814 . 1 1 72 72 VAL HA H 1 5.1470 . . 1 . . . A 72 VAL HA . 18692 1 815 . 1 1 72 72 VAL HB H 1 2.1000 . . 1 . . . A 72 VAL HB . 18692 1 816 . 1 1 72 72 VAL HG11 H 1 1.0330 . . 1 . . . A 72 VAL HG11 . 18692 1 817 . 1 1 72 72 VAL HG12 H 1 1.0330 . . 1 . . . A 72 VAL HG12 . 18692 1 818 . 1 1 72 72 VAL HG13 H 1 1.0330 . . 1 . . . A 72 VAL HG13 . 18692 1 819 . 1 1 72 72 VAL HG21 H 1 0.8740 . . 1 . . . A 72 VAL HG21 . 18692 1 820 . 1 1 72 72 VAL HG22 H 1 0.8740 . . 1 . . . A 72 VAL HG22 . 18692 1 821 . 1 1 72 72 VAL HG23 H 1 0.8740 . . 1 . . . A 72 VAL HG23 . 18692 1 822 . 1 1 72 72 VAL C C 13 175.4440 . . 1 . . . A 72 VAL C . 18692 1 823 . 1 1 72 72 VAL CA C 13 60.2520 . . 1 . . . A 72 VAL CA . 18692 1 824 . 1 1 72 72 VAL CB C 13 37.4250 . . 1 . . . A 72 VAL CB . 18692 1 825 . 1 1 72 72 VAL CG1 C 13 22.1870 . . 1 . . . A 72 VAL CG1 . 18692 1 826 . 1 1 72 72 VAL CG2 C 13 20.4710 . . 1 . . . A 72 VAL CG2 . 18692 1 827 . 1 1 72 72 VAL N N 15 127.7530 . . 1 . . . A 72 VAL N . 18692 1 828 . 1 1 73 73 ARG H H 1 9.1940 . . 1 . . . A 73 ARG H . 18692 1 829 . 1 1 73 73 ARG HA H 1 5.4580 . . 1 . . . A 73 ARG HA . 18692 1 830 . 1 1 73 73 ARG HB2 H 1 1.5620 . . 1 . . . A 73 ARG HB2 . 18692 1 831 . 1 1 73 73 ARG HB3 H 1 1.9650 . . 1 . . . A 73 ARG HB3 . 18692 1 832 . 1 1 73 73 ARG HG2 H 1 1.3550 . . 1 . . . A 73 ARG HG2 . 18692 1 833 . 1 1 73 73 ARG HG3 H 1 1.4750 . . 1 . . . A 73 ARG HG3 . 18692 1 834 . 1 1 73 73 ARG HD2 H 1 3.2490 . . 1 . . . A 73 ARG HD2 . 18692 1 835 . 1 1 73 73 ARG HD3 H 1 3.2490 . . 1 . . . A 73 ARG HD3 . 18692 1 836 . 1 1 73 73 ARG C C 13 177.9810 . . 1 . . . A 73 ARG C . 18692 1 837 . 1 1 73 73 ARG CA C 13 53.7880 . . 1 . . . A 73 ARG CA . 18692 1 838 . 1 1 73 73 ARG CB C 13 33.8550 . . 1 . . . A 73 ARG CB . 18692 1 839 . 1 1 73 73 ARG CG C 13 26.4980 . . 1 . . . A 73 ARG CG . 18692 1 840 . 1 1 73 73 ARG CD C 13 43.5920 . . 1 . . . A 73 ARG CD . 18692 1 841 . 1 1 73 73 ARG N N 15 125.8390 . . 1 . . . A 73 ARG N . 18692 1 842 . 1 1 74 74 LYS H H 1 10.9300 . . 1 . . . A 74 LYS H . 18692 1 843 . 1 1 74 74 LYS HA H 1 4.3230 . . 1 . . . A 74 LYS HA . 18692 1 844 . 1 1 74 74 LYS HB2 H 1 1.4800 . . 1 . . . A 74 LYS HB2 . 18692 1 845 . 1 1 74 74 LYS HB3 H 1 2.1700 . . 1 . . . A 74 LYS HB3 . 18692 1 846 . 1 1 74 74 LYS HG2 H 1 1.1530 . . 1 . . . A 74 LYS HG2 . 18692 1 847 . 