data_16259 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16259 _Entry.Title ; Beta7 Integrin Cytoplasmic Tail 1H and 15N Chemical Shift Assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-17 _Entry.Accession_date 2009-04-17 _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 ; 1H and 15N chemical shift assignments at pH 4.5 and backbone 1H and 15N chemical shift assignments at pH 6.1 for the cytoplasmic tail of the beta7 integrin. ; _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 Massimiliano Memo . . . 16259 2 Nicholas Anthis . J. . 16259 3 Iain Campbell . D. . 16259 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16259 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 99 16259 '1H chemical shifts' 39 16259 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-01-21 2009-04-17 update BMRB 'complete entry citation' 16259 1 . . 2009-12-11 2009-04-17 original author 'original release' 16259 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15552 'Assigments of related molecules.' 16259 BMRB 16158 'Assigments of related molecules.' 16259 BMRB 16159 'Assigments of related molecules.' 16259 BMRB 16162 'Assigments of related molecules.' 16259 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16259 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19843520 _Citation.Full_citation . _Citation.Title 'Beta integrin tyrosine phosphorylation is a conserved mechanism for regulating talin-induced integrin activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 284 _Citation.Journal_issue 52 _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 36700 _Citation.Page_last 36710 _Citation.Year 2009 _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 Nicholas Anthis . J. . 16259 1 2 Jacob Haling . R. . 16259 1 3 Camilla Oxley . L. . 16259 1 4 Massimiliano Memo . . . 16259 1 5 Kate Wegener . L. . 16259 1 6 Chinten Lim . J. . 16259 1 7 Mark Ginsberg . H. . 16259 1 8 Iain Campbell . D. . 16259 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16259 _Assembly.ID 1 _Assembly.Name 'beta7 integrin tail' _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 6446 _Assembly.Enzyme_commission_number . _Assembly.Details 'beta7 integrin tail' _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 'beta7 integrain tail' 1 $beta7_integrin A . yes native no no . . . 16259 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta7_integrin _Entity.Sf_category entity _Entity.Sf_framecode beta7_integrin _Entity.Entry_ID 16259 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta7_integrin _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 ; GPRLSVEIYDRREYSRFEKE QQQLNWKQDSNPLYKSAITT TINPRFQEADSPTL ; _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'beta7 cytoplasmic tail' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6446 _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 PDB 2BRQ . "Crystal Structure Of The Filamin A Repeat 21 Complexed With The Integrin Beta7 Cytoplasmic Tail Peptide" . . . . . 57.41 31 100.00 100.00 1.26e-12 . . . . 16259 1 2 no DBJ BAG10580 . "integrin beta-7 precursor [synthetic construct]" . . . . . 96.30 798 100.00 100.00 1.12e-27 . . . . 16259 1 3 no DBJ BAH12742 . "unnamed protein product [Homo sapiens]" . . . . . 96.30 626 100.00 100.00 2.24e-28 . . . . 16259 1 4 no GB AAA36118 . "integrin beta 7 subunit [Homo sapiens]" . . . . . 96.30 798 100.00 100.00 1.12e-27 . . . . 16259 1 5 no GB AAA59184 . "integrin beta-7 subunit [Homo sapiens]" . . . . . 96.30 798 100.00 100.00 1.12e-27 . . . . 16259 1 6 no GB AAA59185 . "integrin beta-7 subunit [Homo sapiens]" . . . . . 96.30 798 100.00 100.00 1.12e-27 . . . . 16259 1 7 no GB AAB21332 . "integrin beta 7 subunit [Homo sapiens]" . . . . . 96.30 798 100.00 100.00 1.12e-27 . . . . 16259 1 8 no GB AAB23688 . "integrin beta 7 subunit [Homo sapiens]" . . . . . 96.30 798 100.00 100.00 1.12e-27 . . . . 16259 1 9 no REF NP_000880 . "integrin beta-7 precursor [Homo sapiens]" . . . . . 96.30 798 100.00 100.00 1.12e-27 . . . . 16259 1 10 no REF XP_001087864 . "PREDICTED: integrin beta-7 [Macaca mulatta]" . . . . . 96.30 673 98.08 98.08 1.75e-27 . . . . 16259 1 11 no REF XP_001141622 . "PREDICTED: integrin beta-7 [Pan troglodytes]" . . . . . 96.30 798 100.00 100.00 9.79e-28 . . . . 16259 1 12 no REF XP_003831078 . "PREDICTED: integrin beta-7 isoform X1 [Pan paniscus]" . . . . . 96.30 798 100.00 100.00 9.79e-28 . . . . 16259 1 13 no REF XP_004053261 . "PREDICTED: integrin beta-7 isoform 1 [Gorilla gorilla gorilla]" . . . . . 96.30 798 100.00 100.00 1.06e-27 . . . . 16259 1 14 no SP P26010 . "RecName: Full=Integrin beta-7; AltName: Full=Gut homing receptor beta subunit; Flags: Precursor" . . . . . 96.30 798 100.00 100.00 1.12e-27 . . . . 16259 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16259 1 2 . PRO . 16259 1 3 . ARG . 16259 1 4 . LEU . 16259 1 5 . SER . 16259 1 6 . VAL . 16259 1 7 . GLU . 16259 1 8 . ILE . 16259 1 9 . TYR . 16259 1 10 . ASP . 16259 1 11 . ARG . 16259 1 12 . ARG . 16259 1 13 . GLU . 16259 1 14 . TYR . 16259 1 15 . SER . 16259 1 16 . ARG . 16259 1 17 . PHE . 16259 1 18 . GLU . 16259 1 19 . LYS . 16259 1 20 . GLU . 16259 1 21 . GLN . 16259 1 22 . GLN . 16259 1 23 . GLN . 16259 1 24 . LEU . 16259 1 25 . ASN . 16259 1 26 . TRP . 16259 1 27 . LYS . 16259 1 28 . GLN . 16259 1 29 . ASP . 16259 1 30 . SER . 16259 1 31 . ASN . 16259 1 32 . PRO . 16259 1 33 . LEU . 16259 1 34 . TYR . 16259 1 35 . LYS . 16259 1 36 . SER . 16259 1 37 . ALA . 16259 1 38 . ILE . 16259 1 39 . THR . 16259 1 40 . THR . 16259 1 41 . THR . 16259 1 42 . ILE . 16259 1 43 . ASN . 16259 1 44 . PRO . 16259 1 45 . ARG . 16259 1 46 . PHE . 16259 1 47 . GLN . 16259 1 48 . GLU . 