data_10289 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10289 _Entry.Title ; Solution structure of the homeobox domain of Zinc finger homeobox protein 1b (Smad interacting protein 1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Ohnishi . . . 10289 2 T. Kigawa . . . 10289 3 M. Sato . . . 10289 4 S. Koshiba . . . 10289 5 M. Inoue . . . 10289 6 S. Yokoyama . . . 10289 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10289 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10289 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 10289 '15N chemical shifts' 63 10289 '1H chemical shifts' 443 10289 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 . . 2009-12-17 2008-12-17 original author . 10289 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DA7 'BMRB Entry Tracking System' 10289 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10289 _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 the homeobox domain of Zinc finger homeobox protein 1b (Smad interacting protein 1) ; _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 S. Ohnishi . . . 10289 1 2 T. Kigawa . . . 10289 1 3 M. Sato . . . 10289 1 4 S. Koshiba . . . 10289 1 5 M. Inoue . . . 10289 1 6 S. Yokoyama . . . 10289 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10289 _Assembly.ID 1 _Assembly.Name 'Zinc finger homeobox protein 1b' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10289 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 2DA7 . . . . . . 10289 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10289 _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 ; GSSGSSGSPINPYKDHMSVL KAYYAMNMEPNSDELLKISI AVGLPQEFVKEWFEQRKVYQ YSNSRSGPSSG ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2DA7 . "Solution Structure Of The Homeobox Domain Of Zinc Finger Homeobox Protein 1b (Smad Interacting Protein 1)" . . . . . 100.00 71 100.00 100.00 6.56e-43 . . . . 10289 1 2 no DBJ BAA25495 . "KIAA0569 protein [Homo sapiens]" . . . . . 83.10 1214 100.00 100.00 1.32e-31 . . . . 10289 1 3 no DBJ BAB40819 . "Smad interacting protein 1 [Homo sapiens]" . . . . . 83.10 1214 100.00 100.00 1.32e-31 . . . . 10289 1 4 no DBJ BAC65594 . "mKIAA0569 protein [Mus musculus]" . . . . . 83.10 1248 100.00 100.00 1.11e-31 . . . . 10289 1 5 no DBJ BAE24572 . "unnamed protein product [Mus musculus]" . . . . . 83.10 1215 100.00 100.00 1.05e-31 . . . . 10289 1 6 no DBJ BAG72873 . "zinc finger E-box binding homeobox 2 [synthetic construct]" . . . . . 83.10 1214 100.00 100.00 1.32e-31 . . . . 10289 1 7 no EMBL CAH90122 . "hypothetical protein [Pongo abelii]" . . . . . 83.10 1214 98.31 100.00 4.05e-31 . . . . 10289 1 8 no EMBL CAJ29798 . "Zfhx1b zinc finger homeobox 1b [Rattus norvegicus]" . . . . . 83.10 1215 98.31 100.00 6.34e-31 . . . . 10289 1 9 no GB AAD56590 . "Smad interacting protein 1 [Mus musculus]" . . . . . 83.10 1215 100.00 100.00 1.17e-31 . . . . 10289 1 10 no GB AAH60699 . "Zinc finger E-box binding homeobox 2 [Mus musculus]" . . . . . 83.10 1215 100.00 100.00 1.00e-31 . . . . 10289 1 11 no GB AAI27102 . "Zinc finger E-box binding homeobox 2 [Homo sapiens]" . . . . . 83.10 1213 100.00 100.00 1.32e-31 . . . . 10289 1 12 no GB AAI27103 . "Zinc finger E-box binding homeobox 2 [Homo sapiens]" . . . . . 83.10 1214 100.00 100.00 1.32e-31 . . . . 10289 1 13 no GB AAK52081 . "smad-interacting protein-1 [Homo sapiens]" . . . . . 83.10 1214 100.00 100.00 1.32e-31 . . . . 10289 1 14 no REF NP_001028873 . "zinc finger E-box-binding homeobox 2 [Rattus norvegicus]" . . . . . 83.10 1215 98.31 100.00 6.34e-31 . . . . 10289 1 15 no REF NP_001125020 . "zinc finger E-box-binding homeobox 2 [Pongo abelii]" . . . . . 83.10 1214 98.31 100.00 4.05e-31 . . . . 10289 1 16 no REF NP_001165124 . "zinc finger E-box-binding homeobox 2 isoform 2 [Homo sapiens]" . . . . . 83.10 1190 100.00 100.00 1.36e-31 . . . . 10289 1 17 no REF NP_001276450 . "zinc finger E-box-binding homeobox 2 [Mus musculus]" . . . . . 83.10 1215 100.00 100.00 1.00e-31 . . . . 10289 1 18 no REF NP_055610 . "zinc finger E-box-binding homeobox 2 isoform 1 [Homo sapiens]" . . . . . 83.10 1214 100.00 100.00 1.32e-31 . . . . 10289 1 19 no SP O60315 . "RecName: Full=Zinc finger E-box-binding homeobox 2; AltName: Full=Smad-interacting protein 1; Short=SMADIP1; AltName: Full=Zinc" . . . . . 83.10 1214 100.00 100.00 1.32e-31 . . . . 10289 1 20 no SP Q9R0G7 . "RecName: Full=Zinc finger E-box-binding homeobox 2; AltName: Full=Smad-interacting protein 1; AltName: Full=Zinc finger homeobo" . . . . . 83.10 1215 100.00 100.00 1.00e-31 . . . . 10289 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10289 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 . 10289 1 2 . SER . 10289 1 3 . SER . 10289 1 4 . GLY . 10289 1 5 . SER . 10289 1 6 . SER . 10289 1 7 . GLY . 10289 1 8 . SER . 10289 1 9 . PRO . 10289 1 10 . ILE . 10289 1 11 . ASN . 10289 1 12 . PRO . 10289 1 13 . TYR . 10289 1 14 . LYS . 10289 1 15 . ASP . 10289 1 16 . HIS . 10289 1 17 . MET . 10289 1 18 . SER . 10289 1 19 . VAL . 10289 1 20 . LEU . 10289 1 21 . LYS . 10289 1 22 . ALA . 10289 1 23 . TYR . 10289 1 24 . TYR . 10289 1 25 . ALA . 10289 1 26 . MET . 10289 1 27 . ASN . 10289 1 28 . MET . 10289 1 29 . GLU . 10289 1 30 . PRO . 10289 1 31 . ASN . 10289 1 32 . SER . 10289 1 33 . ASP . 10289 1 34 . GLU . 10289 1 35 . LEU . 10289 1 36 . LEU . 10289 1 37 . LYS . 10289 1 38 . ILE . 10289 1 39 . SER . 10289 1 40 . ILE . 10289 1 41 . ALA . 10289 1 42 . VAL . 10289 1 43 . GLY . 10289 1 44 . LEU . 10289 1 45 . PRO . 10289 1 46 . GLN . 10289 1 47 . GLU . 10289 1 48 . PHE . 10289 1 49 . VAL . 10289 1 50 . LYS . 10289 1 51 . GLU . 10289 1 52 . TRP . 10289 1 53 . PHE . 10289 1 54 . GLU . 10289 1 55 . GLN . 10289 1 56 . ARG . 10289 1 57 . LYS . 10289 1 58 . VAL . 10289 1 59 . TYR . 10289 1 60 . GLN . 10289 1 61 . TYR . 10289 1 62 . SER . 10289 1 63 . ASN . 10289 1 64 . SER . 10289 1 65 . ARG . 10289 1 66 . SER . 10289 1 67 . GLY . 10289 1 68 . PRO . 10289 1 69 . SER . 10289 1 70 . SER . 10289 1 71 . GLY . 10289 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 10289 1 . SER 2 2 10289 1 . SER 3 3 10289 1 . GLY 4 4 10289 1 . SER 5 5 10289 1 . SER 6 6 10289 1 . GLY 7 7 10289 1 . SER 8 8 10289 1 . PRO 9 9 10289 1 . ILE 10 10 10289 1 . ASN 11 11 10289 1 . PRO 12 12 10289 1 . TYR 13 13 10289 1 . LYS 14 14 10289 1 . ASP 15 15 10289 1 . HIS 16 16 10289 1 . MET 17 17 10289 1 . SER 18 18 10289 1 . VAL 19 19 10289 1 . LEU 20 20 10289 1 . LYS 21 21 10289 1 . ALA 22 22 10289 1 . TYR 23 23 10289 1 . TYR 24 24 10289 1 . ALA 25 25 10289 1 . MET 26 26 10289 1 . ASN 27 27 10289 1 . MET 28 28 10289 1 . GLU 29 29 10289 1 . PRO 30 30 10289 1 . ASN 31 31 10289 1 . SER 32 32 10289 1 . ASP 33 33 10289 1 . GLU 34 34 10289 1 . LEU 35 35 10289 1 . LEU 36 36 10289 1 . LYS 37 37 10289 1 . ILE 38 38 10289 1 . SER 39 39 10289 1 . ILE 40 40 10289 1 . ALA 41 41 10289 1 . VAL 42 42 10289 1 . GLY 43 43 10289 1 . LEU 44 44 10289 1 . PRO 45 45 10289 1 . GLN 46 46 10289 1 . GLU 47 47 10289 1 . PHE 48 48 10289 1 . VAL 49 49 10289 1 . LYS 50 50 10289 1 . GLU 51 51 10289 1 . TRP 52 52 10289 1 . PHE 53 53 10289 1 . GLU 54 54 10289 1 . GLN 55 55 10289 1 . ARG 56 56 10289 1 . LYS 57 57 10289 1 . VAL 58 58 10289 1 . TYR 59 59 10289 1 . GLN 60 60 10289 1 . TYR 61 61 10289 1 . SER 62 62 10289 1 . ASN 63 63 10289 1 . SER 64 64 10289 1 . ARG 65 65 10289 1 . SER 66 66 10289 1 . GLY 67 67 10289 1 . PRO 68 68 10289 1 . SER 69 69 10289 1 . SER 70 70 10289 1 . GLY 71 71 10289 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 10289 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10289 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 10289 _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 . . P050404-18 . . . . . . 10289 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10289 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 10289 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10289 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10289 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10289 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10289 1 6 H2O . . . . . . solvent 90 . . % . . . . 10289 1 7 D2O . . . . . . solvent 10 . . % . . . . 10289 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 10289 _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 10289 1 pH 7.0 0.05 pH 10289 1 pressure 1 0.001 atm 10289 1 temperature 296 0.1 K 10289 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10289 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10289 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10289 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10289 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10289 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10289 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10289 _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.' . . 