data_16000 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16000 _Entry.Title ; Solution structure of the nucleocapsid-binding domain of the measles virus phosphoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-23 _Entry.Accession_date 2008-10-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Solution structure of the nucleocapsid-binding domain of the measles virus phosphoprotein' _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 Stephane Gely . . . 16000 2 'Jean Marie' Bourhis . . . 16000 3 Sonia Longhi . . . 16000 4 Herve Darbon . . . 16000 5 Cedric Bernard . . . 16000 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 . 'not applicable' 'Marseilles Structural Genomics Program @ AFMB' . 16000 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID measle . 16000 NMR . 16000 phosphoprotein . 16000 Structure . 16000 'X Domain' . 16000 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16000 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 289 16000 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-09-08 2008-10-23 update BMRB 'complete entry citation' 16000 1 . . 2010-05-06 2008-10-23 original author 'original release' 16000 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16000 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20058326 _Citation.Full_citation . _Citation.Title 'Solution structure of the C-terminal X domain of the measles virus phosphoprotein and interaction with the intrinsically disordered C-terminal domain of the nucleoprotein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Recognit.' _Citation.Journal_name_full 'Journal of molecular recognition : JMR' _Citation.Journal_volume 23 _Citation.Journal_issue 5 _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 435 _Citation.Page_last 447 _Citation.Year 2010 _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 Stephane Gely . . . 16000 1 2 David Lowry . F. . 16000 1 3 Cedric Bernard . . . 16000 1 4 Malene Jensen . R. . 16000 1 5 Martin Blackledge . . . 16000 1 6 Stephanie Costanzo . . . 16000 1 7 Jean-Marie Bourhis . . . 16000 1 8 Herve Darbon . . . 16000 1 9 Gary Daughdrill . . . 16000 1 10 Sonia Longhi . . . 16000 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16000 _Assembly.ID 1 _Assembly.Name XD_domain _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 XD_domain 1 $XD_domain A . yes native no no . . . 16000 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XD_domain _Entity.Sf_category entity _Entity.Sf_framecode XD_domain _Entity.Entry_ID 16000 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XD_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SVIRSIIKSSRLEEDRKRYL MTLLDDIKGANDLAKFHQML VKII ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Phosphoprotein XD domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5169.205 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15993 . XD . . . . . 97.73 44 100.00 100.00 3.61e-20 . . . . 16000 1 2 no BMRB 15994 . XD . . . . . 97.73 44 100.00 100.00 3.61e-20 . . . . 16000 1 3 no PDB 1T6O . "Nucleocapsid-Binding Domain Of The Measles Virus P Protein (Amino Acids 457-507) In Complex With Amino Acids 486-505 Of The Mea" . . . . . 100.00 51 97.73 100.00 2.51e-20 . . . . 16000 1 4 no PDB 2K9D . "Solution Structure Of The Domain X Of Measle Phosphoprotein" . . . . . 100.00 44 100.00 100.00 8.76e-21 . . . . 16000 1 5 no DBJ BAA09955 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 4.09e-19 . . . . 16000 1 6 no DBJ BAA09962 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 4.09e-19 . . . . 16000 1 7 no DBJ BAA33868 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 5.86e-19 . . . . 