16259 1 49 . ALA . 16259 1 50 . ASP . 16259 1 51 . SER . 16259 1 52 . PRO . 16259 1 53 . THR . 16259 1 54 . LEU . 16259 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16259 1 . PRO 2 2 16259 1 . ARG 3 3 16259 1 . LEU 4 4 16259 1 . SER 5 5 16259 1 . VAL 6 6 16259 1 . GLU 7 7 16259 1 . ILE 8 8 16259 1 . TYR 9 9 16259 1 . ASP 10 10 16259 1 . ARG 11 11 16259 1 . ARG 12 12 16259 1 . GLU 13 13 16259 1 . TYR 14 14 16259 1 . SER 15 15 16259 1 . ARG 16 16 16259 1 . PHE 17 17 16259 1 . GLU 18 18 16259 1 . LYS 19 19 16259 1 . GLU 20 20 16259 1 . GLN 21 21 16259 1 . GLN 22 22 16259 1 . GLN 23 23 16259 1 . LEU 24 24 16259 1 . ASN 25 25 16259 1 . TRP 26 26 16259 1 . LYS 27 27 16259 1 . GLN 28 28 16259 1 . ASP 29 29 16259 1 . SER 30 30 16259 1 . ASN 31 31 16259 1 . PRO 32 32 16259 1 . LEU 33 33 16259 1 . TYR 34 34 16259 1 . LYS 35 35 16259 1 . SER 36 36 16259 1 . ALA 37 37 16259 1 . ILE 38 38 16259 1 . THR 39 39 16259 1 . THR 40 40 16259 1 . THR 41 41 16259 1 . ILE 42 42 16259 1 . ASN 43 43 16259 1 . PRO 44 44 16259 1 . ARG 45 45 16259 1 . PHE 46 46 16259 1 . GLN 47 47 16259 1 . GLU 48 48 16259 1 . ALA 49 49 16259 1 . ASP 50 50 16259 1 . SER 51 51 16259 1 . PRO 52 52 16259 1 . THR 53 53 16259 1 . LEU 54 54 16259 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 16259 _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 $beta7_integrin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . ITGB7 . . . . 16259 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 16259 _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 $beta7_integrin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET16b . . . . . . 16259 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_pH_6.1 _Sample.Sf_category sample _Sample.Sf_framecode pH_6.1 _Sample.Entry_ID 16259 _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 D2O [U-2H] . . . . . . 5 . . % . . . . 16259 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16259 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16259 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16259 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16259 1 6 'beta7 integrin' [U-15N] . . 1 $beta7_integrin . . 0.05 . . mM . . . . 16259 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16259 1 stop_ save_ save_pH_4.5 _Sample.Sf_category sample _Sample.Sf_framecode pH_4.5 _Sample.Entry_ID 16259 _Sample.ID 2 _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 D2O [U-2H] . . . . . . 5 . . % . . . . 16259 2 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16259 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16259 2 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16259 2 5 'beta7 integrin' [U-15N] . . 1 $beta7_integrin . . 0.2 . . mM . . . . 16259 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16259 2 stop_ save_ ####################### # Sample conditions # ####################### save_pH6.1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH6.1 _Sample_condition_list.Entry_ID 16259 _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' 200 . mM 16259 1 pH 6.1 . pH 16259 1 pressure 1 . atm 16259 1 temperature 298 . K 16259 1 stop_ save_ save_pH4.5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH4.5 _Sample_condition_list.Entry_ID 16259 _Sample_condition_list.ID 2 _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' 10 . mM 16259 2 pH 4.5 . pH 16259 2 pressure 1 . atm 16259 2 temperature 298 . K 16259 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16259 _Software.ID 1 _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' . . 16259 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16259 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16259 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16259 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16259 2 stop_ save_ save_Omega_Spectrometer_Operating_Software _Software.Sf_category software _Software.Sf_framecode Omega_Spectrometer_Operating_Software _Software.Entry_ID 16259 _Software.ID 3 _Software.Name 'Omega Spectrometer Operating Software' _Software.Version 'Beta 6.0.3b2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GE . . 16259 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16259 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 16259 _Software.ID 4 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Boucher and Stevens' . . 16259 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16259 4 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 16259 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer GE _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16259 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer GE _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 16259 _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 GE OMEGA . 600 . . . 16259 1 2 spectrometer_2 GE OMEGA . 950 . . . 16259 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 16259 _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 $pH_6.1 isotropic . . 1 $pH6.1 . . . . . . . . . . . . . . . . . . . . . 16259 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $pH_4.5 isotropic . . 2 $pH4.5 . . . . . . . . . . . . . . . . . . . . . 16259 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $pH_4.5 isotropic . . 2 $pH4.5 . . . . . . . . . . . . . . . . . . . . . 16259 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $pH_4.5 isotropic . . 2 $pH4.5 . . . . . . . . . . . . . . . . . . . . . 