10289 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10289 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10289 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10289 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10289 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10289 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10289 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10289 5 'structure solution' 10289 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 10289 _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_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10289 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10289 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10289 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10289 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10289 1 stop_ 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 10289 _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 . . . . . . . . . 10289 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10289 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10289 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 10289 _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 10289 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10289 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 7 7 GLY HA2 H 1 3.980 0.030 . 1 . . . . 7 GLY HA2 . 10289 1 2 . 1 1 7 7 GLY HA3 H 1 3.980 0.030 . 1 . . . . 7 GLY HA3 . 10289 1 3 . 1 1 7 7 GLY C C 13 173.809 0.300 . 1 . . . . 7 GLY C . 10289 1 4 . 1 1 7 7 GLY CA C 13 45.148 0.300 . 1 . . . . 7 GLY CA . 10289 1 5 . 1 1 8 8 SER H H 1 8.167 0.030 . 1 . . . . 8 SER H . 10289 1 6 . 1 1 8 8 SER C C 13 172.741 0.300 . 1 . . . . 8 SER C . 10289 1 7 . 1 1 8 8 SER CA C 13 56.432 0.300 . 1 . . . . 8 SER CA . 10289 1 8 . 1 1 8 8 SER CB C 13 63.397 0.300 . 1 . . . . 8 SER CB . 10289 1 9 . 1 1 8 8 SER N N 15 116.986 0.300 . 1 . . . . 8 SER N . 10289 1 10 . 1 1 9 9 PRO HA H 1 4.471 0.030 . 1 . . . . 9 PRO HA . 10289 1 11 . 1 1 9 9 PRO HB2 H 1 1.884 0.030 . 2 . . . . 9 PRO HB2 . 10289 1 12 . 1 1 9 9 PRO HB3 H 1 2.276 0.030 . 2 . . . . 9 PRO HB3 . 10289 1 13 . 1 1 9 9 PRO HD2 H 1 3.817 0.030 . 2 . . . . 9 PRO HD2 . 10289 1 14 . 1 1 9 9 PRO HD3 H 1 3.708 0.030 . 2 . . . . 9 PRO HD3 . 10289 1 15 . 1 1 9 9 PRO HG2 H 1 2.002 0.030 . 1 . . . . 9 PRO HG2 . 10289 1 16 . 1 1 9 9 PRO HG3 H 1 2.002 0.030 . 1 . . . . 9 PRO HG3 . 10289 1 17 . 1 1 9 9 PRO C C 13 176.771 0.300 . 1 . . . . 9 PRO C . 10289 1 18 . 1 1 9 9 PRO CA C 13 63.244 0.300 . 1 . . . . 9 PRO CA . 10289 1 19 . 1 1 9 9 PRO CB C 13 32.121 0.300 . 1 . . . . 9 PRO CB . 10289 1 20 . 1 1 9 9 PRO CD C 13 50.736 0.300 . 1 . . . . 9 PRO CD . 10289 1 21 . 1 1 9 9 PRO CG C 13 27.248 0.300 . 1 . . . . 9 PRO CG . 10289 1 22 . 1 1 10 10 ILE H H 1 8.173 0.030 . 1 . . . . 10 ILE H . 10289 1 23 . 1 1 10 10 ILE HA H 1 4.084 0.030 . 1 . . . . 10 ILE HA . 10289 1 24 . 1 1 10 10 ILE HB H 1 1.793 0.030 . 1 . . . . 10 ILE HB . 10289 1 25 . 1 1 10 10 ILE HD11 H 1 0.836 0.030 . 1 . . . . 10 ILE HD1 . 10289 1 26 . 1 1 10 10 ILE HD12 H 1 0.836 0.030 . 1 . . . . 10 ILE HD1 . 10289 1 27 . 1 1 10 10 ILE HD13 H 1 0.836 0.030 . 1 . . . . 10 ILE HD1 . 10289 1 28 . 1 1 10 10 ILE HG12 H 1 1.166 0.030 . 2 . . . . 10 ILE HG12 . 10289 1 29 . 1 1 10 10 ILE HG13 H 1 1.457 0.030 . 2 . . . . 10 ILE HG13 . 10289 1 30 . 1 1 10 10 ILE HG21 H 1 0.849 0.030 . 1 . . . . 10 ILE HG2 . 10289 1 31 . 1 1 10 10 ILE HG22 H 1 0.849 0.030 . 1 . . . . 10 ILE HG2 . 10289 1 32 . 1 1 10 10 ILE HG23 H 1 0.849 0.030 . 1 . . . . 10 ILE HG2 . 10289 1 33 . 1 1 10 10 ILE C C 13 175.703 0.300 . 1 . . . . 10 ILE C . 10289 1 34 . 1 1 10 10 ILE CA C 13 61.051 0.300 . 1 . . . . 10 ILE CA . 10289 1 35 . 1 1 10 10 ILE CB C 13 38.806 0.300 . 1 . . . . 10 ILE CB . 10289 1 36 . 1 1 10 10 ILE CD1 C 13 12.927 0.300 . 1 . . . . 10 ILE CD1 . 10289 1 37 . 1 1 10 10 ILE CG1 C 13 27.461 0.300 . 1 . . . . 10 ILE CG1 . 10289 1 38 . 1 1 10 10 ILE CG2 C 13 17.513 0.300 . 1 . . . . 10 ILE CG2 . 10289 1 39 . 1 1 10 10 ILE N N 15 120.782 0.300 . 1 . . . . 10 ILE N . 10289 1 40 . 1 1 11 11 ASN H H 1 8.538 0.030 . 1 . . . . 11 ASN H . 10289 1 41 . 1 1 11 11 ASN HA H 1 4.992 0.030 . 1 . . . . 11 ASN HA . 10289 1 42 . 1 1 11 11 ASN HB2 H 1 2.746 0.030 . 2 . . . . 11 ASN HB2 . 10289 1 43 . 1 1 11 11 ASN HB3 H 1 2.896 0.030 . 2 . . . . 11 ASN HB3 . 10289 1 44 . 1 1 11 11 ASN HD21 H 1 6.962 0.030 . 2 . . . . 11 ASN HD21 . 10289 1 45 . 1 1 11 11 ASN HD22 H 1 7.711 0.030 . 2 . . . . 11 ASN HD22 . 10289 1 46 . 1 1 11 11 ASN C C 13 173.785 0.300 . 1 . . . . 11 ASN C . 10289 1 47 . 1 1 11 11 ASN CA C 13 50.794 0.300 . 1 . . . . 11 ASN CA . 10289 1 48 . 1 1 11 11 ASN CB C 13 39.063 0.300 . 1 . . . . 11 ASN CB . 10289 1 49 . 1 1 11 11 ASN N N 15 123.456 0.300 . 1 . . . . 11 ASN N . 10289 1 50 . 1 1 11 11 ASN ND2 N 15 112.144 0.300 . 1 . . . . 11 ASN ND2 . 10289 1 51 . 1 1 12 12 PRO HA H 1 4.328 0.030 . 1 . . . . 12 PRO HA . 10289 1 52 . 1 1 12 12 PRO HB2 H 1 1.561 0.030 . 2 . . . . 12 PRO HB2 . 10289 1 53 . 1 1 12 12 PRO HB3 H 1 2.092 0.030 . 2 . . . . 12 PRO HB3 . 10289 1 54 . 1 1 12 12 PRO HD2 H 1 3.696 0.030 . 2 . . . . 12 PRO HD2 . 10289 1 55 . 1 1 12 12 PRO HD3 H 1 3.758 0.030 . 2 . . . . 12 PRO HD3 . 10289 1 56 . 1 1 12 12 PRO HG2 H 1 1.571 0.030 . 2 . . . . 12 PRO HG2 . 10289 1 57 . 1 1 12 12 PRO HG3 H 1 1.846 0.030 . 2 . . . . 12 PRO HG3 . 10289 1 58 . 1 1 12 12 PRO C C 13 176.674 0.300 . 1 . . . . 12 PRO C . 10289 1 59 . 1 1 12 12 PRO CA C 13 63.616 0.300 . 1 . . . . 12 PRO CA . 10289 1 60 . 1 1 12 12 PRO CB C 13 31.997 0.300 . 1 . . . . 12 PRO CB . 10289 1 61 . 1 1 12 12 PRO CD C 13 50.691 0.300 . 1 . . . . 12 PRO CD . 10289 1 62 . 1 1 12 12 PRO CG C 13 26.694 0.300 . 1 . . . . 12 PRO CG . 10289 1 63 . 1 1 13 13 TYR H H 1 7.994 0.030 . 1 . . . . 13 TYR H . 10289 1 64 . 1 1 13 13 TYR HA H 1 4.574 0.030 . 1 . . . . 13 TYR HA . 10289 1 65 . 1 1 13 13 TYR HB2 H 1 2.877 0.030 . 2 . . . . 13 TYR HB2 . 10289 1 66 . 1 1 13 13 TYR HB3 H 1 3.062 0.030 . 2 . . . . 13 TYR HB3 . 10289 1 67 . 1 1 13 13 TYR HD1 H 1 6.949 0.030 . 1 . . . . 13 TYR HD1 . 10289 1 68 . 1 1 13 13 TYR HD2 H 1 6.949 0.030 . 1 . . . . 13 TYR HD2 . 10289 1 69 . 1 1 13 13 TYR HE1 H 1 6.703 0.030 . 1 . . . . 13 TYR HE1 . 10289 1 70 . 1 1 13 13 TYR HE2 H 1 6.703 0.030 . 1 . . . . 13 TYR HE2 . 10289 1 71 . 1 1 13 13 TYR C C 13 176.237 0.300 . 1 . . . . 13 TYR C . 10289 1 72 . 1 1 13 13 TYR CA C 13 57.866 0.300 . 1 . . . . 13 TYR CA . 10289 1 73 . 1 1 13 13 TYR CB C 13 38.013 0.300 . 1 . . . . 13 TYR CB . 10289 1 74 . 1 1 13 13 TYR CD1 C 13 132.946 0.300 . 1 . . . . 13 TYR CD1 . 10289 1 75 . 1 1 13 13 TYR CD2 C 13 132.946 0.300 . 1 . . . . 13 TYR CD2 . 10289 1 76 . 1 1 13 13 TYR CE1 C 13 117.934 0.300 . 1 . . . . 13 TYR CE1 . 10289 1 77 . 1 1 13 13 TYR CE2 C 13 117.934 0.300 . 1 . . . . 13 TYR CE2 . 10289 1 78 . 1 1 13 13 TYR N N 15 118.352 0.300 . 1 . . . . 13 TYR N . 10289 1 79 . 1 1 14 14 LYS H H 1 7.727 0.030 . 1 . . . . 14 LYS H . 10289 1 80 . 1 1 14 14 LYS HA H 1 4.131 0.030 . 1 . . . . 14 LYS HA . 10289 1 81 . 1 1 14 14 LYS HB2 H 1 1.764 0.030 . 1 . . . . 14 LYS HB2 . 10289 1 82 . 1 1 14 14 LYS HB3 H 1 1.764 0.030 . 1 . . . . 14 LYS HB3 . 10289 1 83 . 1 1 14 14 LYS HD2 H 1 1.691 0.030 . 1 . . . . 14 LYS HD2 . 10289 1 84 . 1 1 14 14 LYS HD3 H 1 1.691 0.030 . 1 . . . . 14 LYS HD3 . 10289 1 85 . 1 1 14 14 LYS HE2 H 1 2.995 0.030 . 2 . . . . 14 LYS HE2 . 10289 1 86 . 1 1 14 14 LYS HG2 H 1 1.339 0.030 . 2 . . . . 14 LYS HG2 . 10289 1 87 . 1 1 14 14 LYS HG3 H 1 1.402 0.030 . 2 . . . . 14 LYS HG3 . 10289 1 88 . 1 1 14 14 LYS C C 13 176.626 0.300 . 1 . . . . 14 LYS C . 10289 1 89 . 1 1 14 14 LYS CA C 13 57.704 0.300 . 1 . . . . 14 LYS CA . 10289 1 90 . 1 1 14 14 LYS CB C 13 33.154 0.300 . 1 . . . . 14 LYS CB . 10289 1 91 . 1 1 14 14 LYS CD C 13 29.296 0.300 . 1 . . . . 14 LYS CD . 10289 1 92 . 1 1 14 14 LYS CE C 13 42.146 0.300 . 1 . . . . 14 LYS CE . 10289 1 93 . 1 1 14 14 LYS CG C 13 24.483 0.300 . 1 . . . . 14 LYS CG . 10289 1 94 . 1 1 14 14 LYS N N 15 121.585 0.300 . 1 . . . . 14 LYS N . 10289 1 95 . 1 1 15 15 ASP H H 1 8.374 0.030 . 1 . . . . 15 ASP H . 10289 1 96 . 1 1 15 15 ASP HA H 1 4.620 0.030 . 1 . . . . 15 ASP HA . 10289 1 97 . 