data_17048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17048 _Entry.Title ; AP180 aa 623-680 Backbone Assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-06 _Entry.Accession_date 2010-07-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone sequencial assignment of AP180 fragment aa 623-680 (AP180 M5)' _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 Yue Zhuo . . . 17048 2 Udayar Ilangovan . P. . 17048 3 Andrew Hinck . . . 17048 4 Eileen Lafer . M. . 17048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 151 17048 '15N chemical shifts' 45 17048 '1H chemical shifts' 92 17048 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 . . 2014-05-16 2010-07-06 update BMRB 'update entry citation' 17048 1 . . 2012-08-02 2010-07-06 original author 'original release' 17048 stop_ save_ ############### # Citations # ############### save_Zhuo_2010 _Citation.Sf_category citations _Citation.Sf_framecode Zhuo_2010 _Citation.Entry_ID 17048 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20875424 _Citation.Full_citation . _Citation.Title 'Dynamic interactions between clathrin and locally structured elements in a disordered protein mediate clathrin lattice assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 404 _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 274 _Citation.Page_last 290 _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 Yue Zhuo . . . 17048 1 2 Udayar Ilangovan . . . 17048 1 3 Virgil Schirf . . . 17048 1 4 Borries Demeler . . . 17048 1 5 Rui Sousa . . . 17048 1 6 Andrew Hinck . P. . 17048 1 7 Eileen Lafer . M. . 17048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17048 _Assembly.ID 1 _Assembly.Name 'AP180 M5' _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 'AP180 M5' 1 $AP180_M5 A . yes native no no . . . 17048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AP180_M5 _Entity.Sf_category entity _Entity.Sf_framecode AP180_M5 _Entity.Entry_ID 17048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AP180_M5 _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 ; ASTASPAKAESSGVIDLFGD AFGSGASETQPAPQAVSSSS ASADLLAGFGGSFMAPST ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'AP180 M5 fragment (623-680)' _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 2015-11-25 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 DBJ BAC41439 . "mKIAA0656 protein [Mus musculus]" . . . . . 100.00 608 100.00 100.00 4.07e-25 . . . . 17048 1 2 no EMBL CAA48748 . "assembly protein 180 (AP180) [Rattus norvegicus]" . . . . . 100.00 896 98.28 98.28 5.86e-24 . . . . 17048 1 3 no EMBL CAA48749 . "assembly protein 180 (AP180) + insert [Rattus norvegicus]" . . . . . 100.00 915 98.28 98.28 7.28e-24 . . . . 17048 1 4 no GB AAA37586 . "phosphoprotein [Mus musculus]" . . . . . 100.00 896 100.00 100.00 9.22e-25 . . . . 17048 1 5 no GB AAA37587 . "phosphoprotein [Mus musculus]" . . . . . 100.00 901 100.00 100.00 9.46e-25 . . . . 17048 1 6 no GB AAH31773 . "Snap91 protein [Mus musculus]" . . . . . 100.00 868 100.00 100.00 7.23e-25 . . . . 17048 1 7 no GB AAH52454 . "Snap91 protein [Mus musculus]" . . . . . 100.00 627 100.00 100.00 3.89e-25 . . . . 17048 1 8 no GB EDL26508 . "synaptosomal-associated protein 91, isoform CRA_a [Mus musculus]" . . . . . 100.00 901 100.00 100.00 9.46e-25 . . . . 17048 1 9 no REF NP_001264911 . "clathrin coat assembly protein AP180 isoform 3 [Mus musculus]" . . . . . 100.00 868 100.00 100.00 7.23e-25 . . . . 17048 1 10 no REF NP_001264915 . "clathrin coat assembly protein AP180 isoform 2 [Mus musculus]" . . . . . 100.00 896 100.00 100.00 9.22e-25 . . . . 17048 1 11 no REF NP_038697 . "clathrin coat assembly protein AP180 isoform 1 [Mus musculus]" . . . . . 100.00 901 100.00 100.00 9.46e-25 . . . . 17048 1 12 no REF NP_113916 . "clathrin coat assembly protein AP180 [Rattus norvegicus]" . . . . . 