data_15441 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15441 _Entry.Title ; Backbone chemical shift assignments of dynein intermediate chain IC74 residues 84-143 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-23 _Entry.Accession_date 2007-08-23 _Entry.Last_release_date 2008-07-03 _Entry.Original_release_date 2008-07-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gregory Benison . C. . 15441 2 Elisar Barbar . J. . 15441 3 Donald Berkholz . S. . 15441 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15441 heteronucl_NOEs 1 15441 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 111 15441 '15N chemical shifts' 55 15441 '1H chemical shifts' 55 15441 'heteronuclear NOE values' 55 15441 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-07-03 2007-08-23 original author . 15441 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15441 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17919953 _Citation.Full_citation . _Citation.Title 'Protein Assignments without Peak Lists Using Higher-Order Spectra' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 189 _Citation.Journal_issue 2 _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 173 _Citation.Page_last 181 _Citation.Year 2007 _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 Gregory Benison . C. . 15441 1 2 Donald Berkholz . S. . 15441 1 3 Elisar Barbar . J. . 15441 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID burrow-owl 15441 1 dynein 15441 1 'higher-order spectrum' 15441 1 'intermediate chain' 15441 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15441 _Assembly.ID 1 _Assembly.Name IC74 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 IC74 1 $IC74 A . yes native no no . . . 15441 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IC74 _Entity.Sf_category entity _Entity.Sf_framecode IC74 _Entity.Entry_ID 15441 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IC74 _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 ; SHHHHHHSMANSAGSSNTQT PDASLQATVNGQSGGKKQPL NLSVYNVQATNIPPKETLVY TKQTQTTSTGGGNGD ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAC70933 . "cytoplasmic dynein intermediate chain isoform DIC1a [Drosophila melanogaster]" . . . . . 80.00 634 100.00 100.00 1.74e-30 . . . . 15441 1 2 no GB AAC70934 . "cytoplasmic dynein intermediate chain isoform DIC1b [Drosophila melanogaster]" . . . . . 80.00 627 100.00 100.00 1.77e-30 . . . . 15441 1 3 no GB AAC70935 . "cytoplasmic dynein intermediate chain isoform DIC1c [Drosophila melanogaster]" . . . . . 80.00 626 100.00 100.00 1.63e-30 . . . . 15441 1 4 no GB AAC70938 . "cytoplasmic dynein intermediate chain isoform DIC2c [Drosophila melanogaster]" . . . . . 80.00 650 100.00 100.00 1.77e-30 . . . . 15441 1 5 no GB AAC70939 . "cytoplasmic dynein intermediate chain isoform DIC3a [Drosophila melanogaster]" . . . . . 80.00 636 100.00 100.00 1.83e-30 . . . . 15441 1 6 no REF NP_001285486 . "short wing, isoform N [Drosophila melanogaster]" . . . . . 80.00 634 100.00 100.00 1.77e-30 . . . . 15441 1 7 no REF NP_001285487 . "short wing, isoform O [Drosophila melanogaster]" . . . . . 80.00 643 100.00 100.00 1.64e-30 . . . . 15441 1 8 no REF NP_477070 . "short wing, isoform G [Drosophila melanogaster]" . . . . . 80.00 636 100.00 100.00 1.76e-30 . . . . 15441 1 9 no REF NP_477072 . "short wing, isoform I [Drosophila melanogaster]" . . . . . 80.00 627 100.00 100.00 1.47e-30 . . . . 15441 1 10 no REF NP_477074 . "short wing, isoform A [Drosophila melanogaster]" . . . . . 80.00 634 100.00 100.00 1.77e-30 . . . . 15441 1 11 no SP Q24246 . "RecName: Full=Cytoplasmic dynein 1 intermediate chain; Short=DH IC; AltName: Full=Dynein intermediate chain, cytosolic; AltName" . . . . . 80.00 663 100.00 100.00 1.98e-30 . . . . 15441 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 . SER . 