1 1 15 15 ASP HB2 H 1 2.745 0.030 . 2 . . . . 15 ASP HB2 . 10289 1 98 . 1 1 15 15 ASP HB3 H 1 2.555 0.030 . 2 . . . . 15 ASP HB3 . 10289 1 99 . 1 1 15 15 ASP C C 13 174.125 0.300 . 1 . . . . 15 ASP C . 10289 1 100 . 1 1 15 15 ASP CA C 13 54.763 0.300 . 1 . . . . 15 ASP CA . 10289 1 101 . 1 1 15 15 ASP CB C 13 40.533 0.300 . 1 . . . . 15 ASP CB . 10289 1 102 . 1 1 15 15 ASP N N 15 119.870 0.300 . 1 . . . . 15 ASP N . 10289 1 103 . 1 1 16 16 HIS H H 1 8.034 0.030 . 1 . . . . 16 HIS H . 10289 1 104 . 1 1 16 16 HIS HA H 1 4.419 0.030 . 1 . . . . 16 HIS HA . 10289 1 105 . 1 1 16 16 HIS HB2 H 1 3.116 0.030 . 2 . . . . 16 HIS HB2 . 10289 1 106 . 1 1 16 16 HIS HB3 H 1 2.956 0.030 . 2 . . . . 16 HIS HB3 . 10289 1 107 . 1 1 16 16 HIS HD2 H 1 6.913 0.030 . 1 . . . . 16 HIS HD2 . 10289 1 108 . 1 1 16 16 HIS HE1 H 1 7.796 0.030 . 1 . . . . 16 HIS HE1 . 10289 1 109 . 1 1 16 16 HIS CA C 13 58.742 0.300 . 1 . . . . 16 HIS CA . 10289 1 110 . 1 1 16 16 HIS CB C 13 30.675 0.300 . 1 . . . . 16 HIS CB . 10289 1 111 . 1 1 16 16 HIS CD2 C 13 120.128 0.300 . 1 . . . . 16 HIS CD2 . 10289 1 112 . 1 1 16 16 HIS CE1 C 13 139.056 0.300 . 1 . . . . 16 HIS CE1 . 10289 1 113 . 1 1 16 16 HIS N N 15 124.264 0.300 . 1 . . . . 16 HIS N . 10289 1 114 . 1 1 17 17 MET H H 1 8.049 0.030 . 1 . . . . 17 MET H . 10289 1 115 . 1 1 17 17 MET HA H 1 4.160 0.030 . 1 . . . . 17 MET HA . 10289 1 116 . 1 1 17 17 MET HB2 H 1 2.000 0.030 . 2 . . . . 17 MET HB2 . 10289 1 117 . 1 1 17 17 MET HB3 H 1 2.166 0.030 . 2 . . . . 17 MET HB3 . 10289 1 118 . 1 1 17 17 MET HE1 H 1 2.022 0.030 . 1 . . . . 17 MET HE . 10289 1 119 . 1 1 17 17 MET HE2 H 1 2.022 0.030 . 1 . . . . 17 MET HE . 10289 1 120 . 1 1 17 17 MET HE3 H 1 2.022 0.030 . 1 . . . . 17 MET HE . 10289 1 121 . 1 1 17 17 MET HG2 H 1 2.531 0.030 . 2 . . . . 17 MET HG2 . 10289 1 122 . 1 1 17 17 MET HG3 H 1 2.702 0.030 . 2 . . . . 17 MET HG3 . 10289 1 123 . 1 1 17 17 MET CA C 13 57.275 0.300 . 1 . . . . 17 MET CA . 10289 1 124 . 1 1 17 17 MET CB C 13 31.055 0.300 . 1 . . . . 17 MET CB . 10289 1 125 . 1 1 17 17 MET CE C 13 17.062 0.300 . 1 . . . . 17 MET CE . 10289 1 126 . 1 1 17 17 MET CG C 13 32.364 0.300 . 1 . . . . 17 MET CG . 10289 1 127 . 1 1 17 17 MET N N 15 117.829 0.300 . 1 . . . . 17 MET N . 10289 1 128 . 1 1 18 18 SER HA H 1 4.134 0.030 . 1 . . . . 18 SER HA . 10289 1 129 . 1 1 18 18 SER HB2 H 1 3.967 0.030 . 2 . . . . 18 SER HB2 . 10289 1 130 . 1 1 18 18 SER HB3 H 1 3.923 0.030 . 2 . . . . 18 SER HB3 . 10289 1 131 . 1 1 18 18 SER C C 13 176.941 0.300 . 1 . . . . 18 SER C . 10289 1 132 . 1 1 18 18 SER CA C 13 61.889 0.300 . 1 . . . . 18 SER CA . 10289 1 133 . 1 1 18 18 SER CB C 13 62.424 0.300 . 1 . . . . 18 SER CB . 10289 1 134 . 1 1 19 19 VAL H H 1 7.568 0.030 . 1 . . . . 19 VAL H . 10289 1 135 . 1 1 19 19 VAL HA H 1 3.809 0.030 . 1 . . . . 19 VAL HA . 10289 1 136 . 1 1 19 19 VAL HB H 1 2.169 0.030 . 1 . . . . 19 VAL HB . 10289 1 137 . 1 1 19 19 VAL HG11 H 1 1.037 0.030 . 1 . . . . 19 VAL HG1 . 10289 1 138 . 1 1 19 19 VAL HG12 H 1 1.037 0.030 . 1 . . . . 19 VAL HG1 . 10289 1 139 . 1 1 19 19 VAL HG13 H 1 1.037 0.030 . 1 . . . . 19 VAL HG1 . 10289 1 140 . 1 1 19 19 VAL HG21 H 1 1.002 0.030 . 1 . . . . 19 VAL HG2 . 10289 1 141 . 1 1 19 19 VAL HG22 H 1 1.002 0.030 . 1 . . . . 19 VAL HG2 . 10289 1 142 . 1 1 19 19 VAL HG23 H 1 1.002 0.030 . 1 . . . . 19 VAL HG2 . 10289 1 143 . 1 1 19 19 VAL C C 13 177.913 0.300 . 1 . . . . 19 VAL C . 10289 1 144 . 1 1 19 19 VAL CA C 13 65.637 0.300 . 1 . . . . 19 VAL CA . 10289 1 145 . 1 1 19 19 VAL CB C 13 31.737 0.300 . 1 . . . . 19 VAL CB . 10289 1 146 . 1 1 19 19 VAL CG1 C 13 22.107 0.300 . 2 . . . . 19 VAL CG1 . 10289 1 147 . 1 1 19 19 VAL CG2 C 13 21.749 0.300 . 2 . . . . 19 VAL CG2 . 10289 1 148 . 1 1 19 19 VAL N N 15 122.341 0.300 . 1 . . . . 19 VAL N . 10289 1 149 . 1 1 20 20 LEU H H 1 7.788 0.030 . 1 . . . . 20 LEU H . 10289 1 150 . 1 1 20 20 LEU HA H 1 3.940 0.030 . 1 . . . . 20 LEU HA . 10289 1 151 . 1 1 20 20 LEU HB2 H 1 0.010 0.030 . 2 . . . . 20 LEU HB2 . 10289 1 152 . 1 1 20 20 LEU HB3 H 1 0.836 0.030 . 2 . . . . 20 LEU HB3 . 10289 1 153 . 1 1 20 20 LEU HD11 H 1 0.157 0.030 . 1 . . . . 20 LEU HD1 . 10289 1 154 . 1 1 20 20 LEU HD12 H 1 0.157 0.030 . 1 . . . . 20 LEU HD1 . 10289 1 155 . 1 1 20 20 LEU HD13 H 1 0.157 0.030 . 1 . . . . 20 LEU HD1 . 10289 1 156 . 1 1 20 20 LEU HD21 H 1 0.504 0.030 . 1 . . . . 20 LEU HD2 . 10289 1 157 . 1 1 20 20 LEU HD22 H 1 0.504 0.030 . 1 . . . . 20 LEU HD2 . 10289 1 158 . 1 1 20 20 LEU HD23 H 1 0.504 0.030 . 1 . . . . 20 LEU HD2 . 10289 1 159 . 1 1 20 20 LEU HG H 1 1.293 0.030 . 1 . . . . 20 LEU HG . 10289 1 160 . 1 1 20 20 LEU C C 13 178.520 0.300 . 1 . . . . 20 LEU C . 10289 1 161 . 1 1 20 20 LEU CA C 13 58.336 0.300 . 1 . . . . 20 LEU CA . 10289 1 162 . 1 1 20 20 LEU CB C 13 39.138 0.300 . 1 . . . . 20 LEU CB . 10289 1 163 . 1 1 20 20 LEU CD1 C 13 24.634 0.300 . 2 . . . . 20 LEU CD1 . 10289 1 164 . 1 1 20 20 LEU CD2 C 13 23.596 0.300 . 2 . . . . 20 LEU CD2 . 10289 1 165 . 1 1 20 20 LEU CG C 13 26.613 0.300 . 1 . . . . 20 LEU CG . 10289 1 166 . 1 1 20 20 LEU N N 15 120.156 0.300 . 1 . . . . 20 LEU N . 10289 1 167 . 1 1 21 21 LYS H H 1 8.067 0.030 . 1 . . . . 21 LYS H . 10289 1 168 . 1 1 21 21 LYS HA H 1 4.047 0.030 . 1 . . . . 21 LYS HA . 10289 1 169 . 1 1 21 21 LYS HB2 H 1 1.956 0.030 . 2 . . . . 21 LYS HB2 . 10289 1 170 . 1 1 21 21 LYS HB3 H 1 1.987 0.030 . 2 . . . . 21 LYS HB3 . 10289 1 171 . 1 1 21 21 LYS HD2 H 1 1.739 0.030 . 2 . . . . 21 LYS HD2 . 10289 1 172 . 1 1 21 21 LYS HE2 H 1 2.981 0.030 . 2 . . . . 21 LYS HE2 . 10289 1 173 . 1 1 21 21 LYS HG2 H 1 1.531 0.030 . 2 . . . . 21 LYS HG2 . 10289 1 174 . 1 1 21 21 LYS HG3 H 1 1.821 0.030 . 2 . . . . 21 LYS HG3 . 10289 1 175 . 1 1 21 21 LYS C C 13 179.102 0.300 . 1 . . . . 21 LYS C . 10289 1 176 . 1 1 21 21 LYS CA C 13 60.667 0.300 . 1 . . . . 21 LYS CA . 10289 1 177 . 1 1 21 21 LYS CB C 13 32.519 0.300 . 1 . . . . 21 LYS CB . 10289 1 178 . 1 1 21 21 LYS CD C 13 29.629 0.300 . 1 . . . . 21 LYS CD . 10289 1 179 . 1 1 21 21 LYS CE C 13 42.066 0.300 . 1 . . . . 21 LYS CE . 10289 1 180 . 1 1 21 21 LYS CG C 13 26.631 0.300 . 1 . . . . 21 LYS CG . 10289 1 181 . 1 1 21 21 LYS N N 15 117.374 0.300 . 1 . . . . 21 LYS N . 10289 1 182 . 1 1 22 22 ALA H H 1 7.718 0.030 . 1 . . . . 22 ALA H . 10289 1 183 . 1 1 22 22 ALA HA H 1 4.217 0.030 . 1 . . . . 22 ALA HA . 10289 1 184 . 1 1 22 22 ALA HB1 H 1 1.425 0.030 . 1 . . . . 22 ALA HB . 10289 1 185 . 1 1 22 22 ALA HB2 H 1 1.425 0.030 . 1 . . . . 22 ALA HB . 10289 1 186 . 1 1 22 22 ALA HB3 H 1 1.425 0.030 . 1 . . . . 22 ALA HB . 10289 1 187 . 1 1 22 22 ALA C C 13 180.486 0.300 . 1 . . . . 22 ALA C . 10289 1 188 . 1 1 22 22 ALA CA C 13 54.954 0.300 . 1 . . . . 22 ALA CA . 10289 1 189 . 1 1 22 22 ALA CB C 13 17.934 0.300 . 1 . . . . 22 ALA CB . 10289 1 190 . 1 1 22 22 ALA N N 15 122.528 0.300 . 1 . . . . 22 ALA N . 10289 1 191 . 1 1 23 23 TYR H H 1 8.036 0.030 . 1 . . . . 23 TYR H . 10289 1 192 . 1 1 23 23 TYR HA H 1 4.291 0.030 . 1 . . . . 23 TYR HA . 10289 1 193 . 1 1 23 23 TYR HB2 H 1 3.348 0.030 . 2 . . . . 23 TYR HB2 . 10289 1 194 . 1 1 23 23 TYR HB3 H 1 3.173 0.030 . 2 . . . . 23 TYR HB3 . 10289 1 195 . 1 1 23 23 TYR HD1 H 1 7.251 0.030 . 1 . . . . 23 TYR HD1 . 10289 1 196 . 1 1 23 23 TYR HD2 H 1 7.251 0.030 . 1 . . . . 23 TYR HD2 . 10289 1 197 . 1 1 23 23 TYR HE1 H 1 6.696 0.030 . 1 . . . . 23 TYR HE1 . 10289 1 198 . 1 1 23 23 TYR HE2 H 1 6.696 0.030 . 1 . . . . 23 TYR HE2 . 10289 1 199 . 1 1 23 23 TYR C C 13 178.860 0.300 . 1 . . . . 23 TYR C . 10289 1 200 . 1 1 23 23 TYR CA C 13 62.616 0.300 . 1 . . . . 23 TYR CA . 10289 1 201 . 1 1 23 23 TYR CB C 13 38.455 0.300 . 1 . . . . 23 TYR CB . 10289 1 202 . 1 1 23 23 TYR CD1 C 13 133.292 0.300 . 1 . . . . 23 TYR CD1 . 10289 1 203 . 1 1 23 23 TYR CD2 C 13 133.292 0.300 . 1 . . . . 23 TYR CD2 . 10289 1 204 . 1 1 23 23 TYR CE1 C 13 118.134 0.300 . 1 . . . . 23 TYR CE1 . 10289 1 205 . 1 1 23 23 TYR CE2 C 13 118.134 0.300 . 1 . . . . 23 TYR CE2 . 10289 1 206 . 1 1 23 23 TYR N N 15 117.835 0.300 . 1 . . . . 23 TYR N . 10289 1 207 . 1 1 24 24 TYR H H 1 8.856 0.030 . 1 . . . . 24 TYR H . 10289 1 208 . 1 1 24 24 TYR HA H 1 4.420 0.030 . 1 . . . . 24 TYR HA . 10289 1 209 . 1 1 24 24 TYR HB2 H 1 3.251 0.030 . 2 . . . . 24 TYR HB2 . 10289 1 210 . 1 1 24 24 TYR HB3 H 1 3.203 0.030 . 2 . . . . 24 TYR HB3 . 10289 1 211 . 1 1 24 24 TYR HD1 H 1 7.104 0.030 . 1 . . . . 24 TYR HD1 . 10289 1 212 . 1 1 24 24 TYR HD2 H 1 7.104 0.030 . 1 . . . . 24 TYR HD2 . 10289 1 213 . 1 1 24 24 TYR HE1 H 1 6.874 0.030 . 1 . . . . 24 TYR HE1 . 10289 1 214 . 