100.00 915 98.28 98.28 7.28e-24 . . . . 17048 1 13 no REF XP_006243553 . "PREDICTED: clathrin coat assembly protein AP180 isoform X1 [Rattus norvegicus]" . . . . . 100.00 904 98.28 98.28 5.69e-24 . . . . 17048 1 14 no SP Q05140 . "RecName: Full=Clathrin coat assembly protein AP180; AltName: Full=91 kDa synaptosomal-associated protein; AltName: Full=Clathri" . . . . . 100.00 915 98.28 98.28 7.28e-24 . . . . 17048 1 15 no SP Q61548 . "RecName: Full=Clathrin coat assembly protein AP180; AltName: Full=91 kDa synaptosomal-associated protein; AltName: Full=Clathri" . . . . . 100.00 901 100.00 100.00 9.46e-25 . . . . 17048 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 1 623 ALA . 17048 1 2 624 SER . 17048 1 3 625 THR . 17048 1 4 626 ALA . 17048 1 5 627 SER . 17048 1 6 628 PRO . 17048 1 7 629 ALA . 17048 1 8 630 LYS . 17048 1 9 631 ALA . 17048 1 10 632 GLU . 17048 1 11 633 SER . 17048 1 12 634 SER . 17048 1 13 635 GLY . 17048 1 14 636 VAL . 17048 1 15 637 ILE . 17048 1 16 638 ASP . 17048 1 17 639 LEU . 17048 1 18 640 PHE . 17048 1 19 641 GLY . 17048 1 20 642 ASP . 17048 1 21 643 ALA . 17048 1 22 644 PHE . 17048 1 23 645 GLY . 17048 1 24 646 SER . 17048 1 25 647 GLY . 17048 1 26 648 ALA . 17048 1 27 649 SER . 17048 1 28 650 GLU . 17048 1 29 651 THR . 17048 1 30 652 GLN . 17048 1 31 653 PRO . 17048 1 32 654 ALA . 17048 1 33 655 PRO . 17048 1 34 656 GLN . 17048 1 35 657 ALA . 17048 1 36 658 VAL . 17048 1 37 659 SER . 17048 1 38 660 SER . 17048 1 39 661 SER . 17048 1 40 662 SER . 17048 1 41 663 ALA . 17048 1 42 664 SER . 17048 1 43 665 ALA . 17048 1 44 666 ASP . 17048 1 45 667 LEU . 17048 1 46 668 LEU . 17048 1 47 669 ALA . 17048 1 48 670 GLY . 17048 1 49 671 PHE . 17048 1 50 672 GLY . 17048 1 51 673 GLY . 17048 1 52 674 SER . 17048 1 53 675 PHE . 17048 1 54 676 MET . 17048 1 55 677 ALA . 17048 1 56 678 PRO . 17048 1 57 679 SER . 17048 1 58 680 THR . 17048 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 . ALA 1 1 17048 1 . SER 2 2 17048 1 . THR 3 3 17048 1 . ALA 4 4 17048 1 . SER 5 5 17048 1 . PRO 6 6 17048 1 . ALA 7 7 17048 1 . LYS 8 8 17048 1 . ALA 9 9 17048 1 . GLU 10 10 17048 1 . SER 11 11 17048 1 . SER 12 12 17048 1 . GLY 13 13 17048 1 . VAL 14 14 17048 1 . ILE 15 15 17048 1 . ASP 16 16 17048 1 . LEU 17 17 17048 1 . PHE 18 18 17048 1 . GLY 19 19 17048 1 . ASP 20 20 17048 1 . ALA 21 21 17048 1 . PHE 22 22 17048 1 . GLY 23 23 17048 1 . SER 24 24 17048 1 . GLY 25 25 17048 1 . ALA 26 26 17048 1 . SER 27 27 17048 1 . GLU 28 28 17048 1 . THR 29 29 17048 1 . GLN 30 30 17048 1 . PRO 31 31 17048 1 . ALA 32 32 17048 1 . PRO 33 33 17048 1 . GLN 34 34 17048 1 . ALA 35 35 17048 1 . VAL 36 36 17048 1 . SER 37 37 17048 1 . SER 38 38 17048 1 . SER 39 39 17048 1 . SER 40 40 17048 1 . ALA 41 41 17048 1 . SER 42 42 17048 1 . ALA 43 43 17048 1 . ASP 44 44 17048 1 . LEU 45 45 17048 1 . LEU 46 46 17048 1 . ALA 47 47 17048 1 . GLY 48 48 17048 1 . PHE 49 49 17048 1 . GLY 50 50 17048 1 . GLY 51 51 17048 1 . SER 52 52 17048 1 . PHE 53 53 17048 1 . MET 54 54 17048 1 . ALA 55 55 17048 1 . PRO 56 56 17048 1 . SER 57 57 17048 1 . THR 58 58 17048 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 17048 _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 $AP180_M5 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17048 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 17048 _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 $AP180_M5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) plysS' . . . . . . . . . . . . . . . pGEX-4T-1 . . . . . . 17048 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17048 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'AP180 M5' '[U-13C; U-15N]' . . 1 $AP180_M5 . . . 300 500 uM . . . . 