15441 1 2 . HIS . 15441 1 3 . HIS . 15441 1 4 . HIS . 15441 1 5 . HIS . 15441 1 6 . HIS . 15441 1 7 . HIS . 15441 1 8 . SER . 15441 1 9 . MET . 15441 1 10 . ALA . 15441 1 11 . ASN . 15441 1 12 . SER . 15441 1 13 . ALA . 15441 1 14 . GLY . 15441 1 15 . SER . 15441 1 16 . SER . 15441 1 17 . ASN . 15441 1 18 . THR . 15441 1 19 . GLN . 15441 1 20 . THR . 15441 1 21 . PRO . 15441 1 22 . ASP . 15441 1 23 . ALA . 15441 1 24 . SER . 15441 1 25 . LEU . 15441 1 26 . GLN . 15441 1 27 . ALA . 15441 1 28 . THR . 15441 1 29 . VAL . 15441 1 30 . ASN . 15441 1 31 . GLY . 15441 1 32 . GLN . 15441 1 33 . SER . 15441 1 34 . GLY . 15441 1 35 . GLY . 15441 1 36 . LYS . 15441 1 37 . LYS . 15441 1 38 . GLN . 15441 1 39 . PRO . 15441 1 40 . LEU . 15441 1 41 . ASN . 15441 1 42 . LEU . 15441 1 43 . SER . 15441 1 44 . VAL . 15441 1 45 . TYR . 15441 1 46 . ASN . 15441 1 47 . VAL . 15441 1 48 . GLN . 15441 1 49 . ALA . 15441 1 50 . THR . 15441 1 51 . ASN . 15441 1 52 . ILE . 15441 1 53 . PRO . 15441 1 54 . PRO . 15441 1 55 . LYS . 15441 1 56 . GLU . 15441 1 57 . THR . 15441 1 58 . LEU . 15441 1 59 . VAL . 15441 1 60 . TYR . 15441 1 61 . THR . 15441 1 62 . LYS . 15441 1 63 . GLN . 15441 1 64 . THR . 15441 1 65 . GLN . 15441 1 66 . THR . 15441 1 67 . THR . 15441 1 68 . SER . 15441 1 69 . THR . 15441 1 70 . GLY . 15441 1 71 . GLY . 15441 1 72 . GLY . 15441 1 73 . ASN . 15441 1 74 . GLY . 15441 1 75 . ASP . 15441 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 15441 1 . HIS 2 2 15441 1 . HIS 3 3 15441 1 . HIS 4 4 15441 1 . HIS 5 5 15441 1 . HIS 6 6 15441 1 . HIS 7 7 15441 1 . SER 8 8 15441 1 . MET 9 9 15441 1 . ALA 10 10 15441 1 . ASN 11 11 15441 1 . SER 12 12 15441 1 . ALA 13 13 15441 1 . GLY 14 14 15441 1 . SER 15 15 15441 1 . SER 16 16 15441 1 . ASN 17 17 15441 1 . THR 18 18 15441 1 . GLN 19 19 15441 1 . THR 20 20 15441 1 . PRO 21 21 15441 1 . ASP 22 22 15441 1 . ALA 23 23 15441 1 . SER 24 24 15441 1 . LEU 25 25 15441 1 . GLN 26 26 15441 1 . ALA 27 27 15441 1 . THR 28 28 15441 1 . VAL 29 29 15441 1 . ASN 30 30 15441 1 . GLY 31 31 15441 1 . GLN 32 32 15441 1 . SER 33 33 15441 1 . GLY 34 34 15441 1 . GLY 35 35 15441 1 . LYS 36 36 15441 1 . LYS 37 37 15441 1 . GLN 38 38 15441 1 . PRO 39 39 15441 1 . LEU 40 40 15441 1 . ASN 41 41 15441 1 . LEU 42 42 15441 1 . SER 43 43 15441 1 . VAL 44 44 15441 1 . TYR 45 45 15441 1 . ASN 46 46 15441 1 . VAL 47 47 15441 1 . GLN 48 48 15441 1 . ALA 49 49 15441 1 . THR 50 50 15441 1 . ASN 51 51 15441 1 . ILE 52 52 15441 1 . PRO 53 53 15441 1 . PRO 54 54 15441 1 . LYS 55 55 15441 1 . GLU 56 56 15441 1 . THR 57 57 15441 1 . LEU 58 58 15441 1 . VAL 59 59 15441 1 . TYR 60 60 15441 1 . THR 61 61 15441 1 . LYS 62 62 15441 1 . GLN 63 63 15441 1 . THR 64 64 15441 1 . GLN 65 65 15441 1 . THR 66 66 15441 1 . THR 67 67 15441 1 . SER 68 68 15441 1 . THR 69 69 15441 1 . GLY 70 70 15441 1 . GLY 71 71 15441 1 . GLY 72 72 15441 1 . ASN 73 73 15441 1 . GLY 74 74 15441 1 . ASP 75 75 15441 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 15441 _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 $IC74 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 15441 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 15441 _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 $IC74 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . PET15d . . . . . . 15441 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15441 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IC74 '[U-100% 13C; U-100% 15N]' . . 1 $IC74 . . 1 . . mM . . . . 