16000 1 8 no DBJ BAA33874 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 6.23e-19 . . . . 16000 1 9 no DBJ BAA34978 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 4.62e-19 . . . . 16000 1 10 no EMBL CAA34578 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 4.30e-19 . . . . 16000 1 11 no EMBL CAA34585 . "unnamed protein product [Measles virus]" . . . . . 100.00 507 97.73 100.00 5.31e-19 . . . . 16000 1 12 no EMBL CAA91364 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 2.86e-19 . . . . 16000 1 13 no EMBL CAQ15998 . "phosphoprotein [Measles virus MVi/Ibadan.NIE/8.98/9]" . . . . . 100.00 507 97.73 100.00 4.76e-19 . . . . 16000 1 14 no EMBL CAQ15999 . "phosphoprotein [Measles virus MVi/Ibadan.NIE/9.98/5]" . . . . . 100.00 507 97.73 100.00 5.69e-19 . . . . 16000 1 15 no GB AAA46434 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 3.63e-19 . . . . 16000 1 16 no GB AAA46435 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 4.30e-19 . . . . 16000 1 17 no GB AAA46437 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 3.32e-19 . . . . 16000 1 18 no GB AAA63284 . "P protein [Measles virus]" . . . . . 100.00 507 97.73 100.00 4.09e-19 . . . . 16000 1 19 no GB AAA63285 . "P protein [Measles virus]" . . . . . 100.00 507 97.73 100.00 4.30e-19 . . . . 16000 1 20 no REF NP_056919 . "phosphoprotein [Measles virus]" . . . . . 100.00 507 97.73 100.00 4.62e-19 . . . . 16000 1 21 no SP P03422 . "RecName: Full=Phosphoprotein; Short=Protein P" . . . . . 100.00 507 97.73 100.00 3.32e-19 . . . . 16000 1 22 no SP P35974 . "RecName: Full=Phosphoprotein; Short=Protein P" . . . . . 100.00 507 97.73 100.00 2.83e-19 . . . . 16000 1 23 no SP Q9WMB4 . "RecName: Full=Phosphoprotein; Short=Protein P" . . . . . 100.00 507 97.73 100.00 4.62e-19 . . . . 16000 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 1 462 SER . 16000 1 2 463 VAL . 16000 1 3 464 ILE . 16000 1 4 465 ARG . 16000 1 5 466 SER . 16000 1 6 467 ILE . 16000 1 7 468 ILE . 16000 1 8 469 LYS . 16000 1 9 470 SER . 16000 1 10 471 SER . 16000 1 11 472 ARG . 16000 1 12 473 LEU . 16000 1 13 474 GLU . 16000 1 14 475 GLU . 16000 1 15 476 ASP . 16000 1 16 477 ARG . 16000 1 17 478 LYS . 16000 1 18 479 ARG . 16000 1 19 480 TYR . 16000 1 20 481 LEU . 16000 1 21 482 MET . 16000 1 22 483 THR . 16000 1 23 484 LEU . 16000 1 24 485 LEU . 16000 1 25 486 ASP . 16000 1 26 487 ASP . 16000 1 27 488 ILE . 16000 1 28 489 LYS . 16000 1 29 490 GLY . 16000 1 30 491 ALA . 16000 1 31 492 ASN . 16000 1 32 493 ASP . 16000 1 33 494 LEU . 16000 1 34 495 ALA . 16000 1 35 496 LYS . 16000 1 36 497 PHE . 16000 1 37 498 HIS . 16000 1 38 499 GLN . 16000 1 39 500 MET . 16000 1 40 501 LEU . 16000 1 41 502 VAL . 16000 1 42 503 LYS . 16000 1 43 504 ILE . 16000 1 44 505 ILE . 16000 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 . SER 1 1 16000 1 . VAL 2 2 16000 1 . ILE 3 3 16000 1 . ARG 4 4 16000 1 . SER 5 5 16000 1 . ILE 6 6 16000 1 . ILE 7 7 16000 1 . LYS 8 8 16000 1 . SER 9 9 16000 1 . SER 10 10 16000 1 . ARG 11 11 16000 1 . LEU 12 12 16000 1 . GLU 13 13 16000 1 . GLU 14 14 16000 1 . ASP 15 15 16000 1 . ARG 16 16 16000 1 . LYS 17 17 16000 1 . ARG 18 18 16000 1 . TYR 19 19 16000 1 . LEU 20 20 16000 1 . MET 21 21 16000 1 . THR 22 22 16000 1 . LEU 23 23 16000 1 . LEU 24 24 16000 1 . ASP 25 25 16000 1 . ASP 26 26 16000 1 . ILE 27 27 16000 1 . LYS 28 28 16000 1 . GLY 29 29 16000 1 . ALA 30 30 16000 1 . ASN 31 31 16000 1 . ASP 32 32 16000 1 . LEU 33 33 16000 1 . ALA 34 34 16000 1 . LYS 35 35 16000 1 . PHE 36 36 16000 1 . HIS 37 37 16000 1 . GLN 38 38 16000 1 . MET 39 39 16000 1 . LEU 40 40 16000 1 . VAL 41 41 16000 1 . LYS 42 42 16000 1 . ILE 43 43 16000 1 . ILE 44 44 16000 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 16000 _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 $XD_domain . 