17048 1 2 'disodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17048 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17048 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17048 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17048 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17048 1 stop_ save_ ####################### # Sample conditions # ####################### save_AP180_M5_Sample_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode AP180_M5_Sample_Conditions _Sample_condition_list.Entry_ID 17048 _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' 125 . mM 17048 1 pH 7.0 . pH 17048 1 pressure 1 . atm 17048 1 temperature 300 . K 17048 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17048 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17048 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17048 _Software.ID 2 _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' . . 17048 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17048 2 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 17048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Traditional probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17048 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryo-probe _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 17048 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'Traditional probe' . . 17048 1 2 spectrometer_2 Bruker DRX . 600 Cryo-probe . . 17048 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 17048 _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 $AP180_M5_Sample_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17048 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $AP180_M5_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17048 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $AP180_M5_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17048 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $AP180_M5_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17048 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $AP180_M5_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17048 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chemical_Shift_Reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Chemical_Shift_Reference _Chem_shift_reference.Entry_ID 17048 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17048 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17048 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17048 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_AP180_M5_Backbone_Assigned_Chem_Shift_List _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode AP180_M5_Backbone_Assigned_Chem_Shift_List _Assigned_chem_shift_list.Entry_ID 17048 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $AP180_M5_Sample_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Chemical_Shift_Reference _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' . . . 17048 1 2 '3D HNCA' . . . 17048 1 3 '3D HNCACB' . . . 17048 1 4 '3D CBCA(CO)NH' . . . 17048 1 5 '3D HNCO' . . . 17048 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 ALA C C 13 176.52 0.1 . 1 . . . . 623 ALA C . 17048 1 2 . 1 1 1 1 ALA CA C 13 52.63 0.1 . 1 . . . . 623 ALA CA . 17048 1 3 . 1 1 1 1 ALA CB C 13 19.22 0.1 . 1 . . . . 623 ALA CB . 17048 1 4 . 1 1 2 2 SER C C 13 172.88 0.1 . 1 . . . . 624 SER C . 17048 1 5 . 1 1 2 2 SER CA C 13 55.73 0.1 . 1 . . . . 624 SER CA . 17048 1 6 . 1 1 2 2 SER CB C 13 64.39 0.1 . 1 . . . . 624 SER CB . 17048 1 7 . 1 1 3 3 THR C C 13 174.17 0.1 . 1 . . . . 625 THR C . 17048 1 8 . 1 1 3 3 THR CA C 13 61.76 0.1 . 1 . . . . 625 THR CA . 17048 1 9 . 1 1 3 3 THR CB C 13 69.65 0.1 . 1 . . . . 625 THR CB . 17048 1 10 . 1 1 4 4 ALA H H 1 8.21 0.05 . 1 . . . . 626 ALA H . 17048 1 11 . 1 1 4 4 ALA HA H 1 4.37 0.05 . 1 . . . . 626 ALA HA . 17048 1 12 . 1 1 4 4 ALA C C 13 177.38 0.1 . 1 . . . . 626 ALA C . 17048 1 13 . 1 1 4 4 ALA CA C 13 52.47 0.1 . 1 . . . . 626 ALA CA . 17048 1 14 . 