data_4995 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4995 _Entry.Title ; Solution NMR Structure and Folding Dynamics of the N-terminus of a rat Non-muscle Alpha-tropomyosin in an Engineered Chimeric Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-04-20 _Entry.Accession_date 2001-04-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Norma Greenfield . J. . 4995 2 Yuanpeng Huang . Janet . 4995 3 Thomas Palm . . . 4995 4 G.V.T.S. Swapna . . . 4995 5 Daniel Monleon . . . 4995 6 Gaetano Montelione . T. . 4995 7 Sarah Hitchcock-DeGregori . E. . 4995 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4995 coupling_constants 1 4995 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 274 4995 '13C chemical shifts' 160 4995 '15N chemical shifts' 41 4995 'coupling constants' 34 4995 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-04-03 . update author 'Update the Mol_system_name.' 4995 2 . . 2001-10-17 . original author 'Original release.' 4995 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4995 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21460866 _Citation.DOI . _Citation.PubMed_ID 11575936 _Citation.Full_citation . _Citation.Title ; Solution NMR Structure and Folding Dynamics of the N-terminus of a rat Non-muscle Alpha-tropomyosin in an Engineered Chimeric Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 312 _Citation.Journal_issue 4 _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 833 _Citation.Page_last 847 _Citation.Year 2001 _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 Norma Greenfield . J. . 4995 1 2 Yuanpeng Huang . Janet . 4995 1 3 Thomas Palm . . . 4995 1 4 G.V.T.S. Swapna . . . 4995 1 5 Daniel Monleon . . . 4995 1 6 Gaetano Montelione . T. . 4995 1 7 Sarah Hitchcock-DeGregori . E. . 4995 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID tropomyosin 4995 1 GCN4 4995 1 'coiled coil' 4995 1 triple-resonance 4995 1 AutoAssign 4995 1 AutoStructure 4995 1 alpha-helix 4995 1 automatic-assignment 4995 1 folding-intermediate 4995 1 isoforms 4995 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GlyTM1bZip _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GlyTM1bZip _Assembly.Entry_ID 4995 _Assembly.ID 1 _Assembly.Name 'GlyTM1bZip coiled-coil dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4995 1 stop_ 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 'GlyTM1bZip subunit A' 1 $GlyTM1bZip . . . native . . 1 . . 4995 1 2 'GlyTM1bZip subunit B' 1 $GlyTM1bZip . . . native . . 1 . . 4995 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1IHQ . . . . . . 4995 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'GlyTM1bZip coiled-coil dimer' system 4995 1 GlyTM1bZip abbreviation 4995 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'actin thin-filament regulation' 4995 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GlyTM1bZip _Entity.Sf_category entity _Entity.Sf_framecode GlyTM1bZip _Entity.Entry_ID 4995 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GlyTM1bZip _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 ; GAGSSSLEAVRRKIRSLQEQ NYHLENEVARLKKLVGER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8644 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Residues 7-35 are a two chained coiled coil. Residues 1-6 are flexible ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15965 . TM1b(1-19)Zip . . . . . 100.00 38 100.00 100.00 3.07e-16 . . . . 4995 1 2 no PDB 1IHQ . "Glytm1bzip: A Chimeric Peptide Model Of The N-Terminus Of A Rat Short Alpha Tropomyosin With The N-Terminus Encoded By Exon 1b" . . . . . 97.37 38 100.00 100.00 2.35e-15 . . . . 4995 1 3 no PDB 2K8X . "Glytm1b(1-19)zip: A Chimeric Peptide Model Of The N-Terminus Of A Rat Short Alpha-Tropomyosin With The N-Terminus Encoded By Ex" . . . . . 100.00 38 100.00 100.00 3.07e-16 . . . . 4995 1 4 no PDB 3AZD . "Crystal Structure Of Tropomyosin N-Terminal Fragment At 0.98a Resolution" . . . . . 97.37 37 100.00 100.00 2.32e-15 . . . . 4995 1 5 no DBJ BAD92278 . "TPM1 protein variant [Homo sapiens]" . . . . . 50.00 303 100.00 100.00 2.29e-01 . . . . 4995 1 6 no DBJ BAG11063 . "tropomyosin alpha-1 chain [synthetic construct]" . . . . . 50.00 245 100.00 100.00 1.25e-01 . . . . 4995 1 7 no DBJ BAH12832 . "unnamed protein product [Homo sapiens]" . . . . . 50.00 275 100.00 100.00 1.91e-01 . . . . 4995 1 8 no DBJ BAH13458 . "unnamed protein product [Homo sapiens]" . . . . . 50.00 248 100.00 100.00 1.17e-01 . . . . 4995 1 9 no GB AAA18098 . "alpha-tropomyosin 5a [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.12e-01 . . . . 