16259 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 16259 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16259 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16259 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_pH-4.5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode pH-4.5 _Assigned_chem_shift_list.Entry_ID 16259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $pH4.5 _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 2 '3D 1H-15N NOESY' . . . 16259 1 3 '3D 1H-15N TOCSY' . . . 16259 1 4 '2D 1H-15N HSQC' . . . 16259 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 2 2 PRO HA H 1 4.475 0.000 . 1 . . . . 746 PRO HA . 16259 1 2 . 1 1 3 3 ARG H H 1 8.516 0.002 . 1 . . . . 747 ARG H . 16259 1 3 . 1 1 3 3 ARG HA H 1 4.322 0.002 . 1 . . . . 747 ARG HA . 16259 1 4 . 1 1 3 3 ARG HB2 H 1 1.787 0.000 . 1 . . . . 747 ARG HB2 . 16259 1 5 . 1 1 3 3 ARG HB3 H 1 1.798 0.011 . 1 . . . . 747 ARG HB3 . 16259 1 6 . 1 1 3 3 ARG HD2 H 1 3.209 0.000 . 1 . . . . 747 ARG HD2 . 16259 1 7 . 1 1 3 3 ARG HD3 H 1 3.209 0.000 . 1 . . . . 747 ARG HD3 . 16259 1 8 . 1 1 3 3 ARG HG2 H 1 1.657 0.000 . 1 . . . . 747 ARG HG2 . 16259 1 9 . 1 1 3 3 ARG HG3 H 1 1.657 0.000 . 1 . . . . 747 ARG HG3 . 16259 1 10 . 1 1 3 3 ARG N N 15 121.951 0.021 . 1 . . . . 747 ARG N . 16259 1 11 . 1 1 4 4 LEU H H 1 8.398 0.003 . 1 . . . . 748 LEU H . 16259 1 12 . 1 1 4 4 LEU HA H 1 4.399 0.000 . 1 . . . . 748 LEU HA . 16259 1 13 . 1 1 4 4 LEU HB2 H 1 1.629 0.000 . 1 . . . . 748 LEU HB2 . 16259 1 14 . 1 1 4 4 LEU HB3 H 1 1.614 0.015 . 1 . . . . 748 LEU HB3 . 16259 1 15 . 1 1 4 4 LEU HD11 H 1 0.873 0.000 . 1 . . . . 748 LEU HD11 . 16259 1 16 . 1 1 4 4 LEU HD12 H 1 0.873 0.000 . 1 . . . . 748 LEU HD12 . 16259 1 17 . 1 1 4 4 LEU HD13 H 1 0.873 0.000 . 1 . . . . 748 LEU HD13 . 16259 1 18 . 1 1 4 4 LEU HD21 H 1 0.873 0.000 . 1 . . . . 748 LEU HD21 . 16259 1 19 . 1 1 4 4 LEU HD22 H 1 0.873 0.000 . 1 . . . . 748 LEU HD22 . 16259 1 20 . 1 1 4 4 LEU HD23 H 1 0.873 0.000 . 1 . . . . 748 LEU HD23 . 16259 1 21 . 1 1 4 4 LEU HG H 1 1.609 0.000 . 1 . . . . 748 LEU HG . 16259 1 22 . 1 1 4 4 LEU N N 15 124.689 0.018 . 1 . . . . 748 LEU N . 16259 1 23 . 1 1 5 5 SER H H 1 8.338 0.002 . 1 . . . . 749 SER H . 16259 1 24 . 1 1 5 5 SER HA H 1 4.468 0.001 . 1 . . . . 749 SER HA . 16259 1 25 . 1 1 5 5 SER HB2 H 1 3.860 0.000 . 1 . . . . 749 SER HB2 . 16259 1 26 . 1 1 5 5 SER HB3 H 1 3.860 0.001 . 1 . . . . 749 SER HB3 . 16259 1 27 . 1 1 5 5 SER N N 15 117.161 0.014 . 1 . . . . 749 SER N . 16259 1 28 . 1 1 6 6 VAL H H 1 8.076 0.003 . 1 . . . . 750 VAL H . 16259 1 29 . 1 1 6 6 VAL HA H 1 4.146 0.000 . 1 . . . . 750 VAL HA . 16259 1 30 . 1 1 6 6 VAL HB H 1 2.090 0.002 . 1 . . . . 750 VAL HB . 16259 1 31 . 1 1 6 6 VAL HG11 H 1 0.916 0.000 . 1 . . . . 750 VAL HG11 . 16259 1 32 . 1 1 6 6 VAL HG12 H 1 0.916 0.000 . 1 . . . . 750 VAL HG12 . 16259 1 33 . 1 1 6 6 VAL HG13 H 1 0.916 0.000 . 1 . . . . 750 VAL HG13 . 16259 1 34 . 1 1 6 6 VAL HG21 H 1 0.916 0.000 . 1 . . . . 750 VAL HG21 . 16259 1 35 . 1 1 6 6 VAL HG22 H 1 0.916 0.000 . 1 . . . . 750 VAL HG22 . 16259 1 36 . 1 1 6 6 VAL HG23 H 1 0.916 0.000 . 1 . . . . 750 VAL HG23 . 16259 1 37 . 1 1 6 6 VAL N N 15 121.051 0.022 . 1 . . . . 750 VAL N . 16259 1 38 . 1 1 7 7 GLU H H 1 8.386 0.002 . 1 . . . . 751 GLU H . 16259 1 39 . 1 1 7 7 GLU HA H 1 4.282 0.001 . 1 . . . . 751 GLU HA . 16259 1 40 . 1 1 7 7 GLU HB2 H 1 1.890 0.000 . 1 . . . . 751 GLU HB2 . 16259 1 41 . 1 1 7 7 GLU HB3 H 1 1.900 0.010 . 1 . . . . 751 GLU HB3 . 16259 1 42 . 1 1 7 7 GLU HG2 H 1 2.245 0.001 . 1 . . . . 751 GLU HG2 . 16259 1 43 . 1 1 7 7 GLU HG3 H 1 2.244 0.000 . 1 . . . . 751 GLU HG3 . 16259 1 44 . 1 1 7 7 GLU N N 15 124.078 0.024 . 1 . . . . 751 GLU N . 16259 1 45 . 1 1 8 8 ILE H H 1 8.056 0.001 . 1 . . . . 752 ILE H . 16259 1 46 . 1 1 8 8 ILE HA H 1 4.065 0.000 . 1 . . . . 752 ILE HA . 16259 1 47 . 1 1 8 8 ILE HB H 1 1.763 0.000 . 1 . . . . 752 ILE HB . 16259 1 48 . 1 1 8 8 ILE HG12 H 1 1.089 0.000 . 2 . . . . 752 ILE HG12 . 16259 1 49 . 1 1 8 8 ILE HG13 H 1 1.319 0.001 . 2 . . . . 752 ILE HG13 . 16259 1 50 . 1 1 8 8 ILE HG21 H 1 0.787 0.002 . 1 . . . . 752 ILE HG21 . 16259 1 51 . 1 1 8 8 ILE HG22 H 1 0.787 0.002 . 1 . . . . 752 ILE HG22 . 16259 1 52 . 1 1 8 8 ILE HG23 H 1 0.787 0.002 . 1 . . . . 752 ILE HG23 . 16259 1 53 . 1 1 8 8 ILE N N 15 121.458 0.028 . 1 . . . . 752 ILE N . 16259 1 54 . 1 1 9 9 TYR H H 1 8.096 0.002 . 1 . . . . 753 TYR H . 16259 1 55 . 1 1 9 9 TYR HA H 1 4.573 0.002 . 1 . . . . 753 TYR HA . 16259 1 56 . 1 1 9 9 TYR HB2 H 1 2.902 0.001 . 2 . . . . 753 TYR HB2 . 16259 1 57 . 1 1 9 9 TYR HB3 H 1 3.045 0.001 . 2 . . . . 753 TYR HB3 . 16259 1 58 . 1 1 9 9 TYR N N 15 123.510 0.018 . 1 . . . . 753 TYR N . 16259 1 59 . 1 1 10 10 ASP H H 1 8.238 0.002 . 1 . . . . 754 ASP H . 16259 1 60 . 1 1 10 10 ASP HA H 1 4.593 0.000 . 1 . . . . 754 ASP HA . 16259 1 61 . 1 1 10 10 ASP HB2 H 1 2.644 0.003 . 2 . . . . 754 ASP HB2 . 16259 1 62 . 1 1 10 10 ASP HB3 H 1 2.766 0.006 . 2 . . . . 754 ASP HB3 . 16259 1 63 . 1 1 10 10 ASP N N 15 122.145 0.067 . 1 . . . . 754 ASP N . 16259 1 64 . 1 1 11 11 ARG H H 1 8.264 0.002 . 1 . . . . 755 ARG H . 16259 1 65 . 1 1 11 11 ARG HA H 1 4.218 0.004 . 1 . . . . 755 ARG HA . 16259 1 66 . 1 1 11 11 ARG HB2 H 1 1.763 0.006 . 2 . . . . 755 ARG HB2 . 16259 1 67 . 1 1 11 11 ARG HB3 H 1 1.904 0.001 . 2 . . . . 755 ARG HB3 . 16259 1 68 . 1 1 11 11 ARG HG2 H 1 1.619 0.001 . 1 . . . . 755 ARG HG2 . 16259 1 69 . 1 1 11 11 ARG HG3 H 1 1.620 0.000 . 1 . . . . 755 ARG HG3 . 16259 1 70 . 1 1 11 11 ARG N N 15 122.291 0.026 . 1 . . . . 755 ARG N . 16259 1 71 . 1 1 12 12 ARG H H 1 8.317 0.002 . 1 . . . . 756 ARG H . 16259 1 72 . 1 1 12 12 ARG HA H 1 4.178 0.000 . 1 . . . . 756 ARG HA . 16259 1 73 . 1 1 12 12 ARG HB2 H 1 1.782 0.000 . 1 . . . . 756 ARG HB2 . 16259 1 74 . 1 1 12 12 ARG HB3 H 1 1.782 0.000 . 1 . . . . 756 ARG HB3 . 16259 1 75 . 1 1 12 12 ARG HD2 H 1 3.156 0.000 . 