1 1 4 4 ALA CB C 13 19.35 0.1 . 1 . . . . 626 ALA CB . 17048 1 15 . 1 1 4 4 ALA N N 15 126.39 0.2 . 1 . . . . 626 ALA N . 17048 1 16 . 1 1 5 5 SER H H 1 8.27 0.05 . 1 . . . . 627 SER H . 17048 1 17 . 1 1 5 5 SER HA H 1 4.73 0.05 . 1 . . . . 627 SER HA . 17048 1 18 . 1 1 5 5 SER CA C 13 56.50 0.1 . 1 . . . . 627 SER CA . 17048 1 19 . 1 1 5 5 SER CB C 13 63.46 0.1 . 1 . . . . 627 SER CB . 17048 1 20 . 1 1 5 5 SER N N 15 116.81 0.2 . 1 . . . . 627 SER N . 17048 1 21 . 1 1 6 6 PRO C C 13 174.25 0.1 . 1 . . . . 628 PRO C . 17048 1 22 . 1 1 6 6 PRO CA C 13 63.31 0.1 . 1 . . . . 628 PRO CA . 17048 1 23 . 1 1 6 6 PRO CB C 13 32.06 0.1 . 1 . . . . 628 PRO CB . 17048 1 24 . 1 1 7 7 ALA H H 1 8.31 0.05 . 1 . . . . 629 ALA H . 17048 1 25 . 1 1 7 7 ALA HA H 1 4.63 0.05 . 1 . . . . 629 ALA HA . 17048 1 26 . 1 1 7 7 ALA C C 13 177.70 0.1 . 1 . . . . 629 ALA C . 17048 1 27 . 1 1 7 7 ALA CA C 13 52.48 0.1 . 1 . . . . 629 ALA CA . 17048 1 28 . 1 1 7 7 ALA CB C 13 19.07 0.1 . 1 . . . . 629 ALA CB . 17048 1 29 . 1 1 7 7 ALA N N 15 124.32 0.2 . 1 . . . . 629 ALA N . 17048 1 30 . 1 1 8 8 LYS H H 1 8.23 0.05 . 1 . . . . 630 LYS H . 17048 1 31 . 1 1 8 8 LYS HA H 1 4.28 0.05 . 1 . . . . 630 LYS HA . 17048 1 32 . 1 1 8 8 LYS C C 13 176.25 0.1 . 1 . . . . 630 LYS C . 17048 1 33 . 1 1 8 8 LYS CA C 13 56.19 0.1 . 1 . . . . 630 LYS CA . 17048 1 34 . 1 1 8 8 LYS CB C 13 33.28 0.1 . 1 . . . . 630 LYS CB . 17048 1 35 . 1 1 8 8 LYS N N 15 120.89 0.2 . 1 . . . . 630 LYS N . 17048 1 36 . 1 1 9 9 ALA H H 1 8.35 0.05 . 1 . . . . 631 ALA H . 17048 1 37 . 1 1 9 9 ALA HA H 1 4.35 0.05 . 1 . . . . 631 ALA HA . 17048 1 38 . 1 1 9 9 ALA C C 13 177.78 0.1 . 1 . . . . 631 ALA C . 17048 1 39 . 1 1 9 9 ALA CA C 13 52.48 0.1 . 1 . . . . 631 ALA CA . 17048 1 40 . 1 1 9 9 ALA CB C 13 19.07 0.1 . 1 . . . . 631 ALA CB . 17048 1 41 . 1 1 9 9 ALA N N 15 125.87 0.2 . 1 . . . . 631 ALA N . 17048 1 42 . 1 1 10 10 GLU H H 1 8.45 0.05 . 1 . . . . 632 GLU H . 17048 1 43 . 1 1 10 10 GLU HA H 1 4.29 0.05 . 1 . . . . 632 GLU HA . 17048 1 44 . 1 1 10 10 GLU C C 13 176.70 0.1 . 1 . . . . 632 GLU C . 17048 1 45 . 1 1 10 10 GLU CA C 13 56.81 0.1 . 1 . . . . 632 GLU CA . 17048 1 46 . 1 1 10 10 GLU CB C 13 30.20 0.1 . 1 . . . . 632 GLU CB . 17048 1 47 . 1 1 10 10 GLU N N 15 120.51 0.2 . 1 . . . . 632 GLU N . 17048 1 48 . 1 1 11 11 SER H H 1 8.32 0.05 . 1 . . . . 633 SER H . 17048 1 49 . 1 1 11 11 SER CA C 13 58.36 0.1 . 1 . . . . 633 SER CA . 17048 1 50 . 1 1 11 11 SER CB C 13 63.93 0.1 . 1 . . . . 633 SER CB . 17048 1 51 . 1 1 11 11 SER N N 15 116.63 0.2 . 1 . . . . 633 SER N . 17048 1 52 . 1 1 12 12 SER C C 13 174.97 0.1 . 1 . . . . 634 SER C . 17048 1 53 . 1 1 12 12 SER CA C 13 58.67 0.1 . 1 . . . . 634 SER CA . 17048 1 54 . 1 1 12 12 SER CB C 13 63.93 0.1 . 1 . . . . 634 SER CB . 17048 1 55 . 1 1 13 13 GLY H H 1 8.40 0.05 . 1 . . . . 635 GLY H . 17048 1 56 . 1 1 13 13 GLY HA2 H 1 3.94 0.05 . 1 . . . . 635 GLY HA2 . 17048 1 57 . 1 1 13 13 GLY HA3 H 1 3.94 0.05 . 1 . . . . 635 GLY HA3 . 17048 1 58 . 1 1 13 13 GLY C C 13 173.86 0.1 . 1 . . . . 635 GLY C . 17048 1 59 . 1 1 13 13 GLY CA C 13 45.67 0.1 . 1 . . . . 635 GLY CA . 17048 1 60 . 1 1 13 13 GLY N N 15 110.92 0.2 . 1 . . . . 635 GLY N . 17048 1 61 . 1 1 14 14 VAL H H 1 7.95 0.05 . 1 . . . . 636 VAL H . 17048 1 62 . 1 1 14 14 VAL HA H 1 4.13 0.05 . 1 . . . . 636 VAL HA . 17048 1 63 . 1 1 14 14 VAL C C 13 176.13 0.1 . 1 . . . . 636 VAL C . 17048 1 64 . 1 1 14 14 VAL CA C 13 62.53 0.1 . 1 . . . . 636 VAL CA . 17048 1 65 . 1 1 14 14 VAL CB C 13 32.84 0.1 . 1 . . . . 636 VAL CB . 17048 1 66 . 1 1 14 14 VAL N N 15 119.73 0.2 . 1 . . . . 636 VAL N . 17048 1 67 . 1 1 15 15 ILE H H 1 8.16 0.05 . 1 . . . . 637 ILE H . 17048 1 68 . 1 1 15 15 ILE HA H 1 4.17 0.05 . 1 . . . . 637 ILE HA . 17048 1 69 . 1 1 15 15 ILE C C 13 175.62 0.1 . 1 . . . . 637 ILE C . 17048 1 70 . 1 1 15 15 ILE CA C 13 61.14 0.1 . 