4995 1 10 no GB AAA18099 . "alpha-tropomyosin 5b [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.06e-01 . . . . 4995 1 11 no GB AAA42253 . "brain alpha-tropomyosin (TMBr-2) [Rattus norvegicus]" . . . . . 50.00 251 100.00 100.00 1.47e-01 . . . . 4995 1 12 no GB AAH50473 . "TPM1 protein, partial [Homo sapiens]" . . . . . 50.00 287 100.00 100.00 2.21e-01 . . . . 4995 1 13 no GB AAH53545 . "Tropomyosin 1 (alpha) [Homo sapiens]" . . . . . 50.00 245 100.00 100.00 1.20e-01 . . . . 4995 1 14 no REF NP_001018008 . "tropomyosin alpha-1 chain isoform Tpm1.12br [Homo sapiens]" . . . . . 50.00 245 100.00 100.00 1.20e-01 . . . . 4995 1 15 no REF NP_001029245 . "tropomyosin alpha-1 chain isoform Tpm1.8cy [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.12e-01 . . . . 4995 1 16 no REF NP_001029246 . "tropomyosin alpha-1 chain isoform Tpm1.9cy [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.06e-01 . . . . 4995 1 17 no REF NP_001029247 . "tropomyosin alpha-1 chain isoform Tpm1.13 [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.14e-01 . . . . 4995 1 18 no REF NP_001157724 . "tropomyosin alpha-1 chain isoform Tpm1.8cy [Mus musculus]" . . . . . 50.00 248 100.00 100.00 1.12e-01 . . . . 4995 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GlyTM1bZip common 4995 1 GlyTM1bZip abbreviation 4995 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 . 4995 1 2 . ALA . 4995 1 3 . GLY . 4995 1 4 . SER . 4995 1 5 . SER . 4995 1 6 . SER . 4995 1 7 . LEU . 4995 1 8 . GLU . 4995 1 9 . ALA . 4995 1 10 . VAL . 4995 1 11 . ARG . 4995 1 12 . ARG . 4995 1 13 . LYS . 4995 1 14 . ILE . 4995 1 15 . ARG . 4995 1 16 . SER . 4995 1 17 . LEU . 4995 1 18 . GLN . 4995 1 19 . GLU . 4995 1 20 . GLN . 4995 1 21 . ASN . 4995 1 22 . TYR . 4995 1 23 . HIS . 4995 1 24 . LEU . 4995 1 25 . GLU . 4995 1 26 . ASN . 4995 1 27 . GLU . 4995 1 28 . VAL . 4995 1 29 . ALA . 4995 1 30 . ARG . 4995 1 31 . LEU . 4995 1 32 . LYS . 4995 1 33 . LYS . 4995 1 34 . LEU . 4995 1 35 . VAL . 4995 1 36 . GLY . 4995 1 37 . GLU . 4995 1 38 . ARG . 4995 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 4995 1 . ALA 2 2 4995 1 . GLY 3 3 4995 1 . SER 4 4 4995 1 . SER 5 5 4995 1 . SER 6 6 4995 1 . LEU 7 7 4995 1 . GLU 8 8 4995 1 . ALA 9 9 4995 1 . VAL 10 10 4995 1 . ARG 11 11 4995 1 . ARG 12 12 4995 1 . LYS 13 13 4995 1 . ILE 14 14 4995 1 . ARG 15 15 4995 1 . SER 16 16 4995 1 . LEU 17 17 4995 1 . GLN 18 18 4995 1 . GLU 19 19 4995 1 . GLN 20 20 4995 1 . ASN 21 21 4995 1 . TYR 22 22 4995 1 . HIS 23 23 4995 1 . LEU 24 24 4995 1 . GLU 25 25 4995 1 . ASN 26 26 4995 1 . GLU 27 27 4995 1 . VAL 28 28 4995 1 . ALA 29 29 4995 1 . ARG 30 30 4995 1 . LEU 31 31 4995 1 . LYS 32 32 4995 1 . LYS 33 33 4995 1 . LEU 34 34 4995 1 . VAL 35 35 4995 1 . GLY 36 36 4995 1 . GLU 37 37 4995 1 . ARG 38 38 4995 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 4995 _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 $GlyTM1bZip . 10116 . . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . non-muscle . . . . . . . . . . . . . . . . 4995 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 4995 _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 $GlyTM1bZip . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . ; Synthethic gene prepared from oligonucleotides assmebled and amplified using Pfu DNAas polymerase. Cloned into the Vector pPROEX HTa and expressed in E.coli (DH5) ; . . 4995 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_GlyTM1bZip_(two-chained) _Sample.Sf_category sample _Sample.Sf_framecode GlyTM1bZip_(two-chained) _Sample.Entry_ID 4995 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GlyTM1bZip coiled-coil dimer' . 1 $system_GlyTM1bZip . . . . 0.6 0.5 . mM . . . . 4995 1 2 NaCl . . . . . . . 100 . . mM . . . . 4995 1 3 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4995 1 4 H2O . . . . . . . 90 . . % . . . . 4995 1 5 D2O . . . . . . . 10 . . % . . . . 4995 1 stop_ save_ save_15N-GlyTM1bZip _Sample.Sf_category sample _Sample.Sf_framecode 15N-GlyTM1bZip _Sample.Entry_ID 4995 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GlyTM1bZip coiled-coil dimer' '[U-99% 15N]' 1 $system_GlyTM1bZip . . . . . 0.5 2.0 mM . . . . 4995 2 2 NaCl . . . . . . . 100 . . mM . . . . 4995 2 3 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4995 2 4 H2O . . . . . . . 90 . . % . . . . 4995 2 5 D2O . . . . . . . 10 . . % . . . . 4995 2 stop_ save_ save_15N_13C-GlyTM1bZip _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C-GlyTM1bZip _Sample.Entry_ID 4995 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GlyTM1bZip coiled-coil dimer' '[U-99% 13C; U-99% 15N]' 1 $system_GlyTM1bZip . . . . 