1 1 24 24 TYR HE2 H 1 6.874 0.030 . 1 . . . . 24 TYR HE2 . 10289 1 215 . 1 1 24 24 TYR C C 13 175.484 0.300 . 1 . . . . 24 TYR C . 10289 1 216 . 1 1 24 24 TYR CA C 13 61.291 0.300 . 1 . . . . 24 TYR CA . 10289 1 217 . 1 1 24 24 TYR CB C 13 38.629 0.300 . 1 . . . . 24 TYR CB . 10289 1 218 . 1 1 24 24 TYR CD1 C 13 133.331 0.300 . 1 . . . . 24 TYR CD1 . 10289 1 219 . 1 1 24 24 TYR CD2 C 13 133.331 0.300 . 1 . . . . 24 TYR CD2 . 10289 1 220 . 1 1 24 24 TYR CE1 C 13 118.306 0.300 . 1 . . . . 24 TYR CE1 . 10289 1 221 . 1 1 24 24 TYR CE2 C 13 118.306 0.300 . 1 . . . . 24 TYR CE2 . 10289 1 222 . 1 1 24 24 TYR N N 15 122.534 0.300 . 1 . . . . 24 TYR N . 10289 1 223 . 1 1 25 25 ALA H H 1 7.616 0.030 . 1 . . . . 25 ALA H . 10289 1 224 . 1 1 25 25 ALA HA H 1 4.084 0.030 . 1 . . . . 25 ALA HA . 10289 1 225 . 1 1 25 25 ALA HB1 H 1 1.524 0.030 . 1 . . . . 25 ALA HB . 10289 1 226 . 1 1 25 25 ALA HB2 H 1 1.524 0.030 . 1 . . . . 25 ALA HB . 10289 1 227 . 1 1 25 25 ALA HB3 H 1 1.524 0.030 . 1 . . . . 25 ALA HB . 10289 1 228 . 1 1 25 25 ALA C C 13 179.224 0.300 . 1 . . . . 25 ALA C . 10289 1 229 . 1 1 25 25 ALA CA C 13 53.893 0.300 . 1 . . . . 25 ALA CA . 10289 1 230 . 1 1 25 25 ALA CB C 13 18.433 0.300 . 1 . . . . 25 ALA CB . 10289 1 231 . 1 1 25 25 ALA N N 15 116.147 0.300 . 1 . . . . 25 ALA N . 10289 1 232 . 1 1 26 26 MET H H 1 7.379 0.030 . 1 . . . . 26 MET H . 10289 1 233 . 1 1 26 26 MET HA H 1 4.353 0.030 . 1 . . . . 26 MET HA . 10289 1 234 . 1 1 26 26 MET HB2 H 1 2.158 0.030 . 1 . . . . 26 MET HB2 . 10289 1 235 . 1 1 26 26 MET HB3 H 1 2.158 0.030 . 1 . . . . 26 MET HB3 . 10289 1 236 . 1 1 26 26 MET HE1 H 1 1.969 0.030 . 1 . . . . 26 MET HE . 10289 1 237 . 1 1 26 26 MET HE2 H 1 1.969 0.030 . 1 . . . . 26 MET HE . 10289 1 238 . 1 1 26 26 MET HE3 H 1 1.969 0.030 . 1 . . . . 26 MET HE . 10289 1 239 . 1 1 26 26 MET HG2 H 1 2.685 0.030 . 2 . . . . 26 MET HG2 . 10289 1 240 . 1 1 26 26 MET HG3 H 1 2.538 0.030 . 2 . . . . 26 MET HG3 . 10289 1 241 . 1 1 26 26 MET C C 13 176.529 0.300 . 1 . . . . 26 MET C . 10289 1 242 . 1 1 26 26 MET CA C 13 56.724 0.300 . 1 . . . . 26 MET CA . 10289 1 243 . 1 1 26 26 MET CB C 13 33.645 0.300 . 1 . . . . 26 MET CB . 10289 1 244 . 1 1 26 26 MET CE C 13 16.866 0.300 . 1 . . . . 26 MET CE . 10289 1 245 . 1 1 26 26 MET CG C 13 31.851 0.300 . 1 . . . . 26 MET CG . 10289 1 246 . 1 1 26 26 MET N N 15 114.990 0.300 . 1 . . . . 26 MET N . 10289 1 247 . 1 1 27 27 ASN H H 1 7.865 0.030 . 1 . . . . 27 ASN H . 10289 1 248 . 1 1 27 27 ASN HA H 1 4.562 0.030 . 1 . . . . 27 ASN HA . 10289 1 249 . 1 1 27 27 ASN HB2 H 1 2.822 0.030 . 1 . . . . 27 ASN HB2 . 10289 1 250 . 1 1 27 27 ASN HB3 H 1 2.822 0.030 . 1 . . . . 27 ASN HB3 . 10289 1 251 . 1 1 27 27 ASN HD21 H 1 6.530 0.030 . 2 . . . . 27 ASN HD21 . 10289 1 252 . 1 1 27 27 ASN HD22 H 1 7.621 0.030 . 2 . . . . 27 ASN HD22 . 10289 1 253 . 1 1 27 27 ASN C C 13 173.323 0.300 . 1 . . . . 27 ASN C . 10289 1 254 . 1 1 27 27 ASN CA C 13 53.143 0.300 . 1 . . . . 27 ASN CA . 10289 1 255 . 1 1 27 27 ASN CB C 13 38.096 0.300 . 1 . . . . 27 ASN CB . 10289 1 256 . 1 1 27 27 ASN N N 15 117.385 0.300 . 1 . . . . 27 ASN N . 10289 1 257 . 1 1 27 27 ASN ND2 N 15 110.204 0.300 . 1 . . . . 27 ASN ND2 . 10289 1 258 . 1 1 28 28 MET H H 1 8.400 0.030 . 1 . . . . 28 MET H . 10289 1 259 . 1 1 28 28 MET HA H 1 4.064 0.030 . 1 . . . . 28 MET HA . 10289 1 260 . 1 1 28 28 MET HB2 H 1 1.894 0.030 . 1 . . . . 28 MET HB2 . 10289 1 261 . 1 1 28 28 MET HB3 H 1 1.894 0.030 . 1 . . . . 28 MET HB3 . 10289 1 262 . 1 1 28 28 MET HE1 H 1 2.066 0.030 . 1 . . . . 28 MET HE . 10289 1 263 . 1 1 28 28 MET HE2 H 1 2.066 0.030 . 1 . . . . 28 MET HE . 10289 1 264 . 1 1 28 28 MET HE3 H 1 2.066 0.030 . 1 . . . . 28 MET HE . 10289 1 265 . 1 1 28 28 MET HG2 H 1 2.343 0.030 . 2 . . . . 28 MET HG2 . 10289 1 266 . 1 1 28 28 MET HG3 H 1 1.816 0.030 . 2 . . . . 28 MET HG3 . 10289 1 267 . 1 1 28 28 MET C C 13 175.557 0.300 . 1 . . . . 28 MET C . 10289 1 268 . 1 1 28 28 MET CA C 13 57.419 0.300 . 1 . . . . 28 MET CA . 10289 1 269 . 1 1 28 28 MET CB C 13 33.795 0.300 . 1 . . . . 28 MET CB . 10289 1 270 . 1 1 28 28 MET CE C 13 17.034 0.300 . 1 . . . . 28 MET CE . 10289 1 271 . 1 1 28 28 MET CG C 13 32.155 0.300 . 1 . . . . 28 MET CG . 10289 1 272 . 1 1 28 28 MET N N 15 121.660 0.300 . 1 . . . . 28 MET N . 10289 1 273 . 1 1 29 29 GLU H H 1 7.821 0.030 . 1 . . . . 29 GLU H . 10289 1 274 . 1 1 29 29 GLU HA H 1 4.757 0.030 . 1 . . . . 29 GLU HA . 10289 1 275 . 1 1 29 29 GLU HB2 H 1 1.806 0.030 . 2 . . . . 29 GLU HB2 . 10289 1 276 . 1 1 29 29 GLU HB3 H 1 2.036 0.030 . 2 . . . . 29 GLU HB3 . 10289 1 277 . 1 1 29 29 GLU HG2 H 1 2.173 0.030 . 1 . . . . 29 GLU HG2 . 10289 1 278 . 1 1 29 29 GLU HG3 H 1 2.173 0.030 . 1 . . . . 29 GLU HG3 . 10289 1 279 . 1 1 29 29 GLU C C 13 172.328 0.300 . 1 . . . . 29 GLU C . 10289 1 280 . 1 1 29 29 GLU CA C 13 53.293 0.300 . 1 . . . . 29 GLU CA . 10289 1 281 . 1 1 29 29 GLU CB C 13 30.761 0.300 . 1 . . . . 29 GLU CB . 10289 1 282 . 1 1 29 29 GLU CG C 13 36.429 0.300 . 1 . . . . 29 GLU CG . 10289 1 283 . 1 1 29 29 GLU N N 15 116.541 0.300 . 1 . . . . 29 GLU N . 10289 1 284 . 1 1 30 30 PRO HA H 1 4.475 0.030 . 1 . . . . 30 PRO HA . 10289 1 285 . 1 1 30 30 PRO HB2 H 1 1.582 0.030 . 2 . . . . 30 PRO HB2 . 10289 1 286 . 1 1 30 30 PRO HB3 H 1 1.756 0.030 . 2 . . . . 30 PRO HB3 . 10289 1 287 . 1 1 30 30 PRO HD2 H 1 3.239 0.030 . 1 . . . . 30 PRO HD2 . 10289 1 288 . 1 1 30 30 PRO HD3 H 1 3.239 0.030 . 1 . . . . 30 PRO HD3 . 10289 1 289 . 1 1 30 30 PRO HG2 H 1 1.154 0.030 . 2 . . . . 30 PRO HG2 . 10289 1 290 . 1 1 30 30 PRO HG3 H 1 0.671 0.030 . 2 . . . . 30 PRO HG3 . 10289 1 291 . 1 1 30 30 PRO C C 13 177.014 0.300 . 1 . . . . 30 PRO C . 10289 1 292 . 1 1 30 30 PRO CA C 13 62.603 0.300 . 1 . . . . 30 PRO CA . 10289 1 293 . 1 1 30 30 PRO CB C 13 31.915 0.300 . 1 . . . . 30 PRO CB . 10289 1 294 . 1 1 30 30 PRO CD C 13 50.608 0.300 . 1 . . . . 30 PRO CD . 10289 1 295 . 1 1 30 30 PRO CG C 13 26.622 0.300 . 1 . . . . 30 PRO CG . 10289 1 296 . 1 1 31 31 ASN H H 1 8.909 0.030 . 1 . . . . 31 ASN H . 10289 1 297 . 1 1 31 31 ASN HA H 1 4.673 0.030 . 1 . . . . 31 ASN HA . 10289 1 298 . 1 1 31 31 ASN HB2 H 1 2.948 0.030 . 2 . . . . 31 ASN HB2 . 10289 1 299 . 1 1 31 31 ASN HB3 H 1 3.383 0.030 . 2 . . . . 31 ASN HB3 . 10289 1 300 . 1 1 31 31 ASN HD21 H 1 6.969 0.030 . 2 . . . . 31 ASN HD21 . 10289 1 301 . 1 1 31 31 ASN HD22 H 1 7.468 0.030 . 2 . . . . 31 ASN HD22 . 10289 1 302 . 1 1 31 31 ASN C C 13 175.460 0.300 . 1 . . . . 31 ASN C . 10289 1 303 . 1 1 31 31 ASN CA C 13 51.303 0.300 . 1 . . . . 31 ASN CA . 10289 1 304 . 1 1 31 31 ASN CB C 13 38.261 0.300 . 1 . . . . 31 ASN CB . 10289 1 305 . 1 1 31 31 ASN N N 15 120.499 0.300 . 1 . . . . 31 ASN N . 10289 1 306 . 1 1 31 31 ASN ND2 N 15 111.302 0.300 . 1 . . . . 31 ASN ND2 . 10289 1 307 . 1 1 32 32 SER H H 1 8.486 0.030 . 1 . . . . 32 SER H . 10289 1 308 . 1 1 32 32 SER HA H 1 4.024 0.030 . 1 . . . . 32 SER HA . 10289 1 309 . 1 1 32 32 SER HB2 H 1 3.921 0.030 . 1 . . . . 32 SER HB2 . 10289 1 310 . 1 1 32 32 SER HB3 H 1 3.921 0.030 . 1 . . . . 32 SER HB3 . 10289 1 311 . 1 1 32 32 SER C C 13 176.650 0.300 . 1 . . . . 32 SER C . 10289 1 312 . 1 1 32 32 SER CA C 13 62.621 0.300 . 1 . . . . 32 SER CA . 10289 1 313 . 1 1 32 32 SER CB C 13 62.675 0.300 . 1 . . . . 32 SER CB . 10289 1 314 . 1 1 32 32 SER N N 15 112.460 0.300 . 1 . . . . 32 SER N . 10289 1 315 . 1 1 33 33 ASP H H 1 7.935 0.030 . 1 . . . . 33 ASP H . 10289 1 316 . 1 1 33 33 ASP HA H 1 4.441 0.030 . 1 . . . . 33 ASP HA . 10289 1 317 . 1 1 33 33 ASP HB2 H 1 2.745 0.030 . 2 . . . . 33 ASP HB2 . 10289 1 318 . 1 1 33 33 ASP HB3 H 1 2.662 0.030 . 2 . . . . 33 ASP HB3 . 10289 1 319 . 1 1 33 33 ASP C C 13 178.811 0.300 . 1 . . . . 33 ASP C . 10289 1 320 . 1 1 33 33 ASP CA C 13 57.456 0.300 . 1 . . . . 33 ASP CA . 10289 1 321 . 1 1 33 33 ASP CB C 13 40.870 0.300 . 1 . . . . 33 ASP CB . 10289 1 322 . 1 1 33 33 ASP N N 15 122.575 0.300 . 1 . . . . 33 ASP N . 10289 1 323 . 1 1 34 34 GLU H H 1 8.442 0.030 . 1 . . . . 34 GLU H . 10289 1 324 . 1 1 34 34 GLU HA H 1 3.898 0.030 . 1 . . . . 34 GLU HA . 10289 1 325 . 1 1 34 34 GLU HB2 H 1 2.139 0.030 . 2 . . . . 34 GLU HB2 . 10289 1 326 . 1 1 34 34 GLU HB3 H 1 1.848 0.030 . 2 . . . . 34 GLU HB3 . 10289 1 327 . 1 1 34 34 GLU HG2 H 1 2.448 0.030 . 2 . . . . 34 GLU HG2 . 10289 1 328 . 1 1 34 34 GLU HG3 H 1 2.242 0.030 . 2 . . . . 34 GLU HG3 . 10289 1 329 . 1 1 34 34 GLU C C 13 179.127 0.300 . 1 . . . . 34 GLU C . 10289 1 330 . 1 1 34 34 GLU CA C 13 59.041 0.300 . 1 . . . . 34 GLU CA . 10289 1 331 . 1 1 34 34 GLU CB C 13 29.854 0.300 . 