1 . . . . 637 ILE CA . 17048 1 71 . 1 1 15 15 ILE CB C 13 39.02 0.1 . 1 . . . . 637 ILE CB . 17048 1 72 . 1 1 15 15 ILE N N 15 124.64 0.2 . 1 . . . . 637 ILE N . 17048 1 73 . 1 1 16 16 ASP H H 1 8.33 0.05 . 1 . . . . 638 ASP H . 17048 1 74 . 1 1 16 16 ASP HA H 1 4.59 0.05 . 1 . . . . 638 ASP HA . 17048 1 75 . 1 1 16 16 ASP C C 13 176.00 0.1 . 1 . . . . 638 ASP C . 17048 1 76 . 1 1 16 16 ASP CA C 13 54.18 0.1 . 1 . . . . 638 ASP CA . 17048 1 77 . 1 1 16 16 ASP CB C 13 41.31 0.1 . 1 . . . . 638 ASP CB . 17048 1 78 . 1 1 16 16 ASP N N 15 124.82 0.2 . 1 . . . . 638 ASP N . 17048 1 79 . 1 1 17 17 LEU H H 1 8.10 0.05 . 1 . . . . 639 LEU H . 17048 1 80 . 1 1 17 17 LEU HA H 1 4.16 0.05 . 1 . . . . 639 LEU HA . 17048 1 81 . 1 1 17 17 LEU C C 13 177.22 0.1 . 1 . . . . 639 LEU C . 17048 1 82 . 1 1 17 17 LEU CA C 13 55.73 0.1 . 1 . . . . 639 LEU CA . 17048 1 83 . 1 1 17 17 LEU CB C 13 42.26 0.1 . 1 . . . . 639 LEU CB . 17048 1 84 . 1 1 17 17 LEU N N 15 123.25 0.2 . 1 . . . . 639 LEU N . 17048 1 85 . 1 1 18 18 PHE H H 1 8.21 0.05 . 1 . . . . 640 PHE H . 17048 1 86 . 1 1 18 18 PHE HA H 1 4.64 0.05 . 1 . . . . 640 PHE HA . 17048 1 87 . 1 1 18 18 PHE C C 13 176.42 0.1 . 1 . . . . 640 PHE C . 17048 1 88 . 1 1 18 18 PHE CA C 13 57.89 0.1 . 1 . . . . 640 PHE CA . 17048 1 89 . 1 1 18 18 PHE CB C 13 39.64 0.1 . 1 . . . . 640 PHE CB . 17048 1 90 . 1 1 18 18 PHE N N 15 119.34 0.2 . 1 . . . . 640 PHE N . 17048 1 91 . 1 1 19 19 GLY H H 1 8.17 0.05 . 1 . . . . 641 GLY H . 17048 1 92 . 1 1 19 19 GLY HA2 H 1 3.93 0.05 . 1 . . . . 641 GLY HA2 . 17048 1 93 . 1 1 19 19 GLY HA3 H 1 3.93 0.05 . 1 . . . . 641 GLY HA3 . 17048 1 94 . 1 1 19 19 GLY C C 13 173.99 0.1 . 1 . . . . 641 GLY C . 17048 1 95 . 1 1 19 19 GLY CA C 13 45.69 0.1 . 1 . . . . 641 GLY CA . 17048 1 96 . 1 1 19 19 GLY N N 15 109.83 0.2 . 1 . . . . 641 GLY N . 17048 1 97 . 1 1 20 20 ASP H H 1 8.22 0.05 . 1 . . . . 642 ASP H . 17048 1 98 . 1 1 20 20 ASP HA H 1 4.58 0.05 . 1 . . . . 642 ASP HA . 17048 1 99 . 1 1 20 20 ASP C C 13 176.39 0.1 . 1 . . . . 642 ASP C . 17048 1 100 . 1 1 20 20 ASP CA C 13 54.49 0.1 . 1 . . . . 642 ASP CA . 17048 1 101 . 1 1 20 20 ASP CB C 13 41.50 0.1 . 1 . . . . 642 ASP CB . 17048 1 102 . 1 1 20 20 ASP N N 15 120.71 0.2 . 1 . . . . 642 ASP N . 17048 1 103 . 1 1 21 21 ALA H H 1 8.21 0.05 . 1 . . . . 643 ALA H . 17048 1 104 . 1 1 21 21 ALA HA H 1 4.23 0.05 . 1 . . . . 643 ALA HA . 17048 1 105 . 1 1 21 21 ALA C C 13 177.77 0.1 . 1 . . . . 643 ALA C . 17048 1 106 . 1 1 21 21 ALA CA C 13 52.94 0.1 . 1 . . . . 643 ALA CA . 17048 1 107 . 1 1 21 21 ALA CB C 13 18.76 0.1 . 1 . . . . 643 ALA CB . 17048 1 108 . 1 1 21 21 ALA N N 15 123.84 0.2 . 1 . . . . 643 ALA N . 17048 1 109 . 1 1 22 22 PHE H H 1 8.16 0.05 . 1 . . . . 644 PHE H . 17048 1 110 . 1 1 22 22 PHE HA H 1 4.57 0.05 . 1 . . . . 644 PHE HA . 17048 1 111 . 1 1 22 22 PHE C C 13 176.60 0.1 . 1 . . . . 644 PHE C . 17048 1 112 . 1 1 22 22 PHE CA C 13 58.20 0.1 . 1 . . . . 644 PHE CA . 17048 1 113 . 1 1 22 22 PHE CB C 13 39.49 0.1 . 1 . . . . 644 PHE CB . 17048 1 114 . 1 1 22 22 PHE N N 15 118.60 0.2 . 1 . . . . 644 PHE N . 17048 1 115 . 1 1 23 23 GLY H H 1 8.20 0.05 . 1 . . . . 645 GLY H . 17048 1 116 . 1 1 23 23 GLY HA2 H 1 3.95 0.05 . 1 . . . . 645 GLY HA2 . 17048 1 117 . 1 1 23 23 GLY HA3 H 1 3.95 0.05 . 1 . . . . 645 GLY HA2 . 17048 1 118 . 1 1 23 23 GLY C C 13 174.41 0.1 . 1 . . . . 645 GLY C . 17048 1 119 . 1 1 23 23 GLY CA C 13 45.67 0.1 . 1 . . . . 645 GLY CA . 17048 1 120 . 1 1 23 23 GLY N N 15 110.34 0.2 . 1 . . . . 645 GLY N . 17048 1 121 . 1 1 24 24 SER H H 1 8.27 0.05 . 1 . . . . 646 SER H . 17048 1 122 . 1 1 24 24 SER HA H 1 4.45 0.05 . 1 . . . . 646 SER HA . 17048 1 123 . 1 1 24 24 SER C C 13 175.25 0.1 . 1 . . . . 646 SER C . 17048 1 124 . 1 1 24 24 SER CA C 13 58.82 0.1 . 1 . . . . 646 SER CA . 17048 1 125 . 1 1 24 24 SER CB C 13 64.08 0.1 . 