data_10045 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10045 _Entry.Title ; Solution structure of homeobox domain of Arabidopsis thaliana hypothetical protein F22K18.140 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-09 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 D. Kaneno . . . 10045 2 N. Tochio . . . 10045 3 S. Koshiba . . . 10045 4 M. Inoue . . . 10045 5 T. Kigawa . . . 10045 6 S. Yokoyama . . . 10045 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10045 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10045 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 326 10045 '15N chemical shifts' 82 10045 '1H chemical shifts' 510 10045 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-13 2006-11-09 original author . 10045 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WH7 'BMRB Entry Tracking System' 10045 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10045 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of homeobox domain of Arabidopsis thaliana hypothetical protein F22K18.140 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Kaneno . . . 10045 1 2 N. Tochio . . . 10045 1 3 S. Koshiba . . . 10045 1 4 M. Inoue . . . 10045 1 5 T. Kigawa . . . 10045 1 6 S. Yokoyama . . . 10045 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10045 _Assembly.ID 1 _Assembly.Name 'ZF-HD homeobox family protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10045 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ZF-HD homeobox family protein' 1 $entity_1 . . yes native no no . . . 10045 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 . PDB 1WH7 . . . . . . 10045 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10045 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGSNPSSSGGTTKRF RTKFTAEQKEKMLAFAERLG WRIQKHDDVAVEQFCAETGV RRQVLKIWMHNNKNSGPSSG ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 PDB 1WH7 . "Solution Structure Of Homeobox Domain Of Arabidopsis Thaliana Hypothetical Protein F22k18.140" . . . . . 100.00 80 100.00 100.00 1.28e-50 . . . . 10045 1 2 no DBJ BAJ34347 . "unnamed protein product [Thellungiella halophila]" . . . . . 86.25 227 97.10 97.10 1.41e-38 . . . . 10045 1 3 no EMBL CAA22997 . "putative protein [Arabidopsis thaliana]" . . . . . 85.00 220 100.00 100.00 3.27e-41 . . . . 10045 1 4 no EMBL CAB79376 . "putative protein [Arabidopsis thaliana]" . . . . . 85.00 220 100.00 100.00 3.27e-41 . . . . 10045 1 5 no GB AAL27510 . "AT4g24660/F22K18_140 [Arabidopsis thaliana]" . . . . . 85.00 220 100.00 100.00 3.27e-41 . . . . 10045 1 6 no GB AAM78073 . "AT4g24660/F22K18_140 [Arabidopsis thaliana]" . . . . . 85.00 220 100.00 100.00 3.27e-41 . . . . 10045 1 7 no GB AEE84939 . "ZF-HD homeobox protein [Arabidopsis thaliana]" . . . . . 85.00 220 100.00 100.00 3.27e-41 . . . . 10045 1 8 no GB EFH43913 . "ATHB22/MEE68 [Arabidopsis lyrata subsp. lyrata]" . . . . . 86.25 214 98.55 98.55 1.90e-39 . . . . 10045 1 9 no GB EOA19177 . "hypothetical protein CARUB_v10007856mg [Capsella rubella]" . . . . . 86.25 224 97.10 97.10 1.09e-38 . . . . 10045 1 10 no REF NP_194197 . "ZF-HD homeobox protein [Arabidopsis thaliana]" . . . . . 85.00 220 100.00 100.00 3.27e-41 . . . . 10045 1 11 no REF XP_002867654 . "ATHB22/MEE68 [Arabidopsis lyrata subsp. lyrata]" . . . . . 86.25 214 98.55 98.55 1.90e-39 . . . . 10045 1 12 no REF XP_006286279 . "hypothetical protein CARUB_v10007856mg [Capsella rubella]" . . . . . 86.25 224 97.10 97.10 1.09e-38 . . . . 10045 1 13 no REF XP_006413402 . "hypothetical protein EUTSA_v10026163mg [Eutrema salsugineum]" . . . . . 86.25 227 97.10 97.10 1.41e-38 . . . . 10045 1 14 no REF XP_010433740 . "PREDICTED: zinc-finger homeodomain protein 2-like [Camelina sativa]" . . . . . 86.25 225 98.55 98.55 2.33e-39 . . . . 10045 1 15 no SP Q9SB61 . "RecName: Full=Zinc-finger homeodomain protein 2; Short=AtZHD2; AltName: Full=Homeobox protein 22; Short=AtHB-22; AltName: Full=" . . . . . 85.00 220 100.00 100.00 3.27e-41 . . . . 10045 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10045 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 . GLY . 10045 1 2 . SER . 10045 1 3 . SER . 10045 1 4 . GLY . 10045 1 5 . SER . 10045 1 6 . SER . 10045 1 7 . GLY . 10045 1 8 . SER . 10045 1 9 . ASN . 10045 1 10 . PRO . 10045 1 11 . SER . 10045 1 12 . SER . 10045 1 13 . SER . 10045 1 14 . GLY . 10045 1 15 . GLY . 10045 1 16 . THR . 10045 1 17 . THR . 10045 1 18 . LYS . 10045 1 19 . ARG . 10045 1 20 . PHE . 10045 1 21 . ARG . 10045 1 22 . THR . 10045 1 23 . LYS . 10045 1 24 . PHE . 10045 1 25 . THR . 10045 1 26 . ALA . 10045 1 27 . GLU . 10045 1 28 . GLN . 10045 1 29 . LYS . 10045 1 30 . GLU . 10045 1 31 . LYS . 10045 1 32 . MET . 10045 1 33 . LEU . 10045 1 34 . ALA . 10045 1 35 . PHE . 10045 1 36 . ALA . 10045 1 37 . GLU . 10045 1 38 . ARG . 10045 1 39 . LEU . 10045 1 40 . GLY . 10045 1 41 . TRP . 10045 1 42 . ARG . 10045 1 43 . ILE . 10045 1 44 . GLN . 10045 1 45 . LYS . 10045 1 46 . HIS . 10045 1 47 . ASP . 10045 1 48 . ASP . 10045 1 49 . VAL . 10045 1 50 . ALA . 10045 1 51 . VAL . 10045 1 52 . GLU . 10045 1 53 . GLN . 10045 1 54 . PHE . 10045 1 55 . CYS . 10045 1 56 . ALA . 10045 1 57 . GLU . 10045 1 58 . THR . 10045 1 59 . GLY . 10045 1 60 . VAL . 10045 1 61 . ARG . 10045 1 62 . ARG . 10045 1 63 . GLN . 10045 1 64 . VAL . 10045 1 65 . LEU . 10045 1 66 . LYS . 10045 1 67 . ILE . 10045 1 68 . TRP . 10045 1 69 . MET . 10045 1 70 . HIS . 10045 1 71 . ASN . 10045 1 72 . ASN . 10045 1 73 . LYS . 10045 1 74 . ASN . 10045 1 75 . SER . 10045 1 76 . GLY . 10045 1 77 . PRO . 10045 1 78 . SER . 10045 1 79 . SER . 10045 1 80 . GLY . 10045 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 10045 1 . SER 2 2 10045 1 . SER 3 3 10045 1 . GLY 4 4 10045 1 . SER 5 5 10045 1 . SER 6 6 10045 1 . GLY 7 7 10045 1 . SER 8 8 10045 1 . ASN 9 9 10045 1 . PRO 10 10 10045 1 . SER 11 11 10045 1 . SER 12 12 10045 1 . SER 13 13 10045 1 . GLY 14 14 10045 1 . GLY 15 15 10045 1 . THR 16 16 10045 1 . THR 17 17 10045 1 . LYS 18 18 10045 1 . ARG 19 19 10045 1 . PHE 20 20 10045 1 . ARG 21 21 10045 1 . THR 22 22 10045 1 . LYS 23 23 10045 1 . PHE 24 24 10045 1 . THR 25 25 10045 1 . ALA 26 26 10045 1 . GLU 27 27 10045 1 . GLN 28 28 10045 1 . LYS 29 29 10045 1 . GLU 30 30 10045 1 . LYS 31 31 10045 1 . MET 32 32 10045 1 . LEU 33 33 10045 1 . ALA 34 34 10045 1 . PHE 35 35 10045 1 . ALA 36 36 10045 1 . GLU 37 37 10045 1 . ARG 38 38 10045 1 . LEU 39 39 10045 1 . GLY 40 40 10045 1 . TRP 41 41 10045 1 . ARG 42 42 10045 1 . ILE 43 43 10045 1 . GLN 44 44 10045 1 . LYS 45 45 10045 1 . HIS 46 46 10045 1 . ASP 47 47 10045 1 . ASP 48 48 10045 1 . VAL 49 49 10045 1 . ALA 50 50 10045 1 . VAL 51 51 10045 1 . GLU 52 52 10045 1 . GLN 53 53 10045 1 . PHE 54 54 10045 1 . CYS 55 55 10045 1 . ALA 56 56 10045 1 . GLU 57 57 10045 1 . THR 58 58 10045 1 . GLY 59 59 10045 1 . VAL 60 60 10045 1 . ARG 61 61 10045 1 . ARG 62 62 10045 1 . GLN 63 63 10045 1 . VAL 64 64 10045 1 . LEU 65 65 10045 1 . LYS 66 66 10045 1 . ILE 67 67 10045 1 . TRP 68 68 10045 1 . MET 69 69 10045 1 . HIS 70 70 10045 1 . ASN 71 71 10045 1 . ASN 72 72 10045 1 . LYS 73 73 10045 1 . ASN 74 74 10045 1 . SER 75 75 10045 1 . GLY 76 76 10045 1 . PRO 77 77 10045 1 . SER 78 78 10045 1 . SER 79 79 10045 1 . GLY 80 80 10045 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 10045 _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_1 . 3702 . . . 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 10045 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 10045 _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_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P030107-41 . . . . . . 10045 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10045 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 10045 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10045 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10045 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10045 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10045 1 6 H2O . . . . . . solvent 90 . . % . . . . 10045 1 7 D2O . . . . . . solvent 10 . . % . . . . 10045 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10045 _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' 120 0.1 mM 10045 1 pH 6.0 0.05 pH 10045 1 pressure 1 0.001 atm 10045 1 temperature 298 0.1 K 10045 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10045 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10045 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10045 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10045 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10045 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10045 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10045 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10045 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10045 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10045 _Software.ID 4 _Software.Name Kujira _Software.Version 0.811 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10045 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10045 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10045 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10045 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10045 5 'structure solution' 10045 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 10045 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10045 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10045 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10045 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10045 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10045 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10045 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . . . . . . . . . 10045 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10045 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10045 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10045 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10045 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10045 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 5 5 SER HA H 1 4.587 0.030 . 1 . . . . 5 SER HA . 10045 1 2 . 1 1 5 5 SER HB2 H 1 3.912 0.030 . 1 . . . . 5 SER HB2 . 10045 1 3 . 1 1 5 5 SER HB3 H 1 3.912 0.030 . 1 . . . . 5 SER HB3 . 10045 1 4 . 1 1 5 5 SER C C 13 174.857 0.300 . 1 . . . . 5 SER C . 10045 1 5 . 1 1 5 5 SER CA C 13 58.348 0.300 . 1 . . . . 5 SER CA . 10045 1 6 . 1 1 5 5 SER CB C 13 63.926 0.300 . 1 . . . . 5 SER CB . 10045 1 7 . 1 1 6 6 SER H H 1 8.597 0.030 . 1 . . . . 6 SER H . 10045 1 8 . 1 1 6 6 SER HA H 1 4.540 0.030 . 1 . . . . 6 SER HA . 10045 1 9 . 1 1 6 6 SER HB2 H 1 3.925 0.030 . 1 . . . . 6 SER HB2 . 10045 1 10 . 1 1 6 6 SER HB3 H 1 3.925 0.030 . 1 . . . . 6 SER HB3 . 10045 1 11 . 1 1 6 6 SER C C 13 175.112 0.300 . 1 . . . . 6 SER C . 10045 1 12 . 1 1 6 6 SER CA C 13 58.625 0.300 . 1 . . . . 6 SER CA . 10045 1 13 . 1 1 6 6 SER CB C 13 63.903 0.300 . 1 . . . . 6 SER CB . 10045 1 14 . 1 1 6 6 SER N N 15 118.141 0.300 . 1 . . . . 6 SER N . 10045 1 15 . 1 1 7 7 GLY H H 1 8.433 0.030 . 1 . . . . 7 GLY H . 10045 1 16 . 1 1 7 7 GLY HA2 H 1 4.035 0.030 . 1 . . . . 7 GLY HA2 . 10045 1 17 . 1 1 7 7 GLY HA3 H 1 4.035 0.030 . 1 . . . . 7 GLY HA3 . 10045 1 18 . 1 1 7 7 GLY C C 13 174.153 0.300 . 1 . . . . 7 GLY C . 10045 1 19 . 1 1 7 7 GLY CA C 13 45.421 0.300 . 1 . . . . 7 GLY CA . 10045 1 20 . 1 1 7 7 GLY N N 15 110.827 0.300 . 1 . . . . 7 GLY N . 10045 1 21 . 1 1 8 8 SER H H 1 8.195 0.030 . 1 . . . . 8 SER H . 10045 1 22 . 1 1 8 8 SER HA H 1 4.483 0.030 . 1 . . . . 8 SER HA . 10045 1 23 . 1 1 8 8 SER HB2 H 1 3.847 0.030 . 1 . . . . 8 SER HB2 . 10045 1 24 . 1 1 8 8 SER HB3 H 1 3.847 0.030 . 1 . . . . 8 SER HB3 . 10045 1 25 . 1 1 8 8 SER C C 13 174.011 0.300 . 1 . . . . 8 SER C . 10045 1 26 . 1 1 8 8 SER CA C 13 58.249 0.300 . 1 . . . . 8 SER CA . 10045 1 27 . 1 1 8 8 SER CB C 13 63.863 0.300 . 1 . . . . 8 SER CB . 10045 1 28 . 1 1 8 8 SER N N 15 115.373 0.300 . 1 . . . . 8 SER N . 10045 1 29 . 1 1 9 9 ASN H H 1 8.504 0.030 . 1 . . . . 9 ASN H . 10045 1 30 . 1 1 9 9 ASN HA H 1 5.032 0.030 . 1 . . . . 9 ASN HA . 10045 1 31 . 1 1 9 9 ASN HB2 H 1 2.881 0.030 . 2 . . . . 9 ASN HB2 . 10045 1 32 . 1 1 9 9 ASN HB3 H 1 2.729 0.030 . 2 . . . . 9 ASN HB3 . 10045 1 33 . 1 1 9 9 ASN HD21 H 1 7.636 0.030 . 2 . . . . 9 ASN HD21 . 10045 1 34 . 1 1 9 9 ASN HD22 H 1 6.964 0.030 . 2 . . . . 9 ASN HD22 . 10045 1 35 . 1 1 9 9 ASN C C 13 173.461 0.300 . 1 . . . . 9 ASN C . 10045 1 36 . 1 1 9 9 ASN CA C 13 51.521 0.300 . 1 . . . . 9 ASN CA . 10045 1 37 . 1 1 9 9 ASN CB C 13 38.995 0.300 . 1 . . . . 9 ASN CB . 10045 1 38 . 1 1 9 9 ASN N N 15 121.361 0.300 . 1 . . . . 9 ASN N . 10045 1 39 . 1 1 9 9 ASN ND2 N 15 113.311 0.300 . 1 . . . . 9 ASN ND2 . 10045 1 40 . 1 1 10 10 PRO HA H 1 4.470 0.030 . 1 . . . . 10 PRO HA . 10045 1 41 . 1 1 10 10 PRO HB2 H 1 2.318 0.030 . 2 . . . . 10 PRO HB2 . 10045 1 42 . 1 1 10 10 PRO HB3 H 1 2.316 0.030 . 2 . . . . 10 PRO HB3 . 10045 1 43 . 1 1 10 10 PRO HG2 H 1 2.018 0.030 . 1 . . . . 10 PRO HG2 . 10045 1 44 . 1 1 10 10 PRO HG3 H 1 2.018 0.030 . 1 . . . . 10 PRO HG3 . 10045 1 45 . 1 1 10 10 PRO HD2 H 1 3.827 0.030 . 2 . . . . 10 PRO HD2 . 10045 1 46 . 1 1 10 10 PRO HD3 H 1 3.761 0.030 . 2 . . . . 10 PRO HD3 . 10045 1 47 . 1 1 10 10 PRO C C 13 177.273 0.300 . 1 . . . . 10 PRO C . 10045 1 48 . 1 1 10 10 PRO CA C 13 63.679 0.300 . 1 . . . . 10 PRO CA . 10045 1 49 . 1 1 10 10 PRO CB C 13 32.118 0.300 . 1 . . . . 10 PRO CB . 10045 1 50 . 1 1 10 10 PRO CG C 13 27.257 0.300 . 1 . . . . 10 PRO CG . 10045 1 51 . 1 1 10 10 PRO CD C 13 50.742 0.300 . 1 . . . . 10 PRO CD . 10045 1 52 . 1 1 11 11 SER H H 1 8.506 0.030 . 1 . . . . 11 SER H . 10045 1 53 . 1 1 11 11 SER HA H 1 4.535 0.030 . 1 . . . . 11 SER HA . 10045 1 54 . 1 1 11 11 SER HB2 H 1 3.912 0.030 . 1 . . . . 11 SER HB2 . 10045 1 55 . 1 1 11 11 SER HB3 H 1 3.912 0.030 . 1 . . . . 11 SER HB3 . 10045 1 56 . 1 1 11 11 SER C C 13 174.699 0.300 . 1 . . . . 11 SER C . 10045 1 57 . 1 1 11 11 SER CA C 13 58.323 0.300 . 1 . . . . 11 SER CA . 10045 1 58 . 1 1 11 11 SER CB C 13 63.844 0.300 . 1 . . . . 11 SER CB . 10045 1 59 . 1 1 11 11 SER N N 15 116.295 0.300 . 1 . . . . 11 SER N . 10045 1 60 . 1 1 12 12 SER H H 1 8.483 0.030 . 1 . . . . 12 SER H . 10045 1 61 . 1 1 12 12 SER HA H 1 4.496 0.030 . 1 . . . . 12 SER HA . 10045 1 62 . 1 1 12 12 SER HB2 H 1 3.899 0.030 . 1 . . . . 12 SER HB2 . 10045 1 63 . 1 1 12 12 SER HB3 H 1 3.899 0.030 . 1 . . . . 12 SER HB3 . 10045 1 64 . 1 1 12 12 SER C C 13 173.995 0.300 . 1 . . . . 12 SER C . 10045 1 65 . 1 1 12 12 SER CA C 13 58.323 0.300 . 1 . . . . 12 SER CA . 10045 1 66 . 1 1 12 12 SER CB C 13 64.091 0.300 . 1 . . . . 12 SER CB . 10045 1 67 . 1 1 12 12 SER N N 15 118.023 0.300 . 1 . . . . 12 SER N . 10045 1 68 . 1 1 13 13 SER H H 1 8.065 0.030 . 1 . . . . 13 SER H . 10045 1 69 . 1 1 13 13 SER HA H 1 4.535 0.030 . 1 . . . . 13 SER HA . 10045 1 70 . 1 1 13 13 SER HB2 H 1 3.925 0.030 . 1 . . . . 13 SER HB2 . 10045 1 71 . 1 1 13 13 SER HB3 H 1 3.925 0.030 . 1 . . . . 13 SER HB3 . 10045 1 72 . 1 1 13 13 SER C C 13 175.112 0.300 . 1 . . . . 13 SER C . 10045 1 73 . 1 1 13 13 SER CA C 13 58.570 0.300 . 1 . . . . 13 SER CA . 10045 1 74 . 1 1 13 13 SER CB C 13 63.762 0.300 . 1 . . . . 13 SER CB . 10045 1 75 . 1 1 13 13 SER N N 15 116.845 0.300 . 1 . . . . 13 SER N . 10045 1 76 . 1 1 14 14 GLY H H 1 8.487 0.030 . 1 . . . . 14 GLY H . 10045 1 77 . 1 1 14 14 GLY HA2 H 1 4.029 0.030 . 1 . . . . 14 GLY HA2 . 10045 1 78 . 1 1 14 14 GLY HA3 H 1 4.029 0.030 . 1 . . . . 14 GLY HA3 . 10045 1 79 . 1 1 14 14 GLY C C 13 174.748 0.300 . 1 . . . . 14 GLY C . 10045 1 80 . 1 1 14 14 GLY CA C 13 45.491 0.300 . 1 . . . . 14 GLY CA . 10045 1 81 . 1 1 14 14 GLY N N 15 110.999 0.300 . 1 . . . . 14 GLY N . 10045 1 82 . 1 1 15 15 GLY H H 1 8.312 0.030 . 1 . . . . 15 GLY H . 10045 1 83 . 1 1 15 15 GLY HA2 H 1 4.055 0.030 . 1 . . . . 15 GLY HA2 . 10045 1 84 . 1 1 15 15 GLY HA3 H 1 4.055 0.030 . 1 . . . . 15 GLY HA3 . 10045 1 85 . 1 1 15 15 GLY C C 13 174.650 0.300 . 1 . . . . 15 GLY C . 10045 1 86 . 1 1 15 15 GLY CA C 13 45.404 0.300 . 1 . . . . 15 GLY CA . 10045 1 87 . 1 1 15 15 GLY N N 15 108.845 0.300 . 1 . . . . 15 GLY N . 10045 1 88 . 1 1 16 16 THR H H 1 8.188 0.030 . 1 . . . . 16 THR H . 10045 1 89 . 1 1 16 16 THR HA H 1 4.443 0.030 . 1 . . . . 16 THR HA . 10045 1 90 . 1 1 16 16 THR HB H 1 4.299 0.030 . 1 . . . . 16 THR HB . 10045 1 91 . 1 1 16 16 THR HG21 H 1 1.227 0.030 . 1 . . . . 16 THR HG2 . 10045 1 92 . 1 1 16 16 THR HG22 H 1 1.227 0.030 . 1 . . . . 16 THR HG2 . 10045 1 93 . 1 1 16 16 THR HG23 H 1 1.227 0.030 . 1 . . . . 16 THR HG2 . 10045 1 94 . 1 1 16 16 THR C C 13 175.052 0.300 . 1 . . . . 16 THR C . 10045 1 95 . 1 1 16 16 THR CA C 13 62.011 0.300 . 1 . . . . 16 THR CA . 10045 1 96 . 1 1 16 16 THR CB C 13 69.808 0.300 . 1 . . . . 16 THR CB . 10045 1 97 . 1 1 16 16 THR CG2 C 13 21.488 0.300 . 1 . . . . 16 THR CG2 . 10045 1 98 . 1 1 16 16 THR N N 15 113.580 0.300 . 1 . . . . 16 THR N . 10045 1 99 . 1 1 17 17 THR H H 1 8.210 0.030 . 1 . . . . 17 THR H . 10045 1 100 . 1 1 17 17 THR HA H 1 4.350 0.030 . 1 . . . . 17 THR HA . 10045 1 101 . 1 1 17 17 THR HB H 1 4.233 0.030 . 1 . . . . 17 THR HB . 10045 1 102 . 1 1 17 17 THR HG21 H 1 1.225 0.030 . 1 . . . . 17 THR HG2 . 10045 1 103 . 1 1 17 17 THR HG22 H 1 1.225 0.030 . 1 . . . . 17 THR HG2 . 10045 1 104 . 1 1 17 17 THR HG23 H 1 1.225 0.030 . 1 . . . . 17 THR HG2 . 10045 1 105 . 1 1 17 17 THR C C 13 174.626 0.300 . 1 . . . . 17 THR C . 10045 1 106 . 1 1 17 17 THR CA C 13 62.275 0.300 . 1 . . . . 17 THR CA . 10045 1 107 . 1 1 17 17 THR CB C 13 69.778 0.300 . 1 . . . . 17 THR CB . 10045 1 108 . 1 1 17 17 THR CG2 C 13 21.653 0.300 . 1 . . . . 17 THR CG2 . 10045 1 109 . 1 1 17 17 THR N N 15 116.752 0.300 . 1 . . . . 17 THR N . 10045 1 110 . 1 1 18 18 LYS H H 1 8.334 0.030 . 1 . . . . 18 LYS H . 10045 1 111 . 1 1 18 18 LYS HA H 1 4.292 0.030 . 1 . . . . 18 LYS HA . 10045 1 112 . 1 1 18 18 LYS HB2 H 1 1.746 0.030 . 1 . . . . 18 LYS HB2 . 10045 1 113 . 1 1 18 18 LYS HB3 H 1 1.746 0.030 . 1 . . . . 18 LYS HB3 . 10045 1 114 . 1 1 18 18 LYS HG2 H 1 1.432 0.030 . 2 . . . . 18 LYS HG2 . 10045 1 115 . 1 1 18 18 LYS HG3 H 1 1.364 0.030 . 2 . . . . 18 LYS HG3 . 10045 1 116 . 1 1 18 18 LYS HD2 H 1 1.666 0.030 . 1 . . . . 18 LYS HD2 . 10045 1 117 . 1 1 18 18 LYS HD3 H 1 1.666 0.030 . 1 . . . . 18 LYS HD3 . 10045 1 118 . 1 1 18 18 LYS HE2 H 1 2.985 0.030 . 1 . . . . 18 LYS HE2 . 10045 1 119 . 1 1 18 18 LYS HE3 H 1 2.985 0.030 . 1 . . . . 18 LYS HE3 . 10045 1 120 . 1 1 18 18 LYS C C 13 176.348 0.300 . 1 . . . . 18 LYS C . 10045 1 121 . 1 1 18 18 LYS CA C 13 56.538 0.300 . 1 . . . . 18 LYS CA . 10045 1 122 . 1 1 18 18 LYS CB C 13 32.919 0.300 . 1 . . . . 18 LYS CB . 10045 1 123 . 1 1 18 18 LYS CG C 13 24.784 0.300 . 1 . . . . 18 LYS CG . 10045 1 124 . 1 1 18 18 LYS CD C 13 28.987 0.300 . 1 . . . . 18 LYS CD . 10045 1 125 . 1 1 18 18 LYS CE C 13 42.172 0.300 . 1 . . . . 18 LYS CE . 10045 1 126 . 1 1 18 18 LYS N N 15 124.116 0.300 . 1 . . . . 18 LYS N . 10045 1 127 . 1 1 19 19 ARG H H 1 8.222 0.030 . 1 . . . . 19 ARG H . 10045 1 128 . 1 1 19 19 ARG HA H 1 4.293 0.030 . 1 . . . . 19 ARG HA . 10045 1 129 . 1 1 19 19 ARG HB2 H 1 1.699 0.030 . 