1 . . . . 34 GLU CB . 10289 1 332 . 1 1 34 34 GLU CG C 13 36.855 0.300 . 1 . . . . 34 GLU CG . 10289 1 333 . 1 1 34 34 GLU N N 15 121.743 0.300 . 1 . . . . 34 GLU N . 10289 1 334 . 1 1 35 35 LEU H H 1 8.723 0.030 . 1 . . . . 35 LEU H . 10289 1 335 . 1 1 35 35 LEU HA H 1 3.735 0.030 . 1 . . . . 35 LEU HA . 10289 1 336 . 1 1 35 35 LEU HB2 H 1 1.319 0.030 . 2 . . . . 35 LEU HB2 . 10289 1 337 . 1 1 35 35 LEU HB3 H 1 1.868 0.030 . 2 . . . . 35 LEU HB3 . 10289 1 338 . 1 1 35 35 LEU HD11 H 1 0.749 0.030 . 1 . . . . 35 LEU HD1 . 10289 1 339 . 1 1 35 35 LEU HD12 H 1 0.749 0.030 . 1 . . . . 35 LEU HD1 . 10289 1 340 . 1 1 35 35 LEU HD13 H 1 0.749 0.030 . 1 . . . . 35 LEU HD1 . 10289 1 341 . 1 1 35 35 LEU HD21 H 1 0.545 0.030 . 1 . . . . 35 LEU HD2 . 10289 1 342 . 1 1 35 35 LEU HD22 H 1 0.545 0.030 . 1 . . . . 35 LEU HD2 . 10289 1 343 . 1 1 35 35 LEU HD23 H 1 0.545 0.030 . 1 . . . . 35 LEU HD2 . 10289 1 344 . 1 1 35 35 LEU HG H 1 1.442 0.030 . 1 . . . . 35 LEU HG . 10289 1 345 . 1 1 35 35 LEU C C 13 179.321 0.300 . 1 . . . . 35 LEU C . 10289 1 346 . 1 1 35 35 LEU CA C 13 58.118 0.300 . 1 . . . . 35 LEU CA . 10289 1 347 . 1 1 35 35 LEU CB C 13 42.428 0.300 . 1 . . . . 35 LEU CB . 10289 1 348 . 1 1 35 35 LEU CD1 C 13 25.582 0.300 . 2 . . . . 35 LEU CD1 . 10289 1 349 . 1 1 35 35 LEU CD2 C 13 24.775 0.300 . 2 . . . . 35 LEU CD2 . 10289 1 350 . 1 1 35 35 LEU CG C 13 27.039 0.300 . 1 . . . . 35 LEU CG . 10289 1 351 . 1 1 35 35 LEU N N 15 119.674 0.300 . 1 . . . . 35 LEU N . 10289 1 352 . 1 1 36 36 LEU H H 1 7.651 0.030 . 1 . . . . 36 LEU H . 10289 1 353 . 1 1 36 36 LEU HA H 1 4.039 0.030 . 1 . . . . 36 LEU HA . 10289 1 354 . 1 1 36 36 LEU HB2 H 1 1.709 0.030 . 2 . . . . 36 LEU HB2 . 10289 1 355 . 1 1 36 36 LEU HB3 H 1 2.015 0.030 . 2 . . . . 36 LEU HB3 . 10289 1 356 . 1 1 36 36 LEU HD11 H 1 0.942 0.030 . 1 . . . . 36 LEU HD1 . 10289 1 357 . 1 1 36 36 LEU HD12 H 1 0.942 0.030 . 1 . . . . 36 LEU HD1 . 10289 1 358 . 1 1 36 36 LEU HD13 H 1 0.942 0.030 . 1 . . . . 36 LEU HD1 . 10289 1 359 . 1 1 36 36 LEU HD21 H 1 0.948 0.030 . 1 . . . . 36 LEU HD2 . 10289 1 360 . 1 1 36 36 LEU HD22 H 1 0.948 0.030 . 1 . . . . 36 LEU HD2 . 10289 1 361 . 1 1 36 36 LEU HD23 H 1 0.948 0.030 . 1 . . . . 36 LEU HD2 . 10289 1 362 . 1 1 36 36 LEU HG H 1 1.611 0.030 . 1 . . . . 36 LEU HG . 10289 1 363 . 1 1 36 36 LEU C C 13 178.908 0.300 . 1 . . . . 36 LEU C . 10289 1 364 . 1 1 36 36 LEU CA C 13 58.414 0.300 . 1 . . . . 36 LEU CA . 10289 1 365 . 1 1 36 36 LEU CB C 13 41.040 0.300 . 1 . . . . 36 LEU CB . 10289 1 366 . 1 1 36 36 LEU CD1 C 13 23.171 0.300 . 2 . . . . 36 LEU CD1 . 10289 1 367 . 1 1 36 36 LEU CD2 C 13 25.333 0.300 . 2 . . . . 36 LEU CD2 . 10289 1 368 . 1 1 36 36 LEU CG C 13 27.016 0.300 . 1 . . . . 36 LEU CG . 10289 1 369 . 1 1 36 36 LEU N N 15 121.058 0.300 . 1 . . . . 36 LEU N . 10289 1 370 . 1 1 37 37 LYS H H 1 7.704 0.030 . 1 . . . . 37 LYS H . 10289 1 371 . 1 1 37 37 LYS HA H 1 3.874 0.030 . 1 . . . . 37 LYS HA . 10289 1 372 . 1 1 37 37 LYS HB2 H 1 1.899 0.030 . 2 . . . . 37 LYS HB2 . 10289 1 373 . 1 1 37 37 LYS HB3 H 1 1.939 0.030 . 2 . . . . 37 LYS HB3 . 10289 1 374 . 1 1 37 37 LYS HD2 H 1 1.667 0.030 . 2 . . . . 37 LYS HD2 . 10289 1 375 . 1 1 37 37 LYS HD3 H 1 1.702 0.030 . 2 . . . . 37 LYS HD3 . 10289 1 376 . 1 1 37 37 LYS HE2 H 1 2.970 0.030 . 2 . . . . 37 LYS HE2 . 10289 1 377 . 1 1 37 37 LYS HG2 H 1 1.416 0.030 . 2 . . . . 37 LYS HG2 . 10289 1 378 . 1 1 37 37 LYS HG3 H 1 1.643 0.030 . 2 . . . . 37 LYS HG3 . 10289 1 379 . 1 1 37 37 LYS C C 13 180.025 0.300 . 1 . . . . 37 LYS C . 10289 1 380 . 1 1 37 37 LYS CA C 13 60.345 0.300 . 1 . . . . 37 LYS CA . 10289 1 381 . 1 1 37 37 LYS CB C 13 32.327 0.300 . 1 . . . . 37 LYS CB . 10289 1 382 . 1 1 37 37 LYS CD C 13 29.369 0.300 . 1 . . . . 37 LYS CD . 10289 1 383 . 1 1 37 37 LYS CE C 13 42.063 0.300 . 1 . . . . 37 LYS CE . 10289 1 384 . 1 1 37 37 LYS CG C 13 25.719 0.300 . 1 . . . . 37 LYS CG . 10289 1 385 . 1 1 37 37 LYS N N 15 119.032 0.300 . 1 . . . . 37 LYS N . 10289 1 386 . 1 1 38 38 ILE H H 1 8.413 0.030 . 1 . . . . 38 ILE H . 10289 1 387 . 1 1 38 38 ILE HA H 1 3.296 0.030 . 1 . . . . 38 ILE HA . 10289 1 388 . 1 1 38 38 ILE HB H 1 1.602 0.030 . 1 . . . . 38 ILE HB . 10289 1 389 . 1 1 38 38 ILE HD11 H 1 0.476 0.030 . 1 . . . . 38 ILE HD1 . 10289 1 390 . 1 1 38 38 ILE HD12 H 1 0.476 0.030 . 1 . . . . 38 ILE HD1 . 10289 1 391 . 1 1 38 38 ILE HD13 H 1 0.476 0.030 . 1 . . . . 38 ILE HD1 . 10289 1 392 . 1 1 38 38 ILE HG12 H 1 0.084 0.030 . 2 . . . . 38 ILE HG12 . 10289 1 393 . 1 1 38 38 ILE HG13 H 1 1.540 0.030 . 2 . . . . 38 ILE HG13 . 10289 1 394 . 1 1 38 38 ILE HG21 H 1 0.573 0.030 . 1 . . . . 38 ILE HG2 . 10289 1 395 . 1 1 38 38 ILE HG22 H 1 0.573 0.030 . 1 . . . . 38 ILE HG2 . 10289 1 396 . 1 1 38 38 ILE HG23 H 1 0.573 0.030 . 1 . . . . 38 ILE HG2 . 10289 1 397 . 1 1 38 38 ILE C C 13 177.063 0.300 . 1 . . . . 38 ILE C . 10289 1 398 . 1 1 38 38 ILE CA C 13 65.479 0.300 . 1 . . . . 38 ILE CA . 10289 1 399 . 1 1 38 38 ILE CB C 13 38.384 0.300 . 1 . . . . 38 ILE CB . 10289 1 400 . 1 1 38 38 ILE CD1 C 13 14.021 0.300 . 1 . . . . 38 ILE CD1 . 10289 1 401 . 1 1 38 38 ILE CG1 C 13 28.564 0.300 . 1 . . . . 38 ILE CG1 . 10289 1 402 . 1 1 38 38 ILE CG2 C 13 17.920 0.300 . 1 . . . . 38 ILE CG2 . 10289 1 403 . 1 1 38 38 ILE N N 15 120.466 0.300 . 1 . . . . 38 ILE N . 10289 1 404 . 1 1 39 39 SER H H 1 8.183 0.030 . 1 . . . . 39 SER H . 10289 1 405 . 1 1 39 39 SER HA H 1 4.047 0.030 . 1 . . . . 39 SER HA . 10289 1 406 . 1 1 39 39 SER HB2 H 1 4.042 0.030 . 2 . . . . 39 SER HB2 . 10289 1 407 . 1 1 39 39 SER HB3 H 1 4.248 0.030 . 2 . . . . 39 SER HB3 . 10289 1 408 . 1 1 39 39 SER C C 13 176.359 0.300 . 1 . . . . 39 SER C . 10289 1 409 . 1 1 39 39 SER CA C 13 62.620 0.300 . 1 . . . . 39 SER CA . 10289 1 410 . 1 1 39 39 SER CB C 13 62.548 0.300 . 1 . . . . 39 SER CB . 10289 1 411 . 1 1 39 39 SER N N 15 115.371 0.300 . 1 . . . . 39 SER N . 10289 1 412 . 1 1 40 40 ILE H H 1 7.983 0.030 . 1 . . . . 40 ILE H . 10289 1 413 . 1 1 40 40 ILE HA H 1 3.785 0.030 . 1 . . . . 40 ILE HA . 10289 1 414 . 1 1 40 40 ILE HB H 1 1.823 0.030 . 1 . . . . 40 ILE HB . 10289 1 415 . 1 1 40 40 ILE HD11 H 1 0.838 0.030 . 1 . . . . 40 ILE HD1 . 10289 1 416 . 1 1 40 40 ILE HD12 H 1 0.838 0.030 . 1 . . . . 40 ILE HD1 . 10289 1 417 . 1 1 40 40 ILE HD13 H 1 0.838 0.030 . 1 . . . . 40 ILE HD1 . 10289 1 418 . 1 1 40 40 ILE HG12 H 1 1.150 0.030 . 2 . . . . 40 ILE HG12 . 10289 1 419 . 1 1 40 40 ILE HG13 H 1 1.760 0.030 . 2 . . . . 40 ILE HG13 . 10289 1 420 . 1 1 40 40 ILE HG21 H 1 0.916 0.030 . 1 . . . . 40 ILE HG2 . 10289 1 421 . 1 1 40 40 ILE HG22 H 1 0.916 0.030 . 1 . . . . 40 ILE HG2 . 10289 1 422 . 1 1 40 40 ILE HG23 H 1 0.916 0.030 . 1 . . . . 40 ILE HG2 . 10289 1 423 . 1 1 40 40 ILE C C 13 178.714 0.300 . 1 . . . . 40 ILE C . 10289 1 424 . 1 1 40 40 ILE CA C 13 64.307 0.300 . 1 . . . . 40 ILE CA . 10289 1 425 . 1 1 40 40 ILE CB C 13 38.440 0.300 . 1 . . . . 40 ILE CB . 10289 1 426 . 1 1 40 40 ILE CD1 C 13 13.256 0.300 . 1 . . . . 40 ILE CD1 . 10289 1 427 . 1 1 40 40 ILE CG1 C 13 29.080 0.300 . 1 . . . . 40 ILE CG1 . 10289 1 428 . 1 1 40 40 ILE CG2 C 13 17.028 0.300 . 1 . . . . 40 ILE CG2 . 10289 1 429 . 1 1 40 40 ILE N N 15 121.913 0.300 . 1 . . . . 40 ILE N . 10289 1 430 . 1 1 41 41 ALA H H 1 7.886 0.030 . 1 . . . . 41 ALA H . 10289 1 431 . 1 1 41 41 ALA HA H 1 4.157 0.030 . 1 . . . . 41 ALA HA . 10289 1 432 . 1 1 41 41 ALA HB1 H 1 1.566 0.030 . 1 . . . . 41 ALA HB . 10289 1 433 . 1 1 41 41 ALA HB2 H 1 1.566 0.030 . 1 . . . . 41 ALA HB . 10289 1 434 . 1 1 41 41 ALA HB3 H 1 1.566 0.030 . 1 . . . . 41 ALA HB . 10289 1 435 . 1 1 41 41 ALA C C 13 180.147 0.300 . 1 . . . . 41 ALA C . 10289 1 436 . 1 1 41 41 ALA CA C 13 55.268 0.300 . 1 . . . . 41 ALA CA . 10289 1 437 . 1 1 41 41 ALA CB C 13 18.646 0.300 . 1 . . . . 41 ALA CB . 10289 1 438 . 1 1 41 41 ALA N N 15 122.775 0.300 . 1 . . . . 41 ALA N . 10289 1 439 . 1 1 42 42 VAL H H 1 8.268 0.030 . 1 . . . . 42 VAL H . 10289 1 440 . 1 1 42 42 VAL HA H 1 4.352 0.030 . 1 . . . . 42 VAL HA . 10289 1 441 . 1 1 42 42 VAL HB H 1 2.248 0.030 . 1 . . . . 42 VAL HB . 10289 1 442 . 1 1 42 42 VAL HG11 H 1 0.963 0.030 . 1 . . . . 42 VAL HG1 . 10289 1 443 . 1 1 42 42 VAL HG12 H 1 0.963 0.030 . 1 . . . . 42 VAL HG1 . 10289 1 444 . 1 1 42 42 VAL HG13 H 1 0.963 0.030 . 1 . . . . 42 VAL HG1 . 10289 1 445 . 1 1 42 42 VAL HG21 H 1 0.966 0.030 . 1 . . . . 42 VAL HG2 . 10289 1 446 . 1 1 42 42 VAL HG22 H 1 0.966 0.030 . 1 . . . . 42 VAL HG2 . 10289 1 447 . 1 1 42 42 VAL HG23 H 1 0.966 0.030 . 1 . . . . 42 VAL HG2 . 10289 1 448 . 1 1 42 42 VAL C C 13 175.849 0.300 . 