1 . . . . 646 SER CB . 17048 1 126 . 1 1 24 24 SER N N 15 115.86 0.2 . 1 . . . . 646 SER N . 17048 1 127 . 1 1 25 25 GLY H H 1 8.49 0.05 . 1 . . . . 647 GLY H . 17048 1 128 . 1 1 25 25 GLY HA2 H 1 3.94 0.05 . 1 . . . . 647 GLY HA2 . 17048 1 129 . 1 1 25 25 GLY C C 13 173.98 0.1 . 1 . . . . 647 GLY C . 17048 1 130 . 1 1 25 25 GLY CA C 13 45.52 0.1 . 1 . . . . 647 GLY CA . 17048 1 131 . 1 1 25 25 GLY N N 15 111.12 0.2 . 1 . . . . 647 GLY N . 17048 1 132 . 1 1 26 26 ALA H H 1 8.11 0.05 . 1 . . . . 648 ALA H . 17048 1 133 . 1 1 26 26 ALA HA H 1 4.37 0.05 . 1 . . . . 648 ALA HA . 17048 1 134 . 1 1 26 26 ALA C C 13 177.84 0.1 . 1 . . . . 648 ALA C . 17048 1 135 . 1 1 26 26 ALA CA C 13 52.48 0.1 . 1 . . . . 648 ALA CA . 17048 1 136 . 1 1 26 26 ALA CB C 13 19.20 0.1 . 1 . . . . 648 ALA CB . 17048 1 137 . 1 1 26 26 ALA N N 15 123.88 0.2 . 1 . . . . 648 ALA N . 17048 1 138 . 1 1 27 27 SER H H 1 8.29 0.05 . 1 . . . . 649 SER H . 17048 1 139 . 1 1 27 27 SER HA H 1 4.43 0.05 . 1 . . . . 649 SER HA . 17048 1 140 . 1 1 27 27 SER C C 13 174.68 0.1 . 1 . . . . 649 SER C . 17048 1 141 . 1 1 27 27 SER CA C 13 58.67 0.1 . 1 . . . . 649 SER CA . 17048 1 142 . 1 1 27 27 SER CB C 13 63.93 0.1 . 1 . . . . 649 SER CB . 17048 1 143 . 1 1 27 27 SER N N 15 115.12 0.2 . 1 . . . . 649 SER N . 17048 1 144 . 1 1 28 28 GLU H H 1 8.45 0.05 . 1 . . . . 650 GLU H . 17048 1 145 . 1 1 28 28 GLU HA H 1 4.36 0.05 . 1 . . . . 650 GLU HA . 17048 1 146 . 1 1 28 28 GLU C C 13 176.64 0.1 . 1 . . . . 650 GLU C . 17048 1 147 . 1 1 28 28 GLU CA C 13 56.97 0.1 . 1 . . . . 650 GLU CA . 17048 1 148 . 1 1 28 28 GLU CB C 13 30.36 0.1 . 1 . . . . 650 GLU CB . 17048 1 149 . 1 1 28 28 GLU N N 15 122.69 0.2 . 1 . . . . 650 GLU N . 17048 1 150 . 1 1 29 29 THR H H 1 8.16 0.05 . 1 . . . . 651 THR H . 17048 1 151 . 1 1 29 29 THR HA H 1 4.34 0.05 . 1 . . . . 651 THR HA . 17048 1 152 . 1 1 29 29 THR CA C 13 61.91 0.1 . 1 . . . . 651 THR CA . 17048 1 153 . 1 1 29 29 THR CB C 13 69.96 0.1 . 1 . . . . 651 THR CB . 17048 1 154 . 1 1 29 29 THR N N 15 115.09 0.2 . 1 . . . . 651 THR N . 17048 1 155 . 1 1 30 30 GLN H H 1 8.32 0.05 . 1 . . . . 652 GLN H . 17048 1 156 . 1 1 30 30 GLN HA H 1 4.63 0.05 . 1 . . . . 652 GLN HA . 17048 1 157 . 1 1 30 30 GLN C C 13 177.67 0.1 . 1 . . . . 652 GLN C . 17048 1 158 . 1 1 30 30 GLN CA C 13 53.72 0.1 . 1 . . . . 652 GLN CA . 17048 1 159 . 1 1 30 30 GLN CB C 13 28.97 0.1 . 1 . . . . 652 GLN CB . 17048 1 160 . 1 1 30 30 GLN N N 15 124.06 0.2 . 1 . . . . 652 GLN N . 17048 1 161 . 1 1 31 31 PRO C C 13 176.22 0.1 . 1 . . . . 653 PRO C . 17048 1 162 . 1 1 31 31 PRO CA C 13 62.53 0.1 . 1 . . . . 653 PRO CA . 17048 1 163 . 1 1 31 31 PRO CB C 13 34.23 0.1 . 1 . . . . 653 PRO CB . 17048 1 164 . 1 1 32 32 ALA H H 1 8.39 0.05 . 1 . . . . 654 ALA H . 17048 1 165 . 1 1 32 32 ALA HA H 1 4.57 0.05 . 1 . . . . 654 ALA HA . 17048 1 166 . 1 1 32 32 ALA CA C 13 50.78 0.1 . 1 . . . . 654 ALA CA . 17048 1 167 . 1 1 32 32 ALA CB C 13 17.98 0.1 . 1 . . . . 654 ALA CB . 17048 1 168 . 1 1 32 32 ALA N N 15 125.81 0.2 . 1 . . . . 654 ALA N . 17048 1 169 . 1 1 33 33 PRO C C 13 176.99 0.1 . 1 . . . . 655 PRO C . 17048 1 170 . 1 1 33 33 PRO CA C 13 63.31 0.1 . 1 . . . . 655 PRO CA . 17048 1 171 . 1 1 33 33 PRO CB C 13 32.06 0.1 . 1 . . . . 655 PRO CB . 17048 1 172 . 1 1 34 34 GLN H H 1 8.41 0.05 . 1 . . . . 656 GLN H . 17048 1 173 . 1 1 34 34 GLN HA H 1 4.28 0.05 . 1 . . . . 656 GLN HA . 17048 1 174 . 1 1 34 34 GLN CA C 13 55.88 0.1 . 1 . . . . 656 GLN CA . 17048 1 175 . 1 1 34 34 GLN CB C 13 29.74 0.1 . 1 . . . . 656 GLN CB . 17048 1 176 . 1 1 34 34 GLN N N 15 120.39 0.2 . 1 . . . . 656 GLN N . 17048 1 177 . 1 1 35 35 ALA H H 1 8.33 0.05 . 1 . . . . 657 ALA H . 17048 1 178 . 1 1 35 35 ALA HA H 1 4.34 0.05 . 1 . . . . 657 ALA HA . 17048 1 179 . 1 1 35 35 ALA C C 13 177.67 0.1 . 1 . . . . 657 ALA C . 17048 1 180 . 