15441 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15441 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15441 1 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15441 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15441 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15441 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 15441 1 pH 6.5 . pH 15441 1 pressure 1 . atm 15441 1 temperature 293 . K 15441 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15441 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15441 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15441 1 stop_ save_ save_burrow-owl _Software.Sf_category software _Software.Sf_framecode burrow-owl _Software.Entry_ID 15441 _Software.ID 2 _Software.Name Burrow-Owl _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Benison, Berkholz, and Barbar' ; Biochemistry & Biophysics Oregon State University Corvallis, OR 97331 ; www.burrow-owl.org 15441 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15441 2 'data analysis' 15441 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15441 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15441 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15441 3 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 15441 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15441 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15441 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 15441 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15441 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15441 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15441 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15441 1 5 '2D 1H-15N hetnoe' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15441 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 15441 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15441 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15441 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15441 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 15441 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15441 1 2 '3D CBCA(CO)NH' . . . 15441 1 3 '3D HNCACB' . . . 15441 1 4 '3D 1H-15N NOESY' . . . 15441 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 16 16 SER H H 1 8.46 0.02 . 1 1 . . . 84 SER H . 15441 1 2 . 1 1 16 16 SER CA C 13 58.41 0.05 . 1 1 . . . 84 SER CA . 15441 1 3 . 1 1 16 16 SER CB C 13 63.90 0.05 . 1 1 . . . 84 SER CB . 15441 1 4 . 1 1 16 16 SER N N 15 117.04 0.05 . 1 1 . . . 84 SER N . 15441 1 5 . 1 1 17 17 ASN H H 1 8.51 0.02 . 1 1 . . . 85 ASN H . 15441 1 6 . 1 1 17 17 ASN CA C 13 53.39 0.05 . 1 1 . . . 85 ASN CA . 15441 1 7 . 1 1 17 17 ASN CB C 13 38.80 0.05 . 1 1 . . . 85 ASN CB . 15441 1 8 . 1 1 17 17 ASN N N 15 120.86 0.05 . 1 1 . . . 85 ASN N . 15441 1 9 . 1 1 18 18 THR H H 1 8.16 0.02 . 1 1 . . . 86 THR H . 15441 1 10 . 1 1 18 18 THR CA C 13 62.17 0.05 . 1 1 . . . 86 THR CA . 15441 1 11 . 1 1 18 18 THR CB C 13 69.70 0.05 . 1 1 . . . 86 THR CB . 15441 1 12 . 1 1 18 18 THR N N 15 114.28 0.05 . 1 1 . . . 86 THR N . 15441 1 13 . 1 1 19 19 GLN H H 1 8.50 0.02 . 1 1 . . . 87 GLN H . 15441 1 14 . 1 1 19 19 GLN CA C 13 55.90 0.05 . 1 1 . . . 87 GLN CA . 15441 1 15 . 1 1 19 19 GLN CB C 13 29.24 0.05 . 1 1 . . . 87 GLN CB . 15441 1 16 . 1 1 19 19 GLN N N 15 123.01 0.05 . 1 1 . . . 87 GLN N . 15441 1 17 . 1 1 20 20 THR H H 1 8.32 0.02 . 1 1 . . . 88 THR H . 15441 1 18 . 1 1 20 20 THR CA C 13 60.00 0.05 . 1 1 . . . 88 THR CA . 15441 1 19 . 1 1 20 20 THR CB C 13 69.61 0.05 . 1 1 . . . 88 THR CB . 15441 1 20 . 1 1 20 20 THR N N 15 118.22 0.05 . 1 1 . . . 88 THR N . 15441 1 21 . 1 1 21 21 PRO CA C 13 63.27 0.05 . 1 1 . . . 89 PRO CA . 15441 1 22 . 1 1 21 21 PRO CB C 13 32.06 0.05 . 1 1 . . . 89 PRO CB . 15441 1 23 . 1 1 22 22 ASP H H 1 8.42 0.02 . 1 1 . . . 90 ASP H . 15441 1 24 . 1 1 22 22 ASP CA C 13 54.24 0.05 . 1 1 . . . 90 ASP CA . 15441 1 25 . 1 1 22 22 ASP CB C 13 41.06 0.05 . 1 1 . . . 90 ASP CB . 15441 1 26 . 1 1 22 22 ASP N N 15 120.68 0.05 . 1 1 . . . 90 ASP N . 15441 1 27 . 1 1 23 23 ALA H H 1 8.43 0.02 . 1 1 . . . 91 ALA H . 15441 1 28 . 