1 . . . . 756 ARG HD2 . 16259 1 76 . 1 1 12 12 ARG HD3 H 1 3.156 0.000 . 1 . . . . 756 ARG HD3 . 16259 1 77 . 1 1 12 12 ARG HG2 H 1 1.581 0.009 . 1 . . . . 756 ARG HG2 . 16259 1 78 . 1 1 12 12 ARG HG3 H 1 1.573 0.000 . 1 . . . . 756 ARG HG3 . 16259 1 79 . 1 1 12 12 ARG N N 15 121.328 0.029 . 1 . . . . 756 ARG N . 16259 1 80 . 1 1 13 13 GLU H H 1 8.303 0.002 . 1 . . . . 757 GLU H . 16259 1 81 . 1 1 13 13 GLU HA H 1 4.248 0.001 . 1 . . . . 757 GLU HA . 16259 1 82 . 1 1 13 13 GLU HB2 H 1 1.917 0.006 . 2 . . . . 757 GLU HB2 . 16259 1 83 . 1 1 13 13 GLU HB3 H 1 2.015 0.001 . 2 . . . . 757 GLU HB3 . 16259 1 84 . 1 1 13 13 GLU HG2 H 1 2.221 0.001 . 1 . . . . 757 GLU HG2 . 16259 1 85 . 1 1 13 13 GLU HG3 H 1 2.220 0.000 . 1 . . . . 757 GLU HG3 . 16259 1 86 . 1 1 13 13 GLU N N 15 120.544 0.021 . 1 . . . . 757 GLU N . 16259 1 87 . 1 1 14 14 TYR H H 1 8.145 0.002 . 1 . . . . 758 TYR H . 16259 1 88 . 1 1 14 14 TYR HA H 1 4.525 0.000 . 1 . . . . 758 TYR HA . 16259 1 89 . 1 1 14 14 TYR HB2 H 1 2.951 0.000 . 2 . . . . 758 TYR HB2 . 16259 1 90 . 1 1 14 14 TYR HB3 H 1 3.082 0.001 . 2 . . . . 758 TYR HB3 . 16259 1 91 . 1 1 14 14 TYR N N 15 120.951 0.028 . 1 . . . . 758 TYR N . 16259 1 92 . 1 1 15 15 SER H H 1 8.271 0.002 . 1 . . . . 759 SER H . 16259 1 93 . 1 1 15 15 SER HA H 1 4.378 0.004 . 1 . . . . 759 SER HA . 16259 1 94 . 1 1 15 15 SER HB2 H 1 3.922 0.000 . 1 . . . . 759 SER HB2 . 16259 1 95 . 1 1 15 15 SER HB3 H 1 3.922 0.000 . 1 . . . . 759 SER HB3 . 16259 1 96 . 1 1 15 15 SER N N 15 116.848 0.024 . 1 . . . . 759 SER N . 16259 1 97 . 1 1 16 16 ARG H H 1 8.194 0.001 . 1 . . . . 760 ARG H . 16259 1 98 . 1 1 16 16 ARG HA H 1 4.153 0.001 . 1 . . . . 760 ARG HA . 16259 1 99 . 1 1 16 16 ARG HB2 H 1 1.706 0.000 . 1 . . . . 760 ARG HB2 . 16259 1 100 . 1 1 16 16 ARG HB3 H 1 1.708 0.002 . 1 . . . . 760 ARG HB3 . 16259 1 101 . 1 1 16 16 ARG HD2 H 1 3.080 0.000 . 1 . . . . 760 ARG HD2 . 16259 1 102 . 1 1 16 16 ARG HD3 H 1 3.080 0.000 . 1 . . . . 760 ARG HD3 . 16259 1 103 . 1 1 16 16 ARG HG2 H 1 1.429 0.002 . 1 . . . . 760 ARG HG2 . 16259 1 104 . 1 1 16 16 ARG HG3 H 1 1.431 0.000 . 1 . . . . 760 ARG HG3 . 16259 1 105 . 1 1 16 16 ARG N N 15 122.411 0.021 . 1 . . . . 760 ARG N . 16259 1 106 . 1 1 17 17 PHE H H 1 8.078 0.001 . 1 . . . . 761 PHE H . 16259 1 107 . 1 1 17 17 PHE HA H 1 4.540 0.004 . 1 . . . . 761 PHE HA . 16259 1 108 . 1 1 17 17 PHE HB2 H 1 2.998 0.001 . 2 . . . . 761 PHE HB2 . 16259 1 109 . 1 1 17 17 PHE HB3 H 1 3.149 0.001 . 2 . . . . 761 PHE HB3 . 16259 1 110 . 1 1 17 17 PHE N N 15 119.792 0.021 . 1 . . . . 761 PHE N . 16259 1 111 . 1 1 18 18 GLU H H 1 8.136 0.001 . 1 . . . . 762 GLU H . 16259 1 112 . 1 1 18 18 GLU HA H 1 4.131 0.001 . 1 . . . . 762 GLU HA . 16259 1 113 . 1 1 18 18 GLU HB2 H 1 2.008 0.000 . 1 . . . . 762 GLU HB2 . 16259 1 114 . 1 1 18 18 GLU HB3 H 1 2.010 0.004 . 1 . . . . 762 GLU HB3 . 16259 1 115 . 1 1 18 18 GLU HG2 H 1 2.304 0.001 . 1 . . . . 762 GLU HG2 . 16259 1 116 . 1 1 18 18 GLU HG3 H 1 2.303 0.000 . 1 . . . . 762 GLU HG3 . 16259 1 117 . 1 1 18 18 GLU N N 15 121.005 0.023 . 1 . . . . 762 GLU N . 16259 1 118 . 1 1 19 19 LYS H H 1 8.179 0.002 . 1 . . . . 763 LYS H . 16259 1 119 . 1 1 19 19 LYS HA H 1 4.137 0.000 . 1 . . . . 763 LYS HA . 16259 1 120 . 1 1 19 19 LYS HB2 H 1 1.811 0.000 . 1 . . . . 763 LYS HB2 . 16259 1 121 . 1 1 19 19 LYS HB3 H 1 1.816 0.004 . 1 . . . . 763 LYS HB3 . 16259 1 122 . 1 1 19 19 LYS HD2 H 1 1.469 0.000 . 1 . . . . 763 LYS HD2 . 16259 1 123 . 1 1 19 19 LYS HD3 H 1 1.469 0.000 . 1 . . . . 763 LYS HD3 . 16259 1 124 . 1 1 19 19 LYS HE2 H 1 2.974 0.000 . 1 . . . . 763 LYS HE2 . 16259 1 125 . 1 1 19 19 LYS HE3 H 1 2.974 0.000 . 1 . . . . 763 LYS HE3 . 16259 1 126 . 1 1 19 19 LYS HG2 H 1 1.411 0.002 . 1 . . . . 763 LYS HG2 . 16259 1 127 . 1 1 19 19 LYS HG3 H 1 1.410 0.000 . 1 . . . . 763 LYS HG3 . 16259 1 128 . 1 1 19 19 LYS N N 15 120.911 0.020 . 1 . . . . 763 LYS N . 16259 1 129 . 1 1 20 20 GLU H H 1 8.278 0.002 . 1 . . . . 764 GLU H . 16259 1 130 . 1 1 20 20 GLU HA H 1 4.177 0.003 . 1 . . . . 764 GLU HA . 16259 1 131 . 1 1 20 20 GLU HB2 H 1 2.018 0.000 . 1 . . . . 764 GLU HB2 . 16259 1 132 . 1 1 20 20 GLU HB3 H 1 2.018 0.000 . 1 . . . . 764 GLU HB3 . 16259 1 133 . 1 1 20 20 GLU HG2 H 1 2.353 0.000 . 1 . . . . 764 GLU HG2 . 16259 1 134 . 1 1 20 20 GLU HG3 H 1 2.353 0.000 . 1 . . . . 764 GLU HG3 . 16259 1 135 . 1 1 20 20 GLU N N 15 120.381 0.020 . 1 . . . . 764 GLU N . 16259 1 136 . 1 1 21 21 GLN H H 1 8.174 0.001 . 1 . . . . 765 GLN H . 16259 1 137 . 1 1 21 21 GLN HA H 1 4.125 0.004 . 1 . . . . 765 GLN HA . 16259 1 138 . 1 1 21 21 GLN HB2 H 1 1.949 0.000 . 2 . . . . 765 GLN HB2 . 16259 1 139 . 1 1 21 21 GLN HB3 H 1 2.027 0.000 . 2 . . . . 765 GLN HB3 . 16259 1 140 . 1 1 21 21 GLN HG2 H 1 2.222 0.003 . 1 . . . . 765 GLN HG2 . 16259 1 141 . 1 1 21 21 GLN HG3 H 1 2.225 0.000 . 1 . . . . 765 GLN HG3 . 16259 1 142 . 1 1 21 21 GLN N N 15 119.856 0.025 . 1 . . . . 765 GLN N . 16259 1 143 . 1 1 22 22 GLN H H 1 8.153 0.003 . 1 . . . . 766 GLN H . 16259 1 144 . 1 1 22 22 GLN HA H 1 4.204 0.000 . 1 . . . . 766 GLN HA . 16259 1 145 . 1 1 22 22 GLN HB2 H 1 1.966 0.000 . 2 . . . . 766 GLN HB2 . 16259 1 146 . 1 1 22 22 GLN HB3 H 1 2.073 0.000 . 2 . . . . 766 GLN HB3 . 16259 1 147 . 1 1 22 22 GLN HG2 H 1 2.303 0.000 . 1 . . . . 766 GLN HG2 . 16259 1 148 . 1 1 22 22 GLN HG3 H 1 2.304 0.000 . 1 . . . . 766 GLN HG3 . 16259 1 149 . 1 1 22 22 GLN N N 15 120.167 0.014 . 1 . . . . 766 GLN N . 16259 1 150 . 1 1 23 23 GLN H H 1 8.165 0.002 . 1 . . . . 767 GLN H . 16259 1 151 . 1 1 23 23 GLN HA H 1 4.178 0.000 . 1 . . . . 767 GLN HA . 16259 1 152 . 1 1 23 23 GLN HB2 H 1 1.975 0.000 . 2 . . . . 767 GLN HB2 . 16259 1 153 . 