11234 virus . Morbillivirus Measles . . virus . Morbillivirus . . . . . . . . . . . . . . . . . . . . . . 16000 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 16000 _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 $XD_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET41A(+) . . . . . . 16000 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16000 _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 'XD domain' 'natural abundance' . . 1 $XD_domain . . 1.5 . . uM . . . . 16000 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16000 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16000 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16000 _Sample.ID 2 _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 'XD domain' 'natural abundance' . . 1 $XD_domain . . 1.06 . . uM . . . . 16000 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16000 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16000 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16000 _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 pH 7 . pH 16000 1 pressure 1 . atm 16000 1 temperature 300 . K 16000 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16000 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16000 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16000 1 refinement 16000 1 'structure solution' 16000 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16000 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16000 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 16000 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 16000 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16000 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16000 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16000 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.689 internal direct 1.000000000 . . . . . . . . . 16000 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16000 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 16000 1 2 '2D 1H-1H NOESY' . . . 16000 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 8.474 . . . . . . . 462 S HN . 16000 1 2 . 1 1 1 1 SER HA H 1 4.223 . . . . . . . 462 S HA . 16000 1 3 . 1 1 1 1 SER HB2 H 1 3.997 . . . . . . . 462 S HB1 . 16000 1 4 . 1 1 1 1 SER HB3 H 1 3.997 . . . . . . . 462 S HB2 . 16000 1 5 . 1 1 2 2 VAL H H 1 7.605 . . . . . . . 463 V HN . 16000 1 6 . 1 1 2 2 VAL HA H 1 3.822 . . . . . . . 463 V HA . 16000 1 7 . 1 1 2 2 VAL HB H 1 2.254 . . . . . . . 463 V HB . 16000 1 8 . 1 1 2 2 VAL HG11 H 1 1.146 . . . . . . . 463 V HG11 . 16000 1 9 . 1 1 2 2 VAL HG12 H 1 1.146 . . . . . . . 463 V HG11 . 16000 1 10 . 1 1 2 2 VAL HG13 H 1 1.146 . . . . . . . 463 V HG11 . 16000 1 11 . 1 1 2 2 VAL HG21 H 1 1.009 . . . . . . . 463 V HG21 . 16000 1 12 . 1 1 2 2 VAL HG22 H 1 1.009 . . . . . . . 463 V HG21 . 16000 1 13 . 1 1 2 2 VAL HG23 H 1 1.009 . . . . . . . 463 V HG21 . 16000 1 14 . 1 1 3 3 ILE H H 1 8.231 . . . . . . . 464 I HN . 16000 1 15 . 1 1 3 3 ILE HA H 1 3.554 . . . . . . . 464 I HA . 16000 1 16 . 1 1 3 3 ILE HB H 1 1.969 . . . . . . . 464 I HB . 16000 1 17 . 1 1 3 3 ILE HD11 H 1 0.712 . . . . . . . 464 I HD11 . 16000 1 18 . 1 1 3 3 ILE HD12 H 1 0.712 . . . . . . . 464 I HD11 . 16000 1 19 . 1 1 3 3 ILE HD13 H 1 0.712 . . . . . . . 464 I HD11 . 16000 1 20 . 1 1 3 3 ILE HG12 H 1 1.164 . . . . . . . 464 I HG11 . 16000 1 21 . 1 1 3 3 ILE HG13 H 1 1.164 . . . . . . . 