1 1 23 23 ALA CA C 13 53.23 0.05 . 1 1 . . . 91 ALA CA . 15441 1 29 . 1 1 23 23 ALA CB C 13 19.04 0.05 . 1 1 . . . 91 ALA CB . 15441 1 30 . 1 1 23 23 ALA N N 15 125.89 0.05 . 1 1 . . . 91 ALA N . 15441 1 31 . 1 1 24 24 SER H H 1 8.41 0.02 . 1 1 . . . 92 SER H . 15441 1 32 . 1 1 24 24 SER CA C 13 59.19 0.05 . 1 1 . . . 92 SER CA . 15441 1 33 . 1 1 24 24 SER CB C 13 63.27 0.05 . 1 1 . . . 92 SER CB . 15441 1 34 . 1 1 24 24 SER N N 15 114.73 0.05 . 1 1 . . . 92 SER N . 15441 1 35 . 1 1 25 25 LEU H H 1 8.00 0.02 . 1 1 . . . 93 LEU H . 15441 1 36 . 1 1 25 25 LEU CA C 13 55.43 0.05 . 1 1 . . . 93 LEU CA . 15441 1 37 . 1 1 25 25 LEU CB C 13 42.25 0.05 . 1 1 . . . 93 LEU CB . 15441 1 38 . 1 1 25 25 LEU N N 15 123.36 0.05 . 1 1 . . . 93 LEU N . 15441 1 39 . 1 1 26 26 GLN H H 1 8.17 0.02 . 1 1 . . . 94 GLN H . 15441 1 40 . 1 1 26 26 GLN CA C 13 55.74 0.05 . 1 1 . . . 94 GLN CA . 15441 1 41 . 1 1 26 26 GLN CB C 13 29.24 0.05 . 1 1 . . . 94 GLN CB . 15441 1 42 . 1 1 26 26 GLN N N 15 120.26 0.05 . 1 1 . . . 94 GLN N . 15441 1 43 . 1 1 27 27 ALA H H 1 8.34 0.02 . 1 1 . . . 95 ALA H . 15441 1 44 . 1 1 27 27 ALA CA C 13 52.71 0.05 . 1 1 . . . 95 ALA CA . 15441 1 45 . 1 1 27 27 ALA CB C 13 19.22 0.05 . 1 1 . . . 95 ALA CB . 15441 1 46 . 1 1 27 27 ALA N N 15 125.62 0.05 . 1 1 . . . 95 ALA N . 15441 1 47 . 1 1 28 28 THR H H 1 8.14 0.02 . 1 1 . . . 96 THR H . 15441 1 48 . 1 1 28 28 THR CA C 13 61.72 0.05 . 1 1 . . . 96 THR CA . 15441 1 49 . 1 1 28 28 THR CB C 13 69.77 0.05 . 1 1 . . . 96 THR CB . 15441 1 50 . 1 1 28 28 THR N N 15 112.84 0.05 . 1 1 . . . 96 THR N . 15441 1 51 . 1 1 29 29 VAL H H 1 8.21 0.02 . 1 1 . . . 97 VAL H . 15441 1 52 . 1 1 29 29 VAL CA C 13 62.48 0.05 . 1 1 . . . 97 VAL CA . 15441 1 53 . 1 1 29 29 VAL CB C 13 32.73 0.05 . 1 1 . . . 97 VAL CB . 15441 1 54 . 1 1 29 29 VAL N N 15 122.24 0.05 . 1 1 . . . 97 VAL N . 15441 1 55 . 1 1 30 30 ASN H H 1 8.56 0.02 . 1 1 . . . 98 ASN H . 15441 1 56 . 1 1 30 30 ASN CA C 13 53.61 0.05 . 1 1 . . . 98 ASN CA . 15441 1 57 . 1 1 30 30 ASN CB C 13 38.86 0.05 . 1 1 . . . 98 ASN CB . 15441 1 58 . 1 1 30 30 ASN N N 15 121.99 0.05 . 1 1 . . . 98 ASN N . 15441 1 59 . 1 1 31 31 GLY H H 1 8.39 0.02 . 1 1 . . . 99 GLY H . 15441 1 60 . 1 1 31 31 GLY CA C 13 45.45 0.05 . 1 1 . . . 99 GLY CA . 15441 1 61 . 1 1 31 31 GLY N N 15 109.15 0.05 . 1 1 . . . 99 GLY N . 15441 1 62 . 1 1 32 32 GLN H H 1 8.27 0.02 . 1 1 . . . 100 GLN H . 15441 1 63 . 1 1 32 32 GLN CA C 13 55.83 0.05 . 1 1 . . . 100 GLN CA . 15441 1 64 . 1 1 32 32 GLN CB C 13 29.45 0.05 . 1 1 . . . 100 GLN CB . 15441 1 65 . 1 1 32 32 GLN N N 15 119.71 0.05 . 1 1 . . . 100 GLN N . 15441 1 66 . 1 1 33 33 SER H H 1 8.62 0.02 . 1 1 . . . 101 SER H . 15441 1 67 . 1 1 33 33 SER CA C 13 58.63 0.05 . 1 1 . . . 101 SER CA . 15441 1 68 . 1 1 33 33 SER CB C 13 63.81 0.05 . 1 1 . . . 101 SER CB . 15441 1 69 . 1 1 33 33 SER N N 15 117.77 0.05 . 1 1 . . . 101 SER N . 15441 1 70 . 1 1 34 34 GLY H H 1 8.52 0.02 . 1 1 . . . 102 GLY H . 15441 1 71 . 1 1 34 34 GLY CA C 13 45.61 0.05 . 1 1 . . . 102 GLY CA . 15441 1 72 . 1 1 34 34 GLY N N 15 111.06 0.05 . 1 1 . . . 102 GLY N . 15441 1 73 . 1 1 35 35 GLY H H 1 8.32 0.02 . 1 1 . . . 103 GLY H . 15441 1 74 . 1 1 35 35 GLY CA C 13 45.30 0.05 . 1 1 . . . 103 GLY CA . 15441 1 75 . 1 1 35 35 GLY N N 15 108.69 0.05 . 1 1 . . . 103 GLY N . 15441 1 76 . 1 1 36 36 LYS H H 1 8.22 0.02 . 1 1 . . . 104 LYS H . 15441 1 77 . 1 1 36 36 LYS CA C 13 56.28 0.05 . 1 1 . . . 104 LYS CA . 15441 1 78 . 1 1 36 36 LYS CB C 13 33.22 0.05 . 1 1 . . . 104 LYS CB . 15441 1 79 . 1 1 36 36 LYS N N 15 120.86 0.05 . 1 1 . . . 104 LYS N . 15441 1 80 . 1 1 37 37 LYS H H 1 8.46 0.02 . 1 1 . . . 105 LYS H . 15441 1 81 . 1 1 37 37 LYS CA C 13 55.96 0.05 . 1 1 . . . 105 LYS CA . 15441 1 82 . 1 1 37 37 LYS CB C 13 29.29 0.05 . 1 1 . . . 105 LYS CB . 15441 1 83 . 1 1 37 37 LYS N N 15 123.15 0.05 . 