1 1 23 23 GLN HB3 H 1 2.081 0.001 . 2 . . . . 767 GLN HB3 . 16259 1 154 . 1 1 23 23 GLN HG2 H 1 2.324 0.002 . 1 . . . . 767 GLN HG2 . 16259 1 155 . 1 1 23 23 GLN HG3 H 1 2.322 0.000 . 1 . . . . 767 GLN HG3 . 16259 1 156 . 1 1 23 23 GLN N N 15 120.168 0.018 . 1 . . . . 767 GLN N . 16259 1 157 . 1 1 24 24 LEU H H 1 8.090 0.002 . 1 . . . . 768 LEU H . 16259 1 158 . 1 1 24 24 LEU HA H 1 4.245 0.000 . 1 . . . . 768 LEU HA . 16259 1 159 . 1 1 24 24 LEU HB2 H 1 1.597 0.000 . 1 . . . . 768 LEU HB2 . 16259 1 160 . 1 1 24 24 LEU HB3 H 1 1.599 0.003 . 1 . . . . 768 LEU HB3 . 16259 1 161 . 1 1 24 24 LEU HD11 H 1 0.852 0.000 . 1 . . . . 768 LEU HD11 . 16259 1 162 . 1 1 24 24 LEU HD12 H 1 0.852 0.000 . 1 . . . . 768 LEU HD12 . 16259 1 163 . 1 1 24 24 LEU HD13 H 1 0.852 0.000 . 1 . . . . 768 LEU HD13 . 16259 1 164 . 1 1 24 24 LEU HD21 H 1 0.852 0.000 . 1 . . . . 768 LEU HD21 . 16259 1 165 . 1 1 24 24 LEU HD22 H 1 0.852 0.000 . 1 . . . . 768 LEU HD22 . 16259 1 166 . 1 1 24 24 LEU HD23 H 1 0.852 0.000 . 1 . . . . 768 LEU HD23 . 16259 1 167 . 1 1 24 24 LEU HG H 1 1.454 0.006 . 1 . . . . 768 LEU HG . 16259 1 168 . 1 1 24 24 LEU N N 15 122.164 0.025 . 1 . . . . 768 LEU N . 16259 1 169 . 1 1 25 25 ASN H H 1 8.271 0.002 . 1 . . . . 769 ASN H . 16259 1 170 . 1 1 25 25 ASN HA H 1 4.653 0.000 . 1 . . . . 769 ASN HA . 16259 1 171 . 1 1 25 25 ASN HB2 H 1 2.721 0.006 . 2 . . . . 769 ASN HB2 . 16259 1 172 . 1 1 25 25 ASN HB3 H 1 2.808 0.003 . 2 . . . . 769 ASN HB3 . 16259 1 173 . 1 1 25 25 ASN N N 15 118.317 0.035 . 1 . . . . 769 ASN N . 16259 1 174 . 1 1 26 26 TRP H H 1 7.927 0.004 . 1 . . . . 770 TRP H . 16259 1 175 . 1 1 26 26 TRP HA H 1 4.585 0.005 . 1 . . . . 770 TRP HA . 16259 1 176 . 1 1 26 26 TRP HB2 H 1 3.270 0.000 . 1 . . . . 770 TRP HB2 . 16259 1 177 . 1 1 26 26 TRP HB3 H 1 3.270 0.000 . 1 . . . . 770 TRP HB3 . 16259 1 178 . 1 1 26 26 TRP HD1 H 1 7.248 0.004 . 1 . . . . 770 TRP HD1 . 16259 1 179 . 1 1 26 26 TRP HE1 H 1 10.111 0.001 . 1 . . . . 770 TRP HE1 . 16259 1 180 . 1 1 26 26 TRP HZ2 H 1 7.463 0.000 . 1 . . . . 770 TRP HZ2 . 16259 1 181 . 1 1 26 26 TRP N N 15 121.271 0.023 . 1 . . . . 770 TRP N . 16259 1 182 . 1 1 26 26 TRP NE1 N 15 129.427 0.013 . 1 . . . . 770 TRP NE1 . 16259 1 183 . 1 1 27 27 LYS H H 1 7.910 0.002 . 1 . . . . 771 LYS H . 16259 1 184 . 1 1 27 27 LYS HA H 1 4.109 0.003 . 1 . . . . 771 LYS HA . 16259 1 185 . 1 1 27 27 LYS HB2 H 1 1.678 0.000 . 1 . . . . 771 LYS HB2 . 16259 1 186 . 1 1 27 27 LYS HB3 H 1 1.679 0.001 . 1 . . . . 771 LYS HB3 . 16259 1 187 . 1 1 27 27 LYS HD2 H 1 1.539 0.000 . 1 . . . . 771 LYS HD2 . 16259 1 188 . 1 1 27 27 LYS HD3 H 1 1.543 0.004 . 1 . . . . 771 LYS HD3 . 16259 1 189 . 1 1 27 27 LYS HG2 H 1 1.157 0.000 . 1 . . . . 771 LYS HG2 . 16259 1 190 . 1 1 27 27 LYS HG3 H 1 1.157 0.000 . 1 . . . . 771 LYS HG3 . 16259 1 191 . 1 1 27 27 LYS N N 15 122.712 0.021 . 1 . . . . 771 LYS N . 16259 1 192 . 1 1 28 28 GLN H H 1 8.109 0.002 . 1 . . . . 772 GLN H . 16259 1 193 . 1 1 28 28 GLN HA H 1 4.137 0.007 . 1 . . . . 772 GLN HA . 16259 1 194 . 1 1 28 28 GLN HB2 H 1 1.921 0.000 . 2 . . . . 772 GLN HB2 . 16259 1 195 . 1 1 28 28 GLN HB3 H 1 2.028 0.005 . 2 . . . . 772 GLN HB3 . 16259 1 196 . 1 1 28 28 GLN HG2 H 1 2.286 0.001 . 1 . . . . 772 GLN HG2 . 16259 1 197 . 1 1 28 28 GLN HG3 H 1 2.286 0.000 . 1 . . . . 772 GLN HG3 . 16259 1 198 . 1 1 28 28 GLN N N 15 121.037 0.020 . 1 . . . . 772 GLN N . 16259 1 199 . 1 1 29 29 ASP H H 1 8.310 0.003 . 1 . . . . 773 ASP H . 16259 1 200 . 1 1 29 29 ASP HA H 1 4.568 0.001 . 1 . . . . 773 ASP HA . 16259 1 201 . 1 1 29 29 ASP HB2 H 1 2.675 0.000 . 1 . . . . 773 ASP HB2 . 16259 1 202 . 1 1 29 29 ASP HB3 H 1 2.681 0.005 . 1 . . . . 773 ASP HB3 . 16259 1 203 . 1 1 29 29 ASP N N 15 121.030 0.035 . 1 . . . . 773 ASP N . 16259 1 204 . 1 1 30 30 SER H H 1 8.137 0.001 . 1 . . . . 774 SER H . 16259 1 205 . 1 1 30 30 SER HA H 1 4.390 0.000 . 1 . . . . 774 SER HA . 16259 1 206 . 1 1 30 30 SER HB2 H 1 3.835 0.000 . 1 . . . . 774 SER HB2 . 16259 1 207 . 1 1 30 30 SER HB3 H 1 3.833 0.002 . 1 . . . . 774 SER HB3 . 16259 1 208 . 1 1 30 30 SER N N 15 115.587 0.024 . 1 . . . . 774 SER N . 16259 1 209 . 1 1 31 31 ASN H H 1 8.326 0.003 . 1 . . . . 775 ASN H . 16259 1 210 . 1 1 31 31 ASN HA H 1 4.920 0.000 . 1 . . . . 775 ASN HA . 16259 1 211 . 1 1 31 31 ASN HB2 H 1 2.712 0.000 . 2 . . . . 775 ASN HB2 . 16259 1 212 . 1 1 31 31 ASN HB3 H 1 2.856 0.000 . 2 . . . . 775 ASN HB3 . 16259 1 213 . 1 1 31 31 ASN N N 15 121.643 0.023 . 1 . . . . 775 ASN N . 16259 1 214 . 1 1 32 32 PRO HA H 1 4.367 0.000 . 1 . . . . 776 PRO HA . 16259 1 215 . 1 1 32 32 PRO HB2 H 1 1.937 0.000 . 1 . . . . 776 PRO HB2 . 16259 1 216 . 1 1 32 32 PRO HB3 H 1 1.937 0.000 . 1 . . . . 776 PRO HB3 . 16259 1 217 . 1 1 32 32 PRO HD2 H 1 3.721 0.000 . 1 . . . . 776 PRO HD2 . 16259 1 218 . 1 1 32 32 PRO HD3 H 1 3.721 0.000 . 1 . . . . 776 PRO HD3 . 16259 1 219 . 1 1 32 32 PRO HG2 H 1 1.877 0.000 . 1 . . . . 776 PRO HG2 . 16259 1 220 . 1 1 32 32 PRO HG3 H 1 1.877 0.000 . 1 . . . . 776 PRO HG3 . 16259 1 221 . 1 1 33 33 LEU H H 1 8.104 0.001 . 1 . . . . 777 LEU H . 16259 1 222 . 1 1 33 33 LEU HA H 1 4.196 0.001 . 1 . . . . 777 LEU HA . 16259 1 223 . 1 1 33 33 LEU HB2 H 1 1.495 0.000 . 1 . . . . 777 LEU HB2 . 16259 1 224 . 1 1 33 33 LEU HB3 H 1 1.496 0.001 . 1 . . . . 777 LEU HB3 . 16259 1 225 . 1 1 33 33 LEU HD11 H 1 0.895 0.000 . 1 . . . . 777 LEU HD11 . 16259 1 226 . 1 1 33 33 LEU HD12 H 1 0.895 0.000 . 1 . . . . 777 LEU HD12 . 16259 1 227 . 1 1 33 33 LEU HD13 H 1 0.895 0.000 . 1 . . . . 777 LEU HD13 . 16259 1 228 . 1 1 33 33 LEU HD21 H 1 0.895 0.000 . 1 . . . . 777 LEU HD21 . 16259 1 229 . 1 1 33 33 LEU HD22 H 1 0.895 0.000 . 1 . . . . 777 LEU HD22 . 