1 . . . . 42 VAL C . 10289 1 449 . 1 1 42 42 VAL CA C 13 61.352 0.300 . 1 . . . . 42 VAL CA . 10289 1 450 . 1 1 42 42 VAL CB C 13 32.632 0.300 . 1 . . . . 42 VAL CB . 10289 1 451 . 1 1 42 42 VAL CG1 C 13 21.977 0.300 . 2 . . . . 42 VAL CG1 . 10289 1 452 . 1 1 42 42 VAL CG2 C 13 20.575 0.300 . 2 . . . . 42 VAL CG2 . 10289 1 453 . 1 1 42 42 VAL N N 15 108.944 0.300 . 1 . . . . 42 VAL N . 10289 1 454 . 1 1 43 43 GLY H H 1 7.837 0.030 . 1 . . . . 43 GLY H . 10289 1 455 . 1 1 43 43 GLY HA2 H 1 3.937 0.030 . 2 . . . . 43 GLY HA2 . 10289 1 456 . 1 1 43 43 GLY HA3 H 1 3.852 0.030 . 2 . . . . 43 GLY HA3 . 10289 1 457 . 1 1 43 43 GLY C C 13 174.392 0.300 . 1 . . . . 43 GLY C . 10289 1 458 . 1 1 43 43 GLY CA C 13 46.770 0.300 . 1 . . . . 43 GLY CA . 10289 1 459 . 1 1 43 43 GLY N N 15 110.644 0.300 . 1 . . . . 43 GLY N . 10289 1 460 . 1 1 44 44 LEU H H 1 7.483 0.030 . 1 . . . . 44 LEU H . 10289 1 461 . 1 1 44 44 LEU HA H 1 4.833 0.030 . 1 . . . . 44 LEU HA . 10289 1 462 . 1 1 44 44 LEU HB2 H 1 1.109 0.030 . 1 . . . . 44 LEU HB2 . 10289 1 463 . 1 1 44 44 LEU HB3 H 1 1.109 0.030 . 1 . . . . 44 LEU HB3 . 10289 1 464 . 1 1 44 44 LEU HD11 H 1 0.473 0.030 . 1 . . . . 44 LEU HD1 . 10289 1 465 . 1 1 44 44 LEU HD12 H 1 0.473 0.030 . 1 . . . . 44 LEU HD1 . 10289 1 466 . 1 1 44 44 LEU HD13 H 1 0.473 0.030 . 1 . . . . 44 LEU HD1 . 10289 1 467 . 1 1 44 44 LEU HD21 H 1 0.392 0.030 . 1 . . . . 44 LEU HD2 . 10289 1 468 . 1 1 44 44 LEU HD22 H 1 0.392 0.030 . 1 . . . . 44 LEU HD2 . 10289 1 469 . 1 1 44 44 LEU HD23 H 1 0.392 0.030 . 1 . . . . 44 LEU HD2 . 10289 1 470 . 1 1 44 44 LEU HG H 1 1.249 0.030 . 1 . . . . 44 LEU HG . 10289 1 471 . 1 1 44 44 LEU C C 13 173.348 0.300 . 1 . . . . 44 LEU C . 10289 1 472 . 1 1 44 44 LEU CA C 13 51.178 0.300 . 1 . . . . 44 LEU CA . 10289 1 473 . 1 1 44 44 LEU CB C 13 45.096 0.300 . 1 . . . . 44 LEU CB . 10289 1 474 . 1 1 44 44 LEU CD1 C 13 25.517 0.300 . 2 . . . . 44 LEU CD1 . 10289 1 475 . 1 1 44 44 LEU CD2 C 13 22.475 0.300 . 2 . . . . 44 LEU CD2 . 10289 1 476 . 1 1 44 44 LEU CG C 13 26.132 0.300 . 1 . . . . 44 LEU CG . 10289 1 477 . 1 1 44 44 LEU N N 15 118.486 0.300 . 1 . . . . 44 LEU N . 10289 1 478 . 1 1 45 45 PRO HA H 1 4.447 0.030 . 1 . . . . 45 PRO HA . 10289 1 479 . 1 1 45 45 PRO HB2 H 1 1.924 0.030 . 2 . . . . 45 PRO HB2 . 10289 1 480 . 1 1 45 45 PRO HB3 H 1 2.579 0.030 . 2 . . . . 45 PRO HB3 . 10289 1 481 . 1 1 45 45 PRO HD2 H 1 3.238 0.030 . 2 . . . . 45 PRO HD2 . 10289 1 482 . 1 1 45 45 PRO HD3 H 1 3.753 0.030 . 2 . . . . 45 PRO HD3 . 10289 1 483 . 1 1 45 45 PRO HG2 H 1 2.016 0.030 . 2 . . . . 45 PRO HG2 . 10289 1 484 . 1 1 45 45 PRO HG3 H 1 2.098 0.030 . 2 . . . . 45 PRO HG3 . 10289 1 485 . 1 1 45 45 PRO C C 13 178.301 0.300 . 1 . . . . 45 PRO C . 10289 1 486 . 1 1 45 45 PRO CA C 13 62.740 0.300 . 1 . . . . 45 PRO CA . 10289 1 487 . 1 1 45 45 PRO CB C 13 32.626 0.300 . 1 . . . . 45 PRO CB . 10289 1 488 . 1 1 45 45 PRO CD C 13 50.649 0.300 . 1 . . . . 45 PRO CD . 10289 1 489 . 1 1 45 45 PRO CG C 13 28.006 0.300 . 1 . . . . 45 PRO CG . 10289 1 490 . 1 1 46 46 GLN H H 1 9.200 0.030 . 1 . . . . 46 GLN H . 10289 1 491 . 1 1 46 46 GLN HA H 1 4.007 0.030 . 1 . . . . 46 GLN HA . 10289 1 492 . 1 1 46 46 GLN HB2 H 1 2.121 0.030 . 1 . . . . 46 GLN HB2 . 10289 1 493 . 1 1 46 46 GLN HB3 H 1 2.121 0.030 . 1 . . . . 46 GLN HB3 . 10289 1 494 . 1 1 46 46 GLN HE21 H 1 6.762 0.030 . 2 . . . . 46 GLN HE21 . 10289 1 495 . 1 1 46 46 GLN HE22 H 1 7.267 0.030 . 2 . . . . 46 GLN HE22 . 10289 1 496 . 1 1 46 46 GLN HG2 H 1 2.323 0.030 . 1 . . . . 46 GLN HG2 . 10289 1 497 . 1 1 46 46 GLN HG3 H 1 2.323 0.030 . 1 . . . . 46 GLN HG3 . 10289 1 498 . 1 1 46 46 GLN C C 13 177.718 0.300 . 1 . . . . 46 GLN C . 10289 1 499 . 1 1 46 46 GLN CA C 13 60.099 0.300 . 1 . . . . 46 GLN CA . 10289 1 500 . 1 1 46 46 GLN CB C 13 28.371 0.300 . 1 . . . . 46 GLN CB . 10289 1 501 . 1 1 46 46 GLN CG C 13 33.802 0.300 . 1 . . . . 46 GLN CG . 10289 1 502 . 1 1 46 46 GLN N N 15 125.692 0.300 . 1 . . . . 46 GLN N . 10289 1 503 . 1 1 46 46 GLN NE2 N 15 110.025 0.300 . 1 . . . . 46 GLN NE2 . 10289 1 504 . 1 1 47 47 GLU H H 1 9.618 0.030 . 1 . . . . 47 GLU H . 10289 1 505 . 1 1 47 47 GLU HA H 1 4.036 0.030 . 1 . . . . 47 GLU HA . 10289 1 506 . 1 1 47 47 GLU HB2 H 1 2.055 0.030 . 1 . . . . 47 GLU HB2 . 10289 1 507 . 1 1 47 47 GLU HB3 H 1 2.055 0.030 . 1 . . . . 47 GLU HB3 . 10289 1 508 . 1 1 47 47 GLU HG2 H 1 2.400 0.030 . 2 . . . . 47 GLU HG2 . 10289 1 509 . 1 1 47 47 GLU HG3 H 1 2.369 0.030 . 2 . . . . 47 GLU HG3 . 10289 1 510 . 1 1 47 47 GLU C C 13 178.860 0.300 . 1 . . . . 47 GLU C . 10289 1 511 . 1 1 47 47 GLU CA C 13 60.029 0.300 . 1 . . . . 47 GLU CA . 10289 1 512 . 1 1 47 47 GLU CB C 13 28.746 0.300 . 1 . . . . 47 GLU CB . 10289 1 513 . 1 1 47 47 GLU CG C 13 36.394 0.300 . 1 . . . . 47 GLU CG . 10289 1 514 . 1 1 47 47 GLU N N 15 117.907 0.300 . 1 . . . . 47 GLU N . 10289 1 515 . 1 1 48 48 PHE H H 1 7.194 0.030 . 1 . . . . 48 PHE H . 10289 1 516 . 1 1 48 48 PHE HA H 1 4.385 0.030 . 1 . . . . 48 PHE HA . 10289 1 517 . 1 1 48 48 PHE HB2 H 1 3.189 0.030 . 2 . . . . 48 PHE HB2 . 10289 1 518 . 1 1 48 48 PHE HB3 H 1 3.309 0.030 . 2 . . . . 48 PHE HB3 . 10289 1 519 . 1 1 48 48 PHE HD1 H 1 7.097 0.030 . 1 . . . . 48 PHE HD1 . 10289 1 520 . 1 1 48 48 PHE HD2 H 1 7.097 0.030 . 1 . . . . 48 PHE HD2 . 10289 1 521 . 1 1 48 48 PHE HE1 H 1 7.158 0.030 . 1 . . . . 48 PHE HE1 . 10289 1 522 . 1 1 48 48 PHE HE2 H 1 7.158 0.030 . 1 . . . . 48 PHE HE2 . 10289 1 523 . 1 1 48 48 PHE HZ H 1 7.231 0.030 . 1 . . . . 48 PHE HZ . 10289 1 524 . 1 1 48 48 PHE C C 13 177.524 0.300 . 1 . . . . 48 PHE C . 10289 1 525 . 1 1 48 48 PHE CA C 13 60.699 0.300 . 1 . . . . 48 PHE CA . 10289 1 526 . 1 1 48 48 PHE CB C 13 39.190 0.300 . 1 . . . . 48 PHE CB . 10289 1 527 . 1 1 48 48 PHE CD1 C 13 131.616 0.300 . 1 . . . . 48 PHE CD1 . 10289 1 528 . 1 1 48 48 PHE CD2 C 13 131.616 0.300 . 1 . . . . 48 PHE CD2 . 10289 1 529 . 1 1 48 48 PHE CE1 C 13 131.409 0.300 . 1 . . . . 48 PHE CE1 . 10289 1 530 . 1 1 48 48 PHE CE2 C 13 131.409 0.300 . 1 . . . . 48 PHE CE2 . 10289 1 531 . 1 1 48 48 PHE CZ C 13 129.957 0.300 . 1 . . . . 48 PHE CZ . 10289 1 532 . 1 1 48 48 PHE N N 15 119.141 0.300 . 1 . . . . 48 PHE N . 10289 1 533 . 1 1 49 49 VAL H H 1 7.761 0.030 . 1 . . . . 49 VAL H . 10289 1 534 . 1 1 49 49 VAL HA H 1 3.509 0.030 . 1 . . . . 49 VAL HA . 10289 1 535 . 1 1 49 49 VAL HB H 1 2.214 0.030 . 1 . . . . 49 VAL HB . 10289 1 536 . 1 1 49 49 VAL HG11 H 1 1.088 0.030 . 1 . . . . 49 VAL HG1 . 10289 1 537 . 1 1 49 49 VAL HG12 H 1 1.088 0.030 . 1 . . . . 49 VAL HG1 . 10289 1 538 . 1 1 49 49 VAL HG13 H 1 1.088 0.030 . 1 . . . . 49 VAL HG1 . 10289 1 539 . 1 1 49 49 VAL HG21 H 1 0.940 0.030 . 1 . . . . 49 VAL HG2 . 10289 1 540 . 1 1 49 49 VAL HG22 H 1 0.940 0.030 . 1 . . . . 49 VAL HG2 . 10289 1 541 . 1 1 49 49 VAL HG23 H 1 0.940 0.030 . 1 . . . . 49 VAL HG2 . 10289 1 542 . 1 1 49 49 VAL C C 13 177.306 0.300 . 1 . . . . 49 VAL C . 10289 1 543 . 1 1 49 49 VAL CA C 13 67.242 0.300 . 1 . . . . 49 VAL CA . 10289 1 544 . 1 1 49 49 VAL CB C 13 31.844 0.300 . 1 . . . . 49 VAL CB . 10289 1 545 . 1 1 49 49 VAL CG1 C 13 22.684 0.300 . 2 . . . . 49 VAL CG1 . 10289 1 546 . 1 1 49 49 VAL CG2 C 13 24.008 0.300 . 2 . . . . 49 VAL CG2 . 10289 1 547 . 1 1 49 49 VAL N N 15 120.478 0.300 . 1 . . . . 49 VAL N . 10289 1 548 . 1 1 50 50 LYS H H 1 8.751 0.030 . 1 . . . . 50 LYS H . 10289 1 549 . 1 1 50 50 LYS HA H 1 4.023 0.030 . 1 . . . . 50 LYS HA . 10289 1 550 . 1 1 50 50 LYS HB2 H 1 1.922 0.030 . 2 . . . . 50 LYS HB2 . 10289 1 551 . 1 1 50 50 LYS HB3 H 1 1.978 0.030 . 2 . . . . 50 LYS HB3 . 10289 1 552 . 1 1 50 50 LYS HD2 H 1 1.671 0.030 . 2 . . . . 50 LYS HD2 . 10289 1 553 . 1 1 50 50 LYS HD3 H 1 1.707 0.030 . 2 . . . . 50 LYS HD3 . 10289 1 554 . 1 1 50 50 LYS HE2 H 1 2.999 0.030 . 2 . . . . 50 LYS HE2 . 10289 1 555 . 1 1 50 50 LYS HG2 H 1 1.406 0.030 . 2 . . . . 50 LYS HG2 . 10289 1 556 . 1 1 50 50 LYS HG3 H 1 1.490 0.030 . 2 . . . . 50 LYS HG3 . 10289 1 557 . 1 1 50 50 LYS C C 13 178.593 0.300 . 1 . . . . 50 LYS C . 10289 1 558 . 1 1 50 50 LYS CA C 13 60.274 0.300 . 1 . . . . 50 LYS CA . 10289 1 559 . 1 1 50 50 LYS CB C 13 32.821 0.300 . 1 . . . . 50 LYS CB . 10289 1 560 . 1 1 50 50 LYS CD C 13 29.587 0.300 . 1 . . . . 50 LYS CD . 10289 1 561 . 1 1 50 50 LYS CE C 13 42.146 0.300 . 1 . . . . 50 LYS CE . 10289 1 562 . 1 1 50 50 LYS CG C 13 24.681 0.300 . 1 . . . . 50 LYS CG . 10289 1 563 . 1 1 50 50 LYS N N 15 119.513 0.300 . 1 . . . . 50 LYS N . 10289 1 564 . 1 1 51 51 GLU H H 1 7.636 0.030 . 1 . . . . 51 GLU H . 10289 1 565 . 