1 . . . . 19 ARG HB2 . 10045 1 130 . 1 1 19 19 ARG HB3 H 1 1.699 0.030 . 1 . . . . 19 ARG HB3 . 10045 1 131 . 1 1 19 19 ARG HG2 H 1 1.524 0.030 . 2 . . . . 19 ARG HG2 . 10045 1 132 . 1 1 19 19 ARG HG3 H 1 1.487 0.030 . 2 . . . . 19 ARG HG3 . 10045 1 133 . 1 1 19 19 ARG HD2 H 1 3.148 0.030 . 1 . . . . 19 ARG HD2 . 10045 1 134 . 1 1 19 19 ARG HD3 H 1 3.148 0.030 . 1 . . . . 19 ARG HD3 . 10045 1 135 . 1 1 19 19 ARG C C 13 175.889 0.300 . 1 . . . . 19 ARG C . 10045 1 136 . 1 1 19 19 ARG CA C 13 56.140 0.300 . 1 . . . . 19 ARG CA . 10045 1 137 . 1 1 19 19 ARG CB C 13 30.901 0.300 . 1 . . . . 19 ARG CB . 10045 1 138 . 1 1 19 19 ARG CG C 13 26.927 0.300 . 1 . . . . 19 ARG CG . 10045 1 139 . 1 1 19 19 ARG CD C 13 43.325 0.300 . 1 . . . . 19 ARG CD . 10045 1 140 . 1 1 19 19 ARG N N 15 121.800 0.300 . 1 . . . . 19 ARG N . 10045 1 141 . 1 1 20 20 PHE H H 1 8.272 0.030 . 1 . . . . 20 PHE H . 10045 1 142 . 1 1 20 20 PHE HA H 1 4.682 0.030 . 1 . . . . 20 PHE HA . 10045 1 143 . 1 1 20 20 PHE HB2 H 1 3.191 0.030 . 2 . . . . 20 PHE HB2 . 10045 1 144 . 1 1 20 20 PHE HB3 H 1 3.050 0.030 . 2 . . . . 20 PHE HB3 . 10045 1 145 . 1 1 20 20 PHE HD1 H 1 7.306 0.030 . 1 . . . . 20 PHE HD1 . 10045 1 146 . 1 1 20 20 PHE HD2 H 1 7.306 0.030 . 1 . . . . 20 PHE HD2 . 10045 1 147 . 1 1 20 20 PHE HE1 H 1 7.385 0.030 . 1 . . . . 20 PHE HE1 . 10045 1 148 . 1 1 20 20 PHE HE2 H 1 7.385 0.030 . 1 . . . . 20 PHE HE2 . 10045 1 149 . 1 1 20 20 PHE HZ H 1 7.348 0.030 . 1 . . . . 20 PHE HZ . 10045 1 150 . 1 1 20 20 PHE C C 13 175.544 0.300 . 1 . . . . 20 PHE C . 10045 1 151 . 1 1 20 20 PHE CA C 13 57.561 0.300 . 1 . . . . 20 PHE CA . 10045 1 152 . 1 1 20 20 PHE CB C 13 39.759 0.300 . 1 . . . . 20 PHE CB . 10045 1 153 . 1 1 20 20 PHE CD1 C 13 131.883 0.300 . 1 . . . . 20 PHE CD1 . 10045 1 154 . 1 1 20 20 PHE CD2 C 13 131.883 0.300 . 1 . . . . 20 PHE CD2 . 10045 1 155 . 1 1 20 20 PHE CE1 C 13 131.628 0.300 . 1 . . . . 20 PHE CE1 . 10045 1 156 . 1 1 20 20 PHE CE2 C 13 131.628 0.300 . 1 . . . . 20 PHE CE2 . 10045 1 157 . 1 1 20 20 PHE CZ C 13 129.770 0.300 . 1 . . . . 20 PHE CZ . 10045 1 158 . 1 1 20 20 PHE N N 15 121.289 0.300 . 1 . . . . 20 PHE N . 10045 1 159 . 1 1 21 21 ARG H H 1 8.333 0.030 . 1 . . . . 21 ARG H . 10045 1 160 . 1 1 21 21 ARG HA H 1 4.414 0.030 . 1 . . . . 21 ARG HA . 10045 1 161 . 1 1 21 21 ARG HB2 H 1 1.868 0.030 . 2 . . . . 21 ARG HB2 . 10045 1 162 . 1 1 21 21 ARG HB3 H 1 1.781 0.030 . 2 . . . . 21 ARG HB3 . 10045 1 163 . 1 1 21 21 ARG HG2 H 1 1.636 0.030 . 2 . . . . 21 ARG HG2 . 10045 1 164 . 1 1 21 21 ARG HG3 H 1 1.577 0.030 . 2 . . . . 21 ARG HG3 . 10045 1 165 . 1 1 21 21 ARG HD2 H 1 3.209 0.030 . 1 . . . . 21 ARG HD2 . 10045 1 166 . 1 1 21 21 ARG HD3 H 1 3.209 0.030 . 1 . . . . 21 ARG HD3 . 10045 1 167 . 1 1 21 21 ARG C C 13 175.999 0.300 . 1 . . . . 21 ARG C . 10045 1 168 . 1 1 21 21 ARG CA C 13 56.104 0.300 . 1 . . . . 21 ARG CA . 10045 1 169 . 1 1 21 21 ARG CB C 13 31.096 0.300 . 1 . . . . 21 ARG CB . 10045 1 170 . 1 1 21 21 ARG CG C 13 27.157 0.300 . 1 . . . . 21 ARG CG . 10045 1 171 . 1 1 21 21 ARG CD C 13 43.408 0.300 . 1 . . . . 21 ARG CD . 10045 1 172 . 1 1 21 21 ARG N N 15 123.117 0.300 . 1 . . . . 21 ARG N . 10045 1 173 . 1 1 22 22 THR H H 1 8.081 0.030 . 1 . . . . 22 THR H . 10045 1 174 . 1 1 22 22 THR HA H 1 4.197 0.030 . 1 . . . . 22 THR HA . 10045 1 175 . 1 1 22 22 THR HB H 1 4.001 0.030 . 1 . . . . 22 THR HB . 10045 1 176 . 1 1 22 22 THR HG21 H 1 1.059 0.030 . 1 . . . . 22 THR HG2 . 10045 1 177 . 1 1 22 22 THR HG22 H 1 1.059 0.030 . 1 . . . . 22 THR HG2 . 10045 1 178 . 1 1 22 22 THR HG23 H 1 1.059 0.030 . 1 . . . . 22 THR HG2 . 10045 1 179 . 1 1 22 22 THR C C 13 173.695 0.300 . 1 . . . . 22 THR C . 10045 1 180 . 1 1 22 22 THR CA C 13 62.164 0.300 . 1 . . . . 22 THR CA . 10045 1 181 . 1 1 22 22 THR CB C 13 69.923 0.300 . 1 . . . . 22 THR CB . 10045 1 182 . 1 1 22 22 THR CG2 C 13 21.900 0.300 . 1 . . . . 22 THR CG2 . 10045 1 183 . 1 1 22 22 THR N N 15 116.425 0.300 . 1 . . . . 22 THR N . 10045 1 184 . 1 1 23 23 LYS H H 1 8.161 0.030 . 1 . . . . 23 LYS H . 10045 1 185 . 1 1 23 23 LYS HA H 1 4.297 0.030 . 1 . . . . 23 LYS HA . 10045 1 186 . 1 1 23 23 LYS HB2 H 1 1.715 0.030 . 2 . . . . 23 LYS HB2 . 10045 1 187 . 1 1 23 23 LYS HB3 H 1 1.621 0.030 . 2 . . . . 23 LYS HB3 . 10045 1 188 . 1 1 23 23 LYS HG2 H 1 1.277 0.030 . 2 . . . . 23 LYS HG2 . 10045 1 189 . 1 1 23 23 LYS HG3 H 1 1.371 0.030 . 2 . . . . 23 LYS HG3 . 10045 1 190 . 1 1 23 23 LYS HD2 H 1 1.669 0.030 . 1 . . . . 23 LYS HD2 . 10045 1 191 . 1 1 23 23 LYS HD3 H 1 1.669 0.030 . 1 . . . . 23 LYS HD3 . 10045 1 192 . 1 1 23 23 LYS HE2 H 1 2.981 0.030 . 1 . . . . 23 LYS HE2 . 10045 1 193 . 1 1 23 23 LYS HE3 H 1 2.981 0.030 . 1 . . . . 23 LYS HE3 . 10045 1 194 . 1 1 23 23 LYS C C 13 175.398 0.300 . 1 . . . . 23 LYS C . 10045 1 195 . 1 1 23 23 LYS CA C 13 55.920 0.300 . 1 . . . . 23 LYS CA . 10045 1 196 . 1 1 23 23 LYS CB C 13 33.383 0.300 . 1 . . . . 23 LYS CB . 10045 1 197 . 1 1 23 23 LYS CG C 13 24.620 0.300 . 1 . . . . 23 LYS CG . 10045 1 198 . 1 1 23 23 LYS CD C 13 29.069 0.300 . 1 . . . . 23 LYS CD . 10045 1 199 . 1 1 23 23 LYS CE C 13 42.172 0.300 . 1 . . . . 23 LYS CE . 10045 1 200 . 1 1 23 23 LYS N N 15 124.543 0.300 . 1 . . . . 23 LYS N . 10045 1 201 . 1 1 24 24 PHE H H 1 8.028 0.030 . 1 . . . . 24 PHE H . 10045 1 202 . 1 1 24 24 PHE HA H 1 5.026 0.030 . 1 . . . . 24 PHE HA . 10045 1 203 . 1 1 24 24 PHE HB2 H 1 3.193 0.030 . 2 . . . . 24 PHE HB2 . 10045 1 204 . 1 1 24 24 PHE HB3 H 1 2.694 0.030 . 2 . . . . 24 PHE HB3 . 10045 1 205 . 1 1 24 24 PHE HD1 H 1 7.151 0.030 . 1 . . . . 24 PHE HD1 . 10045 1 206 . 1 1 24 24 PHE HD2 H 1 7.151 0.030 . 1 . . . . 24 PHE HD2 . 10045 1 207 . 1 1 24 24 PHE HE1 H 1 7.272 0.030 . 1 . . . . 24 PHE HE1 . 10045 1 208 . 1 1 24 24 PHE HE2 H 1 7.272 0.030 . 1 . . . . 24 PHE HE2 . 10045 1 209 . 1 1 24 24 PHE HZ H 1 7.159 0.030 . 1 . . . . 24 PHE HZ . 10045 1 210 . 1 1 24 24 PHE C C 13 176.848 0.300 . 1 . . . . 24 PHE C . 10045 1 211 . 1 1 24 24 PHE CA C 13 56.634 0.300 . 1 . . . . 24 PHE CA . 10045 1 212 . 1 1 24 24 PHE CB C 13 41.325 0.300 . 1 . . . . 24 PHE CB . 10045 1 213 . 1 1 24 24 PHE CD1 C 13 131.826 0.300 . 1 . . . . 24 PHE CD1 . 10045 1 214 . 1 1 24 24 PHE CD2 C 13 131.826 0.300 . 1 . . . . 24 PHE CD2 . 10045 1 215 . 1 1 24 24 PHE CE1 C 13 131.471 0.300 . 1 . . . . 24 PHE CE1 . 10045 1 216 . 1 1 24 24 PHE CE2 C 13 131.471 0.300 . 1 . . . . 24 PHE CE2 . 10045 1 217 . 1 1 24 24 PHE CZ C 13 129.270 0.300 . 1 . . . . 24 PHE CZ . 10045 1 218 . 1 1 24 24 PHE N N 15 120.419 0.300 . 1 . . . . 24 PHE N . 10045 1 219 . 1 1 25 25 THR H H 1 8.973 0.030 . 1 . . . . 25 THR H . 10045 1 220 . 1 1 25 25 THR HA H 1 4.484 0.030 . 1 . . . . 25 THR HA . 10045 1 221 . 1 1 25 25 THR HB H 1 4.817 0.030 . 1 . . . . 25 THR HB . 10045 1 222 . 1 1 25 25 THR HG21 H 1 1.345 0.030 . 1 . . . . 25 THR HG2 . 10045 1 223 . 1 1 25 25 THR HG22 H 1 1.345 0.030 . 1 . . . . 25 THR HG2 . 10045 1 224 . 1 1 25 25 THR HG23 H 1 1.345 0.030 . 1 . . . . 25 THR HG2 . 10045 1 225 . 1 1 25 25 THR C C 13 175.253 0.300 . 1 . . . . 25 THR C . 10045 1 226 . 1 1 25 25 THR CA C 13 60.859 0.300 . 1 . . . . 25 THR CA . 10045 1 227 . 1 1 25 25 THR CB C 13 70.908 0.300 . 1 . . . . 25 THR CB . 10045 1 228 . 1 1 25 25 THR CG2 C 13 21.900 0.300 . 1 . . . . 25 THR CG2 . 10045 1 229 . 1 1 25 25 THR N N 15 113.735 0.300 . 1 . . . . 25 THR N . 10045 1 230 . 1 1 26 26 ALA H H 1 9.012 0.030 . 1 . . . . 26 ALA H . 10045 1 231 . 1 1 26 26 ALA HA H 1 4.127 0.030 . 1 . . . . 26 ALA HA . 10045 1 232 . 1 1 26 26 ALA HB1 H 1 1.541 0.030 . 1 . . . . 26 ALA HB . 10045 1 233 . 1 1 26 26 ALA HB2 H 1 1.541 0.030 . 1 . . . . 26 ALA HB . 10045 1 234 . 1 1 26 26 ALA HB3 H 1 1.541 0.030 . 1 . . . . 26 ALA HB . 10045 1 235 . 1 1 26 26 ALA C C 13 180.451 0.300 . 1 . . . . 26 ALA C . 10045 1 236 . 1 1 26 26 ALA CA C 13 55.726 0.300 . 1 . . . . 26 ALA CA . 10045 1 237 . 1 1 26 26 ALA CB C 13 18.004 0.300 . 1 . . . . 26 ALA CB . 10045 1 238 . 1 1 26 26 ALA N N 15 124.163 0.300 . 1 . . . . 26 ALA N . 10045 1 239 . 1 1 27 27 GLU H H 1 8.648 0.030 . 1 . . . . 27 GLU H . 10045 1 240 . 1 1 27 27 GLU HA H 1 4.106 0.030 . 1 . . . . 27 GLU HA . 10045 1 241 . 1 1 27 27 GLU HB2 H 1 1.919 0.030 . 2 . . . . 27 GLU HB2 . 10045 1 242 . 1 1 27 27 GLU HB3 H 1 2.120 0.030 . 2 . . . . 27 GLU HB3 . 10045 1 243 . 1 1 27 27 GLU HG2 H 1 2.329 0.030 . 2 . . . . 27 GLU HG2 . 10045 1 244 . 1 1 27 27 GLU HG3 H 1 2.282 0.030 . 2 . . . . 27 GLU HG3 . 10045 1 245 . 1 1 27 27 GLU C C 13 179.185 0.300 . 1 . . . . 27 GLU C . 10045 1 246 . 1 1 27 27 GLU CA C 13 59.695 0.300 . 1 . . . . 27 GLU CA . 10045 1 247 . 1 1 27 27 GLU CB C 13 29.418 0.300 . 1 . . . . 27 GLU CB . 10045 1 248 . 1 1 27 27 GLU CG C 13 36.729 0.300 . 1 . . . . 27 GLU CG . 10045 1 249 . 1 1 27 27 GLU N N 15 117.866 0.300 . 1 . . . . 27 GLU N . 10045 1 250 . 1 1 28 28 GLN H H 1 7.866 0.030 . 1 . . . . 28 GLN H . 10045 1 251 . 1 1 28 28 GLN HA H 1 3.706 0.030 . 1 . . . . 28 GLN HA . 10045 1 252 . 1 1 28 28 GLN HB2 H 1 2.520 0.030 . 2 . . . . 28 GLN HB2 . 10045 1 253 . 1 1 28 28 GLN HB3 H 1 1.645 0.030 . 2 . . . . 28 GLN HB3 . 10045 1 254 . 1 1 28 28 GLN HG2 H 1 2.625 0.030 . 2 . . . . 28 GLN HG2 . 10045 1 255 . 1 1 28 28 GLN HG3 H 1 2.212 0.030 . 2 . . . . 28 GLN HG3 . 10045 1 256 . 1 1 28 28 GLN HE21 H 1 7.462 0.030 . 2 . . . . 28 GLN HE21 . 10045 1 257 . 1 1 28 28 GLN HE22 H 1 6.812 0.030 . 2 . . . . 28 GLN HE22 . 10045 1 258 . 1 1 28 28 GLN C C 13 178.126 0.300 . 1 . . . . 28 GLN C . 10045 1 259 . 1 1 28 28 GLN CA C 13 59.554 0.300 . 1 . . . . 28 GLN CA . 10045 1 260 . 1 1 28 28 GLN CB C 13 28.593 0.300 . 1 . . . . 28 GLN CB . 10045 1 261 . 