1 1 . . . 105 LYS N . 15441 1 84 . 1 1 38 38 GLN H H 1 8.88 0.02 . 1 1 . . . 106 GLN H . 15441 1 85 . 1 1 38 38 GLN CA C 13 55.81 0.05 . 1 1 . . . 106 GLN CA . 15441 1 86 . 1 1 38 38 GLN CB C 13 29.14 0.05 . 1 1 . . . 106 GLN CB . 15441 1 87 . 1 1 38 38 GLN N N 15 120.71 0.05 . 1 1 . . . 106 GLN N . 15441 1 88 . 1 1 39 39 PRO CA C 13 63.03 0.05 . 1 1 . . . 107 PRO CA . 15441 1 89 . 1 1 39 39 PRO CB C 13 31.99 0.05 . 1 1 . . . 107 PRO CB . 15441 1 90 . 1 1 40 40 LEU H H 1 8.39 0.02 . 1 1 . . . 108 LEU H . 15441 1 91 . 1 1 40 40 LEU CA C 13 55.23 0.05 . 1 1 . . . 108 LEU CA . 15441 1 92 . 1 1 40 40 LEU CB C 13 42.50 0.05 . 1 1 . . . 108 LEU CB . 15441 1 93 . 1 1 40 40 LEU N N 15 122.34 0.05 . 1 1 . . . 108 LEU N . 15441 1 94 . 1 1 41 41 ASN H H 1 8.47 0.02 . 1 1 . . . 109 ASN H . 15441 1 95 . 1 1 41 41 ASN CA C 13 52.92 0.05 . 1 1 . . . 109 ASN CA . 15441 1 96 . 1 1 41 41 ASN CB C 13 38.59 0.05 . 1 1 . . . 109 ASN CB . 15441 1 97 . 1 1 41 41 ASN N N 15 119.41 0.05 . 1 1 . . . 109 ASN N . 15441 1 98 . 1 1 42 42 LEU H H 1 8.27 0.02 . 1 1 . . . 110 LEU H . 15441 1 99 . 1 1 42 42 LEU CA C 13 55.37 0.05 . 1 1 . . . 110 LEU CA . 15441 1 100 . 1 1 42 42 LEU CB C 13 42.10 0.05 . 1 1 . . . 110 LEU CB . 15441 1 101 . 1 1 42 42 LEU N N 15 122.91 0.05 . 1 1 . . . 110 LEU N . 15441 1 102 . 1 1 43 43 SER H H 1 8.34 0.02 . 1 1 . . . 111 SER H . 15441 1 103 . 1 1 43 43 SER CA C 13 58.63 0.05 . 1 1 . . . 111 SER CA . 15441 1 104 . 1 1 43 43 SER CB C 13 63.57 0.05 . 1 1 . . . 111 SER CB . 15441 1 105 . 1 1 43 43 SER N N 15 116.52 0.05 . 1 1 . . . 111 SER N . 15441 1 106 . 1 1 44 44 VAL H H 1 7.92 0.02 . 1 1 . . . 112 VAL H . 15441 1 107 . 1 1 44 44 VAL CA C 13 62.44 0.05 . 1 1 . . . 112 VAL CA . 15441 1 108 . 1 1 44 44 VAL CB C 13 32.62 0.05 . 1 1 . . . 112 VAL CB . 15441 1 109 . 1 1 44 44 VAL N N 15 120.57 0.05 . 1 1 . . . 112 VAL N . 15441 1 110 . 1 1 45 45 TYR H H 1 8.11 0.02 . 1 1 . . . 113 TYR H . 15441 1 111 . 1 1 45 45 TYR CA C 13 58.01 0.05 . 1 1 . . . 113 TYR CA . 15441 1 112 . 1 1 45 45 TYR CB C 13 38.74 0.05 . 1 1 . . . 113 TYR CB . 15441 1 113 . 1 1 45 45 TYR N N 15 122.78 0.05 . 1 1 . . . 113 TYR N . 15441 1 114 . 1 1 46 46 ASN H H 1 8.26 0.02 . 1 1 . . . 114 ASN H . 15441 1 115 . 1 1 46 46 ASN CA C 13 53.07 0.05 . 1 1 . . . 114 ASN CA . 15441 1 116 . 1 1 46 46 ASN CB C 13 39.06 0.05 . 1 1 . . . 114 ASN CB . 15441 1 117 . 1 1 46 46 ASN N N 15 121.03 0.05 . 1 1 . . . 114 ASN N . 15441 1 118 . 1 1 47 47 VAL H H 1 8.05 0.02 . 1 1 . . . 115 VAL H . 15441 1 119 . 1 1 47 47 VAL CA C 13 62.47 0.05 . 1 1 . . . 115 VAL CA . 15441 1 120 . 1 1 47 47 VAL CB C 13 32.79 0.05 . 1 1 . . . 115 VAL CB . 15441 1 121 . 1 1 47 47 VAL N N 15 120.81 0.05 . 1 1 . . . 115 VAL N . 15441 1 122 . 1 1 48 48 GLN H H 1 8.42 0.02 . 1 1 . . . 116 GLN H . 15441 1 123 . 1 1 48 48 GLN CA C 13 55.94 0.05 . 1 1 . . . 116 GLN CA . 15441 1 124 . 1 1 48 48 GLN CB C 13 29.03 0.05 . 1 1 . . . 116 GLN CB . 15441 1 125 . 1 1 48 48 GLN N N 15 123.64 0.05 . 1 1 . . . 116 GLN N . 15441 1 126 . 1 1 49 49 ALA H H 1 8.23 0.02 . 1 1 . . . 117 ALA H . 15441 1 127 . 1 1 49 49 ALA CA C 13 52.76 0.05 . 1 1 . . . 117 ALA CA . 15441 1 128 . 1 1 49 49 ALA CB C 13 19.32 0.05 . 1 1 . . . 117 ALA CB . 15441 1 129 . 1 1 49 49 ALA N N 15 124.52 0.05 . 1 1 . . . 117 ALA N . 15441 1 130 . 1 1 50 50 THR H H 1 8.13 0.02 . 1 1 . . . 118 THR H . 15441 1 131 . 1 1 50 50 THR CA C 13 62.15 0.05 . 1 1 . . . 118 THR CA . 15441 1 132 . 1 1 50 50 THR CB C 13 69.63 0.05 . 1 1 . . . 118 THR CB . 15441 1 133 . 1 1 50 50 THR N N 15 113.59 0.05 . 1 1 . . . 118 THR N . 15441 1 134 . 1 1 51 51 ASN H H 1 8.43 0.02 . 1 1 . . . 119 ASN H . 15441 1 135 . 1 1 51 51 ASN CA C 13 53.23 0.05 . 1 1 . . . 119 ASN CA . 15441 1 136 . 1 1 51 51 ASN CB C 13 38.74 0.05 . 1 1 . . . 119 ASN CB . 15441 1 137 . 1 1 51 51 ASN N N 15 121.01 0.05 . 