1 1 35 35 ALA CA C 13 52.63 0.1 . 1 . . . . 657 ALA CA . 17048 1 181 . 1 1 35 35 ALA CB C 13 19.07 0.1 . 1 . . . . 657 ALA CB . 17048 1 182 . 1 1 35 35 ALA N N 15 125.83 0.2 . 1 . . . . 657 ALA N . 17048 1 183 . 1 1 36 36 VAL H H 1 8.13 0.05 . 1 . . . . 658 VAL H . 17048 1 184 . 1 1 36 36 VAL HA H 1 4.16 0.05 . 1 . . . . 658 VAL HA . 17048 1 185 . 1 1 36 36 VAL C C 13 176.31 0.1 . 1 . . . . 658 VAL C . 17048 1 186 . 1 1 36 36 VAL CA C 13 62.23 0.1 . 1 . . . . 658 VAL CA . 17048 1 187 . 1 1 36 36 VAL CB C 13 33.14 0.1 . 1 . . . . 658 VAL CB . 17048 1 188 . 1 1 36 36 VAL N N 15 119.45 0.2 . 1 . . . . 658 VAL N . 17048 1 189 . 1 1 37 37 SER H H 1 8.40 0.05 . 1 . . . . 659 SER H . 17048 1 190 . 1 1 37 37 SER CA C 13 58.20 0.1 . 1 . . . . 659 SER CA . 17048 1 191 . 1 1 37 37 SER CB C 13 64.08 0.1 . 1 . . . . 659 SER CB . 17048 1 192 . 1 1 37 37 SER N N 15 119.49 0.2 . 1 . . . . 659 SER N . 17048 1 193 . 1 1 41 41 ALA C C 13 177.90 0.1 . 1 . . . . 663 ALA C . 17048 1 194 . 1 1 41 41 ALA CA C 13 52.79 0.1 . 1 . . . . 663 ALA CA . 17048 1 195 . 1 1 41 41 ALA CB C 13 19.22 0.1 . 1 . . . . 663 ALA CB . 17048 1 196 . 1 1 42 42 SER H H 1 8.16 0.05 . 1 . . . . 664 SER H . 17048 1 197 . 1 1 42 42 SER HA H 1 4.40 0.05 . 1 . . . . 664 SER HA . 17048 1 198 . 1 1 42 42 SER C C 13 174.77 0.1 . 1 . . . . 664 SER C . 17048 1 199 . 1 1 42 42 SER CA C 13 58.82 0.1 . 1 . . . . 664 SER CA . 17048 1 200 . 1 1 42 42 SER CB C 13 63.93 0.1 . 1 . . . . 664 SER CB . 17048 1 201 . 1 1 42 42 SER N N 15 114.84 0.2 . 1 . . . . 664 SER N . 17048 1 202 . 1 1 43 43 ALA H H 1 8.28 0.05 . 1 . . . . 665 ALA H . 17048 1 203 . 1 1 43 43 ALA HA H 1 4.25 0.05 . 1 . . . . 665 ALA HA . 17048 1 204 . 1 1 43 43 ALA C C 13 177.90 0.1 . 1 . . . . 665 ALA C . 17048 1 205 . 1 1 43 43 ALA CA C 13 53.25 0.1 . 1 . . . . 665 ALA CA . 17048 1 206 . 1 1 43 43 ALA CB C 13 18.91 0.1 . 1 . . . . 665 ALA CB . 17048 1 207 . 1 1 43 43 ALA N N 15 125.99 0.2 . 1 . . . . 665 ALA N . 17048 1 208 . 1 1 44 44 ASP H H 1 8.19 0.05 . 1 . . . . 666 ASP H . 17048 1 209 . 1 1 44 44 ASP HA H 1 4.52 0.05 . 1 . . . . 666 ASP HA . 17048 1 210 . 1 1 44 44 ASP CA C 13 54.95 0.1 . 1 . . . . 666 ASP CA . 17048 1 211 . 1 1 44 44 ASP CB C 13 41.03 0.1 . 1 . . . . 666 ASP CB . 17048 1 212 . 1 1 44 44 ASP N N 15 118.81 0.2 . 1 . . . . 666 ASP N . 17048 1 213 . 1 1 45 45 LEU H H 1 7.99 0.05 . 1 . . . . 667 LEU H . 17048 1 214 . 1 1 45 45 LEU HA H 1 4.25 0.05 . 1 . . . . 667 LEU HA . 17048 1 215 . 1 1 45 45 LEU C C 13 177.93 0.1 . 1 . . . . 667 LEU C . 17048 1 216 . 1 1 45 45 LEU CA C 13 56.04 0.1 . 1 . . . . 667 LEU CA . 17048 1 217 . 1 1 45 45 LEU CB C 13 42.27 0.1 . 1 . . . . 667 LEU CB . 17048 1 218 . 1 1 45 45 LEU N N 15 122.30 0.2 . 1 . . . . 667 LEU N . 17048 1 219 . 1 1 46 46 LEU H H 1 8.05 0.05 . 1 . . . . 668 LEU H . 17048 1 220 . 1 1 46 46 LEU HA H 1 4.29 0.05 . 1 . . . . 668 LEU HA . 17048 1 221 . 1 1 46 46 LEU C C 13 177.52 0.1 . 1 . . . . 668 LEU C . 17048 1 222 . 1 1 46 46 LEU CA C 13 55.88 0.1 . 1 . . . . 668 LEU CA . 17048 1 223 . 1 1 46 46 LEU CB C 13 42.12 0.1 . 1 . . . . 668 LEU CB . 17048 1 224 . 1 1 46 46 LEU N N 15 121.12 0.2 . 1 . . . . 668 LEU N . 17048 1 225 . 1 1 47 47 ALA H H 1 7.95 0.05 . 1 . . . . 669 ALA H . 17048 1 226 . 1 1 47 47 ALA HA H 1 4.24 0.05 . 1 . . . . 669 ALA HA . 17048 1 227 . 1 1 47 47 ALA C C 13 178.27 0.1 . 1 . . . . 669 ALA C . 17048 1 228 . 1 1 47 47 ALA CA C 13 53.10 0.1 . 1 . . . . 669 ALA CA . 17048 1 229 . 1 1 47 47 ALA CB C 13 18.91 0.1 . 1 . . . . 669 ALA CB . 17048 1 230 . 1 1 47 47 ALA N N 15 123.66 0.2 . 1 . . . . 669 ALA N . 17048 1 231 . 1 1 48 48 GLY H H 1 8.13 0.05 . 1 . . . . 670 GLY H . 17048 1 232 . 1 1 48 48 GLY HA2 H 1 3.85 0.05 . 1 . . . . 670 GLY HA2 . 17048 1 233 . 1 1 48 48 GLY HA3 H 1 3.85 0.05 . 1 . . . . 670 GLY HA3 . 17048 1 234 . 1 1 48 48 GLY C C 13 174.21 0.1 . 