1 1 28 28 GLN CG C 13 35.332 0.300 . 1 . . . . 28 GLN CG . 10045 1 262 . 1 1 28 28 GLN N N 15 118.589 0.300 . 1 . . . . 28 GLN N . 10045 1 263 . 1 1 28 28 GLN NE2 N 15 110.496 0.300 . 1 . . . . 28 GLN NE2 . 10045 1 264 . 1 1 29 29 LYS H H 1 8.383 0.030 . 1 . . . . 29 LYS H . 10045 1 265 . 1 1 29 29 LYS HA H 1 3.556 0.030 . 1 . . . . 29 LYS HA . 10045 1 266 . 1 1 29 29 LYS HB2 H 1 1.983 0.030 . 2 . . . . 29 LYS HB2 . 10045 1 267 . 1 1 29 29 LYS HB3 H 1 1.886 0.030 . 2 . . . . 29 LYS HB3 . 10045 1 268 . 1 1 29 29 LYS HG2 H 1 1.568 0.030 . 2 . . . . 29 LYS HG2 . 10045 1 269 . 1 1 29 29 LYS HG3 H 1 1.367 0.030 . 2 . . . . 29 LYS HG3 . 10045 1 270 . 1 1 29 29 LYS HD2 H 1 1.856 0.030 . 1 . . . . 29 LYS HD2 . 10045 1 271 . 1 1 29 29 LYS HD3 H 1 1.856 0.030 . 1 . . . . 29 LYS HD3 . 10045 1 272 . 1 1 29 29 LYS HE2 H 1 3.120 0.030 . 2 . . . . 29 LYS HE2 . 10045 1 273 . 1 1 29 29 LYS HE3 H 1 3.074 0.030 . 2 . . . . 29 LYS HE3 . 10045 1 274 . 1 1 29 29 LYS C C 13 178.321 0.300 . 1 . . . . 29 LYS C . 10045 1 275 . 1 1 29 29 LYS CA C 13 60.198 0.300 . 1 . . . . 29 LYS CA . 10045 1 276 . 1 1 29 29 LYS CB C 13 31.849 0.300 . 1 . . . . 29 LYS CB . 10045 1 277 . 1 1 29 29 LYS CG C 13 25.581 0.300 . 1 . . . . 29 LYS CG . 10045 1 278 . 1 1 29 29 LYS CD C 13 29.463 0.300 . 1 . . . . 29 LYS CD . 10045 1 279 . 1 1 29 29 LYS CE C 13 42.026 0.300 . 1 . . . . 29 LYS CE . 10045 1 280 . 1 1 29 29 LYS N N 15 118.605 0.300 . 1 . . . . 29 LYS N . 10045 1 281 . 1 1 30 30 GLU H H 1 7.976 0.030 . 1 . . . . 30 GLU H . 10045 1 282 . 1 1 30 30 GLU HA H 1 4.054 0.030 . 1 . . . . 30 GLU HA . 10045 1 283 . 1 1 30 30 GLU HB2 H 1 2.174 0.030 . 1 . . . . 30 GLU HB2 . 10045 1 284 . 1 1 30 30 GLU HB3 H 1 2.174 0.030 . 1 . . . . 30 GLU HB3 . 10045 1 285 . 1 1 30 30 GLU HG2 H 1 2.482 0.030 . 2 . . . . 30 GLU HG2 . 10045 1 286 . 1 1 30 30 GLU HG3 H 1 2.348 0.030 . 2 . . . . 30 GLU HG3 . 10045 1 287 . 1 1 30 30 GLU C C 13 179.952 0.300 . 1 . . . . 30 GLU C . 10045 1 288 . 1 1 30 30 GLU CA C 13 59.695 0.300 . 1 . . . . 30 GLU CA . 10045 1 289 . 1 1 30 30 GLU CB C 13 29.541 0.300 . 1 . . . . 30 GLU CB . 10045 1 290 . 1 1 30 30 GLU CG C 13 36.156 0.300 . 1 . . . . 30 GLU CG . 10045 1 291 . 1 1 30 30 GLU N N 15 118.393 0.300 . 1 . . . . 30 GLU N . 10045 1 292 . 1 1 31 31 LYS H H 1 7.878 0.030 . 1 . . . . 31 LYS H . 10045 1 293 . 1 1 31 31 LYS HA H 1 4.190 0.030 . 1 . . . . 31 LYS HA . 10045 1 294 . 1 1 31 31 LYS HB2 H 1 1.973 0.030 . 2 . . . . 31 LYS HB2 . 10045 1 295 . 1 1 31 31 LYS HB3 H 1 1.924 0.030 . 2 . . . . 31 LYS HB3 . 10045 1 296 . 1 1 31 31 LYS HG2 H 1 1.744 0.030 . 2 . . . . 31 LYS HG2 . 10045 1 297 . 1 1 31 31 LYS HG3 H 1 1.517 0.030 . 2 . . . . 31 LYS HG3 . 10045 1 298 . 1 1 31 31 LYS HD2 H 1 1.517 0.030 . 2 . . . . 31 LYS HD2 . 10045 1 299 . 1 1 31 31 LYS HD3 H 1 1.594 0.030 . 2 . . . . 31 LYS HD3 . 10045 1 300 . 1 1 31 31 LYS HE2 H 1 2.898 0.030 . 1 . . . . 31 LYS HE2 . 10045 1 301 . 1 1 31 31 LYS HE3 H 1 2.898 0.030 . 1 . . . . 31 LYS HE3 . 10045 1 302 . 1 1 31 31 LYS C C 13 179.984 0.300 . 1 . . . . 31 LYS C . 10045 1 303 . 1 1 31 31 LYS CA C 13 59.554 0.300 . 1 . . . . 31 LYS CA . 10045 1 304 . 1 1 31 31 LYS CB C 13 32.576 0.300 . 1 . . . . 31 LYS CB . 10045 1 305 . 1 1 31 31 LYS CG C 13 26.185 0.300 . 1 . . . . 31 LYS CG . 10045 1 306 . 1 1 31 31 LYS CD C 13 29.481 0.300 . 1 . . . . 31 LYS CD . 10045 1 307 . 1 1 31 31 LYS CE C 13 42.257 0.300 . 1 . . . . 31 LYS CE . 10045 1 308 . 1 1 31 31 LYS N N 15 119.040 0.300 . 1 . . . . 31 LYS N . 10045 1 309 . 1 1 32 32 MET H H 1 8.712 0.030 . 1 . . . . 32 MET H . 10045 1 310 . 1 1 32 32 MET HA H 1 3.723 0.030 . 1 . . . . 32 MET HA . 10045 1 311 . 1 1 32 32 MET HB2 H 1 1.320 0.030 . 2 . . . . 32 MET HB2 . 10045 1 312 . 1 1 32 32 MET HB3 H 1 1.059 0.030 . 2 . . . . 32 MET HB3 . 10045 1 313 . 1 1 32 32 MET HG2 H 1 2.341 0.030 . 2 . . . . 32 MET HG2 . 10045 1 314 . 1 1 32 32 MET HG3 H 1 1.762 0.030 . 2 . . . . 32 MET HG3 . 10045 1 315 . 1 1 32 32 MET HE1 H 1 0.123 0.030 . 1 . . . . 32 MET HE . 10045 1 316 . 1 1 32 32 MET HE2 H 1 0.123 0.030 . 1 . . . . 32 MET HE . 10045 1 317 . 1 1 32 32 MET HE3 H 1 0.123 0.030 . 1 . . . . 32 MET HE . 10045 1 318 . 1 1 32 32 MET C C 13 176.750 0.300 . 1 . . . . 32 MET C . 10045 1 319 . 1 1 32 32 MET CA C 13 60.242 0.300 . 1 . . . . 32 MET CA . 10045 1 320 . 1 1 32 32 MET CB C 13 33.057 0.300 . 1 . . . . 32 MET CB . 10045 1 321 . 1 1 32 32 MET CG C 13 31.605 0.300 . 1 . . . . 32 MET CG . 10045 1 322 . 1 1 32 32 MET CE C 13 13.797 0.300 . 1 . . . . 32 MET CE . 10045 1 323 . 1 1 32 32 MET N N 15 120.969 0.300 . 1 . . . . 32 MET N . 10045 1 324 . 1 1 33 33 LEU H H 1 8.117 0.030 . 1 . . . . 33 LEU H . 10045 1 325 . 1 1 33 33 LEU HA H 1 4.191 0.030 . 1 . . . . 33 LEU HA . 10045 1 326 . 1 1 33 33 LEU HB2 H 1 1.927 0.030 . 1 . . . . 33 LEU HB2 . 10045 1 327 . 1 1 33 33 LEU HB3 H 1 1.927 0.030 . 1 . . . . 33 LEU HB3 . 10045 1 328 . 1 1 33 33 LEU HG H 1 1.914 0.030 . 1 . . . . 33 LEU HG . 10045 1 329 . 1 1 33 33 LEU HD11 H 1 1.258 0.030 . 1 . . . . 33 LEU HD1 . 10045 1 330 . 1 1 33 33 LEU HD12 H 1 1.258 0.030 . 1 . . . . 33 LEU HD1 . 10045 1 331 . 1 1 33 33 LEU HD13 H 1 1.258 0.030 . 1 . . . . 33 LEU HD1 . 10045 1 332 . 1 1 33 33 LEU HD21 H 1 1.328 0.030 . 1 . . . . 33 LEU HD2 . 10045 1 333 . 1 1 33 33 LEU HD22 H 1 1.328 0.030 . 1 . . . . 33 LEU HD2 . 10045 1 334 . 1 1 33 33 LEU HD23 H 1 1.328 0.030 . 1 . . . . 33 LEU HD2 . 10045 1 335 . 1 1 33 33 LEU C C 13 178.199 0.300 . 1 . . . . 33 LEU C . 10045 1 336 . 1 1 33 33 LEU CA C 13 58.654 0.300 . 1 . . . . 33 LEU CA . 10045 1 337 . 1 1 33 33 LEU CB C 13 42.190 0.300 . 1 . . . . 33 LEU CB . 10045 1 338 . 1 1 33 33 LEU CG C 13 27.504 0.300 . 1 . . . . 33 LEU CG . 10045 1 339 . 1 1 33 33 LEU CD1 C 13 25.024 0.300 . 2 . . . . 33 LEU CD1 . 10045 1 340 . 1 1 33 33 LEU CD2 C 13 24.802 0.300 . 2 . . . . 33 LEU CD2 . 10045 1 341 . 1 1 33 33 LEU N N 15 119.863 0.300 . 1 . . . . 33 LEU N . 10045 1 342 . 1 1 34 34 ALA H H 1 7.413 0.030 . 1 . . . . 34 ALA H . 10045 1 343 . 1 1 34 34 ALA HA H 1 4.168 0.030 . 1 . . . . 34 ALA HA . 10045 1 344 . 1 1 34 34 ALA HB1 H 1 1.544 0.030 . 1 . . . . 34 ALA HB . 10045 1 345 . 1 1 34 34 ALA HB2 H 1 1.544 0.030 . 1 . . . . 34 ALA HB . 10045 1 346 . 1 1 34 34 ALA HB3 H 1 1.544 0.030 . 1 . . . . 34 ALA HB . 10045 1 347 . 1 1 34 34 ALA C C 13 180.549 0.300 . 1 . . . . 34 ALA C . 10045 1 348 . 1 1 34 34 ALA CA C 13 54.774 0.300 . 1 . . . . 34 ALA CA . 10045 1 349 . 1 1 34 34 ALA CB C 13 18.169 0.300 . 1 . . . . 34 ALA CB . 10045 1 350 . 1 1 34 34 ALA N N 15 118.967 0.300 . 1 . . . . 34 ALA N . 10045 1 351 . 1 1 35 35 PHE H H 1 8.069 0.030 . 1 . . . . 35 PHE H . 10045 1 352 . 1 1 35 35 PHE HA H 1 4.169 0.030 . 1 . . . . 35 PHE HA . 10045 1 353 . 1 1 35 35 PHE HB2 H 1 2.829 0.030 . 2 . . . . 35 PHE HB2 . 10045 1 354 . 1 1 35 35 PHE HB3 H 1 2.230 0.030 . 2 . . . . 35 PHE HB3 . 10045 1 355 . 1 1 35 35 PHE HD1 H 1 6.512 0.030 . 1 . . . . 35 PHE HD1 . 10045 1 356 . 1 1 35 35 PHE HD2 H 1 6.512 0.030 . 1 . . . . 35 PHE HD2 . 10045 1 357 . 1 1 35 35 PHE HE1 H 1 6.905 0.030 . 1 . . . . 35 PHE HE1 . 10045 1 358 . 1 1 35 35 PHE HE2 H 1 6.905 0.030 . 1 . . . . 35 PHE HE2 . 10045 1 359 . 1 1 35 35 PHE HZ H 1 6.719 0.030 . 1 . . . . 35 PHE HZ . 10045 1 360 . 1 1 35 35 PHE C C 13 176.251 0.300 . 1 . . . . 35 PHE C . 10045 1 361 . 1 1 35 35 PHE CA C 13 60.348 0.300 . 1 . . . . 35 PHE CA . 10045 1 362 . 1 1 35 35 PHE CB C 13 40.336 0.300 . 1 . . . . 35 PHE CB . 10045 1 363 . 1 1 35 35 PHE CD1 C 13 130.913 0.300 . 1 . . . . 35 PHE CD1 . 10045 1 364 . 1 1 35 35 PHE CD2 C 13 130.913 0.300 . 1 . . . . 35 PHE CD2 . 10045 1 365 . 1 1 35 35 PHE CE1 C 13 130.300 0.300 . 1 . . . . 35 PHE CE1 . 10045 1 366 . 1 1 35 35 PHE CE2 C 13 130.300 0.300 . 1 . . . . 35 PHE CE2 . 10045 1 367 . 1 1 35 35 PHE CZ C 13 128.337 0.300 . 1 . . . . 35 PHE CZ . 10045 1 368 . 1 1 35 35 PHE N N 15 120.699 0.300 . 1 . . . . 35 PHE N . 10045 1 369 . 1 1 36 36 ALA H H 1 8.554 0.030 . 1 . . . . 36 ALA H . 10045 1 370 . 1 1 36 36 ALA HA H 1 3.185 0.030 . 1 . . . . 36 ALA HA . 10045 1 371 . 1 1 36 36 ALA HB1 H 1 0.259 0.030 . 1 . . . . 36 ALA HB . 10045 1 372 . 1 1 36 36 ALA HB2 H 1 0.259 0.030 . 1 . . . . 36 ALA HB . 10045 1 373 . 1 1 36 36 ALA HB3 H 1 0.259 0.030 . 1 . . . . 36 ALA HB . 10045 1 374 . 1 1 36 36 ALA C C 13 179.786 0.300 . 1 . . . . 36 ALA C . 10045 1 375 . 1 1 36 36 ALA CA C 13 55.100 0.300 . 1 . . . . 36 ALA CA . 10045 1 376 . 1 1 36 36 ALA CB C 13 16.892 0.300 . 1 . . . . 36 ALA CB . 10045 1 377 . 1 1 36 36 ALA N N 15 120.760 0.300 . 1 . . . . 36 ALA N . 10045 1 378 . 1 1 37 37 GLU H H 1 7.760 0.030 . 1 . . . . 37 GLU H . 10045 1 379 . 1 1 37 37 GLU HA H 1 3.811 0.030 . 1 . . . . 37 GLU HA . 10045 1 380 . 1 1 37 37 GLU HB2 H 1 2.206 0.030 . 2 . . . . 37 GLU HB2 . 10045 1 381 . 1 1 37 37 GLU HB3 H 1 2.052 0.030 . 2 . . . . 37 GLU HB3 . 10045 1 382 . 1 1 37 37 GLU HG2 H 1 2.522 0.030 . 2 . . . . 37 GLU HG2 . 10045 1 383 . 1 1 37 37 GLU HG3 H 1 2.479 0.030 . 2 . . . . 37 GLU HG3 . 10045 1 384 . 1 1 37 37 GLU C C 13 180.244 0.300 . 1 . . . . 37 GLU C . 10045 1 385 . 1 1 37 37 GLU CA C 13 59.342 0.300 . 1 . . . . 37 GLU CA . 10045 1 386 . 1 1 37 37 GLU CB C 13 29.500 0.300 . 1 . . . . 37 GLU CB . 10045 1 387 . 1 1 37 37 GLU CG C 13 36.321 0.300 . 1 . . . . 37 GLU CG . 10045 1 388 . 1 1 37 37 GLU N N 15 115.822 0.300 . 1 . . . . 37 GLU N . 10045 1 389 . 1 1 38 38 ARG H H 1 7.555 0.030 . 1 . . . . 38 ARG H . 10045 1 390 . 1 1 38 38 ARG HA H 1 4.021 0.030 . 1 . . . . 38 ARG HA . 10045 1 391 . 1 1 38 38 ARG HB2 H 1 1.929 0.030 . 1 . . . . 38 ARG HB2 . 10045 1 392 . 1 1 38 38 ARG HB3 H 1 1.929 0.030 . 1 . . . . 38 ARG HB3 . 10045 1 393 . 