464 I HG12 . 16000 1 22 . 1 1 4 4 ARG H H 1 8.643 . . . . . . . 465 R HN . 16000 1 23 . 1 1 4 4 ARG HA H 1 3.812 . . . . . . . 465 R HA . 16000 1 24 . 1 1 4 4 ARG HB2 H 1 1.986 . . . . . . . 465 R HB1 . 16000 1 25 . 1 1 4 4 ARG HB3 H 1 1.986 . . . . . . . 465 R HB2 . 16000 1 26 . 1 1 4 4 ARG HG2 H 1 1.695 . . . . . . . 465 R HG1 . 16000 1 27 . 1 1 4 4 ARG HG3 H 1 1.695 . . . . . . . 465 R HG2 . 16000 1 28 . 1 1 5 5 SER H H 1 7.859 . . . . . . . 466 S HN . 16000 1 29 . 1 1 5 5 SER HA H 1 4.334 . . . . . . . 466 S HA . 16000 1 30 . 1 1 5 5 SER HB2 H 1 4.167 . . . . . . . 466 S HB1 . 16000 1 31 . 1 1 5 5 SER HB3 H 1 4.167 . . . . . . . 466 S HB2 . 16000 1 32 . 1 1 6 6 ILE H H 1 8.270 . . . . . . . 467 I HN . 16000 1 33 . 1 1 6 6 ILE HA H 1 3.818 . . . . . . . 467 I HA . 16000 1 34 . 1 1 6 6 ILE HB H 1 2.257 . . . . . . . 467 I HB . 16000 1 35 . 1 1 6 6 ILE HD11 H 1 0.932 . . . . . . . 467 I HD11 . 16000 1 36 . 1 1 6 6 ILE HD12 H 1 0.932 . . . . . . . 467 I HD11 . 16000 1 37 . 1 1 6 6 ILE HD13 H 1 0.932 . . . . . . . 467 I HD11 . 16000 1 38 . 1 1 6 6 ILE HG12 H 1 2.192 . . . . . . . 467 I HG11 . 16000 1 39 . 1 1 6 6 ILE HG13 H 1 2.192 . . . . . . . 467 I HG12 . 16000 1 40 . 1 1 6 6 ILE HG21 H 1 1.164 . . . . . . . 467 I HG21 . 16000 1 41 . 1 1 6 6 ILE HG22 H 1 1.164 . . . . . . . 467 I HG21 . 16000 1 42 . 1 1 6 6 ILE HG23 H 1 1.164 . . . . . . . 467 I HG21 . 16000 1 43 . 1 1 7 7 ILE H H 1 8.052 . . . . . . . 468 I HN . 16000 1 44 . 1 1 7 7 ILE HA H 1 3.486 . . . . . . . 468 I HA . 16000 1 45 . 1 1 7 7 ILE HB H 1 2.224 . . . . . . . 468 I HB . 16000 1 46 . 1 1 7 7 ILE HD11 H 1 1.056 . . . . . . . 468 I HD11 . 16000 1 47 . 1 1 7 7 ILE HD12 H 1 1.056 . . . . . . . 468 I HD11 . 16000 1 48 . 1 1 7 7 ILE HD13 H 1 1.056 . . . . . . . 468 I HD11 . 16000 1 49 . 1 1 7 7 ILE HG12 H 1 2.160 . . . . . . . 468 I HG11 . 16000 1 50 . 1 1 7 7 ILE HG13 H 1 2.160 . . . . . . . 468 I HG12 . 16000 1 51 . 1 1 7 7 ILE HG21 H 1 0.993 . . . . . . . 468 I HG21 . 16000 1 52 . 1 1 7 7 ILE HG22 H 1 0.993 . . . . . . . 468 I HG21 . 16000 1 53 . 1 1 7 7 ILE HG23 H 1 0.993 . . . . . . . 468 I HG21 . 16000 1 54 . 1 1 8 8 LYS H H 1 8.602 . . . . . . . 469 K HN . 16000 1 55 . 1 1 8 8 LYS HA H 1 4.034 . . . . . . . 469 K HA . 16000 1 56 . 1 1 8 8 LYS HB2 H 1 2.025 . . . . . . . 469 K HB1 . 16000 1 57 . 1 1 8 8 LYS HB3 H 1 2.025 . . . . . . . 469 K HB2 . 16000 1 58 . 1 1 8 8 LYS HD2 H 1 1.755 . . . . . . . 469 K HD1 . 16000 1 59 . 1 1 8 8 LYS HD3 H 1 1.755 . . . . . . . 469 K HD2 . 16000 1 60 . 1 1 8 8 LYS HG2 H 1 1.488 . . . . . . . 469 K HG1 . 16000 1 61 . 1 1 8 8 LYS HG3 H 1 1.488 . . . . . . . 469 K HG2 . 16000 1 62 . 1 1 9 9 SER H H 1 8.201 . . . . . . . 470 S HN . 16000 1 63 . 1 1 9 9 SER HA H 1 4.619 . . . . . . . 470 S HA . 16000 1 64 . 1 1 9 9 SER HB2 H 1 4.001 . . . . . . . 470 S HB1 . 16000 1 65 . 1 1 9 9 SER HB3 H 1 4.001 . . . . . . . 470 S HB2 . 16000 1 66 . 1 1 10 10 SER H H 1 7.540 . . . . . . . 471 S HN . 16000 1 67 . 1 1 10 10 SER HA H 1 4.536 . . . . . . . 471 S HA . 16000 1 68 . 1 1 10 10 SER HB2 H 1 4.195 . . . . . . . 471 S HB1 . 16000 1 69 . 1 1 10 10 SER HB3 H 1 4.195 . . . . . . . 471 S HB2 . 16000 1 70 . 1 1 11 11 ARG H H 1 9.245 . . . . . . . 472 R HN . 16000 1 71 . 1 1 11 11 ARG HA H 1 4.646 . . . . . . . 472 R HA . 16000 1 72 . 1 1 11 11 ARG HB2 H 1 2.077 . . . . . . . 472 R HB1 . 16000 1 73 . 1 1 11 11 ARG HB3 H 1 2.275 . . . . . . . 472 R HB2 . 16000 1 74 . 1 1 11 11 ARG HG2 H 1 1.774 . . . . . . . 472 R HG1 . 16000 1 75 . 1 1 11 11 ARG HG3 H 1 1.774 . . . . . . . 472 R HG2 . 16000 1 76 . 1 1 12 12 LEU H H 1 6.980 . . . . . . . 