16259 1 230 . 1 1 33 33 LEU HD23 H 1 0.895 0.000 . 1 . . . . 777 LEU HD23 . 16259 1 231 . 1 1 33 33 LEU HG H 1 1.372 0.002 . 1 . . . . 777 LEU HG . 16259 1 232 . 1 1 33 33 LEU N N 15 120.069 0.050 . 1 . . . . 777 LEU N . 16259 1 233 . 1 1 34 34 TYR H H 1 7.784 0.001 . 1 . . . . 778 TYR H . 16259 1 234 . 1 1 34 34 TYR HA H 1 4.552 0.001 . 1 . . . . 778 TYR HA . 16259 1 235 . 1 1 34 34 TYR HB2 H 1 2.949 0.003 . 2 . . . . 778 TYR HB2 . 16259 1 236 . 1 1 34 34 TYR HB3 H 1 3.089 0.004 . 2 . . . . 778 TYR HB3 . 16259 1 237 . 1 1 34 34 TYR N N 15 119.528 0.020 . 1 . . . . 778 TYR N . 16259 1 238 . 1 1 35 35 LYS H H 1 7.975 0.002 . 1 . . . . 779 LYS H . 16259 1 239 . 1 1 35 35 LYS HA H 1 4.261 0.000 . 1 . . . . 779 LYS HA . 16259 1 240 . 1 1 35 35 LYS HB2 H 1 1.793 0.000 . 1 . . . . 779 LYS HB2 . 16259 1 241 . 1 1 35 35 LYS HB3 H 1 1.790 0.003 . 1 . . . . 779 LYS HB3 . 16259 1 242 . 1 1 35 35 LYS HD2 H 1 1.688 0.000 . 1 . . . . 779 LYS HD2 . 16259 1 243 . 1 1 35 35 LYS HD3 H 1 1.687 0.000 . 1 . . . . 779 LYS HD3 . 16259 1 244 . 1 1 35 35 LYS HG2 H 1 1.377 0.020 . 1 . . . . 779 LYS HG2 . 16259 1 245 . 1 1 35 35 LYS HG3 H 1 1.357 0.000 . 1 . . . . 779 LYS HG3 . 16259 1 246 . 1 1 35 35 LYS N N 15 122.844 0.015 . 1 . . . . 779 LYS N . 16259 1 247 . 1 1 36 36 SER H H 1 8.169 0.002 . 1 . . . . 780 SER H . 16259 1 248 . 1 1 36 36 SER HA H 1 4.382 0.003 . 1 . . . . 780 SER HA . 16259 1 249 . 1 1 36 36 SER HB2 H 1 3.867 0.000 . 1 . . . . 780 SER HB2 . 16259 1 250 . 1 1 36 36 SER HB3 H 1 3.866 0.001 . 1 . . . . 780 SER HB3 . 16259 1 251 . 1 1 36 36 SER N N 15 116.800 0.020 . 1 . . . . 780 SER N . 16259 1 252 . 1 1 37 37 ALA H H 1 8.309 0.003 . 1 . . . . 781 ALA H . 16259 1 253 . 1 1 37 37 ALA HA H 1 4.372 0.003 . 1 . . . . 781 ALA HA . 16259 1 254 . 1 1 37 37 ALA HB1 H 1 1.392 0.000 . 1 . . . . 781 ALA HB1 . 16259 1 255 . 1 1 37 37 ALA HB2 H 1 1.392 0.000 . 1 . . . . 781 ALA HB2 . 16259 1 256 . 1 1 37 37 ALA HB3 H 1 1.392 0.000 . 1 . . . . 781 ALA HB3 . 16259 1 257 . 1 1 37 37 ALA N N 15 126.043 0.021 . 1 . . . . 781 ALA N . 16259 1 258 . 1 1 38 38 ILE H H 1 8.094 0.002 . 1 . . . . 782 ILE H . 16259 1 259 . 1 1 38 38 ILE HA H 1 4.221 0.001 . 1 . . . . 782 ILE HA . 16259 1 260 . 1 1 38 38 ILE HB H 1 1.876 0.001 . 1 . . . . 782 ILE HB . 16259 1 261 . 1 1 38 38 ILE HG12 H 1 1.193 0.001 . 2 . . . . 782 ILE HG12 . 16259 1 262 . 1 1 38 38 ILE HG13 H 1 1.481 0.001 . 2 . . . . 782 ILE HG13 . 16259 1 263 . 1 1 38 38 ILE HG21 H 1 0.907 0.004 . 1 . . . . 782 ILE HG21 . 16259 1 264 . 1 1 38 38 ILE HG22 H 1 0.907 0.004 . 1 . . . . 782 ILE HG22 . 16259 1 265 . 1 1 38 38 ILE HG23 H 1 0.907 0.004 . 1 . . . . 782 ILE HG23 . 16259 1 266 . 1 1 38 38 ILE N N 15 119.695 0.018 . 1 . . . . 782 ILE N . 16259 1 267 . 1 1 39 39 THR H H 1 8.217 0.002 . 1 . . . . 783 THR H . 16259 1 268 . 1 1 39 39 THR HA H 1 4.447 0.000 . 1 . . . . 783 THR HA . 16259 1 269 . 1 1 39 39 THR HB H 1 4.251 0.011 . 1 . . . . 783 THR HB . 16259 1 270 . 1 1 39 39 THR HG21 H 1 1.210 0.004 . 1 . . . . 783 THR HG21 . 16259 1 271 . 1 1 39 39 THR HG22 H 1 1.210 0.004 . 1 . . . . 783 THR HG22 . 16259 1 272 . 1 1 39 39 THR HG23 H 1 1.210 0.004 . 1 . . . . 783 THR HG23 . 16259 1 273 . 1 1 39 39 THR N N 15 118.178 0.027 . 1 . . . . 783 THR N . 16259 1 274 . 1 1 40 40 THR H H 1 8.156 0.004 . 1 . . . . 784 THR H . 16259 1 275 . 1 1 40 40 THR HA H 1 4.420 0.004 . 1 . . . . 784 THR HA . 16259 1 276 . 1 1 40 40 THR HB H 1 4.248 0.000 . 1 . . . . 784 THR HB . 16259 1 277 . 1 1 40 40 THR HG21 H 1 1.205 0.002 . 1 . . . . 784 THR HG21 . 16259 1 278 . 1 1 40 40 THR HG22 H 1 1.205 0.002 . 1 . . . . 784 THR HG22 . 16259 1 279 . 1 1 40 40 THR HG23 H 1 1.205 0.002 . 1 . . . . 784 THR HG23 . 16259 1 280 . 1 1 40 40 THR N N 15 116.621 0.031 . 1 . . . . 784 THR N . 16259 1 281 . 1 1 41 41 THR H H 1 8.163 0.001 . 1 . . . . 785 THR H . 16259 1 282 . 1 1 41 41 THR HA H 1 4.339 0.009 . 1 . . . . 785 THR HA . 16259 1 283 . 1 1 41 41 THR HB H 1 4.162 0.004 . 1 . . . . 785 THR HB . 16259 1 284 . 1 1 41 41 THR HG21 H 1 1.188 0.002 . 1 . . . . 785 THR HG21 . 16259 1 285 . 1 1 41 41 THR HG22 H 1 1.188 0.002 . 1 . . . . 785 THR HG22 . 16259 1 286 . 1 1 41 41 THR HG23 H 1 1.188 0.002 . 1 . . . . 785 THR HG23 . 16259 1 287 . 1 1 41 41 THR N N 15 117.102 0.029 . 1 . . . . 785 THR N . 16259 1 288 . 1 1 42 42 ILE H H 1 8.169 0.004 . 1 . . . . 786 ILE H . 16259 1 289 . 1 1 42 42 ILE HA H 1 4.157 0.000 . 1 . . . . 786 ILE HA . 16259 1 290 . 1 1 42 42 ILE HB H 1 1.822 0.002 . 1 . . . . 786 ILE HB . 16259 1 291 . 1 1 42 42 ILE HG12 H 1 1.171 0.001 . 2 . . . . 786 ILE HG12 . 16259 1 292 . 1 1 42 42 ILE HG13 H 1 1.441 0.000 . 2 . . . . 786 ILE HG13 . 16259 1 293 . 1 1 42 42 ILE HG21 H 1 0.853 0.003 . 1 . . . . 786 ILE HG21 . 16259 1 294 . 1 1 42 42 ILE HG22 H 1 0.853 0.003 . 1 . . . . 786 ILE HG22 . 16259 1 295 . 1 1 42 42 ILE HG23 H 1 0.853 0.003 . 1 . . . . 786 ILE HG23 . 16259 1 296 . 1 1 42 42 ILE N N 15 123.468 0.016 . 1 . . . . 786 ILE N . 16259 1 297 . 1 1 43 43 ASN H H 1 8.513 0.005 . 1 . . . . 787 ASN H . 16259 1 298 . 1 1 43 43 ASN HA H 1 4.951 0.000 . 1 . . . . 787 ASN HA . 16259 1 299 . 1 1 43 43 ASN HB2 H 1 2.684 0.000 . 2 . . . . 787 ASN HB2 . 16259 1 300 . 1 1 43 43 ASN HB3 H 1 2.831 0.000 . 2 . . . . 787 ASN HB3 . 16259 1 301 . 1 1 43 43 ASN N N 15 124.192 0.019 . 1 . . . . 787 ASN N . 16259 1 302 . 1 1 44 44 PRO HA H 1 4.368 0.000 . 1 . . . . 788 PRO HA . 16259 1 303 . 1 1 44 44 PRO HB2 H 1 2.006 0.000 . 1 . . . . 788 PRO HB2 . 16259 1 304 . 1 1 44 44 PRO HB3 H 1 2.006 0.000 . 1 . . . . 788 PRO HB3 . 16259 1 305 . 1 1 44 44 PRO HD2 H 1 3.736 0.000 . 1 . . . . 788 PRO HD2 . 16259 1 306 . 1 1 44 44 PRO HD3 H 1 3.736 0.000 . 1 . . . . 788 PRO HD3 . 