1 1 38 38 ARG HG2 H 1 1.771 0.030 . 2 . . . . 38 ARG HG2 . 10045 1 394 . 1 1 38 38 ARG HG3 H 1 1.568 0.030 . 2 . . . . 38 ARG HG3 . 10045 1 395 . 1 1 38 38 ARG HD2 H 1 3.207 0.030 . 2 . . . . 38 ARG HD2 . 10045 1 396 . 1 1 38 38 ARG HD3 H 1 3.179 0.030 . 2 . . . . 38 ARG HD3 . 10045 1 397 . 1 1 38 38 ARG C C 13 178.393 0.300 . 1 . . . . 38 ARG C . 10045 1 398 . 1 1 38 38 ARG CA C 13 59.128 0.300 . 1 . . . . 38 ARG CA . 10045 1 399 . 1 1 38 38 ARG CB C 13 29.623 0.300 . 1 . . . . 38 ARG CB . 10045 1 400 . 1 1 38 38 ARG CG C 13 27.210 0.300 . 1 . . . . 38 ARG CG . 10045 1 401 . 1 1 38 38 ARG CD C 13 43.985 0.300 . 1 . . . . 38 ARG CD . 10045 1 402 . 1 1 38 38 ARG N N 15 121.740 0.300 . 1 . . . . 38 ARG N . 10045 1 403 . 1 1 39 39 LEU H H 1 7.564 0.030 . 1 . . . . 39 LEU H . 10045 1 404 . 1 1 39 39 LEU HA H 1 4.064 0.030 . 1 . . . . 39 LEU HA . 10045 1 405 . 1 1 39 39 LEU HB2 H 1 2.074 0.030 . 2 . . . . 39 LEU HB2 . 10045 1 406 . 1 1 39 39 LEU HB3 H 1 1.044 0.030 . 2 . . . . 39 LEU HB3 . 10045 1 407 . 1 1 39 39 LEU HG H 1 0.984 0.030 . 1 . . . . 39 LEU HG . 10045 1 408 . 1 1 39 39 LEU HD11 H 1 0.053 0.030 . 1 . . . . 39 LEU HD1 . 10045 1 409 . 1 1 39 39 LEU HD12 H 1 0.053 0.030 . 1 . . . . 39 LEU HD1 . 10045 1 410 . 1 1 39 39 LEU HD13 H 1 0.053 0.030 . 1 . . . . 39 LEU HD1 . 10045 1 411 . 1 1 39 39 LEU HD21 H 1 0.455 0.030 . 1 . . . . 39 LEU HD2 . 10045 1 412 . 1 1 39 39 LEU HD22 H 1 0.455 0.030 . 1 . . . . 39 LEU HD2 . 10045 1 413 . 1 1 39 39 LEU HD23 H 1 0.455 0.030 . 1 . . . . 39 LEU HD2 . 10045 1 414 . 1 1 39 39 LEU C C 13 177.759 0.300 . 1 . . . . 39 LEU C . 10045 1 415 . 1 1 39 39 LEU CA C 13 55.416 0.300 . 1 . . . . 39 LEU CA . 10045 1 416 . 1 1 39 39 LEU CB C 13 41.124 0.300 . 1 . . . . 39 LEU CB . 10045 1 417 . 1 1 39 39 LEU CG C 13 27.257 0.300 . 1 . . . . 39 LEU CG . 10045 1 418 . 1 1 39 39 LEU CD1 C 13 24.867 0.300 . 2 . . . . 39 LEU CD1 . 10045 1 419 . 1 1 39 39 LEU CD2 C 13 22.553 0.300 . 2 . . . . 39 LEU CD2 . 10045 1 420 . 1 1 39 39 LEU N N 15 118.733 0.300 . 1 . . . . 39 LEU N . 10045 1 421 . 1 1 40 40 GLY H H 1 7.744 0.030 . 1 . . . . 40 GLY H . 10045 1 422 . 1 1 40 40 GLY HA2 H 1 3.971 0.030 . 1 . . . . 40 GLY HA2 . 10045 1 423 . 1 1 40 40 GLY HA3 H 1 3.971 0.030 . 1 . . . . 40 GLY HA3 . 10045 1 424 . 1 1 40 40 GLY C C 13 175.828 0.300 . 1 . . . . 40 GLY C . 10045 1 425 . 1 1 40 40 GLY CA C 13 47.308 0.300 . 1 . . . . 40 GLY CA . 10045 1 426 . 1 1 40 40 GLY N N 15 108.810 0.300 . 1 . . . . 40 GLY N . 10045 1 427 . 1 1 41 41 TRP H H 1 8.631 0.030 . 1 . . . . 41 TRP H . 10045 1 428 . 1 1 41 41 TRP HA H 1 3.563 0.030 . 1 . . . . 41 TRP HA . 10045 1 429 . 1 1 41 41 TRP HB2 H 1 3.516 0.030 . 2 . . . . 41 TRP HB2 . 10045 1 430 . 1 1 41 41 TRP HB3 H 1 3.305 0.030 . 2 . . . . 41 TRP HB3 . 10045 1 431 . 1 1 41 41 TRP HD1 H 1 7.090 0.030 . 1 . . . . 41 TRP HD1 . 10045 1 432 . 1 1 41 41 TRP HE1 H 1 10.406 0.030 . 1 . . . . 41 TRP HE1 . 10045 1 433 . 1 1 41 41 TRP HE3 H 1 7.477 0.030 . 1 . . . . 41 TRP HE3 . 10045 1 434 . 1 1 41 41 TRP HZ2 H 1 7.527 0.030 . 1 . . . . 41 TRP HZ2 . 10045 1 435 . 1 1 41 41 TRP HZ3 H 1 6.462 0.030 . 1 . . . . 41 TRP HZ3 . 10045 1 436 . 1 1 41 41 TRP HH2 H 1 6.975 0.030 . 1 . . . . 41 TRP HH2 . 10045 1 437 . 1 1 41 41 TRP C C 13 173.376 0.300 . 1 . . . . 41 TRP C . 10045 1 438 . 1 1 41 41 TRP CA C 13 59.560 0.300 . 1 . . . . 41 TRP CA . 10045 1 439 . 1 1 41 41 TRP CB C 13 24.584 0.300 . 1 . . . . 41 TRP CB . 10045 1 440 . 1 1 41 41 TRP CD1 C 13 127.238 0.300 . 1 . . . . 41 TRP CD1 . 10045 1 441 . 1 1 41 41 TRP CE3 C 13 119.704 0.300 . 1 . . . . 41 TRP CE3 . 10045 1 442 . 1 1 41 41 TRP CZ2 C 13 114.724 0.300 . 1 . . . . 41 TRP CZ2 . 10045 1 443 . 1 1 41 41 TRP CZ3 C 13 122.343 0.300 . 1 . . . . 41 TRP CZ3 . 10045 1 444 . 1 1 41 41 TRP CH2 C 13 124.854 0.300 . 1 . . . . 41 TRP CH2 . 10045 1 445 . 1 1 41 41 TRP N N 15 110.408 0.300 . 1 . . . . 41 TRP N . 10045 1 446 . 1 1 41 41 TRP NE1 N 15 129.960 0.300 . 1 . . . . 41 TRP NE1 . 10045 1 447 . 1 1 42 42 ARG H H 1 7.202 0.030 . 1 . . . . 42 ARG H . 10045 1 448 . 1 1 42 42 ARG HA H 1 4.588 0.030 . 1 . . . . 42 ARG HA . 10045 1 449 . 1 1 42 42 ARG HB2 H 1 1.871 0.030 . 2 . . . . 42 ARG HB2 . 10045 1 450 . 1 1 42 42 ARG HB3 H 1 1.762 0.030 . 2 . . . . 42 ARG HB3 . 10045 1 451 . 1 1 42 42 ARG HG2 H 1 1.562 0.030 . 1 . . . . 42 ARG HG2 . 10045 1 452 . 1 1 42 42 ARG HG3 H 1 1.562 0.030 . 1 . . . . 42 ARG HG3 . 10045 1 453 . 1 1 42 42 ARG HD2 H 1 3.151 0.030 . 1 . . . . 42 ARG HD2 . 10045 1 454 . 1 1 42 42 ARG HD3 H 1 3.151 0.030 . 1 . . . . 42 ARG HD3 . 10045 1 455 . 1 1 42 42 ARG C C 13 172.477 0.300 . 1 . . . . 42 ARG C . 10045 1 456 . 1 1 42 42 ARG CA C 13 54.915 0.300 . 1 . . . . 42 ARG CA . 10045 1 457 . 1 1 42 42 ARG CB C 13 32.960 0.300 . 1 . . . . 42 ARG CB . 10045 1 458 . 1 1 42 42 ARG CG C 13 25.866 0.300 . 1 . . . . 42 ARG CG . 10045 1 459 . 1 1 42 42 ARG CD C 13 43.902 0.300 . 1 . . . . 42 ARG CD . 10045 1 460 . 1 1 42 42 ARG N N 15 115.655 0.300 . 1 . . . . 42 ARG N . 10045 1 461 . 1 1 43 43 ILE H H 1 8.414 0.030 . 1 . . . . 43 ILE H . 10045 1 462 . 1 1 43 43 ILE HA H 1 4.259 0.030 . 1 . . . . 43 ILE HA . 10045 1 463 . 1 1 43 43 ILE HB H 1 1.676 0.030 . 1 . . . . 43 ILE HB . 10045 1 464 . 1 1 43 43 ILE HG12 H 1 0.726 0.030 . 2 . . . . 43 ILE HG12 . 10045 1 465 . 1 1 43 43 ILE HG13 H 1 1.534 0.030 . 2 . . . . 43 ILE HG13 . 10045 1 466 . 1 1 43 43 ILE HG21 H 1 0.864 0.030 . 1 . . . . 43 ILE HG2 . 10045 1 467 . 1 1 43 43 ILE HG22 H 1 0.864 0.030 . 1 . . . . 43 ILE HG2 . 10045 1 468 . 1 1 43 43 ILE HG23 H 1 0.864 0.030 . 1 . . . . 43 ILE HG2 . 10045 1 469 . 1 1 43 43 ILE HD11 H 1 0.819 0.030 . 1 . . . . 43 ILE HD1 . 10045 1 470 . 1 1 43 43 ILE HD12 H 1 0.819 0.030 . 1 . . . . 43 ILE HD1 . 10045 1 471 . 1 1 43 43 ILE HD13 H 1 0.819 0.030 . 1 . . . . 43 ILE HD1 . 10045 1 472 . 1 1 43 43 ILE C C 13 176.496 0.300 . 1 . . . . 43 ILE C . 10045 1 473 . 1 1 43 43 ILE CA C 13 61.146 0.300 . 1 . . . . 43 ILE CA . 10045 1 474 . 1 1 43 43 ILE CB C 13 39.322 0.300 . 1 . . . . 43 ILE CB . 10045 1 475 . 1 1 43 43 ILE CG1 C 13 27.764 0.300 . 1 . . . . 43 ILE CG1 . 10045 1 476 . 1 1 43 43 ILE CG2 C 13 18.592 0.300 . 1 . . . . 43 ILE CG2 . 10045 1 477 . 1 1 43 43 ILE CD1 C 13 13.569 0.300 . 1 . . . . 43 ILE CD1 . 10045 1 478 . 1 1 43 43 ILE N N 15 119.156 0.300 . 1 . . . . 43 ILE N . 10045 1 479 . 1 1 44 44 GLN H H 1 10.055 0.030 . 1 . . . . 44 GLN H . 10045 1 480 . 1 1 44 44 GLN HA H 1 4.650 0.030 . 1 . . . . 44 GLN HA . 10045 1 481 . 1 1 44 44 GLN HB2 H 1 2.110 0.030 . 2 . . . . 44 GLN HB2 . 10045 1 482 . 1 1 44 44 GLN HB3 H 1 1.433 0.030 . 2 . . . . 44 GLN HB3 . 10045 1 483 . 1 1 44 44 GLN HG2 H 1 2.358 0.030 . 2 . . . . 44 GLN HG2 . 10045 1 484 . 1 1 44 44 GLN HG3 H 1 2.091 0.030 . 2 . . . . 44 GLN HG3 . 10045 1 485 . 1 1 44 44 GLN HE21 H 1 8.366 0.030 . 2 . . . . 44 GLN HE21 . 10045 1 486 . 1 1 44 44 GLN HE22 H 1 7.007 0.030 . 2 . . . . 44 GLN HE22 . 10045 1 487 . 1 1 44 44 GLN C C 13 177.749 0.300 . 1 . . . . 44 GLN C . 10045 1 488 . 1 1 44 44 GLN CA C 13 54.456 0.300 . 1 . . . . 44 GLN CA . 10045 1 489 . 1 1 44 44 GLN CB C 13 31.661 0.300 . 1 . . . . 44 GLN CB . 10045 1 490 . 1 1 44 44 GLN CG C 13 35.070 0.300 . 1 . . . . 44 GLN CG . 10045 1 491 . 1 1 44 44 GLN N N 15 129.131 0.300 . 1 . . . . 44 GLN N . 10045 1 492 . 1 1 44 44 GLN NE2 N 15 114.113 0.300 . 1 . . . . 44 GLN NE2 . 10045 1 493 . 1 1 45 45 LYS H H 1 8.981 0.030 . 1 . . . . 45 LYS H . 10045 1 494 . 1 1 45 45 LYS HA H 1 4.070 0.030 . 1 . . . . 45 LYS HA . 10045 1 495 . 1 1 45 45 LYS HB2 H 1 1.929 0.030 . 1 . . . . 45 LYS HB2 . 10045 1 496 . 1 1 45 45 LYS HB3 H 1 1.929 0.030 . 1 . . . . 45 LYS HB3 . 10045 1 497 . 1 1 45 45 LYS HG2 H 1 1.485 0.030 . 1 . . . . 45 LYS HG2 . 10045 1 498 . 1 1 45 45 LYS HG3 H 1 1.485 0.030 . 1 . . . . 45 LYS HG3 . 10045 1 499 . 1 1 45 45 LYS HE2 H 1 3.027 0.030 . 1 . . . . 45 LYS HE2 . 10045 1 500 . 1 1 45 45 LYS HE3 H 1 3.027 0.030 . 1 . . . . 45 LYS HE3 . 10045 1 501 . 1 1 45 45 LYS C C 13 176.326 0.300 . 1 . . . . 45 LYS C . 10045 1 502 . 1 1 45 45 LYS CA C 13 59.824 0.300 . 1 . . . . 45 LYS CA . 10045 1 503 . 1 1 45 45 LYS CB C 13 31.624 0.300 . 1 . . . . 45 LYS CB . 10045 1 504 . 1 1 45 45 LYS CG C 13 24.712 0.300 . 1 . . . . 45 LYS CG . 10045 1 505 . 1 1 45 45 LYS CD C 13 28.740 0.300 . 1 . . . . 45 LYS CD . 10045 1 506 . 1 1 45 45 LYS CE C 13 42.172 0.300 . 1 . . . . 45 LYS CE . 10045 1 507 . 1 1 45 45 LYS N N 15 124.104 0.300 . 1 . . . . 45 LYS N . 10045 1 508 . 1 1 46 46 HIS H H 1 7.865 0.030 . 1 . . . . 46 HIS H . 10045 1 509 . 1 1 46 46 HIS HA H 1 4.664 0.030 . 1 . . . . 46 HIS HA . 10045 1 510 . 1 1 46 46 HIS HB2 H 1 3.448 0.030 . 2 . . . . 46 HIS HB2 . 10045 1 511 . 1 1 46 46 HIS HB3 H 1 3.117 0.030 . 2 . . . . 46 HIS HB3 . 10045 1 512 . 1 1 46 46 HIS HD2 H 1 7.087 0.030 . 1 . . . . 46 HIS HD2 . 10045 1 513 . 1 1 46 46 HIS HE1 H 1 7.955 0.030 . 1 . . . . 46 HIS HE1 . 10045 1 514 . 1 1 46 46 HIS C C 13 175.947 0.300 . 1 . . . . 46 HIS C . 10045 1 515 . 1 1 46 46 HIS CA C 13 57.067 0.300 . 1 . . . . 46 HIS CA . 10045 1 516 . 1 1 46 46 HIS CB C 13 28.929 0.300 . 1 . . . . 46 HIS CB . 10045 1 517 . 1 1 46 46 HIS CD2 C 13 119.470 0.300 . 1 . . . . 46 HIS CD2 . 10045 1 518 . 1 1 46 46 HIS CE1 C 13 137.771 0.300 . 1 . . . . 46 HIS CE1 . 10045 1 519 . 1 1 46 46 HIS N N 15 112.097 0.300 . 1 . . . . 46 HIS N . 10045 1 520 . 1 1 47 47 ASP H H 1 7.769 0.030 . 1 . . . . 47 ASP H . 10045 1 521 . 1 1 47 47 ASP HA H 1 4.950 0.030 . 1 . . . . 47 ASP HA . 10045 1 522 . 1 1 47 47 ASP HB2 H 1 2.915 0.030 . 2 . . . . 47 ASP HB2 . 10045 1 523 . 1 1 47 47 ASP HB3 H 1 2.823 0.030 . 2 . . . . 47 ASP HB3 . 10045 1 524 . 