473 L HN . 16000 1 77 . 1 1 12 12 LEU HA H 1 3.959 . . . . . . . 473 L HA . 16000 1 78 . 1 1 12 12 LEU HB2 H 1 1.557 . . . . . . . 473 L HB1 . 16000 1 79 . 1 1 12 12 LEU HB3 H 1 1.690 . . . . . . . 473 L HB2 . 16000 1 80 . 1 1 12 12 LEU HD11 H 1 0.778 . . . . . . . 473 L HD11 . 16000 1 81 . 1 1 12 12 LEU HD12 H 1 0.778 . . . . . . . 473 L HD11 . 16000 1 82 . 1 1 12 12 LEU HD13 H 1 0.778 . . . . . . . 473 L HD11 . 16000 1 83 . 1 1 12 12 LEU HD21 H 1 0.709 . . . . . . . 473 L HD21 . 16000 1 84 . 1 1 12 12 LEU HD22 H 1 0.709 . . . . . . . 473 L HD21 . 16000 1 85 . 1 1 12 12 LEU HD23 H 1 0.709 . . . . . . . 473 L HD21 . 16000 1 86 . 1 1 12 12 LEU HG H 1 1.389 . . . . . . . 473 L HG . 16000 1 87 . 1 1 13 13 GLU H H 1 9.121 . . . . . . . 474 E HN . 16000 1 88 . 1 1 13 13 GLU HA H 1 3.733 . . . . . . . 474 E HA . 16000 1 89 . 1 1 13 13 GLU HB2 H 1 2.106 . . . . . . . 474 E HB1 . 16000 1 90 . 1 1 13 13 GLU HB3 H 1 2.106 . . . . . . . 474 E HB2 . 16000 1 91 . 1 1 13 13 GLU HG2 H 1 2.418 . . . . . . . 474 E HG1 . 16000 1 92 . 1 1 13 13 GLU HG3 H 1 2.652 . . . . . . . 474 E HG2 . 16000 1 93 . 1 1 14 14 GLU H H 1 9.127 . . . . . . . 475 E HN . 16000 1 94 . 1 1 14 14 GLU HA H 1 4.296 . . . . . . . 475 E HA . 16000 1 95 . 1 1 14 14 GLU HB2 H 1 2.210 . . . . . . . 475 E HB1 . 16000 1 96 . 1 1 14 14 GLU HB3 H 1 2.210 . . . . . . . 475 E HB2 . 16000 1 97 . 1 1 14 14 GLU HG2 H 1 2.520 . . . . . . . 475 E HG1 . 16000 1 98 . 1 1 14 14 GLU HG3 H 1 2.520 . . . . . . . 475 E HG2 . 16000 1 99 . 1 1 15 15 ASP H H 1 9.115 . . . . . . . 476 D HN . 16000 1 100 . 1 1 15 15 ASP HA H 1 4.448 . . . . . . . 476 D HA . 16000 1 101 . 1 1 15 15 ASP HB2 H 1 2.766 . . . . . . . 476 D HB1 . 16000 1 102 . 1 1 15 15 ASP HB3 H 1 2.766 . . . . . . . 476 D HB2 . 16000 1 103 . 1 1 16 16 ARG H H 1 7.386 . . . . . . . 477 R HN . 16000 1 104 . 1 1 16 16 ARG HA H 1 4.372 . . . . . . . 477 R HA . 16000 1 105 . 1 1 16 16 ARG HB2 H 1 1.825 . . . . . . . 477 R HB1 . 16000 1 106 . 1 1 16 16 ARG HB3 H 1 1.915 . . . . . . . 477 R HB2 . 16000 1 107 . 1 1 16 16 ARG HG2 H 1 1.496 . . . . . . . 477 R HG1 . 16000 1 108 . 1 1 16 16 ARG HG3 H 1 1.496 . . . . . . . 477 R HG2 . 16000 1 109 . 1 1 17 17 LYS H H 1 8.365 . . . . . . . 478 K HN . 16000 1 110 . 1 1 17 17 LYS HA H 1 3.766 . . . . . . . 478 K HA . 16000 1 111 . 1 1 17 17 LYS HB2 H 1 2.133 . . . . . . . 478 K HB1 . 16000 1 112 . 1 1 17 17 LYS HB3 H 1 2.133 . . . . . . . 478 K HB2 . 16000 1 113 . 1 1 17 17 LYS HD2 H 1 1.646 . . . . . . . 478 K HD1 . 16000 1 114 . 1 1 17 17 LYS HD3 H 1 1.646 . . . . . . . 478 K HD2 . 16000 1 115 . 1 1 17 17 LYS HG2 H 1 1.554 . . . . . . . 478 K HG1 . 16000 1 116 . 1 1 17 17 LYS HG3 H 1 1.554 . . . . . . . 478 K HG2 . 16000 1 117 . 1 1 18 18 ARG H H 1 8.139 . . . . . . . 479 R HN . 16000 1 118 . 1 1 18 18 ARG HA H 1 4.073 . . . . . . . 479 R HA . 16000 1 119 . 1 1 18 18 ARG HB2 H 1 1.934 . . . . . . . 479 R HB1 . 16000 1 120 . 1 1 18 18 ARG HB3 H 1 2.055 . . . . . . . 479 R HB2 . 16000 1 121 . 1 1 18 18 ARG HG2 H 1 1.718 . . . . . . . 479 R HG1 . 16000 1 122 . 1 1 18 18 ARG HG3 H 1 1.718 . . . . . . . 479 R HG2 . 16000 1 123 . 1 1 19 19 TYR H H 1 7.929 . . . . . . . 480 Y HN . 16000 1 124 . 1 1 19 19 TYR HA H 1 4.442 . . . . . . . 480 Y HA . 16000 1 125 . 1 1 19 19 TYR HB2 H 1 3.243 . . . . . . . 480 Y HB1 . 16000 1 126 . 1 1 19 19 TYR HB3 H 1 3.446 . . . . . . . 480 Y HB2 . 16000 1 127 . 1 1 19 19 TYR HD1 H 1 7.159 . . . . . . . 480 Y HD1 . 16000 1 128 . 1 1 19 19 TYR HD2 H 1 7.159 . . . . . . . 480 Y HD2 . 16000 1 129 . 1 1 19 19 TYR HE1 H 1 6.983 . . . . . . . 480 Y HE1 . 16000 1 130 . 1 1 19 19 TYR HE2 H 1 6.983 . . . . . . . 