0.8 . . mM . . . . 4995 3 2 NaCl . . . . . . . 100 . . mM . . . . 4995 3 3 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4995 3 4 H2O . . . . . . . 90 . . % . . . . 4995 3 5 D2O . . . . . . . 10 . . % . . . . 4995 3 stop_ save_ save_GlyTM1bZip_heterodimer _Sample.Sf_category sample _Sample.Sf_framecode GlyTM1bZip_heterodimer _Sample.Entry_ID 4995 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GlyTM1bZip coiled-coil dimer' . 1 $system_GlyTM1bZip . . . . 1.32 . . mM . . . . 4995 4 2 'GlyTM1bZip coiled-coil dimer' '[U-99% 13C; U-99% 15N]' 1 $system_GlyTM1bZip . . . . 0.88 . . mM . . . . 4995 4 3 NaCl . . . . . . . 100 . . mM . . . . 4995 4 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4995 4 5 H2O . . . . . . . 90 . . % . . . . 4995 4 6 D2O . . . . . . . 10 . . % . . . . 4995 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4995 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.1 n/a 4995 1 temperature 281 0.2 K 4995 1 'ionic strength' 0.12 0.01 M 4995 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4995 _Software.ID 1 _Software.Name VNMR _Software.Version 5.3B _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Processing' 4995 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 4995 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.74 _Software.Details 'T. Goddard and T. Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Peak Picking' 4995 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 4995 _Software.ID 3 _Software.Name AutoAssign _Software.Version 1.5 _Software.Details ; Zimmerman, D., Kulikowski, C.A, Huang, Y., Reng, W., Tashiro, M., Shimotakahara, S., Chien, C., Powers, R. and Montelione, G.T. J. Mol. Biol. 269, 592-610 In-house developed software for automatically assigning the carbonyl, alpha and beta carbons and backbone nitrogen chemical shifts. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automatic Assignments' 4995 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 4995 _Software.ID 4 _Software.Name AutoStructure _Software.Version 1.0 _Software.Details ; Y.J. Huang, R. Tejero and G.T. Montelione unpublished In-house developed iterative program for automatic assignments of NOESY cross-peaks and structure determination. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automatic Assignments of NOESY peaks' 4995 4 'Structure determination' 4995 4 stop_ save_ save_Dyana _Software.Sf_category software _Software.Sf_framecode Dyana _Software.Entry_ID 4995 _Software.ID 5 _Software.Name Dyana _Software.Version 1.5 _Software.Details ; Guntert, P., Mumenthaler, C. and Wuthrich, K. (1977) J. Mol. Biol. 273, 283-298 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure determination using torsion angle dynamics' 4995 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4995 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4995 _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 NMR_spectrometer Varian INOVA . 500 . . . 4995 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 4995 _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 '15N-1H HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 2 '13C-!H HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 4 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 5 2QF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 7 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 8 CANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 9 H(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 10 H(CA)(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 11 (CA)(C0)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 12 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 13 CNCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 14 H_HCC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 15 C_HCC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 16 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 17 '15N edited PFG NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 18 '13C edited PFG NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 19 '13C X-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 20 '13C-15N X-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4995 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C-!H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 2QF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name H(CA)(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name (CA)(C0)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name CNCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name