16259 1 307 . 1 1 44 44 PRO HG2 H 1 1.868 0.000 . 1 . . . . 788 PRO HG2 . 16259 1 308 . 1 1 44 44 PRO HG3 H 1 1.868 0.000 . 1 . . . . 788 PRO HG3 . 16259 1 309 . 1 1 45 45 ARG H H 1 8.197 0.001 . 1 . . . . 789 ARG H . 16259 1 310 . 1 1 45 45 ARG HA H 1 4.218 0.005 . 1 . . . . 789 ARG HA . 16259 1 311 . 1 1 45 45 ARG HB2 H 1 1.658 0.000 . 1 . . . . 789 ARG HB2 . 16259 1 312 . 1 1 45 45 ARG HB3 H 1 1.664 0.005 . 1 . . . . 789 ARG HB3 . 16259 1 313 . 1 1 45 45 ARG HG2 H 1 1.506 0.000 . 1 . . . . 789 ARG HG2 . 16259 1 314 . 1 1 45 45 ARG HG3 H 1 1.506 0.000 . 1 . . . . 789 ARG HG3 . 16259 1 315 . 1 1 45 45 ARG N N 15 119.733 0.015 . 1 . . . . 789 ARG N . 16259 1 316 . 1 1 46 46 PHE H H 1 8.048 0.002 . 1 . . . . 790 PHE H . 16259 1 317 . 1 1 46 46 PHE HA H 1 4.621 0.000 . 1 . . . . 790 PHE HA . 16259 1 318 . 1 1 46 46 PHE HB2 H 1 3.029 0.006 . 2 . . . . 790 PHE HB2 . 16259 1 319 . 1 1 46 46 PHE HB3 H 1 3.160 0.003 . 2 . . . . 790 PHE HB3 . 16259 1 320 . 1 1 46 46 PHE N N 15 120.535 0.019 . 1 . . . . 790 PHE N . 16259 1 321 . 1 1 47 47 GLN H H 1 8.160 0.001 . 1 . . . . 791 GLN H . 16259 1 322 . 1 1 47 47 GLN HA H 1 4.278 0.003 . 1 . . . . 791 GLN HA . 16259 1 323 . 1 1 47 47 GLN HB2 H 1 1.923 0.004 . 2 . . . . 791 GLN HB2 . 16259 1 324 . 1 1 47 47 GLN HB3 H 1 2.044 0.003 . 2 . . . . 791 GLN HB3 . 16259 1 325 . 1 1 47 47 GLN HG2 H 1 2.266 0.000 . 1 . . . . 791 GLN HG2 . 16259 1 326 . 1 1 47 47 GLN HG3 H 1 2.266 0.000 . 1 . . . . 791 GLN HG3 . 16259 1 327 . 1 1 47 47 GLN N N 15 121.856 0.023 . 1 . . . . 791 GLN N . 16259 1 328 . 1 1 48 48 GLU H H 1 8.332 0.002 . 1 . . . . 792 GLU H . 16259 1 329 . 1 1 48 48 GLU HA H 1 4.264 0.001 . 1 . . . . 792 GLU HA . 16259 1 330 . 1 1 48 48 GLU HB2 H 1 1.961 0.002 . 2 . . . . 792 GLU HB2 . 16259 1 331 . 1 1 48 48 GLU HB3 H 1 2.085 0.002 . 2 . . . . 792 GLU HB3 . 16259 1 332 . 1 1 48 48 GLU HG2 H 1 2.379 0.000 . 1 . . . . 792 GLU HG2 . 16259 1 333 . 1 1 48 48 GLU HG3 H 1 2.379 0.000 . 1 . . . . 792 GLU HG3 . 16259 1 334 . 1 1 48 48 GLU N N 15 122.173 0.020 . 1 . . . . 792 GLU N . 16259 1 335 . 1 1 49 49 ALA H H 1 8.360 0.002 . 1 . . . . 793 ALA H . 16259 1 336 . 1 1 49 49 ALA HA H 1 4.295 0.005 . 1 . . . . 793 ALA HA . 16259 1 337 . 1 1 49 49 ALA HB1 H 1 1.389 0.002 . 1 . . . . 793 ALA HB1 . 16259 1 338 . 1 1 49 49 ALA HB2 H 1 1.389 0.002 . 1 . . . . 793 ALA HB2 . 16259 1 339 . 1 1 49 49 ALA HB3 H 1 1.389 0.002 . 1 . . . . 793 ALA HB3 . 16259 1 340 . 1 1 49 49 ALA N N 15 124.929 0.021 . 1 . . . . 793 ALA N . 16259 1 341 . 1 1 50 50 ASP H H 1 8.314 0.003 . 1 . . . . 794 ASP H . 16259 1 342 . 1 1 50 50 ASP HA H 1 4.633 0.001 . 1 . . . . 794 ASP HA . 16259 1 343 . 1 1 50 50 ASP HB2 H 1 2.704 0.000 . 1 . . . . 794 ASP HB2 . 16259 1 344 . 1 1 50 50 ASP HB3 H 1 2.730 0.000 . 2 . . . . 794 ASP HB3 . 16259 1 345 . 1 1 50 50 ASP N N 15 118.879 0.021 . 1 . . . . 794 ASP N . 16259 1 346 . 1 1 51 51 SER H H 1 8.116 0.002 . 1 . . . . 795 SER H . 16259 1 347 . 1 1 51 51 SER HA H 1 4.747 0.000 . 1 . . . . 795 SER HA . 16259 1 348 . 1 1 51 51 SER HB2 H 1 3.795 0.000 . 2 . . . . 795 SER HB2 . 16259 1 349 . 1 1 51 51 SER HB3 H 1 3.845 0.000 . 2 . . . . 795 SER HB3 . 16259 1 350 . 1 1 51 51 SER N N 15 116.858 0.012 . 1 . . . . 795 SER N . 16259 1 351 . 1 1 52 52 PRO HA H 1 4.516 0.000 . 1 . . . . 796 PRO HA . 16259 1 352 . 1 1 53 53 THR H H 1 8.253 0.002 . 1 . . . . 797 THR H . 16259 1 353 . 1 1 53 53 THR HA H 1 4.310 0.000 . 1 . . . . 797 THR HA . 16259 1 354 . 1 1 53 53 THR HB H 1 4.203 0.000 . 1 . . . . 797 THR HB . 16259 1 355 . 1 1 53 53 THR HG21 H 1 1.205 0.000 . 1 . . . . 797 THR HG21 . 16259 1 356 . 1 1 53 53 THR HG22 H 1 1.205 0.000 . 1 . . . . 797 THR HG22 . 16259 1 357 . 1 1 53 53 THR HG23 H 1 1.205 0.000 . 1 . . . . 797 THR HG23 . 16259 1 358 . 1 1 53 53 THR N N 15 115.274 0.027 . 1 . . . . 797 THR N . 16259 1 359 . 1 1 54 54 LEU H H 1 7.955 0.002 . 1 . . . . 798 LEU H . 16259 1 360 . 1 1 54 54 LEU HA H 1 4.219 0.000 . 1 . . . . 798 LEU HA . 16259 1 361 . 1 1 54 54 LEU HB2 H 1 1.608 0.000 . 1 . . . . 798 LEU HB2 . 16259 1 362 . 1 1 54 54 LEU HB3 H 1 1.608 0.000 . 1 . . . . 798 LEU HB3 . 16259 1 363 . 1 1 54 54 LEU HD11 H 1 0.876 0.000 . 1 . . . . 798 LEU HD11 . 16259 1 364 . 1 1 54 54 LEU HD12 H 1 0.876 0.000 . 1 . . . . 798 LEU HD12 . 16259 1 365 . 1 1 54 54 LEU HD13 H 1 0.876 0.000 . 1 . . . . 798 LEU HD13 . 16259 1 366 . 1 1 54 54 LEU HD21 H 1 0.876 0.000 . 1 . . . . 798 LEU HD21 . 16259 1 367 . 1 1 54 54 LEU HD22 H 1 0.876 0.000 . 1 . . . . 798 LEU HD22 . 16259 1 368 . 1 1 54 54 LEU HD23 H 1 0.876 0.000 . 1 . . . . 798 LEU HD23 . 16259 1 369 . 1 1 54 54 LEU HG H 1 1.481 0.000 . 1 . . . . 798 LEU HG . 16259 1 370 . 1 1 54 54 LEU N N 15 130.305 0.062 . 1 . . . . 798 LEU N . 16259 1 stop_ save_ save_pH-6.1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode pH-6.1 _Assigned_chem_shift_list.Entry_ID 16259 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH6.1 _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' . . . 16259 2 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 3 3 ARG H H 1 8.520 . . 1 . . . . 747 R H . 16259 2 2 . 1 1 3 3 ARG N N 15 122.042 . . 1 . . . . 747 R N . 16259 2 3 . 1 1 4 4 LEU H H 1 8.404 . . 1 . . . . 748 L H . 16259 2 4 . 1 1 4 4 LEU N N 15 124.619 . . 1 . . . . 748 L N . 16259 2 5 . 1 1 5 5 SER H H 1 8.328 . . 1 . . . . 749 S H . 16259 2 6 . 1 1 5 5 SER N N 15 117.128 . . 1 . . . . 749 S N . 16259 2 7 . 1 1 6 6 VAL H H 1 8.072 . . 1 . . . . 750 V H . 16259 2 8 . 1 1 6 6 VAL N N 15 120.972 . . 1 . . . . 750 V N . 16259 2 9 . 1 1 7 7 GLU H H 1 8.406 . . 1 . . . . 751 E H . 16259 2 10 . 1 1 7 7 GLU N N 15 124.147 . . 1 . . . . 751 E N . 16259 2 11 . 1 1 8 8 ILE H H 1 8.047 . . 