1 1 74 74 LYS HG3 H 1 1.4970 . . 1 . . . A 74 LYS HG3 . 18692 1 848 . 1 1 74 74 LYS HD2 H 1 1.7200 . . 2 . . . A 74 LYS HD2 . 18692 1 849 . 1 1 74 74 LYS HD3 H 1 1.7200 . . 2 . . . A 74 LYS HD3 . 18692 1 850 . 1 1 74 74 LYS HE2 H 1 2.8930 . . 1 . . . A 74 LYS HE2 . 18692 1 851 . 1 1 74 74 LYS HE3 H 1 2.8930 . . 1 . . . A 74 LYS HE3 . 18692 1 852 . 1 1 74 74 LYS C C 13 178.3400 . . 1 . . . A 74 LYS C . 18692 1 853 . 1 1 74 74 LYS CA C 13 55.9830 . . 1 . . . A 74 LYS CA . 18692 1 854 . 1 1 74 74 LYS CB C 13 33.1030 . . 1 . . . A 74 LYS CB . 18692 1 855 . 1 1 74 74 LYS CG C 13 26.3460 . . 1 . . . A 74 LYS CG . 18692 1 856 . 1 1 74 74 LYS CD C 13 30.0180 . . 1 . . . A 74 LYS CD . 18692 1 857 . 1 1 74 74 LYS CE C 13 42.9800 . . 1 . . . A 74 LYS CE . 18692 1 858 . 1 1 74 74 LYS N N 15 129.5220 . . 1 . . . A 74 LYS N . 18692 1 859 . 1 1 75 75 LYS H H 1 10.8730 . . 1 . . . A 75 LYS H . 18692 1 860 . 1 1 75 75 LYS HA H 1 4.4890 . . 1 . . . A 75 LYS HA . 18692 1 861 . 1 1 75 75 LYS HB2 H 1 1.8780 . . 2 . . . A 75 LYS HB2 . 18692 1 862 . 1 1 75 75 LYS HB3 H 1 1.8780 . . 1 . . . A 75 LYS HB3 . 18692 1 863 . 1 1 75 75 LYS HG2 H 1 1.3560 . . 2 . . . A 75 LYS HG2 . 18692 1 864 . 1 1 75 75 LYS HG3 H 1 1.3560 . . 2 . . . A 75 LYS HG3 . 18692 1 865 . 1 1 75 75 LYS HD2 H 1 1.6032 . . 2 . . . A 75 LYS HD2 . 18692 1 866 . 1 1 75 75 LYS HD3 H 1 1.6032 . . 2 . . . A 75 LYS HD3 . 18692 1 867 . 1 1 75 75 LYS CA C 13 55.9270 . . 1 . . . A 75 LYS CA . 18692 1 868 . 1 1 75 75 LYS CB C 13 29.7300 . . 1 . . . A 75 LYS CB . 18692 1 869 . 1 1 75 75 LYS CG C 13 23.8710 . . 1 . . . A 75 LYS CG . 18692 1 870 . 1 1 75 75 LYS CD C 13 28.2340 . . 1 . . . A 75 LYS CD . 18692 1 871 . 1 1 75 75 LYS N N 15 131.8170 . . 1 . . . A 75 LYS N . 18692 1 872 . 1 1 76 76 ALA H H 1 8.2770 . . 1 . . . A 76 ALA H . 18692 1 873 . 1 1 76 76 ALA HA H 1 4.3360 . . 1 . . . A 76 ALA HA . 18692 1 874 . 1 1 76 76 ALA HB1 H 1 1.4120 . . 1 . . . A 76 ALA HB1 . 18692 1 875 . 1 1 76 76 ALA HB2 H 1 1.4120 . . 1 . . . A 76 ALA HB2 . 18692 1 876 . 1 1 76 76 ALA HB3 H 1 1.4120 . . 1 . . . A 76 ALA HB3 . 18692 1 877 . 1 1 76 76 ALA CA C 13 51.7860 . . 1 . . . A 76 ALA CA . 18692 1 878 . 1 1 76 76 ALA CB C 13 19.7470 . . 1 . . . A 76 ALA CB . 18692 1 879 . 1 1 76 76 ALA N N 15 125.3720 . . 1 . . . A 76 ALA N . 18692 1 stop_ save_