H_HCC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name C_HCC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '15N edited PFG NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '13C edited PFG NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '13C X-filtered NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' save_ save_NMR_spec_expt__0_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_20 _NMR_spec_expt.Entry_ID 4995 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '13C-15N X-filtered NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'four channels' 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 4995 _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 0.0 internal direct 1.0 . . . . . . . . . 4995 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4995 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4995 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 4995 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _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 . . 3 $15N_13C-GlyTM1bZip . 4995 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 GLY HA2 H 1 3.91 0.02 . 1 . . . . . . . . 4995 1 2 . 1 1 1 1 GLY HA3 H 1 3.91 0.02 . 1 . . . . . . . . 4995 1 3 . 1 1 1 1 GLY C C 13 170.1 0.05 . 1 . . . . . . . . 4995 1 4 . 1 1 1 1 GLY CA C 13 43.1 0.05 . 1 . . . . . . . . 4995 1 5 . 1 1 2 2 ALA H H 1 8.81 0.02 . 1 . . . . . . . . 4995 1 6 . 1 1 2 2 ALA HA H 1 4.41 0.02 . 1 . . . . . . . . 4995 1 7 . 1 1 2 2 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4995 1 8 . 1 1 2 2 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4995 1 9 . 1 1 2 2 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4995 1 10 . 1 1 2 2 ALA C C 13 178.5 0.05 . 1 . . . . . . . . 4995 1 11 . 1 1 2 2 ALA CA C 13 52.5 0.05 . 1 . . . . . . . . 4995 1 12 . 1 1 2 2 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 4995 1 13 . 1 1 2 2 ALA N N 15 124 0.05 . 1 . . . . . . . . 4995 1 14 . 1 1 3 3 GLY H H 1 8.73 0.02 . 1 . . . . . . . . 4995 1 15 . 1 1 3 3 GLY HA2 H 1 4.05 0.02 . 1 . . . . . . . . 4995 1 16 . 1 1 3 3 GLY HA3 H 1 4.05 0.02 . 1 . . . . . . . . 4995 1 17 . 1 1 3 3 GLY C C 13 174.6 0.05 . 1 . . . . . . . . 4995 1 18 . 1 1 3 3 GLY CA C 13 45.1 0.05 . 1 . . . . . . . . 4995 1 19 . 1 1 3 3 GLY N N 15 108.9 0.05 . 1 . . . . . . . . 4995 1 20 . 1 1 4 4 SER H H 1 8.41 0.02 . 1 . . . . . . . . 4995 1 21 . 1 1 4 4 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4995 1 22 . 1 1 4 4 SER HB2 H 1 3.96 0.02 . 2 . . . . . . . . 4995 1 23 . 1 1 4 4 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . 4995 1 24 . 1 1 4 4 SER C C 13 175.2 0.05 . 1 . . . . . . . . 4995 1 25 . 1 1 4 4 SER CA C 13 58.4 0.05 . 1 . . . . . . . . 4995 1 26 . 1 1 4 4 SER CB C 13 63.4 0.05 . 1 . . . . . . . . 4995 1 27 . 1 1 4 4 SER N N 15 116 0.05 . 1 . . . . . . . . 4995 1 28 . 1 1 5 5 SER H H 1 8.64 0.02 . 1 . . . . . . . . 4995 1 29 . 1 1 5 5 SER HA H 1 4.53 0.02 . 1 . . . . . . . . 4995 1 30 . 1 1 5 5 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 4995 1 31 . 1 1 5 5 SER HB3 H 1 3.98 0.02 . 1 . . . . . . . . 4995 1 32 . 1 1 5 5 SER C C 13 175.4 0.05 . 1 . . . . . . . . 4995 1 33 . 1 1 5 5 SER CA C 13 58.6 0.05 . 1 . . . . . . . . 4995 1 34 . 1 1 5 5 SER CB C 13 63.2 0.05 . 1 . . . . . . . . 4995 1 35 . 1 1 5 5 SER N N 15 118.5 0.05 . 1 . . . . . . . . 4995 1 36 . 1 1 6 6 SER H H 1 8.45 0.02 . 1 . . . . . . . . 4995 1 37 . 1 1 6 6 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 4995 1 38 . 1 1 6 6 SER HB2 H 1 4.09 0.02 . 2 . . . . . . . . 4995 1 39 . 1 1 6 6 SER HB3 H 1 3.94 0.02 . 2 . . . . . . . . 4995 1 40 . 1 1 6 6 SER C C 13 175.4 0.05 . 1 . . . . . . . . 4995 1 41 . 1 1 6 6 SER CA C 13 58.9 0.05 . 1 . . . . . . . . 4995 1 42 . 1 1 6 6 SER CB C 13 63.3 0.05 . 1 . . . . . . . . 4995 1 43 . 1 1 6 6 SER N N 15 118.8 0.05 . 1 . . . . . . . . 4995 1 44 . 1 1 7 7 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 4995 1 45 . 1 1 7 7 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4995 1 46 . 1 1 7 7 LEU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4995 1 47 . 1 1 7 7 LEU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4995 1 48 . 1 1 7 7 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4995 1 49 . 1 1 7 7 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 50 . 1 1 7 7 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 51 . 1 1 7 7 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 52 . 1 1 7 7 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 53 . 1 1 7 7 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 54 . 