1 . . . . 752 I H . 16259 2 12 . 1 1 8 8 ILE N N 15 121.328 . . 1 . . . . 752 I N . 16259 2 13 . 1 1 9 9 TYR H H 1 8.091 . . 1 . . . . 753 Y H . 16259 2 14 . 1 1 9 9 TYR N N 15 123.624 . . 1 . . . . 753 Y N . 16259 2 15 . 1 1 10 10 ASP H H 1 8.239 . . 1 . . . . 754 D H . 16259 2 16 . 1 1 10 10 ASP N N 15 122.269 . . 1 . . . . 754 D N . 16259 2 17 . 1 1 11 11 ARG H H 1 8.251 . . 1 . . . . 755 R H . 16259 2 18 . 1 1 11 11 ARG N N 15 122.321 . . 1 . . . . 755 R N . 16259 2 19 . 1 1 12 12 ARG H H 1 8.322 . . 1 . . . . 756 R H . 16259 2 20 . 1 1 12 12 ARG N N 15 121.623 . . 1 . . . . 756 R N . 16259 2 21 . 1 1 13 13 GLU H H 1 8.357 . . 1 . . . . 757 E H . 16259 2 22 . 1 1 13 13 GLU N N 15 120.984 . . 1 . . . . 757 E N . 16259 2 23 . 1 1 14 14 TYR H H 1 8.149 . . 1 . . . . 758 Y H . 16259 2 24 . 1 1 14 14 TYR N N 15 121.045 . . 1 . . . . 758 Y N . 16259 2 25 . 1 1 15 15 SER H H 1 8.342 . . 1 . . . . 759 S H . 16259 2 26 . 1 1 15 15 SER N N 15 117.204 . . 1 . . . . 759 S N . 16259 2 27 . 1 1 16 16 ARG H H 1 8.241 . . 1 . . . . 760 R H . 16259 2 28 . 1 1 16 16 ARG N N 15 122.613 . . 1 . . . . 760 R N . 16259 2 29 . 1 1 17 17 PHE H H 1 8.092 . . 1 . . . . 761 F H . 16259 2 30 . 1 1 17 17 PHE N N 15 119.853 . . 1 . . . . 761 F N . 16259 2 31 . 1 1 18 18 GLU H H 1 8.162 . . 1 . . . . 762 E H . 16259 2 32 . 1 1 18 18 GLU N N 15 121.265 . . 1 . . . . 762 E N . 16259 2 33 . 1 1 19 19 LYS H H 1 8.184 . . 1 . . . . 763 K H . 16259 2 34 . 1 1 19 19 LYS N N 15 120.898 . . 1 . . . . 763 K N . 16259 2 35 . 1 1 20 20 GLU H H 1 8.322 . . 1 . . . . 764 E H . 16259 2 36 . 1 1 20 20 GLU N N 15 120.596 . . 1 . . . . 764 E N . 16259 2 37 . 1 1 21 21 GLN H H 1 8.165 . . 1 . . . . 765 Q H . 16259 2 38 . 1 1 21 21 GLN N N 15 119.773 . . 1 . . . . 765 Q N . 16259 2 39 . 1 1 22 22 GLN H H 1 8.156 . . 1 . . . . 766 Q H . 16259 2 40 . 1 1 22 22 GLN N N 15 120.180 . . 1 . . . . 766 Q N . 16259 2 41 . 1 1 23 23 GLN H H 1 8.151 . . 1 . . . . 767 Q H . 16259 2 42 . 1 1 23 23 GLN N N 15 120.118 . . 1 . . . . 767 Q N . 16259 2 43 . 1 1 24 24 LEU H H 1 8.080 . . 1 . . . . 768 L H . 16259 2 44 . 1 1 24 24 LEU N N 15 122.184 . . 1 . . . . 768 L N . 16259 2 45 . 1 1 25 25 ASN H H 1 8.271 . . 1 . . . . 769 N H . 16259 2 46 . 1 1 25 25 ASN N N 15 118.438 . . 1 . . . . 769 N N . 16259 2 47 . 1 1 26 26 TRP H H 1 7.928 . . 1 . . . . 770 W H . 16259 2 48 . 1 1 26 26 TRP N N 15 121.306 . . 1 . . . . 770 W N . 16259 2 49 . 1 1 27 27 LYS H H 1 7.916 . . 1 . . . . 771 K H . 16259 2 50 . 1 1 27 27 LYS N N 15 122.778 . . 1 . . . . 771 K N . 16259 2 51 . 1 1 28 28 GLN H H 1 8.110 . . 1 . . . . 772 Q H . 16259 2 52 . 1 1 28 28 GLN N N 15 121.107 . . 1 . . . . 772 Q N . 16259 2 53 . 1 1 29 29 ASP H H 1 8.310 . . 1 . . . . 773 D H . 16259 2 54 . 1 1 29 29 ASP N N 15 121.239 . . 1 . . . . 773 D N . 16259 2 55 . 1 1 30 30 SER H H 1 8.126 . . 1 . . . . 774 S H . 16259 2 56 . 1 1 30 30 SER N N 15 115.530 . . 1 . . . . 774 S N . 16259 2 57 . 1 1 31 31 ASN H H 1 8.345 . . 1 . . . . 775 N H . 16259 2 58 . 1 1 31 31 ASN N N 15 121.714 . . 1 . . . . 775 N N . 16259 2 59 . 1 1 33 33 LEU H H 1 8.109 . . 1 . . . . 777 L H . 16259 2 60 . 1 1 33 33 LEU N N 15 120.214 . . 1 . . . . 777 L N . 16259 2 61 . 1 1 34 34 TYR H H 1 7.792 . . 1 . . . . 778 Y H . 16259 2 62 . 1 1 34 34 TYR N N 15 119.625 . . 1 . . . . 778 Y N . 16259 2 63 . 1 1 35 35 LYS H H 1 7.983 . . 1 . . . . 779 K H . 16259 2 64 . 1 1 35 35 LYS N N 15 122.903 . . 1 . . . . 779 K N . 16259 2 65 . 1 1 36 36 SER H H 1 8.174 . . 1 . . . . 780 S H . 16259 2 66 . 1 1 36 36 SER N N 15 116.849 . . 1 . . . . 780 S N . 16259 2 67 . 1 1 37 37 ALA H H 1 8.311 . . 1 . . . . 781 A H . 16259 2 68 . 1 1 37 37 ALA N N 15 126.101 . . 1 . . . . 781 A N . 16259 2 69 . 1 1 38 38 ILE H H 1 8.095 . . 1 . . . . 782 I H . 16259 2 70 . 1 1 38 38 ILE N N 15 119.751 . . 1 . . . . 782 I N . 16259 2 71 . 1 1 39 39 THR H H 1 8.223 . . 1 . . . . 783 T H . 16259 2 72 . 1 1 39 39 THR N N 15 118.318 . . 1 . . . . 783 T N . 16259 2 73 . 1 1 40 40 THR H H 1 8.166 . . 1 . . . . 784 T H . 16259 2 74 . 1 1 40 40 THR N N 15 116.767 . . 1 . . . . 784 T N . 16259 2 75 . 1 1 41 41 THR H H 1 8.176 . . 1 . . . . 785 T H . 16259 2 76 . 1 1 41 41 THR N N 15 117.315 . . 1 . . . . 785 T N . 16259 2 77 . 1 1 42 42 ILE H H 1 8.176 . . 1 . . . . 786 I H . 16259 2 78 . 1 1 42 42 ILE N N 15 123.609 . . 1 . . . . 786 I N . 16259 2 79 . 1 1 43 43 ASN H H 1 8.525 . . 1 . . . . 787 N H . 16259 2 80 . 1 1 43 43 ASN N N 15 124.321 . . 1 . . . . 787 N N . 16259 2 81 . 1 1 45 45 ARG H H 1 8.221 . . 1 . . . . 789 R H . 16259 2 82 . 1 1 45 45 ARG N N 15 119.977 . . 1 . . . . 789 R N . 16259 2 83 . 1 1 46 46 PHE H H 1 8.082 . . 1 . . . . 790 F H . 16259 2 84 . 1 1 46 46 PHE N N 15 120.736 . . 1 . . . . 790 F N . 16259 2 85 . 1 1 47 47 GLN H H 1 8.170 . . 1 . . . . 791 Q H . 16259 2 86 . 1 1 47 47 GLN N N 15 122.029 . . 1 . . . . 791 Q N . 16259 2 87 . 1 1 48 48 GLU H H 1 8.385 . . 1 . . . . 792 E H . 16259 2 88 . 1 1 48 48 GLU N N 15 122.650 . . 1 . . . . 792 E N . 16259 2 89 . 1 1 49 49 ALA H H 1 8.348 . . 1 . . . . 793 A H . 16259 2 90 . 1 1 49 49 ALA N N 15 124.810 . . 1 . . . . 793 A N . 16259 2 91 . 1 1 50 50 ASP H H 1 8.299 . . 1 . . . . 794 D H . 16259 2 92 . 1 1 50 50 ASP N N 15 119.483 . . 1 . . . . 794 D N . 16259 2 93 . 1 1 51 51 SER H H 1 8.130 . . 1 . . . . 795 S H . 16259 2 94 . 1 1 51 51 SER N N 15 116.895 . . 1 . . . . 795 S N . 16259 2 95 . 1 1 53 53 THR H H 1 8.280 . . 1 . . . . 797 T H . 16259 2 96 . 1 1 53 53 THR N N 15 115.468 . . 1 . . . . 797 T N . 16259 2 97 . 1 1 54 54 LEU H H 1 7.918 . . 1 . . . . 798 L H . 16259 2 98 . 1 1 54 54 LEU N N 15 130.937 . . 1 . . . . 798 L N . 16259 2 stop_ save_