1 1 51 51 GLU HA H 1 4.110 0.030 . 1 . . . . 51 GLU HA . 10289 1 566 . 1 1 51 51 GLU HB2 H 1 2.058 0.030 . 2 . . . . 51 GLU HB2 . 10289 1 567 . 1 1 51 51 GLU HB3 H 1 2.127 0.030 . 2 . . . . 51 GLU HB3 . 10289 1 568 . 1 1 51 51 GLU HG2 H 1 2.255 0.030 . 2 . . . . 51 GLU HG2 . 10289 1 569 . 1 1 51 51 GLU HG3 H 1 2.404 0.030 . 2 . . . . 51 GLU HG3 . 10289 1 570 . 1 1 51 51 GLU C C 13 177.791 0.300 . 1 . . . . 51 GLU C . 10289 1 571 . 1 1 51 51 GLU CA C 13 59.253 0.300 . 1 . . . . 51 GLU CA . 10289 1 572 . 1 1 51 51 GLU CB C 13 29.442 0.300 . 1 . . . . 51 GLU CB . 10289 1 573 . 1 1 51 51 GLU CG C 13 36.333 0.300 . 1 . . . . 51 GLU CG . 10289 1 574 . 1 1 51 51 GLU N N 15 118.681 0.300 . 1 . . . . 51 GLU N . 10289 1 575 . 1 1 52 52 TRP H H 1 8.396 0.030 . 1 . . . . 52 TRP H . 10289 1 576 . 1 1 52 52 TRP HA H 1 3.794 0.030 . 1 . . . . 52 TRP HA . 10289 1 577 . 1 1 52 52 TRP HB2 H 1 2.761 0.030 . 2 . . . . 52 TRP HB2 . 10289 1 578 . 1 1 52 52 TRP HB3 H 1 3.399 0.030 . 2 . . . . 52 TRP HB3 . 10289 1 579 . 1 1 52 52 TRP HD1 H 1 6.995 0.030 . 1 . . . . 52 TRP HD1 . 10289 1 580 . 1 1 52 52 TRP HE1 H 1 9.757 0.030 . 1 . . . . 52 TRP HE1 . 10289 1 581 . 1 1 52 52 TRP HE3 H 1 6.729 0.030 . 1 . . . . 52 TRP HE3 . 10289 1 582 . 1 1 52 52 TRP HH2 H 1 6.350 0.030 . 1 . . . . 52 TRP HH2 . 10289 1 583 . 1 1 52 52 TRP HZ2 H 1 7.041 0.030 . 1 . . . . 52 TRP HZ2 . 10289 1 584 . 1 1 52 52 TRP HZ3 H 1 5.901 0.030 . 1 . . . . 52 TRP HZ3 . 10289 1 585 . 1 1 52 52 TRP C C 13 179.709 0.300 . 1 . . . . 52 TRP C . 10289 1 586 . 1 1 52 52 TRP CA C 13 62.688 0.300 . 1 . . . . 52 TRP CA . 10289 1 587 . 1 1 52 52 TRP CB C 13 28.806 0.300 . 1 . . . . 52 TRP CB . 10289 1 588 . 1 1 52 52 TRP CD1 C 13 126.868 0.300 . 1 . . . . 52 TRP CD1 . 10289 1 589 . 1 1 52 52 TRP CE3 C 13 121.050 0.300 . 1 . . . . 52 TRP CE3 . 10289 1 590 . 1 1 52 52 TRP CH2 C 13 122.611 0.300 . 1 . . . . 52 TRP CH2 . 10289 1 591 . 1 1 52 52 TRP CZ2 C 13 113.568 0.300 . 1 . . . . 52 TRP CZ2 . 10289 1 592 . 1 1 52 52 TRP CZ3 C 13 121.074 0.300 . 1 . . . . 52 TRP CZ3 . 10289 1 593 . 1 1 52 52 TRP N N 15 121.740 0.300 . 1 . . . . 52 TRP N . 10289 1 594 . 1 1 52 52 TRP NE1 N 15 128.825 0.300 . 1 . . . . 52 TRP NE1 . 10289 1 595 . 1 1 53 53 PHE H H 1 8.602 0.030 . 1 . . . . 53 PHE H . 10289 1 596 . 1 1 53 53 PHE HA H 1 3.899 0.030 . 1 . . . . 53 PHE HA . 10289 1 597 . 1 1 53 53 PHE HB2 H 1 3.296 0.030 . 2 . . . . 53 PHE HB2 . 10289 1 598 . 1 1 53 53 PHE HB3 H 1 3.403 0.030 . 2 . . . . 53 PHE HB3 . 10289 1 599 . 1 1 53 53 PHE HD1 H 1 7.870 0.030 . 1 . . . . 53 PHE HD1 . 10289 1 600 . 1 1 53 53 PHE HD2 H 1 7.870 0.030 . 1 . . . . 53 PHE HD2 . 10289 1 601 . 1 1 53 53 PHE HE1 H 1 7.553 0.030 . 1 . . . . 53 PHE HE1 . 10289 1 602 . 1 1 53 53 PHE HE2 H 1 7.553 0.030 . 1 . . . . 53 PHE HE2 . 10289 1 603 . 1 1 53 53 PHE HZ H 1 7.321 0.030 . 1 . . . . 53 PHE HZ . 10289 1 604 . 1 1 53 53 PHE C C 13 179.297 0.300 . 1 . . . . 53 PHE C . 10289 1 605 . 1 1 53 53 PHE CA C 13 63.414 0.300 . 1 . . . . 53 PHE CA . 10289 1 606 . 1 1 53 53 PHE CB C 13 39.480 0.300 . 1 . . . . 53 PHE CB . 10289 1 607 . 1 1 53 53 PHE CD1 C 13 132.653 0.300 . 1 . . . . 53 PHE CD1 . 10289 1 608 . 1 1 53 53 PHE CD2 C 13 132.653 0.300 . 1 . . . . 53 PHE CD2 . 10289 1 609 . 1 1 53 53 PHE CE1 C 13 131.595 0.300 . 1 . . . . 53 PHE CE1 . 10289 1 610 . 1 1 53 53 PHE CE2 C 13 131.595 0.300 . 1 . . . . 53 PHE CE2 . 10289 1 611 . 1 1 53 53 PHE CZ C 13 129.476 0.300 . 1 . . . . 53 PHE CZ . 10289 1 612 . 1 1 53 53 PHE N N 15 117.648 0.300 . 1 . . . . 53 PHE N . 10289 1 613 . 1 1 54 54 GLU H H 1 8.372 0.030 . 1 . . . . 54 GLU H . 10289 1 614 . 1 1 54 54 GLU HA H 1 4.070 0.030 . 1 . . . . 54 GLU HA . 10289 1 615 . 1 1 54 54 GLU HB2 H 1 2.093 0.030 . 2 . . . . 54 GLU HB2 . 10289 1 616 . 1 1 54 54 GLU HB3 H 1 2.254 0.030 . 2 . . . . 54 GLU HB3 . 10289 1 617 . 1 1 54 54 GLU HG2 H 1 2.382 0.030 . 2 . . . . 54 GLU HG2 . 10289 1 618 . 1 1 54 54 GLU HG3 H 1 2.492 0.030 . 2 . . . . 54 GLU HG3 . 10289 1 619 . 1 1 54 54 GLU C C 13 179.540 0.300 . 1 . . . . 54 GLU C . 10289 1 620 . 1 1 54 54 GLU CA C 13 59.676 0.300 . 1 . . . . 54 GLU CA . 10289 1 621 . 1 1 54 54 GLU CB C 13 29.448 0.300 . 1 . . . . 54 GLU CB . 10289 1 622 . 1 1 54 54 GLU CG C 13 36.421 0.300 . 1 . . . . 54 GLU CG . 10289 1 623 . 1 1 54 54 GLU N N 15 120.198 0.300 . 1 . . . . 54 GLU N . 10289 1 624 . 1 1 55 55 GLN H H 1 8.275 0.030 . 1 . . . . 55 GLN H . 10289 1 625 . 1 1 55 55 GLN HA H 1 3.975 0.030 . 1 . . . . 55 GLN HA . 10289 1 626 . 1 1 55 55 GLN HB2 H 1 1.925 0.030 . 1 . . . . 55 GLN HB2 . 10289 1 627 . 1 1 55 55 GLN HB3 H 1 1.925 0.030 . 1 . . . . 55 GLN HB3 . 10289 1 628 . 1 1 55 55 GLN HE21 H 1 7.450 0.030 . 2 . . . . 55 GLN HE21 . 10289 1 629 . 1 1 55 55 GLN HE22 H 1 6.657 0.030 . 2 . . . . 55 GLN HE22 . 10289 1 630 . 1 1 55 55 GLN HG2 H 1 2.336 0.030 . 2 . . . . 55 GLN HG2 . 10289 1 631 . 1 1 55 55 GLN HG3 H 1 2.481 0.030 . 2 . . . . 55 GLN HG3 . 10289 1 632 . 1 1 55 55 GLN C C 13 177.913 0.300 . 1 . . . . 55 GLN C . 10289 1 633 . 1 1 55 55 GLN CA C 13 57.773 0.300 . 1 . . . . 55 GLN CA . 10289 1 634 . 1 1 55 55 GLN CB C 13 28.075 0.300 . 1 . . . . 55 GLN CB . 10289 1 635 . 1 1 55 55 GLN CG C 13 34.056 0.300 . 1 . . . . 55 GLN CG . 10289 1 636 . 1 1 55 55 GLN N N 15 117.674 0.300 . 1 . . . . 55 GLN N . 10289 1 637 . 1 1 55 55 GLN NE2 N 15 111.772 0.300 . 1 . . . . 55 GLN NE2 . 10289 1 638 . 1 1 56 56 ARG H H 1 7.413 0.030 . 1 . . . . 56 ARG H . 10289 1 639 . 1 1 56 56 ARG HA H 1 3.727 0.030 . 1 . . . . 56 ARG HA . 10289 1 640 . 1 1 56 56 ARG HB2 H 1 1.027 0.030 . 2 . . . . 56 ARG HB2 . 10289 1 641 . 1 1 56 56 ARG HB3 H 1 1.375 0.030 . 2 . . . . 56 ARG HB3 . 10289 1 642 . 1 1 56 56 ARG HD2 H 1 1.824 0.030 . 2 . . . . 56 ARG HD2 . 10289 1 643 . 1 1 56 56 ARG HD3 H 1 1.612 0.030 . 2 . . . . 56 ARG HD3 . 10289 1 644 . 1 1 56 56 ARG HG2 H 1 0.553 0.030 . 1 . . . . 56 ARG HG2 . 10289 1 645 . 1 1 56 56 ARG HG3 H 1 0.553 0.030 . 1 . . . . 56 ARG HG3 . 10289 1 646 . 1 1 56 56 ARG C C 13 177.670 0.300 . 1 . . . . 56 ARG C . 10289 1 647 . 1 1 56 56 ARG CA C 13 57.278 0.300 . 1 . . . . 56 ARG CA . 10289 1 648 . 1 1 56 56 ARG CB C 13 29.564 0.300 . 1 . . . . 56 ARG CB . 10289 1 649 . 1 1 56 56 ARG CD C 13 42.274 0.300 . 1 . . . . 56 ARG CD . 10289 1 650 . 1 1 56 56 ARG CG C 13 25.625 0.300 . 1 . . . . 56 ARG CG . 10289 1 651 . 1 1 56 56 ARG N N 15 119.111 0.300 . 1 . . . . 56 ARG N . 10289 1 652 . 1 1 57 57 LYS H H 1 7.468 0.030 . 1 . . . . 57 LYS H . 10289 1 653 . 1 1 57 57 LYS HA H 1 4.215 0.030 . 1 . . . . 57 LYS HA . 10289 1 654 . 1 1 57 57 LYS HB2 H 1 1.956 0.030 . 1 . . . . 57 LYS HB2 . 10289 1 655 . 1 1 57 57 LYS HB3 H 1 1.956 0.030 . 1 . . . . 57 LYS HB3 . 10289 1 656 . 1 1 57 57 LYS HD2 H 1 1.764 0.030 . 1 . . . . 57 LYS HD2 . 10289 1 657 . 1 1 57 57 LYS HD3 H 1 1.764 0.030 . 1 . . . . 57 LYS HD3 . 10289 1 658 . 1 1 57 57 LYS HE2 H 1 2.977 0.030 . 1 . . . . 57 LYS HE2 . 10289 1 659 . 1 1 57 57 LYS HE3 H 1 2.977 0.030 . 1 . . . . 57 LYS HE3 . 10289 1 660 . 1 1 57 57 LYS HG2 H 1 1.486 0.030 . 2 . . . . 57 LYS HG2 . 10289 1 661 . 1 1 57 57 LYS HG3 H 1 1.641 0.030 . 2 . . . . 57 LYS HG3 . 10289 1 662 . 1 1 57 57 LYS C C 13 177.937 0.300 . 1 . . . . 57 LYS C . 10289 1 663 . 1 1 57 57 LYS CA C 13 58.454 0.300 . 1 . . . . 57 LYS CA . 10289 1 664 . 1 1 57 57 LYS CB C 13 32.656 0.300 . 1 . . . . 57 LYS CB . 10289 1 665 . 1 1 57 57 LYS CD C 13 29.535 0.300 . 1 . . . . 57 LYS CD . 10289 1 666 . 1 1 57 57 LYS CE C 13 42.175 0.300 . 1 . . . . 57 LYS CE . 10289 1 667 . 1 1 57 57 LYS CG C 13 25.221 0.300 . 1 . . . . 57 LYS CG . 10289 1 668 . 1 1 57 57 LYS N N 15 118.984 0.300 . 1 . . . . 57 LYS N . 10289 1 669 . 1 1 58 58 VAL H H 1 7.564 0.030 . 1 . . . . 58 VAL H . 10289 1 670 . 1 1 58 58 VAL HA H 1 3.866 0.030 . 1 . . . . 58 VAL HA . 10289 1 671 . 1 1 58 58 VAL HB H 1 2.021 0.030 . 1 . . . . 58 VAL HB . 10289 1 672 . 1 1 58 58 VAL HG11 H 1 0.786 0.030 . 1 . . . . 58 VAL HG1 . 10289 1 673 . 1 1 58 58 VAL HG12 H 1 0.786 0.030 . 1 . . . . 58 VAL HG1 . 10289 1 674 . 1 1 58 58 VAL HG13 H 1 0.786 0.030 . 1 . . . . 58 VAL HG1 . 10289 1 675 . 1 1 58 58 VAL HG21 H 1 0.935 0.030 . 1 . . . . 58 VAL HG2 . 10289 1 676 . 1 1 58 58 VAL HG22 H 1 0.935 0.030 . 1 . . . . 58 VAL HG2 . 10289 1 677 . 1 1 58 58 VAL HG23 H 1 0.935 0.030 . 1 . . . . 58 VAL HG2 . 10289 1 678 . 1 1 58 58 VAL C C 13 177.306 0.300 . 1 . . . . 58 VAL C . 10289 1 679 . 1 1 58 58 VAL CA C 13 64.013 0.300 . 1 . . . . 58 VAL CA . 10289 1 680 . 1 1 58 58 VAL CB C 13 32.128 0.300 . 1 . . . . 58 VAL CB . 10289 1 681 . 1 1 58 58 VAL CG1 C 13 21.035 0.300 . 2 . . . . 58 VAL CG1 . 10289 1 682 . 