1 1 47 47 ASP C C 13 175.484 0.300 . 1 . . . . 47 ASP C . 10045 1 525 . 1 1 47 47 ASP CA C 13 55.197 0.300 . 1 . . . . 47 ASP CA . 10045 1 526 . 1 1 47 47 ASP CB C 13 42.240 0.300 . 1 . . . . 47 ASP CB . 10045 1 527 . 1 1 47 47 ASP N N 15 120.098 0.300 . 1 . . . . 47 ASP N . 10045 1 528 . 1 1 48 48 ASP H H 1 7.532 0.030 . 1 . . . . 48 ASP H . 10045 1 529 . 1 1 48 48 ASP HA H 1 4.239 0.030 . 1 . . . . 48 ASP HA . 10045 1 530 . 1 1 48 48 ASP HB2 H 1 2.901 0.030 . 2 . . . . 48 ASP HB2 . 10045 1 531 . 1 1 48 48 ASP HB3 H 1 2.790 0.030 . 2 . . . . 48 ASP HB3 . 10045 1 532 . 1 1 48 48 ASP C C 13 177.955 0.300 . 1 . . . . 48 ASP C . 10045 1 533 . 1 1 48 48 ASP CA C 13 59.448 0.300 . 1 . . . . 48 ASP CA . 10045 1 534 . 1 1 48 48 ASP CB C 13 41.325 0.300 . 1 . . . . 48 ASP CB . 10045 1 535 . 1 1 48 48 ASP N N 15 120.009 0.300 . 1 . . . . 48 ASP N . 10045 1 536 . 1 1 49 49 VAL H H 1 8.352 0.030 . 1 . . . . 49 VAL H . 10045 1 537 . 1 1 49 49 VAL HA H 1 3.781 0.030 . 1 . . . . 49 VAL HA . 10045 1 538 . 1 1 49 49 VAL HB H 1 2.111 0.030 . 1 . . . . 49 VAL HB . 10045 1 539 . 1 1 49 49 VAL HG11 H 1 1.113 0.030 . 1 . . . . 49 VAL HG1 . 10045 1 540 . 1 1 49 49 VAL HG12 H 1 1.113 0.030 . 1 . . . . 49 VAL HG1 . 10045 1 541 . 1 1 49 49 VAL HG13 H 1 1.113 0.030 . 1 . . . . 49 VAL HG1 . 10045 1 542 . 1 1 49 49 VAL HG21 H 1 0.996 0.030 . 1 . . . . 49 VAL HG2 . 10045 1 543 . 1 1 49 49 VAL HG22 H 1 0.996 0.030 . 1 . . . . 49 VAL HG2 . 10045 1 544 . 1 1 49 49 VAL HG23 H 1 0.996 0.030 . 1 . . . . 49 VAL HG2 . 10045 1 545 . 1 1 49 49 VAL C C 13 178.211 0.300 . 1 . . . . 49 VAL C . 10045 1 546 . 1 1 49 49 VAL CA C 13 66.715 0.300 . 1 . . . . 49 VAL CA . 10045 1 547 . 1 1 49 49 VAL CB C 13 31.560 0.300 . 1 . . . . 49 VAL CB . 10045 1 548 . 1 1 49 49 VAL CG1 C 13 22.724 0.300 . 2 . . . . 49 VAL CG1 . 10045 1 549 . 1 1 49 49 VAL CG2 C 13 21.000 0.300 . 2 . . . . 49 VAL CG2 . 10045 1 550 . 1 1 49 49 VAL N N 15 119.012 0.300 . 1 . . . . 49 VAL N . 10045 1 551 . 1 1 50 50 ALA H H 1 8.156 0.030 . 1 . . . . 50 ALA H . 10045 1 552 . 1 1 50 50 ALA HA H 1 4.311 0.030 . 1 . . . . 50 ALA HA . 10045 1 553 . 1 1 50 50 ALA HB1 H 1 1.711 0.030 . 1 . . . . 50 ALA HB . 10045 1 554 . 1 1 50 50 ALA HB2 H 1 1.711 0.030 . 1 . . . . 50 ALA HB . 10045 1 555 . 1 1 50 50 ALA HB3 H 1 1.711 0.030 . 1 . . . . 50 ALA HB . 10045 1 556 . 1 1 50 50 ALA C C 13 181.741 0.300 . 1 . . . . 50 ALA C . 10045 1 557 . 1 1 50 50 ALA CA C 13 55.127 0.300 . 1 . . . . 50 ALA CA . 10045 1 558 . 1 1 50 50 ALA CB C 13 18.144 0.300 . 1 . . . . 50 ALA CB . 10045 1 559 . 1 1 50 50 ALA N N 15 123.465 0.300 . 1 . . . . 50 ALA N . 10045 1 560 . 1 1 51 51 VAL H H 1 8.879 0.030 . 1 . . . . 51 VAL H . 10045 1 561 . 1 1 51 51 VAL HA H 1 3.839 0.030 . 1 . . . . 51 VAL HA . 10045 1 562 . 1 1 51 51 VAL HB H 1 2.360 0.030 . 1 . . . . 51 VAL HB . 10045 1 563 . 1 1 51 51 VAL HG11 H 1 1.187 0.030 . 1 . . . . 51 VAL HG1 . 10045 1 564 . 1 1 51 51 VAL HG12 H 1 1.187 0.030 . 1 . . . . 51 VAL HG1 . 10045 1 565 . 1 1 51 51 VAL HG13 H 1 1.187 0.030 . 1 . . . . 51 VAL HG1 . 10045 1 566 . 1 1 51 51 VAL HG21 H 1 1.025 0.030 . 1 . . . . 51 VAL HG2 . 10045 1 567 . 1 1 51 51 VAL HG22 H 1 1.025 0.030 . 1 . . . . 51 VAL HG2 . 10045 1 568 . 1 1 51 51 VAL HG23 H 1 1.025 0.030 . 1 . . . . 51 VAL HG2 . 10045 1 569 . 1 1 51 51 VAL C C 13 177.456 0.300 . 1 . . . . 51 VAL C . 10045 1 570 . 1 1 51 51 VAL CA C 13 66.774 0.300 . 1 . . . . 51 VAL CA . 10045 1 571 . 1 1 51 51 VAL CB C 13 32.055 0.300 . 1 . . . . 51 VAL CB . 10045 1 572 . 1 1 51 51 VAL CG1 C 13 24.174 0.300 . 2 . . . . 51 VAL CG1 . 10045 1 573 . 1 1 51 51 VAL CG2 C 13 22.261 0.300 . 2 . . . . 51 VAL CG2 . 10045 1 574 . 1 1 51 51 VAL N N 15 119.519 0.300 . 1 . . . . 51 VAL N . 10045 1 575 . 1 1 52 52 GLU H H 1 8.563 0.030 . 1 . . . . 52 GLU H . 10045 1 576 . 1 1 52 52 GLU HA H 1 4.021 0.030 . 1 . . . . 52 GLU HA . 10045 1 577 . 1 1 52 52 GLU HB2 H 1 2.213 0.030 . 1 . . . . 52 GLU HB2 . 10045 1 578 . 1 1 52 52 GLU HB3 H 1 2.213 0.030 . 1 . . . . 52 GLU HB3 . 10045 1 579 . 1 1 52 52 GLU HG2 H 1 2.405 0.030 . 1 . . . . 52 GLU HG2 . 10045 1 580 . 1 1 52 52 GLU HG3 H 1 2.405 0.030 . 1 . . . . 52 GLU HG3 . 10045 1 581 . 1 1 52 52 GLU C C 13 180.134 0.300 . 1 . . . . 52 GLU C . 10045 1 582 . 1 1 52 52 GLU CA C 13 59.818 0.300 . 1 . . . . 52 GLU CA . 10045 1 583 . 1 1 52 52 GLU CB C 13 29.129 0.300 . 1 . . . . 52 GLU CB . 10045 1 584 . 1 1 52 52 GLU CG C 13 35.991 0.300 . 1 . . . . 52 GLU CG . 10045 1 585 . 1 1 52 52 GLU N N 15 120.947 0.300 . 1 . . . . 52 GLU N . 10045 1 586 . 1 1 53 53 GLN H H 1 8.259 0.030 . 1 . . . . 53 GLN H . 10045 1 587 . 1 1 53 53 GLN HA H 1 4.096 0.030 . 1 . . . . 53 GLN HA . 10045 1 588 . 1 1 53 53 GLN HB2 H 1 2.225 0.030 . 2 . . . . 53 GLN HB2 . 10045 1 589 . 1 1 53 53 GLN HB3 H 1 2.116 0.030 . 2 . . . . 53 GLN HB3 . 10045 1 590 . 1 1 53 53 GLN HG2 H 1 2.567 0.030 . 2 . . . . 53 GLN HG2 . 10045 1 591 . 1 1 53 53 GLN HG3 H 1 2.382 0.030 . 2 . . . . 53 GLN HG3 . 10045 1 592 . 1 1 53 53 GLN HE21 H 1 7.629 0.030 . 2 . . . . 53 GLN HE21 . 10045 1 593 . 1 1 53 53 GLN HE22 H 1 6.803 0.030 . 2 . . . . 53 GLN HE22 . 10045 1 594 . 1 1 53 53 GLN C C 13 177.785 0.300 . 1 . . . . 53 GLN C . 10045 1 595 . 1 1 53 53 GLN CA C 13 58.990 0.300 . 1 . . . . 53 GLN CA . 10045 1 596 . 1 1 53 53 GLN CB C 13 28.156 0.300 . 1 . . . . 53 GLN CB . 10045 1 597 . 1 1 53 53 GLN CG C 13 33.688 0.300 . 1 . . . . 53 GLN CG . 10045 1 598 . 1 1 53 53 GLN N N 15 119.014 0.300 . 1 . . . . 53 GLN N . 10045 1 599 . 1 1 53 53 GLN NE2 N 15 112.017 0.300 . 1 . . . . 53 GLN NE2 . 10045 1 600 . 1 1 54 54 PHE H H 1 8.246 0.030 . 1 . . . . 54 PHE H . 10045 1 601 . 1 1 54 54 PHE HA H 1 3.975 0.030 . 1 . . . . 54 PHE HA . 10045 1 602 . 1 1 54 54 PHE HB2 H 1 2.695 0.030 . 2 . . . . 54 PHE HB2 . 10045 1 603 . 1 1 54 54 PHE HB3 H 1 2.445 0.030 . 2 . . . . 54 PHE HB3 . 10045 1 604 . 1 1 54 54 PHE HD1 H 1 6.816 0.030 . 1 . . . . 54 PHE HD1 . 10045 1 605 . 1 1 54 54 PHE HD2 H 1 6.816 0.030 . 1 . . . . 54 PHE HD2 . 10045 1 606 . 1 1 54 54 PHE HE1 H 1 6.824 0.030 . 1 . . . . 54 PHE HE1 . 10045 1 607 . 1 1 54 54 PHE HE2 H 1 6.824 0.030 . 1 . . . . 54 PHE HE2 . 10045 1 608 . 1 1 54 54 PHE HZ H 1 6.581 0.030 . 1 . . . . 54 PHE HZ . 10045 1 609 . 1 1 54 54 PHE C C 13 179.313 0.300 . 1 . . . . 54 PHE C . 10045 1 610 . 1 1 54 54 PHE CA C 13 61.777 0.300 . 1 . . . . 54 PHE CA . 10045 1 611 . 1 1 54 54 PHE CB C 13 39.677 0.300 . 1 . . . . 54 PHE CB . 10045 1 612 . 1 1 54 54 PHE CD1 C 13 131.940 0.300 . 1 . . . . 54 PHE CD1 . 10045 1 613 . 1 1 54 54 PHE CD2 C 13 131.940 0.300 . 1 . . . . 54 PHE CD2 . 10045 1 614 . 1 1 54 54 PHE CE1 C 13 130.478 0.300 . 1 . . . . 54 PHE CE1 . 10045 1 615 . 1 1 54 54 PHE CE2 C 13 130.478 0.300 . 1 . . . . 54 PHE CE2 . 10045 1 616 . 1 1 54 54 PHE CZ C 13 127.785 0.300 . 1 . . . . 54 PHE CZ . 10045 1 617 . 1 1 54 54 PHE N N 15 121.527 0.300 . 1 . . . . 54 PHE N . 10045 1 618 . 1 1 55 55 CYS H H 1 8.999 0.030 . 1 . . . . 55 CYS H . 10045 1 619 . 1 1 55 55 CYS HA H 1 3.900 0.030 . 1 . . . . 55 CYS HA . 10045 1 620 . 1 1 55 55 CYS HB2 H 1 3.344 0.030 . 2 . . . . 55 CYS HB2 . 10045 1 621 . 1 1 55 55 CYS HB3 H 1 2.877 0.030 . 2 . . . . 55 CYS HB3 . 10045 1 622 . 1 1 55 55 CYS C C 13 177.443 0.300 . 1 . . . . 55 CYS C . 10045 1 623 . 1 1 55 55 CYS CA C 13 64.594 0.300 . 1 . . . . 55 CYS CA . 10045 1 624 . 1 1 55 55 CYS CB C 13 27.739 0.300 . 1 . . . . 55 CYS CB . 10045 1 625 . 1 1 55 55 CYS N N 15 121.360 0.300 . 1 . . . . 55 CYS N . 10045 1 626 . 1 1 56 56 ALA H H 1 7.866 0.030 . 1 . . . . 56 ALA H . 10045 1 627 . 1 1 56 56 ALA HA H 1 4.091 0.030 . 1 . . . . 56 ALA HA . 10045 1 628 . 1 1 56 56 ALA HB1 H 1 1.505 0.030 . 1 . . . . 56 ALA HB . 10045 1 629 . 1 1 56 56 ALA HB2 H 1 1.505 0.030 . 1 . . . . 56 ALA HB . 10045 1 630 . 1 1 56 56 ALA HB3 H 1 1.505 0.030 . 1 . . . . 56 ALA HB . 10045 1 631 . 1 1 56 56 ALA C C 13 180.029 0.300 . 1 . . . . 56 ALA C . 10045 1 632 . 1 1 56 56 ALA CA C 13 54.835 0.300 . 1 . . . . 56 ALA CA . 10045 1 633 . 1 1 56 56 ALA CB C 13 18.169 0.300 . 1 . . . . 56 ALA CB . 10045 1 634 . 1 1 56 56 ALA N N 15 122.325 0.300 . 1 . . . . 56 ALA N . 10045 1 635 . 1 1 57 57 GLU H H 1 7.945 0.030 . 1 . . . . 57 GLU H . 10045 1 636 . 1 1 57 57 GLU HA H 1 4.009 0.030 . 1 . . . . 57 GLU HA . 10045 1 637 . 1 1 57 57 GLU HB2 H 1 2.024 0.030 . 2 . . . . 57 GLU HB2 . 10045 1 638 . 1 1 57 57 GLU HB3 H 1 1.876 0.030 . 2 . . . . 57 GLU HB3 . 10045 1 639 . 1 1 57 57 GLU HG2 H 1 2.342 0.030 . 2 . . . . 57 GLU HG2 . 10045 1 640 . 1 1 57 57 GLU HG3 H 1 2.128 0.030 . 2 . . . . 57 GLU HG3 . 10045 1 641 . 1 1 57 57 GLU C C 13 178.621 0.300 . 1 . . . . 57 GLU C . 10045 1 642 . 1 1 57 57 GLU CA C 13 58.643 0.300 . 1 . . . . 57 GLU CA . 10045 1 643 . 1 1 57 57 GLU CB C 13 30.160 0.300 . 1 . . . . 57 GLU CB . 10045 1 644 . 1 1 57 57 GLU CG C 13 36.239 0.300 . 1 . . . . 57 GLU CG . 10045 1 645 . 1 1 57 57 GLU N N 15 116.754 0.300 . 1 . . . . 57 GLU N . 10045 1 646 . 1 1 58 58 THR H H 1 7.730 0.030 . 1 . . . . 58 THR H . 10045 1 647 . 1 1 58 58 THR HA H 1 4.075 0.030 . 1 . . . . 58 THR HA . 10045 1 648 . 1 1 58 58 THR HB H 1 3.604 0.030 . 1 . . . . 58 THR HB . 10045 1 649 . 1 1 58 58 THR HG21 H 1 0.646 0.030 . 1 . . . . 58 THR HG2 . 10045 1 650 . 1 1 58 58 THR HG22 H 1 0.646 0.030 . 1 . . . . 58 THR HG2 . 10045 1 651 . 1 1 58 58 THR HG23 H 1 0.646 0.030 . 1 . . . . 58 THR HG2 . 10045 1 652 . 1 1 58 58 THR C C 13 176.265 0.300 . 1 . . . . 58 THR C . 10045 1 653 . 1 1 58 58 THR CA C 13 63.015 0.300 . 1 . . . . 58 THR CA . 10045 1 654 . 1 1 58 58 THR CB C 13 71.089 0.300 . 1 . . . . 58 THR CB . 10045 1 655 . 1 1 58 58 THR CG2 C 13 21.433 0.300 . 1 . . . . 58 THR CG2 . 10045 1 656 . 