480 Y HE2 . 16000 1 131 . 1 1 20 20 LEU H H 1 8.595 . . . . . . . 481 L HN . 16000 1 132 . 1 1 20 20 LEU HA H 1 4.066 . . . . . . . 481 L HA . 16000 1 133 . 1 1 20 20 LEU HB2 H 1 2.200 . . . . . . . 481 L HB1 . 16000 1 134 . 1 1 20 20 LEU HB3 H 1 2.200 . . . . . . . 481 L HB2 . 16000 1 135 . 1 1 20 20 LEU HD11 H 1 0.925 . . . . . . . 481 L HD11 . 16000 1 136 . 1 1 20 20 LEU HD12 H 1 0.925 . . . . . . . 481 L HD11 . 16000 1 137 . 1 1 20 20 LEU HD13 H 1 0.925 . . . . . . . 481 L HD11 . 16000 1 138 . 1 1 20 20 LEU HD21 H 1 0.880 . . . . . . . 481 L HD21 . 16000 1 139 . 1 1 20 20 LEU HD22 H 1 0.880 . . . . . . . 481 L HD21 . 16000 1 140 . 1 1 20 20 LEU HD23 H 1 0.880 . . . . . . . 481 L HD21 . 16000 1 141 . 1 1 21 21 MET H H 1 8.609 . . . . . . . 482 M HN . 16000 1 142 . 1 1 21 21 MET HA H 1 4.108 . . . . . . . 482 M HA . 16000 1 143 . 1 1 21 21 MET HB2 H 1 1.599 . . . . . . . 482 M HB1 . 16000 1 144 . 1 1 21 21 MET HB3 H 1 2.425 . . . . . . . 482 M HB2 . 16000 1 145 . 1 1 21 21 MET HG2 H 1 2.695 . . . . . . . 482 M HG1 . 16000 1 146 . 1 1 21 21 MET HG3 H 1 2.907 . . . . . . . 482 M HG2 . 16000 1 147 . 1 1 22 22 THR H H 1 7.976 . . . . . . . 483 T HN . 16000 1 148 . 1 1 22 22 THR HA H 1 4.402 . . . . . . . 483 T HA . 16000 1 149 . 1 1 22 22 THR HB H 1 4.092 . . . . . . . 483 T HB . 16000 1 150 . 1 1 22 22 THR HG21 H 1 1.361 . . . . . . . 483 T HG21 . 16000 1 151 . 1 1 22 22 THR HG22 H 1 1.361 . . . . . . . 483 T HG21 . 16000 1 152 . 1 1 22 22 THR HG23 H 1 1.361 . . . . . . . 483 T HG21 . 16000 1 153 . 1 1 23 23 LEU H H 1 7.731 . . . . . . . 484 L HN . 16000 1 154 . 1 1 23 23 LEU HA H 1 4.041 . . . . . . . 484 L HA . 16000 1 155 . 1 1 23 23 LEU HB2 H 1 1.904 . . . . . . . 484 L HB1 . 16000 1 156 . 1 1 23 23 LEU HB3 H 1 1.904 . . . . . . . 484 L HB2 . 16000 1 157 . 1 1 23 23 LEU HD11 H 1 0.876 . . . . . . . 484 L HD11 . 16000 1 158 . 1 1 23 23 LEU HD12 H 1 0.876 . . . . . . . 484 L HD11 . 16000 1 159 . 1 1 23 23 LEU HD13 H 1 0.876 . . . . . . . 484 L HD11 . 16000 1 160 . 1 1 23 23 LEU HG H 1 1.486 . . . . . . . 484 L HG . 16000 1 161 . 1 1 24 24 LEU H H 1 7.937 . . . . . . . 485 L HN . 16000 1 162 . 1 1 24 24 LEU HA H 1 3.353 . . . . . . . 485 L HA . 16000 1 163 . 1 1 24 24 LEU HB2 H 1 2.041 . . . . . . . 485 L HB1 . 16000 1 164 . 1 1 24 24 LEU HB3 H 1 2.041 . . . . . . . 485 L HB2 . 16000 1 165 . 1 1 24 24 LEU HD11 H 1 1.032 . . . . . . . 485 L HD11 . 16000 1 166 . 1 1 24 24 LEU HD12 H 1 1.032 . . . . . . . 485 L HD11 . 16000 1 167 . 1 1 24 24 LEU HD13 H 1 1.032 . . . . . . . 485 L HD11 . 16000 1 168 . 1 1 24 24 LEU HD21 H 1 0.706 . . . . . . . 485 L HD21 . 16000 1 169 . 1 1 24 24 LEU HD22 H 1 0.706 . . . . . . . 485 L HD21 . 16000 1 170 . 1 1 24 24 LEU HD23 H 1 0.706 . . . . . . . 485 L HD21 . 16000 1 171 . 1 1 24 24 LEU HG H 1 1.263 . . . . . . . 485 L HG . 16000 1 172 . 1 1 25 25 ASP H H 1 7.647 . . . . . . . 486 D HN . 16000 1 173 . 1 1 25 25 ASP HA H 1 4.423 . . . . . . . 486 D HA . 16000 1 174 . 1 1 25 25 ASP HB2 H 1 2.796 . . . . . . . 486 D HB1 . 16000 1 175 . 1 1 25 25 ASP HB3 H 1 2.796 . . . . . . . 486 D HB2 . 16000 1 176 . 1 1 26 26 ASP H H 1 7.404 . . . . . . . 487 D HN . 16000 1 177 . 1 1 26 26 ASP HA H 1 4.424 . . . . . . . 487 D HA . 16000 1 178 . 1 1 26 26 ASP HB2 H 1 2.850 . . . . . . . 487 D HB1 . 16000 1 179 . 1 1 26 26 ASP HB3 H 1 2.664 . . . . . . . 487 D HB2 . 16000 1 180 . 1 1 27 27 ILE H H 1 7.493 . . . . . . . 488 I HN . 16000 1 181 . 1 1 27 27 ILE HA H 1 4.105 . . . . . . . 488 I HA . 16000 1 182 . 1 1 27 27 ILE HB H 1 1.965 . . . . . . . 488 I HB . 16000 1 183 . 1 1 27 27 ILE HD11 H 1 0.618 . . . . . . . 