1 1 . . . 119 ASN N . 15441 1 138 . 1 1 52 52 ILE H H 1 8.11 0.02 . 1 1 . . . 120 ILE H . 15441 1 139 . 1 1 52 52 ILE CA C 13 58.33 0.05 . 1 1 . . . 120 ILE CA . 15441 1 140 . 1 1 52 52 ILE CB C 13 38.59 0.05 . 1 1 . . . 120 ILE CB . 15441 1 141 . 1 1 52 52 ILE N N 15 123.23 0.05 . 1 1 . . . 120 ILE N . 15441 1 142 . 1 1 54 54 PRO CA C 13 62.49 0.05 . 1 1 . . . 122 PRO CA . 15441 1 143 . 1 1 54 54 PRO CB C 13 31.90 0.05 . 1 1 . . . 122 PRO CB . 15441 1 144 . 1 1 55 55 LYS H H 1 8.45 0.02 . 1 1 . . . 123 LYS H . 15441 1 145 . 1 1 55 55 LYS CA C 13 56.53 0.05 . 1 1 . . . 123 LYS CA . 15441 1 146 . 1 1 55 55 LYS CB C 13 32.84 0.05 . 1 1 . . . 123 LYS CB . 15441 1 147 . 1 1 55 55 LYS N N 15 121.85 0.05 . 1 1 . . . 123 LYS N . 15441 1 148 . 1 1 56 56 GLU H H 1 8.49 0.02 . 1 1 . . . 124 GLU H . 15441 1 149 . 1 1 56 56 GLU CA C 13 56.37 0.05 . 1 1 . . . 124 GLU CA . 15441 1 150 . 1 1 56 56 GLU CB C 13 29.86 0.05 . 1 1 . . . 124 GLU CB . 15441 1 151 . 1 1 56 56 GLU N N 15 122.15 0.05 . 1 1 . . . 124 GLU N . 15441 1 152 . 1 1 57 57 THR H H 1 8.26 0.02 . 1 1 . . . 125 THR H . 15441 1 153 . 1 1 57 57 THR CA C 13 62.17 0.05 . 1 1 . . . 125 THR CA . 15441 1 154 . 1 1 57 57 THR CB C 13 69.70 0.05 . 1 1 . . . 125 THR CB . 15441 1 155 . 1 1 57 57 THR N N 15 116.21 0.05 . 1 1 . . . 125 THR N . 15441 1 156 . 1 1 58 58 LEU H H 1 8.25 0.02 . 1 1 . . . 126 LEU H . 15441 1 157 . 1 1 58 58 LEU CA C 13 55.12 0.05 . 1 1 . . . 126 LEU CA . 15441 1 158 . 1 1 58 58 LEU CB C 13 42.10 0.05 . 1 1 . . . 126 LEU CB . 15441 1 159 . 1 1 58 58 LEU N N 15 125.44 0.05 . 1 1 . . . 126 LEU N . 15441 1 160 . 1 1 59 59 VAL H H 1 8.03 0.02 . 1 1 . . . 127 VAL H . 15441 1 161 . 1 1 59 59 VAL CA C 13 62.17 0.05 . 1 1 . . . 127 VAL CA . 15441 1 162 . 1 1 59 59 VAL CB C 13 32.53 0.05 . 1 1 . . . 127 VAL CB . 15441 1 163 . 1 1 59 59 VAL N N 15 121.08 0.05 . 1 1 . . . 127 VAL N . 15441 1 164 . 1 1 60 60 TYR H H 1 8.35 0.02 . 1 1 . . . 128 TYR H . 15441 1 165 . 1 1 60 60 TYR CA C 13 57.94 0.05 . 1 1 . . . 128 TYR CA . 15441 1 166 . 1 1 60 60 TYR CB C 13 38.96 0.05 . 1 1 . . . 128 TYR CB . 15441 1 167 . 1 1 60 60 TYR N N 15 124.52 0.05 . 1 1 . . . 128 TYR N . 15441 1 168 . 1 1 61 61 THR H H 1 8.08 0.02 . 1 1 . . . 129 THR H . 15441 1 169 . 1 1 61 61 THR CA C 13 61.61 0.05 . 1 1 . . . 129 THR CA . 15441 1 170 . 1 1 61 61 THR CB C 13 69.93 0.05 . 1 1 . . . 129 THR CB . 15441 1 171 . 1 1 61 61 THR N N 15 116.83 0.05 . 1 1 . . . 129 THR N . 15441 1 172 . 1 1 62 62 LYS H H 1 8.31 0.02 . 1 1 . . . 130 LYS H . 15441 1 173 . 1 1 62 62 LYS CA C 13 56.75 0.05 . 1 1 . . . 130 LYS CA . 15441 1 174 . 1 1 62 62 LYS CB C 13 33.07 0.05 . 1 1 . . . 130 LYS CB . 15441 1 175 . 1 1 62 62 LYS N N 15 123.90 0.05 . 1 1 . . . 130 LYS N . 15441 1 176 . 1 1 63 63 GLN H H 1 8.56 0.02 . 1 1 . . . 131 GLN H . 15441 1 177 . 1 1 63 63 GLN CA C 13 56.75 0.05 . 1 1 . . . 131 GLN CA . 15441 1 178 . 1 1 63 63 GLN CB C 13 30.23 0.05 . 1 1 . . . 131 GLN CB . 15441 1 179 . 1 1 63 63 GLN N N 15 121.91 0.05 . 1 1 . . . 131 GLN N . 15441 1 180 . 1 1 64 64 THR H H 1 8.26 0.02 . 1 1 . . . 132 THR H . 15441 1 181 . 1 1 64 64 THR CA C 13 61.93 0.05 . 1 1 . . . 132 THR CA . 15441 1 182 . 1 1 64 64 THR CB C 13 69.77 0.05 . 1 1 . . . 132 THR CB . 15441 1 183 . 1 1 64 64 THR N N 15 115.96 0.05 . 1 1 . . . 132 THR N . 15441 1 184 . 1 1 65 65 GLN H H 1 8.43 0.02 . 1 1 . . . 133 GLN H . 15441 1 185 . 1 1 65 65 GLN CA C 13 56.12 0.05 . 1 1 . . . 133 GLN CA . 15441 1 186 . 1 1 65 65 GLN CB C 13 29.61 0.05 . 1 1 . . . 133 GLN CB . 15441 1 187 . 1 1 65 65 GLN N N 15 122.78 0.05 . 1 1 . . . 133 GLN N . 15441 1 188 . 1 1 66 66 THR H H 1 8.37 0.02 . 1 1 . . . 134 THR H . 15441 1 189 . 1 1 66 66 THR CA C 13 61.93 0.05 . 1 1 . . . 134 THR CA . 15441 1 190 . 1 1 66 66 THR CB C 13 69.77 0.05 . 1 1 . . . 134 THR CB . 15441 1 191 . 1 1 66 66 THR N N 15 115.98 0.05 . 