1 1 58 58 THR N N 15 107.530 0.300 . 1 . . . . 58 THR N . 10045 1 657 . 1 1 59 59 GLY H H 1 7.878 0.030 . 1 . . . . 59 GLY H . 10045 1 658 . 1 1 59 59 GLY HA2 H 1 4.101 0.030 . 2 . . . . 59 GLY HA2 . 10045 1 659 . 1 1 59 59 GLY HA3 H 1 3.768 0.030 . 2 . . . . 59 GLY HA3 . 10045 1 660 . 1 1 59 59 GLY C C 13 174.007 0.300 . 1 . . . . 59 GLY C . 10045 1 661 . 1 1 59 59 GLY CA C 13 45.933 0.300 . 1 . . . . 59 GLY CA . 10045 1 662 . 1 1 59 59 GLY N N 15 111.492 0.300 . 1 . . . . 59 GLY N . 10045 1 663 . 1 1 60 60 VAL H H 1 7.404 0.030 . 1 . . . . 60 VAL H . 10045 1 664 . 1 1 60 60 VAL HA H 1 4.168 0.030 . 1 . . . . 60 VAL HA . 10045 1 665 . 1 1 60 60 VAL HB H 1 1.890 0.030 . 1 . . . . 60 VAL HB . 10045 1 666 . 1 1 60 60 VAL HG11 H 1 0.985 0.030 . 1 . . . . 60 VAL HG1 . 10045 1 667 . 1 1 60 60 VAL HG12 H 1 0.985 0.030 . 1 . . . . 60 VAL HG1 . 10045 1 668 . 1 1 60 60 VAL HG13 H 1 0.985 0.030 . 1 . . . . 60 VAL HG1 . 10045 1 669 . 1 1 60 60 VAL HG21 H 1 0.826 0.030 . 1 . . . . 60 VAL HG2 . 10045 1 670 . 1 1 60 60 VAL HG22 H 1 0.826 0.030 . 1 . . . . 60 VAL HG2 . 10045 1 671 . 1 1 60 60 VAL HG23 H 1 0.826 0.030 . 1 . . . . 60 VAL HG2 . 10045 1 672 . 1 1 60 60 VAL C C 13 174.777 0.300 . 1 . . . . 60 VAL C . 10045 1 673 . 1 1 60 60 VAL CA C 13 61.283 0.300 . 1 . . . . 60 VAL CA . 10045 1 674 . 1 1 60 60 VAL CB C 13 33.526 0.300 . 1 . . . . 60 VAL CB . 10045 1 675 . 1 1 60 60 VAL CG1 C 13 21.390 0.300 . 2 . . . . 60 VAL CG1 . 10045 1 676 . 1 1 60 60 VAL CG2 C 13 21.079 0.300 . 2 . . . . 60 VAL CG2 . 10045 1 677 . 1 1 60 60 VAL N N 15 120.673 0.300 . 1 . . . . 60 VAL N . 10045 1 678 . 1 1 61 61 ARG H H 1 8.292 0.030 . 1 . . . . 61 ARG H . 10045 1 679 . 1 1 61 61 ARG HA H 1 4.407 0.030 . 1 . . . . 61 ARG HA . 10045 1 680 . 1 1 61 61 ARG HB2 H 1 1.806 0.030 . 2 . . . . 61 ARG HB2 . 10045 1 681 . 1 1 61 61 ARG HB3 H 1 2.167 0.030 . 2 . . . . 61 ARG HB3 . 10045 1 682 . 1 1 61 61 ARG HG2 H 1 1.895 0.030 . 2 . . . . 61 ARG HG2 . 10045 1 683 . 1 1 61 61 ARG HG3 H 1 1.815 0.030 . 2 . . . . 61 ARG HG3 . 10045 1 684 . 1 1 61 61 ARG HD2 H 1 3.294 0.030 . 1 . . . . 61 ARG HD2 . 10045 1 685 . 1 1 61 61 ARG HD3 H 1 3.294 0.030 . 1 . . . . 61 ARG HD3 . 10045 1 686 . 1 1 61 61 ARG C C 13 178.256 0.300 . 1 . . . . 61 ARG C . 10045 1 687 . 1 1 61 61 ARG CA C 13 55.893 0.300 . 1 . . . . 61 ARG CA . 10045 1 688 . 1 1 61 61 ARG CB C 13 31.107 0.300 . 1 . . . . 61 ARG CB . 10045 1 689 . 1 1 61 61 ARG CG C 13 28.062 0.300 . 1 . . . . 61 ARG CG . 10045 1 690 . 1 1 61 61 ARG CD C 13 43.408 0.300 . 1 . . . . 61 ARG CD . 10045 1 691 . 1 1 61 61 ARG N N 15 123.837 0.300 . 1 . . . . 61 ARG N . 10045 1 692 . 1 1 62 62 ARG H H 1 9.182 0.030 . 1 . . . . 62 ARG H . 10045 1 693 . 1 1 62 62 ARG HA H 1 3.870 0.030 . 1 . . . . 62 ARG HA . 10045 1 694 . 1 1 62 62 ARG HB2 H 1 2.020 0.030 . 2 . . . . 62 ARG HB2 . 10045 1 695 . 1 1 62 62 ARG HB3 H 1 1.851 0.030 . 2 . . . . 62 ARG HB3 . 10045 1 696 . 1 1 62 62 ARG HG2 H 1 1.607 0.030 . 2 . . . . 62 ARG HG2 . 10045 1 697 . 1 1 62 62 ARG HG3 H 1 1.466 0.030 . 2 . . . . 62 ARG HG3 . 10045 1 698 . 1 1 62 62 ARG HD2 H 1 3.250 0.030 . 1 . . . . 62 ARG HD2 . 10045 1 699 . 1 1 62 62 ARG HD3 H 1 3.250 0.030 . 1 . . . . 62 ARG HD3 . 10045 1 700 . 1 1 62 62 ARG C C 13 177.722 0.300 . 1 . . . . 62 ARG C . 10045 1 701 . 1 1 62 62 ARG CA C 13 60.970 0.300 . 1 . . . . 62 ARG CA . 10045 1 702 . 1 1 62 62 ARG CB C 13 30.188 0.300 . 1 . . . . 62 ARG CB . 10045 1 703 . 1 1 62 62 ARG CG C 13 27.458 0.300 . 1 . . . . 62 ARG CG . 10045 1 704 . 1 1 62 62 ARG CD C 13 43.930 0.300 . 1 . . . . 62 ARG CD . 10045 1 705 . 1 1 62 62 ARG N N 15 125.440 0.300 . 1 . . . . 62 ARG N . 10045 1 706 . 1 1 63 63 GLN H H 1 9.056 0.030 . 1 . . . . 63 GLN H . 10045 1 707 . 1 1 63 63 GLN HA H 1 4.094 0.030 . 1 . . . . 63 GLN HA . 10045 1 708 . 1 1 63 63 GLN HB2 H 1 2.154 0.030 . 2 . . . . 63 GLN HB2 . 10045 1 709 . 1 1 63 63 GLN HB3 H 1 2.050 0.030 . 2 . . . . 63 GLN HB3 . 10045 1 710 . 1 1 63 63 GLN HG2 H 1 2.547 0.030 . 1 . . . . 63 GLN HG2 . 10045 1 711 . 1 1 63 63 GLN HG3 H 1 2.547 0.030 . 1 . . . . 63 GLN HG3 . 10045 1 712 . 1 1 63 63 GLN HE21 H 1 7.547 0.030 . 2 . . . . 63 GLN HE21 . 10045 1 713 . 1 1 63 63 GLN HE22 H 1 7.001 0.030 . 2 . . . . 63 GLN HE22 . 10045 1 714 . 1 1 63 63 GLN C C 13 178.235 0.300 . 1 . . . . 63 GLN C . 10045 1 715 . 1 1 63 63 GLN CA C 13 59.307 0.300 . 1 . . . . 63 GLN CA . 10045 1 716 . 1 1 63 63 GLN CB C 13 28.426 0.300 . 1 . . . . 63 GLN CB . 10045 1 717 . 1 1 63 63 GLN CG C 13 33.766 0.300 . 1 . . . . 63 GLN CG . 10045 1 718 . 1 1 63 63 GLN N N 15 116.506 0.300 . 1 . . . . 63 GLN N . 10045 1 719 . 1 1 63 63 GLN NE2 N 15 112.016 0.300 . 1 . . . . 63 GLN NE2 . 10045 1 720 . 1 1 64 64 VAL H H 1 6.853 0.030 . 1 . . . . 64 VAL H . 10045 1 721 . 1 1 64 64 VAL HA H 1 3.844 0.030 . 1 . . . . 64 VAL HA . 10045 1 722 . 1 1 64 64 VAL HB H 1 2.417 0.030 . 1 . . . . 64 VAL HB . 10045 1 723 . 1 1 64 64 VAL HG11 H 1 1.178 0.030 . 1 . . . . 64 VAL HG1 . 10045 1 724 . 1 1 64 64 VAL HG12 H 1 1.178 0.030 . 1 . . . . 64 VAL HG1 . 10045 1 725 . 1 1 64 64 VAL HG13 H 1 1.178 0.030 . 1 . . . . 64 VAL HG1 . 10045 1 726 . 1 1 64 64 VAL HG21 H 1 1.228 0.030 . 1 . . . . 64 VAL HG2 . 10045 1 727 . 1 1 64 64 VAL HG22 H 1 1.228 0.030 . 1 . . . . 64 VAL HG2 . 10045 1 728 . 1 1 64 64 VAL HG23 H 1 1.228 0.030 . 1 . . . . 64 VAL HG2 . 10045 1 729 . 1 1 64 64 VAL C C 13 178.065 0.300 . 1 . . . . 64 VAL C . 10045 1 730 . 1 1 64 64 VAL CA C 13 65.481 0.300 . 1 . . . . 64 VAL CA . 10045 1 731 . 1 1 64 64 VAL CB C 13 31.766 0.300 . 1 . . . . 64 VAL CB . 10045 1 732 . 1 1 64 64 VAL CG1 C 13 22.724 0.300 . 2 . . . . 64 VAL CG1 . 10045 1 733 . 1 1 64 64 VAL CG2 C 13 21.653 0.300 . 2 . . . . 64 VAL CG2 . 10045 1 734 . 1 1 64 64 VAL N N 15 117.776 0.300 . 1 . . . . 64 VAL N . 10045 1 735 . 1 1 65 65 LEU H H 1 8.173 0.030 . 1 . . . . 65 LEU H . 10045 1 736 . 1 1 65 65 LEU HA H 1 4.154 0.030 . 1 . . . . 65 LEU HA . 10045 1 737 . 1 1 65 65 LEU HB2 H 1 2.110 0.030 . 2 . . . . 65 LEU HB2 . 10045 1 738 . 1 1 65 65 LEU HB3 H 1 1.418 0.030 . 2 . . . . 65 LEU HB3 . 10045 1 739 . 1 1 65 65 LEU HG H 1 1.589 0.030 . 1 . . . . 65 LEU HG . 10045 1 740 . 1 1 65 65 LEU HD11 H 1 0.893 0.030 . 1 . . . . 65 LEU HD1 . 10045 1 741 . 1 1 65 65 LEU HD12 H 1 0.893 0.030 . 1 . . . . 65 LEU HD1 . 10045 1 742 . 1 1 65 65 LEU HD13 H 1 0.893 0.030 . 1 . . . . 65 LEU HD1 . 10045 1 743 . 1 1 65 65 LEU HD21 H 1 0.899 0.030 . 1 . . . . 65 LEU HD2 . 10045 1 744 . 1 1 65 65 LEU HD22 H 1 0.899 0.030 . 1 . . . . 65 LEU HD2 . 10045 1 745 . 1 1 65 65 LEU HD23 H 1 0.899 0.030 . 1 . . . . 65 LEU HD2 . 10045 1 746 . 1 1 65 65 LEU C C 13 178.065 0.300 . 1 . . . . 65 LEU C . 10045 1 747 . 1 1 65 65 LEU CA C 13 58.407 0.300 . 1 . . . . 65 LEU CA . 10045 1 748 . 1 1 65 65 LEU CB C 13 41.860 0.300 . 1 . . . . 65 LEU CB . 10045 1 749 . 1 1 65 65 LEU CG C 13 27.389 0.300 . 1 . . . . 65 LEU CG . 10045 1 750 . 1 1 65 65 LEU CD1 C 13 23.219 0.300 . 2 . . . . 65 LEU CD1 . 10045 1 751 . 1 1 65 65 LEU CD2 C 13 26.752 0.300 . 2 . . . . 65 LEU CD2 . 10045 1 752 . 1 1 65 65 LEU N N 15 122.055 0.300 . 1 . . . . 65 LEU N . 10045 1 753 . 1 1 66 66 LYS H H 1 8.347 0.030 . 1 . . . . 66 LYS H . 10045 1 754 . 1 1 66 66 LYS HA H 1 3.900 0.030 . 1 . . . . 66 LYS HA . 10045 1 755 . 1 1 66 66 LYS HB2 H 1 1.989 0.030 . 2 . . . . 66 LYS HB2 . 10045 1 756 . 1 1 66 66 LYS HB3 H 1 1.880 0.030 . 2 . . . . 66 LYS HB3 . 10045 1 757 . 1 1 66 66 LYS HG2 H 1 1.396 0.030 . 2 . . . . 66 LYS HG2 . 10045 1 758 . 1 1 66 66 LYS HG3 H 1 1.590 0.030 . 2 . . . . 66 LYS HG3 . 10045 1 759 . 1 1 66 66 LYS HD2 H 1 1.752 0.030 . 1 . . . . 66 LYS HD2 . 10045 1 760 . 1 1 66 66 LYS HD3 H 1 1.752 0.030 . 1 . . . . 66 LYS HD3 . 10045 1 761 . 1 1 66 66 LYS HE2 H 1 3.004 0.030 . 1 . . . . 66 LYS HE2 . 10045 1 762 . 1 1 66 66 LYS HE3 H 1 3.004 0.030 . 1 . . . . 66 LYS HE3 . 10045 1 763 . 1 1 66 66 LYS C C 13 179.355 0.300 . 1 . . . . 66 LYS C . 10045 1 764 . 1 1 66 66 LYS CA C 13 60.701 0.300 . 1 . . . . 66 LYS CA . 10045 1 765 . 1 1 66 66 LYS CB C 13 32.714 0.300 . 1 . . . . 66 LYS CB . 10045 1 766 . 1 1 66 66 LYS CG C 13 25.526 0.300 . 1 . . . . 66 LYS CG . 10045 1 767 . 1 1 66 66 LYS CD C 13 29.646 0.300 . 1 . . . . 66 LYS CD . 10045 1 768 . 1 1 66 66 LYS CE C 13 42.007 0.300 . 1 . . . . 66 LYS CE . 10045 1 769 . 1 1 66 66 LYS N N 15 117.681 0.300 . 1 . . . . 66 LYS N . 10045 1 770 . 1 1 67 67 ILE H H 1 7.710 0.030 . 1 . . . . 67 ILE H . 10045 1 771 . 1 1 67 67 ILE HA H 1 3.902 0.030 . 1 . . . . 67 ILE HA . 10045 1 772 . 1 1 67 67 ILE HB H 1 2.047 0.030 . 1 . . . . 67 ILE HB . 10045 1 773 . 1 1 67 67 ILE HG12 H 1 1.323 0.030 . 2 . . . . 67 ILE HG12 . 10045 1 774 . 1 1 67 67 ILE HG13 H 1 1.807 0.030 . 2 . . . . 67 ILE HG13 . 10045 1 775 . 1 1 67 67 ILE HG21 H 1 1.059 0.030 . 1 . . . . 67 ILE HG2 . 10045 1 776 . 1 1 67 67 ILE HG22 H 1 1.059 0.030 . 1 . . . . 67 ILE HG2 . 10045 1 777 . 1 1 67 67 ILE HG23 H 1 1.059 0.030 . 1 . . . . 67 ILE HG2 . 10045 1 778 . 1 1 67 67 ILE HD11 H 1 0.925 0.030 . 1 . . . . 67 ILE HD1 . 10045 1 779 . 1 1 67 67 ILE HD12 H 1 0.925 0.030 . 1 . . . . 67 ILE HD1 . 10045 1 780 . 1 1 67 67 ILE HD13 H 1 0.925 0.030 . 1 . . . . 67 ILE HD1 . 10045 1 781 . 1 1 67 67 ILE C C 13 177.809 0.300 . 1 . . . . 67 ILE C . 10045 1 782 . 1 1 67 67 ILE CA C 13 64.571 0.300 . 1 . . . . 67 ILE CA . 10045 1 783 . 1 1 67 67 ILE CB C 13 38.487 0.300 . 1 . . . . 67 ILE CB . 10045 1 784 . 1 1 67 67 ILE CG1 C 13 29.234 0.300 . 1 . . . . 67 ILE CG1 . 10045 1 785 . 1 1 67 67 ILE CG2 C 13 17.730 0.300 . 1 . . . . 67 ILE CG2 . 10045 1 786 . 1 1 67 67 ILE CD1 C 13 13.030 0.300 . 1 . . . . 67 ILE CD1 . 10045 1 787 . 1 1 67 67 ILE N N 15 120.400 0.300 . 