1 1 7 7 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 55 . 1 1 7 7 LEU C C 13 178.5 0.05 . 1 . . . . . . . . 4995 1 56 . 1 1 7 7 LEU CA C 13 57.1 0.05 . 1 . . . . . . . . 4995 1 57 . 1 1 7 7 LEU CB C 13 41.6 0.05 . 1 . . . . . . . . 4995 1 58 . 1 1 7 7 LEU CD1 C 13 23.7 0.05 . 2 . . . . . . . . 4995 1 59 . 1 1 7 7 LEU CD2 C 13 30.4 0.05 . 2 . . . . . . . . 4995 1 60 . 1 1 7 7 LEU N N 15 123.9 0.05 . 1 . . . . . . . . 4995 1 61 . 1 1 8 8 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 4995 1 62 . 1 1 8 8 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4995 1 63 . 1 1 8 8 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4995 1 64 . 1 1 8 8 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4995 1 65 . 1 1 8 8 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 4995 1 66 . 1 1 8 8 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 4995 1 67 . 1 1 8 8 GLU C C 13 178.7 0.05 . 1 . . . . . . . . 4995 1 68 . 1 1 8 8 GLU CA C 13 59.2 0.05 . 1 . . . . . . . . 4995 1 69 . 1 1 8 8 GLU CB C 13 28.8 0.05 . 1 . . . . . . . . 4995 1 70 . 1 1 8 8 GLU CG C 13 35.8 0.05 . 1 . . . . . . . . 4995 1 71 . 1 1 8 8 GLU N N 15 118.8 0.05 . 1 . . . . . . . . 4995 1 72 . 1 1 9 9 ALA H H 1 8.04 0.02 . 1 . . . . . . . . 4995 1 73 . 1 1 9 9 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 4995 1 74 . 1 1 9 9 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4995 1 75 . 1 1 9 9 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4995 1 76 . 1 1 9 9 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4995 1 77 . 1 1 9 9 ALA C C 13 181.3 0.05 . 1 . . . . . . . . 4995 1 78 . 1 1 9 9 ALA CA C 13 55.1 0.05 . 1 . . . . . . . . 4995 1 79 . 1 1 9 9 ALA CB C 13 17.9 0.05 . 1 . . . . . . . . 4995 1 80 . 1 1 9 9 ALA N N 15 121.7 0.05 . 1 . . . . . . . . 4995 1 81 . 1 1 10 10 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 4995 1 82 . 1 1 10 10 VAL HA H 1 3.85 0.02 . 1 . . . . . . . . 4995 1 83 . 1 1 10 10 VAL HB H 1 2.22 0.02 . 1 . . . . . . . . 4995 1 84 . 1 1 10 10 VAL HG11 H 1 1.13 0.02 . 2 . . . . . . . . 4995 1 85 . 1 1 10 10 VAL HG12 H 1 1.13 0.02 . 2 . . . . . . . . 4995 1 86 . 1 1 10 10 VAL HG13 H 1 1.13 0.02 . 2 . . . . . . . . 4995 1 87 . 1 1 10 10 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 88 . 1 1 10 10 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 89 . 1 1 10 10 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 90 . 1 1 10 10 VAL C C 13 178 0.05 . 1 . . . . . . . . 4995 1 91 . 1 1 10 10 VAL CA C 13 65.8 0.05 . 1 . . . . . . . . 4995 1 92 . 1 1 10 10 VAL CB C 13 31.5 0.05 . 1 . . . . . . . . 4995 1 93 . 1 1 10 10 VAL CG1 C 13 21.9 0.05 . 2 . . . . . . . . 4995 1 94 . 1 1 10 10 VAL CG2 C 13 22.2 0.05 . 2 . . . . . . . . 4995 1 95 . 1 1 10 10 VAL N N 15 118.7 0.05 . 1 . . . . . . . . 4995 1 96 . 1 1 11 11 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 4995 1 97 . 1 1 11 11 ARG HA H 1 3.98 0.02 . 1 . . . . . . . . 4995 1 98 . 1 1 11 11 ARG HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4995 1 99 . 1 1 11 11 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4995 1 100 . 1 1 11 11 ARG HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4995 1 101 . 1 1 11 11 ARG HG3 H 1 1.8 0.02 . 2 . . . . . . . . 4995 1 102 . 1 1 11 11 ARG HD2 H 1 3.2 0.02 . 1 . . . . . . . . 4995 1 103 . 1 1 11 11 ARG HD3 H 1 3.2 0.02 . 1 . . . . . . . . 4995 1 104 . 1 1 11 11 ARG C C 13 179.6 0.05 . 1 . . . . . . . . 4995 1 105 . 1 1 11 11 ARG CA C 13 59.7 0.05 . 1 . . . . . . . . 4995 1 106 . 1 1 11 11 ARG CB C 13 29.9 0.05 . 1 . . . . . . . . 4995 1 107 . 1 1 11 11 ARG CG C 13 27.9 0.05 . 1 . . . . . . . . 4995 1 108 . 1 1 11 11 ARG CD C 13 43.4 0.05 . 1 . . . . . . . . 4995 1 109 . 1 1 11 11 ARG N N 15 120.1 0.05 . 1 . . . . . . . . 4995 1 110 . 1 1 12 12 ARG H H 1 8.1 0.02 . 1 . . . . . . . . 4995 1 111 . 1 1 12 12 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 4995 1 112 . 1 1 12 12 ARG HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4995 1 113 . 1 1 12 12 ARG HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4995 1 114 . 1 1 12 12 ARG HG2 H 1 1.67 0.02 . 2 . . . . . . . . 4995 1 115 . 1 1 12 12 ARG HG3 H 1 1.87 0.02 . 2 . . . . . . . . 4995 1 116 . 1 1 12 12 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 4995 1 117 . 1 1 12 12 ARG HD3 H 1 3.24 0.02 . 1 . . . . . . . . 4995 1 118 . 1 1 12 12 ARG C C 13 178.8 0.05 . 1 . . . . . . . . 4995 1 119 . 1 1 12 12 ARG CA C 13 59.3 0.05 . 1 . . . . . . . . 4995 1 120 . 1 1 12 12 ARG CB C 13 29.9 0.05 . 1 . . . . . . . . 4995 1 121 . 1 1 12 12 ARG CG C 13 27.6 0.05 . 1 . . . . . . . . 4995 1 122 . 1 1 12 12 ARG CD C 13 43.2 0.05 . 