1 1 . . . 134 THR N . 15441 1 192 . 1 1 67 67 THR CA C 13 61.54 0.05 . 1 1 . . . 135 THR CA . 15441 1 193 . 1 1 67 67 THR CB C 13 69.78 0.05 . 1 1 . . . 135 THR CB . 15441 1 194 . 1 1 68 68 SER H H 1 8.49 0.02 . 1 1 . . . 136 SER H . 15441 1 195 . 1 1 68 68 SER CA C 13 58.48 0.05 . 1 1 . . . 136 SER CA . 15441 1 196 . 1 1 68 68 SER CB C 13 63.62 0.05 . 1 1 . . . 136 SER CB . 15441 1 197 . 1 1 68 68 SER N N 15 118.29 0.05 . 1 1 . . . 136 SER N . 15441 1 198 . 1 1 69 69 THR H H 1 8.32 0.02 . 1 1 . . . 137 THR H . 15441 1 199 . 1 1 69 69 THR CA C 13 61.86 0.05 . 1 1 . . . 137 THR CA . 15441 1 200 . 1 1 69 69 THR CB C 13 69.86 0.05 . 1 1 . . . 137 THR CB . 15441 1 201 . 1 1 69 69 THR N N 15 115.56 0.05 . 1 1 . . . 137 THR N . 15441 1 202 . 1 1 70 70 GLY H H 1 8.47 0.02 . 1 1 . . . 138 GLY H . 15441 1 203 . 1 1 70 70 GLY CA C 13 45.45 0.05 . 1 1 . . . 138 GLY CA . 15441 1 204 . 1 1 70 70 GLY N N 15 111.26 0.05 . 1 1 . . . 138 GLY N . 15441 1 205 . 1 1 71 71 GLY H H 1 8.39 0.02 . 1 1 . . . 139 GLY H . 15441 1 206 . 1 1 71 71 GLY CA C 13 44.92 0.05 . 1 1 . . . 139 GLY CA . 15441 1 207 . 1 1 71 71 GLY N N 15 109.03 0.05 . 1 1 . . . 139 GLY N . 15441 1 208 . 1 1 72 72 GLY H H 1 8.42 0.02 . 1 1 . . . 140 GLY H . 15441 1 209 . 1 1 72 72 GLY CA C 13 45.08 0.05 . 1 1 . . . 140 GLY CA . 15441 1 210 . 1 1 72 72 GLY N N 15 109.05 0.05 . 1 1 . . . 140 GLY N . 15441 1 211 . 1 1 73 73 ASN H H 1 8.50 0.02 . 1 1 . . . 141 ASN H . 15441 1 212 . 1 1 73 73 ASN CA C 13 53.14 0.05 . 1 1 . . . 141 ASN CA . 15441 1 213 . 1 1 73 73 ASN CB C 13 39.18 0.05 . 1 1 . . . 141 ASN CB . 15441 1 214 . 1 1 73 73 ASN N N 15 118.52 0.05 . 1 1 . . . 141 ASN N . 15441 1 215 . 1 1 74 74 GLY H H 1 8.47 0.02 . 1 1 . . . 142 GLY H . 15441 1 216 . 1 1 74 74 GLY CA C 13 45.14 0.05 . 1 1 . . . 142 GLY CA . 15441 1 217 . 1 1 74 74 GLY N N 15 110.02 0.05 . 1 1 . . . 142 GLY N . 15441 1 218 . 1 1 75 75 ASP H H 1 7.96 0.02 . 1 1 . . . 143 ASP H . 15441 1 219 . 1 1 75 75 ASP CA C 13 55.81 0.05 . 1 1 . . . 143 ASP CA . 15441 1 220 . 1 1 75 75 ASP CB C 13 42.00 0.05 . 1 1 . . . 143 ASP CB . 15441 1 221 . 1 1 75 75 ASP N N 15 125.84 0.05 . 1 1 . . . 143 ASP N . 15441 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15441 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 5 '2D 1H-15N hetnoe' . . . 15441 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 16 16 SER H H 1 . 1 1 16 16 SER N N 15 -7.07 -0.67 . . . 84 SER . . 84 SER . 15441 1 2 . 1 1 17 17 ASN H H 1 . 1 1 17 17 ASN N N 15 -7.02 -0.60 . . . 85 ASN . . 85 ASN . 15441 1 3 . 1 1 18 18 THR H H 1 . 1 1 18 18 THR N N 15 -4.92 -0.39 . . . 86 THR . . 86 THR . 15441 1 4 . 1 1 19 19 GLN H H 1 . 1 1 19 19 GLN N N 15 -6.79 -0.35 . . . 87 GLN . . 87 GLN . 15441 1 5 . 1 1 20 20 THR H H 1 . 1 1 20 20 THR N N 15 -4.36 -0.33 . . . 88 THR . . 88 THR . 15441 1 6 . 1 1 22 22 ASP H H 1 . 1 1 22 22 ASP N N 15 -5.49 -0.39 . . . 90 ASP . . 90 ASP . 15441 1 7 . 1 1 23 23 ALA H H 1 . 1 1 23 23 ALA N N 15 -9.02 -0.41 . . . 91 ALA . . 91 ALA . 15441 1 8 . 1 1 24 24 SER H H 1 . 1 1 24 24 SER N N 15 -1.43 -0.11 . . . 92 SER . . 92 SER . 15441 1 9 . 1 1 25 25 LEU H H 1 . 1 1 25 25 LEU N N 15 -0.68 -0.04 . . . 93 LEU . . 93 LEU . 15441 1 10 . 1 1 26 26 GLN H H 1 . 1 1 26 26 GLN N N 15 -1.55 -0.11 . . . 94 GLN . . 94 GLN . 15441 1 11 . 1 1 27 27 ALA H H 1 . 1 1 27 27 ALA N N 15 -2.34 -0.18 . . . 95 ALA . . 95 ALA . 15441 1 12 . 1 1 28 28 THR H H 1 . 1 1 28 28 THR N N 15 -3.01 -0.25 . . . 96 THR . . 96 THR . 15441 1 13 . 1 1 29 29 VAL H H 1 . 1 1 29 29 VAL N N 15 -0.15 -0.01 . . . 97 VAL . . 97 VAL . 15441 1 14 . 1 1 30 30 ASN H H 1 . 1 1 30 30 ASN N N 15 0.01 0.00 . . . 98 ASN . . 98 ASN . 15441 1 15 . 1 1 31 31 GLY H H 1 . 1 1 31 31 GLY N N 15 -29.19 -1.25 . . . 99 GLY . . 99 GLY . 15441 1 16 . 1 1 32 32 GLN H H 1 . 1 1 32 32 GLN N N 15 -0.23 -0.02 . . . 