1 . . . . 67 ILE N . 10045 1 788 . 1 1 68 68 TRP H H 1 8.851 0.030 . 1 . . . . 68 TRP H . 10045 1 789 . 1 1 68 68 TRP HA H 1 4.248 0.030 . 1 . . . . 68 TRP HA . 10045 1 790 . 1 1 68 68 TRP HB2 H 1 3.544 0.030 . 2 . . . . 68 TRP HB2 . 10045 1 791 . 1 1 68 68 TRP HB3 H 1 3.342 0.030 . 2 . . . . 68 TRP HB3 . 10045 1 792 . 1 1 68 68 TRP HD1 H 1 7.313 0.030 . 1 . . . . 68 TRP HD1 . 10045 1 793 . 1 1 68 68 TRP HE1 H 1 10.085 0.030 . 1 . . . . 68 TRP HE1 . 10045 1 794 . 1 1 68 68 TRP HE3 H 1 7.301 0.030 . 1 . . . . 68 TRP HE3 . 10045 1 795 . 1 1 68 68 TRP HZ2 H 1 7.389 0.030 . 1 . . . . 68 TRP HZ2 . 10045 1 796 . 1 1 68 68 TRP HZ3 H 1 6.655 0.030 . 1 . . . . 68 TRP HZ3 . 10045 1 797 . 1 1 68 68 TRP HH2 H 1 6.982 0.030 . 1 . . . . 68 TRP HH2 . 10045 1 798 . 1 1 68 68 TRP C C 13 180.341 0.300 . 1 . . . . 68 TRP C . 10045 1 799 . 1 1 68 68 TRP CA C 13 62.976 0.300 . 1 . . . . 68 TRP CA . 10045 1 800 . 1 1 68 68 TRP CB C 13 28.759 0.300 . 1 . . . . 68 TRP CB . 10045 1 801 . 1 1 68 68 TRP CD1 C 13 127.455 0.300 . 1 . . . . 68 TRP CD1 . 10045 1 802 . 1 1 68 68 TRP CE3 C 13 119.704 0.300 . 1 . . . . 68 TRP CE3 . 10045 1 803 . 1 1 68 68 TRP CZ2 C 13 113.958 0.300 . 1 . . . . 68 TRP CZ2 . 10045 1 804 . 1 1 68 68 TRP CZ3 C 13 121.492 0.300 . 1 . . . . 68 TRP CZ3 . 10045 1 805 . 1 1 68 68 TRP CH2 C 13 123.748 0.300 . 1 . . . . 68 TRP CH2 . 10045 1 806 . 1 1 68 68 TRP N N 15 122.527 0.300 . 1 . . . . 68 TRP N . 10045 1 807 . 1 1 68 68 TRP NE1 N 15 129.334 0.300 . 1 . . . . 68 TRP NE1 . 10045 1 808 . 1 1 69 69 MET H H 1 9.102 0.030 . 1 . . . . 69 MET H . 10045 1 809 . 1 1 69 69 MET HA H 1 4.001 0.030 . 1 . . . . 69 MET HA . 10045 1 810 . 1 1 69 69 MET HB2 H 1 2.418 0.030 . 2 . . . . 69 MET HB2 . 10045 1 811 . 1 1 69 69 MET HB3 H 1 2.196 0.030 . 2 . . . . 69 MET HB3 . 10045 1 812 . 1 1 69 69 MET HG2 H 1 3.065 0.030 . 2 . . . . 69 MET HG2 . 10045 1 813 . 1 1 69 69 MET HG3 H 1 2.435 0.030 . 2 . . . . 69 MET HG3 . 10045 1 814 . 1 1 69 69 MET HE1 H 1 1.726 0.030 . 1 . . . . 69 MET HE . 10045 1 815 . 1 1 69 69 MET HE2 H 1 1.726 0.030 . 1 . . . . 69 MET HE . 10045 1 816 . 1 1 69 69 MET HE3 H 1 1.726 0.030 . 1 . . . . 69 MET HE . 10045 1 817 . 1 1 69 69 MET C C 13 177.407 0.300 . 1 . . . . 69 MET C . 10045 1 818 . 1 1 69 69 MET CA C 13 60.600 0.300 . 1 . . . . 69 MET CA . 10045 1 819 . 1 1 69 69 MET CB C 13 33.744 0.300 . 1 . . . . 69 MET CB . 10045 1 820 . 1 1 69 69 MET CG C 13 32.942 0.300 . 1 . . . . 69 MET CG . 10045 1 821 . 1 1 69 69 MET CE C 13 15.748 0.300 . 1 . . . . 69 MET CE . 10045 1 822 . 1 1 69 69 MET N N 15 118.313 0.300 . 1 . . . . 69 MET N . 10045 1 823 . 1 1 70 70 HIS H H 1 7.858 0.030 . 1 . . . . 70 HIS H . 10045 1 824 . 1 1 70 70 HIS HA H 1 4.373 0.030 . 1 . . . . 70 HIS HA . 10045 1 825 . 1 1 70 70 HIS HB2 H 1 3.390 0.030 . 2 . . . . 70 HIS HB2 . 10045 1 826 . 1 1 70 70 HIS HB3 H 1 3.347 0.030 . 2 . . . . 70 HIS HB3 . 10045 1 827 . 1 1 70 70 HIS HD2 H 1 7.181 0.030 . 1 . . . . 70 HIS HD2 . 10045 1 828 . 1 1 70 70 HIS HE1 H 1 8.171 0.030 . 1 . . . . 70 HIS HE1 . 10045 1 829 . 1 1 70 70 HIS C C 13 177.164 0.300 . 1 . . . . 70 HIS C . 10045 1 830 . 1 1 70 70 HIS CA C 13 59.296 0.300 . 1 . . . . 70 HIS CA . 10045 1 831 . 1 1 70 70 HIS CB C 13 29.500 0.300 . 1 . . . . 70 HIS CB . 10045 1 832 . 1 1 70 70 HIS CD2 C 13 120.393 0.300 . 1 . . . . 70 HIS CD2 . 10045 1 833 . 1 1 70 70 HIS CE1 C 13 137.833 0.300 . 1 . . . . 70 HIS CE1 . 10045 1 834 . 1 1 70 70 HIS N N 15 116.796 0.300 . 1 . . . . 70 HIS N . 10045 1 835 . 1 1 71 71 ASN H H 1 8.158 0.030 . 1 . . . . 71 ASN H . 10045 1 836 . 1 1 71 71 ASN HA H 1 4.508 0.030 . 1 . . . . 71 ASN HA . 10045 1 837 . 1 1 71 71 ASN HB2 H 1 2.784 0.030 . 2 . . . . 71 ASN HB2 . 10045 1 838 . 1 1 71 71 ASN HB3 H 1 2.715 0.030 . 2 . . . . 71 ASN HB3 . 10045 1 839 . 1 1 71 71 ASN HD21 H 1 7.672 0.030 . 2 . . . . 71 ASN HD21 . 10045 1 840 . 1 1 71 71 ASN HD22 H 1 7.042 0.030 . 2 . . . . 71 ASN HD22 . 10045 1 841 . 1 1 71 71 ASN C C 13 176.205 0.300 . 1 . . . . 71 ASN C . 10045 1 842 . 1 1 71 71 ASN CA C 13 54.395 0.300 . 1 . . . . 71 ASN CA . 10045 1 843 . 1 1 71 71 ASN CB C 13 39.065 0.300 . 1 . . . . 71 ASN CB . 10045 1 844 . 1 1 71 71 ASN N N 15 114.979 0.300 . 1 . . . . 71 ASN N . 10045 1 845 . 1 1 71 71 ASN ND2 N 15 112.951 0.300 . 1 . . . . 71 ASN ND2 . 10045 1 846 . 1 1 72 72 ASN H H 1 7.515 0.030 . 1 . . . . 72 ASN H . 10045 1 847 . 1 1 72 72 ASN HA H 1 4.438 0.030 . 1 . . . . 72 ASN HA . 10045 1 848 . 1 1 72 72 ASN HB2 H 1 2.099 0.030 . 2 . . . . 72 ASN HB2 . 10045 1 849 . 1 1 72 72 ASN HB3 H 1 1.483 0.030 . 2 . . . . 72 ASN HB3 . 10045 1 850 . 1 1 72 72 ASN HD21 H 1 6.604 0.030 . 2 . . . . 72 ASN HD21 . 10045 1 851 . 1 1 72 72 ASN HD22 H 1 6.551 0.030 . 2 . . . . 72 ASN HD22 . 10045 1 852 . 1 1 72 72 ASN C C 13 173.561 0.300 . 1 . . . . 72 ASN C . 10045 1 853 . 1 1 72 72 ASN CA C 13 54.139 0.300 . 1 . . . . 72 ASN CA . 10045 1 854 . 1 1 72 72 ASN CB C 13 39.430 0.300 . 1 . . . . 72 ASN CB . 10045 1 855 . 1 1 72 72 ASN N N 15 116.583 0.300 . 1 . . . . 72 ASN N . 10045 1 856 . 1 1 72 72 ASN ND2 N 15 115.010 0.300 . 1 . . . . 72 ASN ND2 . 10045 1 857 . 1 1 73 73 LYS H H 1 7.178 0.030 . 1 . . . . 73 LYS H . 10045 1 858 . 1 1 73 73 LYS HA H 1 2.797 0.030 . 1 . . . . 73 LYS HA . 10045 1 859 . 1 1 73 73 LYS HB2 H 1 1.616 0.030 . 2 . . . . 73 LYS HB2 . 10045 1 860 . 1 1 73 73 LYS HB3 H 1 1.520 0.030 . 2 . . . . 73 LYS HB3 . 10045 1 861 . 1 1 73 73 LYS HG2 H 1 1.088 0.030 . 2 . . . . 73 LYS HG2 . 10045 1 862 . 1 1 73 73 LYS HG3 H 1 0.862 0.030 . 2 . . . . 73 LYS HG3 . 10045 1 863 . 1 1 73 73 LYS HD2 H 1 1.522 0.030 . 1 . . . . 73 LYS HD2 . 10045 1 864 . 1 1 73 73 LYS HD3 H 1 1.522 0.030 . 1 . . . . 73 LYS HD3 . 10045 1 865 . 1 1 73 73 LYS HE2 H 1 2.814 0.030 . 1 . . . . 73 LYS HE2 . 10045 1 866 . 1 1 73 73 LYS HE3 H 1 2.814 0.030 . 1 . . . . 73 LYS HE3 . 10045 1 867 . 1 1 73 73 LYS C C 13 175.812 0.300 . 1 . . . . 73 LYS C . 10045 1 868 . 1 1 73 73 LYS CA C 13 57.173 0.300 . 1 . . . . 73 LYS CA . 10045 1 869 . 1 1 73 73 LYS CB C 13 32.219 0.300 . 1 . . . . 73 LYS CB . 10045 1 870 . 1 1 73 73 LYS CG C 13 23.779 0.300 . 1 . . . . 73 LYS CG . 10045 1 871 . 1 1 73 73 LYS CD C 13 29.399 0.300 . 1 . . . . 73 LYS CD . 10045 1 872 . 1 1 73 73 LYS CE C 13 42.007 0.300 . 1 . . . . 73 LYS CE . 10045 1 873 . 1 1 73 73 LYS N N 15 120.515 0.300 . 1 . . . . 73 LYS N . 10045 1 874 . 1 1 74 74 ASN H H 1 7.607 0.030 . 1 . . . . 74 ASN H . 10045 1 875 . 1 1 74 74 ASN HA H 1 4.499 0.030 . 1 . . . . 74 ASN HA . 10045 1 876 . 1 1 74 74 ASN HB2 H 1 2.671 0.030 . 2 . . . . 74 ASN HB2 . 10045 1 877 . 1 1 74 74 ASN HB3 H 1 2.484 0.030 . 2 . . . . 74 ASN HB3 . 10045 1 878 . 1 1 74 74 ASN HD21 H 1 7.443 0.030 . 2 . . . . 74 ASN HD21 . 10045 1 879 . 1 1 74 74 ASN HD22 H 1 6.823 0.030 . 2 . . . . 74 ASN HD22 . 10045 1 880 . 1 1 74 74 ASN C C 13 174.942 0.300 . 1 . . . . 74 ASN C . 10045 1 881 . 1 1 74 74 ASN CA C 13 53.178 0.300 . 1 . . . . 74 ASN CA . 10045 1 882 . 1 1 74 74 ASN CB C 13 38.606 0.300 . 1 . . . . 74 ASN CB . 10045 1 883 . 1 1 74 74 ASN N N 15 118.788 0.300 . 1 . . . . 74 ASN N . 10045 1 884 . 1 1 74 74 ASN ND2 N 15 112.980 0.300 . 1 . . . . 74 ASN ND2 . 10045 1 885 . 1 1 75 75 SER H H 1 7.890 0.030 . 1 . . . . 75 SER H . 10045 1 886 . 1 1 75 75 SER HA H 1 4.352 0.030 . 1 . . . . 75 SER HA . 10045 1 887 . 1 1 75 75 SER HB2 H 1 3.839 0.030 . 2 . . . . 75 SER HB2 . 10045 1 888 . 1 1 75 75 SER HB3 H 1 3.776 0.030 . 2 . . . . 75 SER HB3 . 10045 1 889 . 1 1 75 75 SER C C 13 174.530 0.300 . 1 . . . . 75 SER C . 10045 1 890 . 1 1 75 75 SER CA C 13 58.485 0.300 . 1 . . . . 75 SER CA . 10045 1 891 . 1 1 75 75 SER CB C 13 63.863 0.300 . 1 . . . . 75 SER CB . 10045 1 892 . 1 1 75 75 SER N N 15 115.609 0.300 . 1 . . . . 75 SER N . 10045 1 893 . 1 1 76 76 GLY H H 1 8.134 0.030 . 1 . . . . 76 GLY H . 10045 1 894 . 1 1 76 76 GLY HA2 H 1 4.116 0.030 . 2 . . . . 76 GLY HA2 . 10045 1 895 . 1 1 76 76 GLY HA3 H 1 4.054 0.030 . 2 . . . . 76 GLY HA3 . 10045 1 896 . 1 1 76 76 GLY C C 13 171.883 0.300 . 1 . . . . 76 GLY C . 10045 1 897 . 1 1 76 76 GLY CA C 13 44.716 0.300 . 1 . . . . 76 GLY CA . 10045 1 898 . 1 1 76 76 GLY N N 15 110.572 0.300 . 1 . . . . 76 GLY N . 10045 1 899 . 1 1 77 77 PRO HA H 1 4.486 0.030 . 1 . . . . 77 PRO HA . 10045 1 900 . 1 1 77 77 PRO HB2 H 1 2.307 0.030 . 2 . . . . 77 PRO HB2 . 10045 1 901 . 1 1 77 77 PRO HB3 H 1 1.998 0.030 . 2 . . . . 77 PRO HB3 . 10045 1 902 . 1 1 77 77 PRO HG2 H 1 2.036 0.030 . 1 . . . . 77 PRO HG2 . 10045 1 903 . 1 1 77 77 PRO HG3 H 1 2.036 0.030 . 1 . . . . 77 PRO HG3 . 10045 1 904 . 1 1 77 77 PRO HD2 H 1 3.626 0.030 . 1 . . . . 77 PRO HD2 . 10045 1 905 . 1 1 77 77 PRO HD3 H 1 3.626 0.030 . 1 . . . . 77 PRO HD3 . 10045 1 906 . 1 1 77 77 PRO CA C 13 63.410 0.300 . 1 . . . . 77 PRO CA . 10045 1 907 . 1 1 77 77 PRO CB C 13 32.159 0.300 . 1 . . . . 77 PRO CB . 10045 1 908 . 1 1 77 77 PRO CG C 13 27.239 0.300 . 1 . . . . 77 PRO CG . 10045 1 909 . 1 1 77 77 PRO CD C 13 49.868 0.300 . 1 . . . . 77 PRO CD . 10045 1 910 . 1 1 78 78 SER H H 1 8.430 0.030 . 1 . . . . 78 SER H . 10045 1 911 . 1 1 78 78 SER HA H 1 4.496 0.030 . 1 . . . . 78 SER HA . 10045 1 912 . 1 1 78 78 SER HB2 H 1 3.912 0.030 . 1 . . . . 78 SER HB2 . 10045 1 913 . 1 1 78 78 SER HB3 H 1 3.912 0.030 . 1 . . . . 78 SER HB3 . 10045 1 914 . 1 1 78 78 SER CA C 13 58.570 0.300 . 1 . . . . 78 SER CA . 10045 1 915 . 1 1 78 78 SER CB C 13 63.762 0.300 . 1 . . . . 78 SER CB . 10045 1 916 . 1 1 78 78 SER N N 15 115.577 0.300 . 1 . . . . 78 SER N . 10045 1 917 . 1 1 79 79 SER H H 1 8.322 0.030 . 1 . . . . 79 SER H . 10045 1 918 . 1 1 79 79 SER N N 15 117.895 0.300 . 1 . . . . 79 SER N . 10045 1 stop_ save_