1 . . . . . . . . 4995 1 123 . 1 1 12 12 ARG N N 15 119.4 0.05 . 1 . . . . . . . . 4995 1 124 . 1 1 13 13 LYS H H 1 7.84 0.02 . 1 . . . . . . . . 4995 1 125 . 1 1 13 13 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 4995 1 126 . 1 1 13 13 LYS HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4995 1 127 . 1 1 13 13 LYS HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4995 1 128 . 1 1 13 13 LYS HG2 H 1 1.54 0.02 . 1 . . . . . . . . 4995 1 129 . 1 1 13 13 LYS HG3 H 1 1.54 0.02 . 1 . . . . . . . . 4995 1 130 . 1 1 13 13 LYS HD2 H 1 1.76 0.02 . 1 . . . . . . . . 4995 1 131 . 1 1 13 13 LYS HD3 H 1 1.76 0.02 . 1 . . . . . . . . 4995 1 132 . 1 1 13 13 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 4995 1 133 . 1 1 13 13 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 4995 1 134 . 1 1 13 13 LYS C C 13 178.8 0.05 . 1 . . . . . . . . 4995 1 135 . 1 1 13 13 LYS CA C 13 58.8 0.05 . 1 . . . . . . . . 4995 1 136 . 1 1 13 13 LYS CB C 13 31.8 0.05 . 1 . . . . . . . . 4995 1 137 . 1 1 13 13 LYS CG C 13 24.6 0.05 . 1 . . . . . . . . 4995 1 138 . 1 1 13 13 LYS CD C 13 29.2 0.05 . 1 . . . . . . . . 4995 1 139 . 1 1 13 13 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 4995 1 140 . 1 1 13 13 LYS N N 15 121.9 0.05 . 1 . . . . . . . . 4995 1 141 . 1 1 14 14 ILE H H 1 8.38 0.02 . 1 . . . . . . . . 4995 1 142 . 1 1 14 14 ILE HA H 1 3.6 0.02 . 1 . . . . . . . . 4995 1 143 . 1 1 14 14 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 4995 1 144 . 1 1 14 14 ILE HG12 H 1 1.81 0.02 . 2 . . . . . . . . 4995 1 145 . 1 1 14 14 ILE HG13 H 1 1.67 0.02 . 2 . . . . . . . . 4995 1 146 . 1 1 14 14 ILE HG21 H 1 0.9 0.02 . 1 . . . . . . . . 4995 1 147 . 1 1 14 14 ILE HG22 H 1 0.9 0.02 . 1 . . . . . . . . 4995 1 148 . 1 1 14 14 ILE HG23 H 1 0.9 0.02 . 1 . . . . . . . . 4995 1 149 . 1 1 14 14 ILE HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4995 1 150 . 1 1 14 14 ILE HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4995 1 151 . 1 1 14 14 ILE HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4995 1 152 . 1 1 14 14 ILE C C 13 177.1 0.05 . 1 . . . . . . . . 4995 1 153 . 1 1 14 14 ILE CA C 13 65.6 0.05 . 1 . . . . . . . . 4995 1 154 . 1 1 14 14 ILE CB C 13 37.4 0.05 . 1 . . . . . . . . 4995 1 155 . 1 1 14 14 ILE CG1 C 13 30.6 0.05 . 1 . . . . . . . . 4995 1 156 . 1 1 14 14 ILE CG2 C 13 16.3 0.05 . 1 . . . . . . . . 4995 1 157 . 1 1 14 14 ILE CD1 C 13 13.8 0.05 . 1 . . . . . . . . 4995 1 158 . 1 1 14 14 ILE N N 15 119.5 0.05 . 1 . . . . . . . . 4995 1 159 . 1 1 15 15 ARG H H 1 7.79 0.02 . 1 . . . . . . . . 4995 1 160 . 1 1 15 15 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 4995 1 161 . 1 1 15 15 ARG HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4995 1 162 . 1 1 15 15 ARG HB3 H 1 1.34 0.02 . 2 . . . . . . . . 4995 1 163 . 1 1 15 15 ARG HG2 H 1 1.83 0.02 . 2 . . . . . . . . 4995 1 164 . 1 1 15 15 ARG HG3 H 1 1.67 0.02 . 2 . . . . . . . . 4995 1 165 . 1 1 15 15 ARG HD2 H 1 3.28 0.02 . 1 . . . . . . . . 4995 1 166 . 1 1 15 15 ARG HD3 H 1 3.28 0.02 . 1 . . . . . . . . 4995 1 167 . 1 1 15 15 ARG C C 13 179.1 0.05 . 1 . . . . . . . . 4995 1 168 . 1 1 15 15 ARG CA C 13 59.1 0.05 . 1 . . . . . . . . 4995 1 169 . 1 1 15 15 ARG CB C 13 29.6 0.05 . 1 . . . . . . . . 4995 1 170 . 1 1 15 15 ARG CG C 13 27.3 0.05 . 1 . . . . . . . . 4995 1 171 . 1 1 15 15 ARG CD C 13 43.1 0.05 . 1 . . . . . . . . 4995 1 172 . 1 1 15 15 ARG N N 15 119.1 0.05 . 1 . . . . . . . . 4995 1 173 . 1 1 16 16 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4995 1 174 . 1 1 16 16 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4995 1 175 . 1 1 16 16 SER HB2 H 1 4.08 0.02 . 1 . . . . . . . . 4995 1 176 . 1 1 16 16 SER HB3 H 1 4.08 0.02 . 1 . . . . . . . . 4995 1 177 . 1 1 16 16 SER C C 13 177.7 0.05 . 1 . . . . . . . . 4995 1 178 . 1 1 16 16 SER CA C 13 61.3 0.05 . 1 . . . . . . . . 4995 1 179 . 1 1 16 16 SER CB C 13 62.6 0.05 . 1 . . . . . . . . 4995 1 180 . 1 1 16 16 SER N N 15 114.3 0.05 . 1 . . . . . . . . 4995 1 181 . 1 1 17 17 LEU H H 1 8.4 0.02 . 1 . . . . . . . . 4995 1 182 . 1 1 17 17 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4995 1 183 . 1 1 17 17 LEU HB2 H 1 1.34 0.02 . 2 . . . . . . . . 4995 1 184 . 1 1 17 17 LEU HB3 H 1 2.13 0.02 . 2 . . . . . . . . 4995 1 185 . 1 1 17 17 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4995 1 186 . 1 1 17 17 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 187 . 1 1 17 17 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 188 . 1 1 17 17 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 189 . 1 1 17 17 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 190 . 