100 GLN . . 100 GLN . 15441 1 17 . 1 1 33 33 SER H H 1 . 1 1 33 33 SER N N 15 -0.26 -0.04 . . . 101 SER . . 101 SER . 15441 1 18 . 1 1 34 34 GLY H H 1 . 1 1 34 34 GLY N N 15 -6.73 -0.48 . . . 102 GLY . . 102 GLY . 15441 1 19 . 1 1 35 35 GLY H H 1 . 1 1 35 35 GLY N N 15 -5.89 -0.52 . . . 103 GLY . . 103 GLY . 15441 1 20 . 1 1 36 36 LYS H H 1 . 1 1 36 36 LYS N N 15 -1.65 -0.11 . . . 104 LYS . . 104 LYS . 15441 1 21 . 1 1 37 37 LYS H H 1 . 1 1 37 37 LYS N N 15 -8.63 -0.27 . . . 105 LYS . . 105 LYS . 15441 1 22 . 1 1 38 38 GLN H H 1 . 1 1 38 38 GLN N N 15 0.07 0.01 . . . 106 GLN . . 106 GLN . 15441 1 23 . 1 1 40 40 LEU H H 1 . 1 1 40 40 LEU N N 15 -3.29 -0.25 . . . 108 LEU . . 108 LEU . 15441 1 24 . 1 1 41 41 ASN H H 1 . 1 1 41 41 ASN N N 15 -1.80 -0.14 . . . 109 ASN . . 109 ASN . 15441 1 25 . 1 1 42 42 LEU H H 1 . 1 1 42 42 LEU N N 15 0.05 0.00 . . . 110 LEU . . 110 LEU . 15441 1 26 . 1 1 43 43 SER H H 1 . 1 1 43 43 SER N N 15 -3.96 -0.20 . . . 111 SER . . 111 SER . 15441 1 27 . 1 1 44 44 VAL H H 1 . 1 1 44 44 VAL N N 15 1.86 0.13 . . . 112 VAL . . 112 VAL . 15441 1 28 . 1 1 45 45 TYR H H 1 . 1 1 45 45 TYR N N 15 -2.41 -0.19 . . . 113 TYR . . 113 TYR . 15441 1 29 . 1 1 46 46 ASN H H 1 . 1 1 46 46 ASN N N 15 -0.95 -0.06 . . . 114 ASN . . 114 ASN . 15441 1 30 . 1 1 47 47 VAL H H 1 . 1 1 47 47 VAL N N 15 -3.42 -0.23 . . . 115 VAL . . 115 VAL . 15441 1 31 . 1 1 48 48 GLN H H 1 . 1 1 48 48 GLN N N 15 -2.81 -0.21 . . . 116 GLN . . 116 GLN . 15441 1 32 . 1 1 49 49 ALA H H 1 . 1 1 49 49 ALA N N 15 0.15 0.01 . . . 117 ALA . . 117 ALA . 15441 1 33 . 1 1 50 50 THR H H 1 . 1 1 50 50 THR N N 15 -2.70 -0.19 . . . 118 THR . . 118 THR . 15441 1 34 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 -2.68 -0.20 . . . 119 ASN . . 119 ASN . 15441 1 35 . 1 1 52 52 ILE H H 1 . 1 1 52 52 ILE N N 15 -3.52 -0.22 . . . 120 ILE . . 120 ILE . 15441 1 36 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 -1.92 -0.12 . . . 123 LYS . . 123 LYS . 15441 1 37 . 1 1 56 56 GLU H H 1 . 1 1 56 56 GLU N N 15 -1.45 -0.07 . . . 124 GLU . . 124 GLU . 15441 1 38 . 1 1 57 57 THR H H 1 . 1 1 57 57 THR N N 15 -4.60 -0.13 . . . 125 THR . . 125 THR . 15441 1 39 . 1 1 58 58 LEU H H 1 . 1 1 58 58 LEU N N 15 0.51 0.04 . . . 126 LEU . . 126 LEU . 15441 1 40 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 -3.12 -0.13 . . . 127 VAL . . 127 VAL . 15441 1 41 . 1 1 60 60 TYR H H 1 . 1 1 60 60 TYR N N 15 -1.74 -0.12 . . . 128 TYR . . 128 TYR . 15441 1 42 . 1 1 61 61 THR H H 1 . 1 1 61 61 THR N N 15 -2.21 -0.17 . . . 129 THR . . 129 THR . 15441 1 43 . 1 1 62 62 LYS H H 1 . 1 1 62 62 LYS N N 15 -0.00 -0.00 . . . 130 LYS . . 130 LYS . 15441 1 44 . 1 1 63 63 GLN H H 1 . 1 1 63 63 GLN N N 15 0.72 0.03 . . . 131 GLN . . 131 GLN . 15441 1 45 . 1 1 64 64 THR H H 1 . 1 1 64 64 THR N N 15 -1.92 -0.09 . . . 132 THR . . 132 THR . 15441 1 46 . 1 1 65 65 GLN H H 1 . 1 1 65 65 GLN N N 15 -6.96 -0.50 . . . 133 GLN . . 133 GLN . 15441 1 47 . 1 1 66 66 THR H H 1 . 1 1 66 66 THR N N 15 -4.84 -0.48 . . . 134 THR . . 134 THR . 15441 1 48 . 1 1 68 68 SER H H 1 . 1 1 68 68 SER N N 15 -7.59 -0.69 . . . 136 SER . . 136 SER . 15441 1 49 . 1 1 69 69 THR H H 1 . 1 1 69 69 THR N N 15 -9.13 -1.01 . . . 137 THR . . 137 THR . 15441 1 50 . 1 1 70 70 GLY H H 1 . 1 1 70 70 GLY N N 15 -15.26 -1.12 . . . 138 GLY . . 138 GLY . 15441 1 51 . 1 1 71 71 GLY H H 1 . 1 1 71 71 GLY N N 15 -30.59 -1.59 . . . 139 GLY . . 139 GLY . 15441 1 52 . 1 1 72 72 GLY H H 1 . 1 1 72 72 GLY N N 15 -40.07 -1.73 . . . 140 GLY . . 140 GLY . 15441 1 53 . 1 1 73 73 ASN H H 1 . 1 1 73 73 ASN N N 15 -27.46 -1.57 . . . 141 ASN . . 141 ASN . 15441 1 54 . 1 1 74 74 GLY H H 1 . 1 1 74 74 GLY N N 15 -26.98 -2.79 . . . 142 GLY . . 142 GLY . 15441 1 55 . 1 1 75 75 ASP H H 1 . 1 1 75 75 ASP N N 15 -27.86 -1.79 . . . 143 ASP . . 143 ASP . 15441 1 stop_ save_