1 1 58 58 VAL CG2 C 13 21.342 0.300 . 2 . . . . 58 VAL CG2 . 10289 1 683 . 1 1 58 58 VAL N N 15 118.037 0.300 . 1 . . . . 58 VAL N . 10289 1 684 . 1 1 59 59 TYR H H 1 7.871 0.030 . 1 . . . . 59 TYR H . 10289 1 685 . 1 1 59 59 TYR HA H 1 4.381 0.030 . 1 . . . . 59 TYR HA . 10289 1 686 . 1 1 59 59 TYR HB2 H 1 2.900 0.030 . 2 . . . . 59 TYR HB2 . 10289 1 687 . 1 1 59 59 TYR HB3 H 1 2.990 0.030 . 2 . . . . 59 TYR HB3 . 10289 1 688 . 1 1 59 59 TYR HD1 H 1 7.027 0.030 . 1 . . . . 59 TYR HD1 . 10289 1 689 . 1 1 59 59 TYR HD2 H 1 7.027 0.030 . 1 . . . . 59 TYR HD2 . 10289 1 690 . 1 1 59 59 TYR HE1 H 1 6.736 0.030 . 1 . . . . 59 TYR HE1 . 10289 1 691 . 1 1 59 59 TYR HE2 H 1 6.736 0.030 . 1 . . . . 59 TYR HE2 . 10289 1 692 . 1 1 59 59 TYR C C 13 176.577 0.300 . 1 . . . . 59 TYR C . 10289 1 693 . 1 1 59 59 TYR CA C 13 59.112 0.300 . 1 . . . . 59 TYR CA . 10289 1 694 . 1 1 59 59 TYR CB C 13 38.382 0.300 . 1 . . . . 59 TYR CB . 10289 1 695 . 1 1 59 59 TYR CD1 C 13 132.985 0.300 . 1 . . . . 59 TYR CD1 . 10289 1 696 . 1 1 59 59 TYR CD2 C 13 132.985 0.300 . 1 . . . . 59 TYR CD2 . 10289 1 697 . 1 1 59 59 TYR CE1 C 13 118.164 0.300 . 1 . . . . 59 TYR CE1 . 10289 1 698 . 1 1 59 59 TYR CE2 C 13 118.164 0.300 . 1 . . . . 59 TYR CE2 . 10289 1 699 . 1 1 59 59 TYR N N 15 121.466 0.300 . 1 . . . . 59 TYR N . 10289 1 700 . 1 1 60 60 GLN H H 1 8.074 0.030 . 1 . . . . 60 GLN H . 10289 1 701 . 1 1 60 60 GLN HA H 1 4.103 0.030 . 1 . . . . 60 GLN HA . 10289 1 702 . 1 1 60 60 GLN HB2 H 1 1.970 0.030 . 1 . . . . 60 GLN HB2 . 10289 1 703 . 1 1 60 60 GLN HB3 H 1 1.970 0.030 . 1 . . . . 60 GLN HB3 . 10289 1 704 . 1 1 60 60 GLN HE21 H 1 6.848 0.030 . 2 . . . . 60 GLN HE21 . 10289 1 705 . 1 1 60 60 GLN HE22 H 1 7.428 0.030 . 2 . . . . 60 GLN HE22 . 10289 1 706 . 1 1 60 60 GLN HG2 H 1 2.189 0.030 . 1 . . . . 60 GLN HG2 . 10289 1 707 . 1 1 60 60 GLN HG3 H 1 2.189 0.030 . 1 . . . . 60 GLN HG3 . 10289 1 708 . 1 1 60 60 GLN C C 13 176.334 0.300 . 1 . . . . 60 GLN C . 10289 1 709 . 1 1 60 60 GLN CA C 13 56.820 0.300 . 1 . . . . 60 GLN CA . 10289 1 710 . 1 1 60 60 GLN CB C 13 29.003 0.300 . 1 . . . . 60 GLN CB . 10289 1 711 . 1 1 60 60 GLN CG C 13 33.517 0.300 . 1 . . . . 60 GLN CG . 10289 1 712 . 1 1 60 60 GLN N N 15 120.517 0.300 . 1 . . . . 60 GLN N . 10289 1 713 . 1 1 60 60 GLN NE2 N 15 112.201 0.300 . 1 . . . . 60 GLN NE2 . 10289 1 714 . 1 1 61 61 TYR H H 1 8.001 0.030 . 1 . . . . 61 TYR H . 10289 1 715 . 1 1 61 61 TYR HA H 1 4.544 0.030 . 1 . . . . 61 TYR HA . 10289 1 716 . 1 1 61 61 TYR HB2 H 1 2.977 0.030 . 2 . . . . 61 TYR HB2 . 10289 1 717 . 1 1 61 61 TYR HB3 H 1 3.136 0.030 . 2 . . . . 61 TYR HB3 . 10289 1 718 . 1 1 61 61 TYR HD1 H 1 7.155 0.030 . 1 . . . . 61 TYR HD1 . 10289 1 719 . 1 1 61 61 TYR HD2 H 1 7.155 0.030 . 1 . . . . 61 TYR HD2 . 10289 1 720 . 1 1 61 61 TYR HE1 H 1 6.815 0.030 . 1 . . . . 61 TYR HE1 . 10289 1 721 . 1 1 61 61 TYR HE2 H 1 6.815 0.030 . 1 . . . . 61 TYR HE2 . 10289 1 722 . 1 1 61 61 TYR C C 13 176.456 0.300 . 1 . . . . 61 TYR C . 10289 1 723 . 1 1 61 61 TYR CA C 13 58.442 0.300 . 1 . . . . 61 TYR CA . 10289 1 724 . 1 1 61 61 TYR CB C 13 38.408 0.300 . 1 . . . . 61 TYR CB . 10289 1 725 . 1 1 61 61 TYR CD1 C 13 133.138 0.300 . 1 . . . . 61 TYR CD1 . 10289 1 726 . 1 1 61 61 TYR CD2 C 13 133.138 0.300 . 1 . . . . 61 TYR CD2 . 10289 1 727 . 1 1 61 61 TYR CE1 C 13 118.194 0.300 . 1 . . . . 61 TYR CE1 . 10289 1 728 . 1 1 61 61 TYR CE2 C 13 118.194 0.300 . 1 . . . . 61 TYR CE2 . 10289 1 729 . 1 1 61 61 TYR N N 15 119.641 0.300 . 1 . . . . 61 TYR N . 10289 1 730 . 1 1 62 62 SER H H 1 8.071 0.030 . 1 . . . . 62 SER H . 10289 1 731 . 1 1 62 62 SER HA H 1 4.371 0.030 . 1 . . . . 62 SER HA . 10289 1 732 . 1 1 62 62 SER HB2 H 1 3.881 0.030 . 2 . . . . 62 SER HB2 . 10289 1 733 . 1 1 62 62 SER HB3 H 1 3.847 0.030 . 2 . . . . 62 SER HB3 . 10289 1 734 . 1 1 62 62 SER C C 13 174.440 0.300 . 1 . . . . 62 SER C . 10289 1 735 . 1 1 62 62 SER CA C 13 58.830 0.300 . 1 . . . . 62 SER CA . 10289 1 736 . 1 1 62 62 SER CB C 13 63.806 0.300 . 1 . . . . 62 SER CB . 10289 1 737 . 1 1 62 62 SER N N 15 116.272 0.300 . 1 . . . . 62 SER N . 10289 1 738 . 1 1 63 63 ASN HA H 1 4.737 0.030 . 1 . . . . 63 ASN HA . 10289 1 739 . 1 1 63 63 ASN HB2 H 1 2.717 0.030 . 2 . . . . 63 ASN HB2 . 10289 1 740 . 1 1 63 63 ASN HB3 H 1 2.830 0.030 . 2 . . . . 63 ASN HB3 . 10289 1 741 . 1 1 63 63 ASN HD21 H 1 7.496 0.030 . 2 . . . . 63 ASN HD21 . 10289 1 742 . 1 1 63 63 ASN HD22 H 1 6.843 0.030 . 2 . . . . 63 ASN HD22 . 10289 1 743 . 1 1 63 63 ASN CA C 13 50.823 0.300 . 1 . . . . 63 ASN CA . 10289 1 744 . 1 1 63 63 ASN CB C 13 38.920 0.300 . 1 . . . . 63 ASN CB . 10289 1 745 . 1 1 63 63 ASN ND2 N 15 112.913 0.300 . 1 . . . . 63 ASN ND2 . 10289 1 746 . 1 1 64 64 SER HA H 1 4.407 0.030 . 1 . . . . 64 SER HA . 10289 1 747 . 1 1 64 64 SER HB2 H 1 3.870 0.030 . 1 . . . . 64 SER HB2 . 10289 1 748 . 1 1 64 64 SER HB3 H 1 3.870 0.030 . 1 . . . . 64 SER HB3 . 10289 1 749 . 1 1 64 64 SER C C 13 174.610 0.300 . 1 . . . . 64 SER C . 10289 1 750 . 1 1 64 64 SER CA C 13 58.794 0.300 . 1 . . . . 64 SER CA . 10289 1 751 . 1 1 64 64 SER CB C 13 63.727 0.300 . 1 . . . . 64 SER CB . 10289 1 752 . 1 1 65 65 ARG H H 1 8.263 0.030 . 1 . . . . 65 ARG H . 10289 1 753 . 1 1 65 65 ARG HA H 1 4.405 0.030 . 1 . . . . 65 ARG HA . 10289 1 754 . 1 1 65 65 ARG HB2 H 1 1.778 0.030 . 2 . . . . 65 ARG HB2 . 10289 1 755 . 1 1 65 65 ARG HB3 H 1 1.908 0.030 . 2 . . . . 65 ARG HB3 . 10289 1 756 . 1 1 65 65 ARG HD2 H 1 3.164 0.030 . 1 . . . . 65 ARG HD2 . 10289 1 757 . 1 1 65 65 ARG HD3 H 1 3.164 0.030 . 1 . . . . 65 ARG HD3 . 10289 1 758 . 1 1 65 65 ARG HG2 H 1 1.618 0.030 . 1 . . . . 65 ARG HG2 . 10289 1 759 . 1 1 65 65 ARG HG3 H 1 1.618 0.030 . 1 . . . . 65 ARG HG3 . 10289 1 760 . 1 1 65 65 ARG C C 13 176.310 0.300 . 1 . . . . 65 ARG C . 10289 1 761 . 1 1 65 65 ARG CA C 13 56.185 0.300 . 1 . . . . 65 ARG CA . 10289 1 762 . 1 1 65 65 ARG CB C 13 30.643 0.300 . 1 . . . . 65 ARG CB . 10289 1 763 . 1 1 65 65 ARG CD C 13 43.315 0.300 . 1 . . . . 65 ARG CD . 10289 1 764 . 1 1 65 65 ARG CG C 13 27.023 0.300 . 1 . . . . 65 ARG CG . 10289 1 765 . 1 1 65 65 ARG N N 15 122.520 0.300 . 1 . . . . 65 ARG N . 10289 1 766 . 1 1 66 66 SER H H 1 8.253 0.030 . 1 . . . . 66 SER H . 10289 1 767 . 1 1 66 66 SER HA H 1 4.507 0.030 . 1 . . . . 66 SER HA . 10289 1 768 . 1 1 66 66 SER HB2 H 1 3.875 0.030 . 1 . . . . 66 SER HB2 . 10289 1 769 . 1 1 66 66 SER HB3 H 1 3.875 0.030 . 1 . . . . 66 SER HB3 . 10289 1 770 . 1 1 66 66 SER C C 13 174.489 0.300 . 1 . . . . 66 SER C . 10289 1 771 . 1 1 66 66 SER CA C 13 58.320 0.300 . 1 . . . . 66 SER CA . 10289 1 772 . 1 1 66 66 SER CB C 13 63.974 0.300 . 1 . . . . 66 SER CB . 10289 1 773 . 1 1 66 66 SER N N 15 116.498 0.300 . 1 . . . . 66 SER N . 10289 1 774 . 1 1 67 67 GLY H H 1 8.201 0.030 . 1 . . . . 67 GLY H . 10289 1 775 . 1 1 67 67 GLY HA2 H 1 4.113 0.030 . 2 . . . . 67 GLY HA2 . 10289 1 776 . 1 1 67 67 GLY C C 13 171.769 0.300 . 1 . . . . 67 GLY C . 10289 1 777 . 1 1 67 67 GLY CA C 13 44.689 0.300 . 1 . . . . 67 GLY CA . 10289 1 778 . 1 1 67 67 GLY N N 15 110.648 0.300 . 1 . . . . 67 GLY N . 10289 1 779 . 1 1 68 68 PRO HD2 H 1 3.607 0.030 . 2 . . . . 68 PRO HD2 . 10289 1 780 . 1 1 68 68 PRO HG2 H 1 2.004 0.030 . 2 . . . . 68 PRO HG2 . 10289 1 781 . 1 1 69 69 SER HA H 1 4.481 0.030 . 1 . . . . 69 SER HA . 10289 1 782 . 1 1 69 69 SER HB2 H 1 3.871 0.030 . 1 . . . . 69 SER HB2 . 10289 1 783 . 1 1 69 69 SER HB3 H 1 3.871 0.030 . 1 . . . . 69 SER HB3 . 10289 1 784 . 1 1 69 69 SER C C 13 174.659 0.300 . 1 . . . . 69 SER C . 10289 1 785 . 1 1 69 69 SER CA C 13 58.371 0.300 . 1 . . . . 69 SER CA . 10289 1 786 . 1 1 69 69 SER CB C 13 63.645 0.300 . 1 . . . . 69 SER CB . 10289 1 787 . 1 1 70 70 SER H H 1 8.303 0.030 . 1 . . . . 70 SER H . 10289 1 788 . 1 1 70 70 SER HA H 1 4.473 0.030 . 1 . . . . 70 SER HA . 10289 1 789 . 1 1 70 70 SER HB2 H 1 3.873 0.030 . 1 . . . . 70 SER HB2 . 10289 1 790 . 1 1 70 70 SER HB3 H 1 3.873 0.030 . 1 . . . . 70 SER HB3 . 10289 1 791 . 1 1 70 70 SER C C 13 173.930 0.300 . 1 . . . . 70 SER C . 10289 1 792 . 1 1 70 70 SER CA C 13 58.406 0.300 . 1 . . . . 70 SER CA . 10289 1 793 . 1 1 70 70 SER CB C 13 64.057 0.300 . 1 . . . . 70 SER CB . 10289 1 794 . 1 1 70 70 SER N N 15 117.757 0.300 . 1 . . . . 70 SER N . 10289 1 795 . 1 1 71 71 GLY H H 1 8.039 0.030 . 1 . . . . 71 GLY H . 10289 1 796 . 1 1 71 71 GLY C C 13 178.981 0.300 . 1 . . . . 71 GLY C . 10289 1 797 . 1 1 71 71 GLY CA C 13 46.241 0.300 . 1 . . . . 71 GLY CA . 10289 1 798 . 1 1 71 71 GLY N N 15 116.838 0.300 . 1 . . . . 71 GLY N . 10289 1 stop_ save_