1 1 17 17 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 191 . 1 1 17 17 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 192 . 1 1 17 17 LEU C C 13 179.6 0.05 . 1 . . . . . . . . 4995 1 193 . 1 1 17 17 LEU CA C 13 57.7 0.05 . 1 . . . . . . . . 4995 1 194 . 1 1 17 17 LEU CB C 13 43.2 0.05 . 1 . . . . . . . . 4995 1 195 . 1 1 17 17 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 4995 1 196 . 1 1 17 17 LEU CD1 C 13 27.4 0.05 . 2 . . . . . . . . 4995 1 197 . 1 1 17 17 LEU CD2 C 13 30.4 0.05 . 2 . . . . . . . . 4995 1 198 . 1 1 17 17 LEU N N 15 122.9 0.05 . 1 . . . . . . . . 4995 1 199 . 1 1 18 18 GLN H H 1 8.84 0.02 . 1 . . . . . . . . 4995 1 200 . 1 1 18 18 GLN HA H 1 4.01 0.02 . 1 . . . . . . . . 4995 1 201 . 1 1 18 18 GLN HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4995 1 202 . 1 1 18 18 GLN HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4995 1 203 . 1 1 18 18 GLN HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4995 1 204 . 1 1 18 18 GLN HG3 H 1 2.59 0.02 . 2 . . . . . . . . 4995 1 205 . 1 1 18 18 GLN HE21 H 1 6.89 0.02 . 2 . . . . . . . . 4995 1 206 . 1 1 18 18 GLN HE22 H 1 7.24 0.02 . 2 . . . . . . . . 4995 1 207 . 1 1 18 18 GLN C C 13 179.2 0.05 . 1 . . . . . . . . 4995 1 208 . 1 1 18 18 GLN CA C 13 59.2 0.05 . 1 . . . . . . . . 4995 1 209 . 1 1 18 18 GLN CB C 13 28.2 0.05 . 1 . . . . . . . . 4995 1 210 . 1 1 18 18 GLN CG C 13 34.9 0.05 . 1 . . . . . . . . 4995 1 211 . 1 1 18 18 GLN N N 15 119.9 0.05 . 1 . . . . . . . . 4995 1 212 . 1 1 18 18 GLN NE2 N 15 111.7 0.05 . 1 . . . . . . . . 4995 1 213 . 1 1 19 19 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 4995 1 214 . 1 1 19 19 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4995 1 215 . 1 1 19 19 GLU HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4995 1 216 . 1 1 19 19 GLU HB3 H 1 2 0.02 . 2 . . . . . . . . 4995 1 217 . 1 1 19 19 GLU HG2 H 1 2.55 0.02 . 2 . . . . . . . . 4995 1 218 . 1 1 19 19 GLU HG3 H 1 2.35 0.02 . 2 . . . . . . . . 4995 1 219 . 1 1 19 19 GLU C C 13 179.5 0.05 . 1 . . . . . . . . 4995 1 220 . 1 1 19 19 GLU CA C 13 59.4 0.05 . 1 . . . . . . . . 4995 1 221 . 1 1 19 19 GLU CB C 13 29 0.05 . 1 . . . . . . . . 4995 1 222 . 1 1 19 19 GLU CG C 13 36.5 0.05 . 1 . . . . . . . . 4995 1 223 . 1 1 19 19 GLU N N 15 120.6 0.05 . 1 . . . . . . . . 4995 1 224 . 1 1 20 20 GLN H H 1 8.36 0.02 . 1 . . . . . . . . 4995 1 225 . 1 1 20 20 GLN HA H 1 4.32 0.02 . 1 . . . . . . . . 4995 1 226 . 1 1 20 20 GLN HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4995 1 227 . 1 1 20 20 GLN HB3 H 1 2.25 0.02 . 2 . . . . . . . . 4995 1 228 . 1 1 20 20 GLN HG2 H 1 2.48 0.02 . 2 . . . . . . . . 4995 1 229 . 1 1 20 20 GLN HG3 H 1 2.64 0.02 . 2 . . . . . . . . 4995 1 230 . 1 1 20 20 GLN HE21 H 1 6.93 0.02 . 2 . . . . . . . . 4995 1 231 . 1 1 20 20 GLN HE22 H 1 7.48 0.02 . 2 . . . . . . . . 4995 1 232 . 1 1 20 20 GLN C C 13 178.4 0.05 . 1 . . . . . . . . 4995 1 233 . 1 1 20 20 GLN CA C 13 58.7 0.05 . 1 . . . . . . . . 4995 1 234 . 1 1 20 20 GLN CB C 13 28.4 0.05 . 1 . . . . . . . . 4995 1 235 . 1 1 20 20 GLN CG C 13 33.5 0.05 . 1 . . . . . . . . 4995 1 236 . 1 1 20 20 GLN N N 15 120.1 0.05 . 1 . . . . . . . . 4995 1 237 . 1 1 20 20 GLN NE2 N 15 111.2 0.05 . 1 . . . . . . . . 4995 1 238 . 1 1 21 21 ASN H H 1 8.74 0.02 . 1 . . . . . . . . 4995 1 239 . 1 1 21 21 ASN HA H 1 4.41 0.02 . 1 . . . . . . . . 4995 1 240 . 1 1 21 21 ASN HB2 H 1 3.23 0.02 . 2 . . . . . . . . 4995 1 241 . 1 1 21 21 ASN HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4995 1 242 . 1 1 21 21 ASN HD21 H 1 6.8 0.02 . 2 . . . . . . . . 4995 1 243 . 1 1 21 21 ASN HD22 H 1 7.64 0.02 . 2 . . . . . . . . 4995 1 244 . 1 1 21 21 ASN C C 13 176.7 0.05 . 1 . . . . . . . . 4995 1 245 . 1 1 21 21 ASN CA C 13 56.8 0.05 . 1 . . . . . . . . 4995 1 246 . 1 1 21 21 ASN CB C 13 38.3 0.05 . 1 . . . . . . . . 4995 1 247 . 1 1 21 21 ASN N N 15 120.3 0.05 . 1 . . . . . . . . 4995 1 248 . 1 1 21 21 ASN ND2 N 15 106.4 0.05 . 1 . . . . . . . . 4995 1 249 . 1 1 22 22 TYR H H 1 8.15 0.02 . 1 . . . . . . . . 4995 1 250 . 1 1 22 22 TYR HA H 1 4.45 0.02 . 1 . . . . . . . . 4995 1 251 . 1 1 22 22 TYR HB2 H 1 3.24 0.02 . 1 . . . . . . . . 4995 1 252 . 1 1 22 22 TYR HB3 H 1 3.24 0.02 . 1 . . . . . . . . 4995 1 253 . 1 1 22 22 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 4995 1 254 . 1 1 22 22 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 4995 1 255 . 1 1 22 22 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 4995 1 256 . 1 1 22 22 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 4995 1 257 . 