488 I HD11 . 16000 1 184 . 1 1 27 27 ILE HD12 H 1 0.618 . . . . . . . 488 I HD11 . 16000 1 185 . 1 1 27 27 ILE HD13 H 1 0.618 . . . . . . . 488 I HD11 . 16000 1 186 . 1 1 27 27 ILE HG12 H 1 1.272 . . . . . . . 488 I HG11 . 16000 1 187 . 1 1 27 27 ILE HG13 H 1 1.550 . . . . . . . 488 I HG12 . 16000 1 188 . 1 1 27 27 ILE HG21 H 1 0.862 . . . . . . . 488 I HG21 . 16000 1 189 . 1 1 27 27 ILE HG22 H 1 0.862 . . . . . . . 488 I HG21 . 16000 1 190 . 1 1 27 27 ILE HG23 H 1 0.862 . . . . . . . 488 I HG21 . 16000 1 191 . 1 1 28 28 LYS H H 1 9.161 . . . . . . . 489 K HN . 16000 1 192 . 1 1 28 28 LYS HA H 1 4.583 . . . . . . . 489 K HA . 16000 1 193 . 1 1 28 28 LYS HB2 H 1 1.868 . . . . . . . 489 K HB1 . 16000 1 194 . 1 1 28 28 LYS HB3 H 1 1.955 . . . . . . . 489 K HB2 . 16000 1 195 . 1 1 29 29 GLY H H 1 8.412 . . . . . . . 490 G HN . 16000 1 196 . 1 1 29 29 GLY HA2 H 1 4.380 . . . . . . . 490 G HA1 . 16000 1 197 . 1 1 31 31 ASN H H 1 8.269 . . . . . . . 492 N HN . 16000 1 198 . 1 1 31 31 ASN HA H 1 4.388 . . . . . . . 492 N HA . 16000 1 199 . 1 1 31 31 ASN HB2 H 1 2.822 . . . . . . . 492 N HB1 . 16000 1 200 . 1 1 31 31 ASN HB3 H 1 2.708 . . . . . . . 492 N HB2 . 16000 1 201 . 1 1 32 32 ASP H H 1 8.457 . . . . . . . 493 D HN . 16000 1 202 . 1 1 32 32 ASP HA H 1 4.530 . . . . . . . 493 D HA . 16000 1 203 . 1 1 32 32 ASP HB2 H 1 2.803 . . . . . . . 493 D HB1 . 16000 1 204 . 1 1 32 32 ASP HB3 H 1 2.803 . . . . . . . 493 D HB2 . 16000 1 205 . 1 1 33 33 LEU H H 1 8.311 . . . . . . . 494 L HN . 16000 1 206 . 1 1 33 33 LEU HA H 1 3.975 . . . . . . . 494 L HA . 16000 1 207 . 1 1 33 33 LEU HB2 H 1 1.762 . . . . . . . 494 L HB1 . 16000 1 208 . 1 1 33 33 LEU HB3 H 1 1.762 . . . . . . . 494 L HB2 . 16000 1 209 . 1 1 33 33 LEU HD11 H 1 0.866 . . . . . . . 494 L HD11 . 16000 1 210 . 1 1 33 33 LEU HD12 H 1 0.866 . . . . . . . 494 L HD11 . 16000 1 211 . 1 1 33 33 LEU HD13 H 1 0.866 . . . . . . . 494 L HD11 . 16000 1 212 . 1 1 33 33 LEU HD21 H 1 0.927 . . . . . . . 494 L HD21 . 16000 1 213 . 1 1 33 33 LEU HD22 H 1 0.927 . . . . . . . 494 L HD21 . 16000 1 214 . 1 1 33 33 LEU HD23 H 1 0.927 . . . . . . . 494 L HD21 . 16000 1 215 . 1 1 33 33 LEU HG H 1 1.855 . . . . . . . 494 L HG . 16000 1 216 . 1 1 34 34 ALA H H 1 8.071 . . . . . . . 495 A HN . 16000 1 217 . 1 1 34 34 ALA HA H 1 4.401 . . . . . . . 495 A HA . 16000 1 218 . 1 1 34 34 ALA HB1 H 1 1.731 . . . . . . . 495 A HB1 . 16000 1 219 . 1 1 34 34 ALA HB2 H 1 1.731 . . . . . . . 495 A HB1 . 16000 1 220 . 1 1 34 34 ALA HB3 H 1 1.731 . . . . . . . 495 A HB1 . 16000 1 221 . 1 1 35 35 LYS H H 1 7.979 . . . . . . . 496 K HN . 16000 1 222 . 1 1 35 35 LYS HA H 1 4.214 . . . . . . . 496 K HA . 16000 1 223 . 1 1 35 35 LYS HB2 H 1 2.111 . . . . . . . 496 K HB1 . 16000 1 224 . 1 1 35 35 LYS HB3 H 1 2.111 . . . . . . . 496 K HB2 . 16000 1 225 . 1 1 35 35 LYS HD2 H 1 1.836 . . . . . . . 496 K HD1 . 16000 1 226 . 1 1 35 35 LYS HD3 H 1 1.856 . . . . . . . 496 K HD2 . 16000 1 227 . 1 1 35 35 LYS HG2 H 1 1.701 . . . . . . . 496 K HG1 . 16000 1 228 . 1 1 35 35 LYS HG3 H 1 1.701 . . . . . . . 496 K HG2 . 16000 1 229 . 1 1 36 36 PHE H H 1 8.413 . . . . . . . 497 F HN . 16000 1 230 . 1 1 36 36 PHE HA H 1 4.127 . . . . . . . 497 F HA . 16000 1 231 . 1 1 36 36 PHE HB2 H 1 3.391 . . . . . . . 497 F HB1 . 16000 1 232 . 1 1 36 36 PHE HB3 H 1 3.391 . . . . . . . 497 F HB2 . 16000 1 233 . 1 1 36 36 PHE HD1 H 1 6.899 . . . . . . . 497 F HD1 . 16000 1 234 . 1 1 36 36 PHE HD2 H 1 6.899 . . . . . . . 497 F HD2 . 16000 1 235 . 1 1 36 36 PHE HE1 H 1 4.378 . . . . . . . 497 F HE1 . 16000 1 236 . 1 1 36 36 PHE HE2 H 1 4.378 . . . . . . . 497 F HE2 . 