1 . . . . 670 GLY C . 17048 1 235 . 1 1 48 48 GLY CA C 13 45.36 0.1 . 1 . . . . 670 GLY CA . 17048 1 236 . 1 1 48 48 GLY N N 15 107.42 0.2 . 1 . . . . 670 GLY N . 17048 1 237 . 1 1 49 49 PHE H H 1 8.05 0.05 . 1 . . . . 671 PHE H . 17048 1 238 . 1 1 49 49 PHE HA H 1 4.62 0.05 . 1 . . . . 671 PHE HA . 17048 1 239 . 1 1 49 49 PHE C C 13 176.52 0.1 . 1 . . . . 671 PHE C . 17048 1 240 . 1 1 49 49 PHE CA C 13 58.05 0.1 . 1 . . . . 671 PHE CA . 17048 1 241 . 1 1 49 49 PHE CB C 13 39.64 0.1 . 1 . . . . 671 PHE CB . 17048 1 242 . 1 1 49 49 PHE N N 15 119.98 0.2 . 1 . . . . 671 PHE N . 17048 1 243 . 1 1 50 50 GLY H H 1 8.40 0.05 . 1 . . . . 672 GLY H . 17048 1 244 . 1 1 50 50 GLY HA2 H 1 3.93 0.05 . 1 . . . . 672 GLY HA2 . 17048 1 245 . 1 1 50 50 GLY HA3 H 1 3.93 0.05 . 1 . . . . 672 GLY HA3 . 17048 1 246 . 1 1 50 50 GLY C C 13 174.66 0.1 . 1 . . . . 672 GLY C . 17048 1 247 . 1 1 50 50 GLY CA C 13 45.50 0.1 . 1 . . . . 672 GLY CA . 17048 1 248 . 1 1 50 50 GLY N N 15 110.95 0.2 . 1 . . . . 672 GLY N . 17048 1 249 . 1 1 51 51 GLY H H 1 7.96 0.05 . 1 . . . . 673 GLY H . 17048 1 250 . 1 1 51 51 GLY HA2 H 1 3.94 0.05 . 1 . . . . 673 GLY HA2 . 17048 1 251 . 1 1 51 51 GLY HA3 H 1 3.94 0.05 . 1 . . . . 673 GLY HA3 . 17048 1 252 . 1 1 51 51 GLY C C 13 174.13 0.1 . 1 . . . . 673 GLY C . 17048 1 253 . 1 1 51 51 GLY CA C 13 45.45 0.1 . 1 . . . . 673 GLY CA . 17048 1 254 . 1 1 51 51 GLY N N 15 108.39 0.2 . 1 . . . . 673 GLY N . 17048 1 255 . 1 1 52 52 SER C C 13 174.10 0.1 . 1 . . . . 674 SER C . 17048 1 256 . 1 1 52 52 SER CA C 13 58.13 0.1 . 1 . . . . 674 SER CA . 17048 1 257 . 1 1 52 52 SER CB C 13 63.85 0.1 . 1 . . . . 674 SER CB . 17048 1 258 . 1 1 53 53 PHE H H 1 8.20 0.05 . 1 . . . . 675 PHE H . 17048 1 259 . 1 1 53 53 PHE HA H 1 4.64 0.05 . 1 . . . . 675 PHE HA . 17048 1 260 . 1 1 53 53 PHE C C 13 175.28 0.1 . 1 . . . . 675 PHE C . 17048 1 261 . 1 1 53 53 PHE CA C 13 58.13 0.1 . 1 . . . . 675 PHE CA . 17048 1 262 . 1 1 53 53 PHE CB C 13 39.72 0.1 . 1 . . . . 675 PHE CB . 17048 1 263 . 1 1 53 53 PHE N N 15 122.20 0.2 . 1 . . . . 675 PHE N . 17048 1 264 . 1 1 54 54 MET H H 1 8.06 0.05 . 1 . . . . 676 MET H . 17048 1 265 . 1 1 54 54 MET C C 13 174.90 0.1 . 1 . . . . 676 MET C . 17048 1 266 . 1 1 54 54 MET CA C 13 54.95 0.1 . 1 . . . . 676 MET CA . 17048 1 267 . 1 1 54 54 MET CB C 13 33.30 0.1 . 1 . . . . 676 MET CB . 17048 1 268 . 1 1 54 54 MET N N 15 122.42 0.2 . 1 . . . . 676 MET N . 17048 1 269 . 1 1 55 55 ALA H H 1 8.17 0.05 . 1 . . . . 677 ALA H . 17048 1 270 . 1 1 55 55 ALA C C 13 179.24 0.1 . 1 . . . . 677 ALA C . 17048 1 271 . 1 1 55 55 ALA CA C 13 50.62 0.1 . 1 . . . . 677 ALA CA . 17048 1 272 . 1 1 55 55 ALA CB C 13 18.14 0.1 . 1 . . . . 677 ALA CB . 17048 1 273 . 1 1 55 55 ALA N N 15 126.88 0.2 . 1 . . . . 677 ALA N . 17048 1 274 . 1 1 56 56 PRO C C 13 177.03 0.1 . 1 . . . . 678 PRO C . 17048 1 275 . 1 1 56 56 PRO CA C 13 63.08 0.1 . 1 . . . . 678 PRO CA . 17048 1 276 . 1 1 56 56 PRO CB C 13 31.98 0.1 . 1 . . . . 678 PRO CB . 17048 1 277 . 1 1 57 57 SER H H 1 8.45 0.05 . 1 . . . . 679 SER H . 17048 1 278 . 1 1 57 57 SER HA H 1 4.47 0.05 . 1 . . . . 679 SER HA . 17048 1 279 . 1 1 57 57 SER C C 13 175.09 0.1 . 1 . . . . 679 SER C . 17048 1 280 . 1 1 57 57 SER CA C 13 58.36 0.1 . 1 . . . . 679 SER CA . 17048 1 281 . 1 1 57 57 SER CB C 13 63.93 0.1 . 1 . . . . 679 SER CB . 17048 1 282 . 1 1 57 57 SER N N 15 116.19 0.2 . 1 . . . . 679 SER N . 17048 1 283 . 1 1 58 58 THR H H 1 8.16 0.05 . 1 . . . . 680 THR H . 17048 1 284 . 1 1 58 58 THR HA H 1 4.33 0.05 . 1 . . . . 680 THR HA . 17048 1 285 . 1 1 58 58 THR C C 13 174.46 0.1 . 1 . . . . 680 THR C . 17048 1 286 . 1 1 58 58 THR CA C 13 62.23 0.1 . 1 . . . . 680 THR CA . 17048 1 287 . 1 1 58 58 THR CB C 13 69.96 0.1 . 1 . . . . 680 THR CB . 17048 1 288 . 1 1 58 58 THR N N 15 115.64 0.2 . 1 . . . . 680 THR N . 17048 1 stop_ save_