16000 1 237 . 1 1 37 37 HIS H H 1 8.920 . . . . . . . 498 H HN . 16000 1 238 . 1 1 37 37 HIS HA H 1 4.216 . . . . . . . 498 H HA . 16000 1 239 . 1 1 37 37 HIS HB2 H 1 3.182 . . . . . . . 498 H HB1 . 16000 1 240 . 1 1 37 37 HIS HB3 H 1 3.635 . . . . . . . 498 H HB2 . 16000 1 241 . 1 1 38 38 GLN H H 1 8.031 . . . . . . . 499 Q HN . 16000 1 242 . 1 1 38 38 GLN HA H 1 3.938 . . . . . . . 499 Q HA . 16000 1 243 . 1 1 38 38 GLN HB2 H 1 2.309 . . . . . . . 499 Q HB1 . 16000 1 244 . 1 1 38 38 GLN HB3 H 1 2.309 . . . . . . . 499 Q HB2 . 16000 1 245 . 1 1 38 38 GLN HG2 H 1 2.526 . . . . . . . 499 Q HG1 . 16000 1 246 . 1 1 38 38 GLN HG3 H 1 2.660 . . . . . . . 499 Q HG2 . 16000 1 247 . 1 1 39 39 MET H H 1 7.881 . . . . . . . 500 M HN . 16000 1 248 . 1 1 39 39 MET HA H 1 4.115 . . . . . . . 500 M HA . 16000 1 249 . 1 1 39 39 MET HB2 H 1 2.221 . . . . . . . 500 M HB1 . 16000 1 250 . 1 1 39 39 MET HB3 H 1 2.221 . . . . . . . 500 M HB2 . 16000 1 251 . 1 1 39 39 MET HG2 H 1 2.317 . . . . . . . 500 M HG1 . 16000 1 252 . 1 1 39 39 MET HG3 H 1 2.317 . . . . . . . 500 M HG2 . 16000 1 253 . 1 1 40 40 LEU H H 1 8.585 . . . . . . . 501 L HN . 16000 1 254 . 1 1 40 40 LEU HA H 1 3.891 . . . . . . . 501 L HA . 16000 1 255 . 1 1 40 40 LEU HB2 H 1 1.180 . . . . . . . 501 L HB1 . 16000 1 256 . 1 1 40 40 LEU HB3 H 1 1.180 . . . . . . . 501 L HB2 . 16000 1 257 . 1 1 41 41 VAL H H 1 8.233 . . . . . . . 502 V HN . 16000 1 258 . 1 1 41 41 VAL HA H 1 3.631 . . . . . . . 502 V HA . 16000 1 259 . 1 1 41 41 VAL HB H 1 2.131 . . . . . . . 502 V HB . 16000 1 260 . 1 1 42 42 LYS H H 1 7.369 . . . . . . . 503 K HN . 16000 1 261 . 1 1 42 42 LYS HA H 1 4.145 . . . . . . . 503 K HA . 16000 1 262 . 1 1 42 42 LYS HB2 H 1 2.050 . . . . . . . 503 K HB1 . 16000 1 263 . 1 1 42 42 LYS HB3 H 1 2.050 . . . . . . . 503 K HB2 . 16000 1 264 . 1 1 42 42 LYS HD2 H 1 0.958 . . . . . . . 503 K HD1 . 16000 1 265 . 1 1 42 42 LYS HD3 H 1 0.958 . . . . . . . 503 K HD2 . 16000 1 266 . 1 1 42 42 LYS HG2 H 1 1.456 . . . . . . . 503 K HG1 . 16000 1 267 . 1 1 42 42 LYS HG3 H 1 1.456 . . . . . . . 503 K HG2 . 16000 1 268 . 1 1 43 43 ILE H H 1 8.096 . . . . . . . 504 I HN . 16000 1 269 . 1 1 43 43 ILE HA H 1 3.903 . . . . . . . 504 I HA . 16000 1 270 . 1 1 43 43 ILE HB H 1 2.164 . . . . . . . 504 I HB . 16000 1 271 . 1 1 43 43 ILE HD11 H 1 0.943 . . . . . . . 504 I HD11 . 16000 1 272 . 1 1 43 43 ILE HD12 H 1 0.943 . . . . . . . 504 I HD11 . 16000 1 273 . 1 1 43 43 ILE HD13 H 1 0.943 . . . . . . . 504 I HD11 . 16000 1 274 . 1 1 43 43 ILE HG12 H 1 1.872 . . . . . . . 504 I HG11 . 16000 1 275 . 1 1 43 43 ILE HG13 H 1 1.304 . . . . . . . 504 I HG12 . 16000 1 276 . 1 1 43 43 ILE HG21 H 1 1.033 . . . . . . . 504 I HG21 . 16000 1 277 . 1 1 43 43 ILE HG22 H 1 1.033 . . . . . . . 504 I HG21 . 16000 1 278 . 1 1 43 43 ILE HG23 H 1 1.033 . . . . . . . 504 I HG21 . 16000 1 279 . 1 1 44 44 ILE H H 1 8.454 . . . . . . . 505 I HN . 16000 1 280 . 1 1 44 44 ILE HA H 1 3.822 . . . . . . . 505 I HA . 16000 1 281 . 1 1 44 44 ILE HB H 1 2.045 . . . . . . . 505 I HB . 16000 1 282 . 1 1 44 44 ILE HD11 H 1 0.863 . . . . . . . 505 I HD11 . 16000 1 283 . 1 1 44 44 ILE HD12 H 1 0.863 . . . . . . . 505 I HD11 . 16000 1 284 . 1 1 44 44 ILE HD13 H 1 0.863 . . . . . . . 505 I HD11 . 16000 1 285 . 1 1 44 44 ILE HG12 H 1 1.485 . . . . . . . 505 I HG11 . 16000 1 286 . 1 1 44 44 ILE HG13 H 1 1.489 . . . . . . . 505 I HG12 . 16000 1 287 . 1 1 44 44 ILE HG21 H 1 1.014 . . . . . . . 505 I HG21 . 16000 1 288 . 1 1 44 44 ILE HG22 H 1 1.014 . . . . . . . 505 I HG21 . 16000 1 289 . 1 1 44 44 ILE HG23 H 1 1.014 . . . . . . . 505 I HG21 . 16000 1 stop_ save_