1 1 22 22 TYR C C 13 178.2 0.05 . 1 . . . . . . . . 4995 1 258 . 1 1 22 22 TYR CA C 13 60.2 0.05 . 1 . . . . . . . . 4995 1 259 . 1 1 22 22 TYR CB C 13 37.8 0.05 . 1 . . . . . . . . 4995 1 260 . 1 1 22 22 TYR N N 15 120.1 0.05 . 1 . . . . . . . . 4995 1 261 . 1 1 23 23 HIS H H 1 7.94 0.02 . 1 . . . . . . . . 4995 1 262 . 1 1 23 23 HIS HA H 1 4.44 0.02 . 1 . . . . . . . . 4995 1 263 . 1 1 23 23 HIS HB2 H 1 3.4 0.02 . 1 . . . . . . . . 4995 1 264 . 1 1 23 23 HIS HB3 H 1 3.4 0.02 . 1 . . . . . . . . 4995 1 265 . 1 1 23 23 HIS HD2 H 1 7.14 0.02 . 1 . . . . . . . . 4995 1 266 . 1 1 23 23 HIS HE1 H 1 7.93 0.02 . 1 . . . . . . . . 4995 1 267 . 1 1 23 23 HIS C C 13 178.4 0.05 . 1 . . . . . . . . 4995 1 268 . 1 1 23 23 HIS CA C 13 58.9 0.05 . 1 . . . . . . . . 4995 1 269 . 1 1 23 23 HIS CB C 13 28.7 0.05 . 1 . . . . . . . . 4995 1 270 . 1 1 23 23 HIS N N 15 117.7 0.05 . 1 . . . . . . . . 4995 1 271 . 1 1 24 24 LEU H H 1 8.68 0.02 . 1 . . . . . . . . 4995 1 272 . 1 1 24 24 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 4995 1 273 . 1 1 24 24 LEU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 4995 1 274 . 1 1 24 24 LEU HB3 H 1 1.36 0.02 . 2 . . . . . . . . 4995 1 275 . 1 1 24 24 LEU HG H 1 1.98 0.02 . 1 . . . . . . . . 4995 1 276 . 1 1 24 24 LEU HD11 H 1 1.05 0.02 . 2 . . . . . . . . 4995 1 277 . 1 1 24 24 LEU HD12 H 1 1.05 0.02 . 2 . . . . . . . . 4995 1 278 . 1 1 24 24 LEU HD13 H 1 1.05 0.02 . 2 . . . . . . . . 4995 1 279 . 1 1 24 24 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 4995 1 280 . 1 1 24 24 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 4995 1 281 . 1 1 24 24 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 4995 1 282 . 1 1 24 24 LEU C C 13 178.9 0.05 . 1 . . . . . . . . 4995 1 283 . 1 1 24 24 LEU CA C 13 58 0.05 . 1 . . . . . . . . 4995 1 284 . 1 1 24 24 LEU CB C 13 43.4 0.05 . 1 . . . . . . . . 4995 1 285 . 1 1 24 24 LEU CG C 13 27 0.05 . 1 . . . . . . . . 4995 1 286 . 1 1 24 24 LEU CD1 C 13 26.5 0.05 . 2 . . . . . . . . 4995 1 287 . 1 1 24 24 LEU CD2 C 13 21.5 0.05 . 2 . . . . . . . . 4995 1 288 . 1 1 24 24 LEU N N 15 120.7 0.05 . 1 . . . . . . . . 4995 1 289 . 1 1 25 25 GLU H H 1 8.9 0.02 . 1 . . . . . . . . 4995 1 290 . 1 1 25 25 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 4995 1 291 . 1 1 25 25 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4995 1 292 . 1 1 25 25 GLU HB3 H 1 2 0.02 . 2 . . . . . . . . 4995 1 293 . 1 1 25 25 GLU HG2 H 1 2.52 0.02 . 2 . . . . . . . . 4995 1 294 . 1 1 25 25 GLU HG3 H 1 2.31 0.02 . 2 . . . . . . . . 4995 1 295 . 1 1 25 25 GLU C C 13 180.4 0.05 . 1 . . . . . . . . 4995 1 296 . 1 1 25 25 GLU CA C 13 59.7 0.05 . 1 . . . . . . . . 4995 1 297 . 1 1 25 25 GLU CB C 13 28.9 0.05 . 1 . . . . . . . . 4995 1 298 . 1 1 25 25 GLU CG C 13 36.4 0.05 . 1 . . . . . . . . 4995 1 299 . 1 1 25 25 GLU N N 15 119.8 0.05 . 1 . . . . . . . . 4995 1 300 . 1 1 26 26 ASN H H 1 7.85 0.02 . 1 . . . . . . . . 4995 1 301 . 1 1 26 26 ASN HA H 1 4.47 0.02 . 1 . . . . . . . . 4995 1 302 . 1 1 26 26 ASN HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4995 1 303 . 1 1 26 26 ASN HB3 H 1 2.95 0.02 . 2 . . . . . . . . 4995 1 304 . 1 1 26 26 ASN HD21 H 1 5.86 0.02 . 2 . . . . . . . . 4995 1 305 . 1 1 26 26 ASN HD22 H 1 7.51 0.02 . 2 . . . . . . . . 4995 1 306 . 1 1 26 26 ASN C C 13 178.1 0.05 . 1 . . . . . . . . 4995 1 307 . 1 1 26 26 ASN CA C 13 55.8 0.05 . 1 . . . . . . . . 4995 1 308 . 1 1 26 26 ASN CB C 13 37.5 0.05 . 1 . . . . . . . . 4995 1 309 . 1 1 26 26 ASN N N 15 119.2 0.05 . 1 . . . . . . . . 4995 1 310 . 1 1 26 26 ASN ND2 N 15 111.6 0.05 . 1 . . . . . . . . 4995 1 311 . 1 1 27 27 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 4995 1 312 . 1 1 27 27 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 4995 1 313 . 1 1 27 27 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4995 1 314 . 1 1 27 27 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4995 1 315 . 1 1 27 27 GLU HG2 H 1 2.58 0.02 . 2 . . . . . . . . 4995 1 316 . 1 1 27 27 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 4995 1 317 . 1 1 27 27 GLU C C 13 178.2 0.05 . 1 . . . . . . . . 4995 1 318 . 1 1 27 27 GLU CA C 13 58.4 0.05 . 1 . . . . . . . . 4995 1 319 . 1 1 27 27 GLU CB C 13 30 0.05 . 1 . . . . . . . . 4995 1 320 . 1 1 27 27 GLU CG C 13 35.7 0.05 . 1 . . . . . . . . 4995 1 321 . 1 1 27 27 GLU N N 15 124.1 0.05 . 1 . . . . . . . . 4995 1 322 . 1 1 28 28 VAL H H 1 8.77 0.02 . 1 . . . . . . . . 4995 1 323 . 1 1 28 28 VAL HA H 1 3.41 0.02 . 1 . . . . . . . . 4995 1 324 . 1 1 28 28 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 4995 1 325 . 1 1 28 28 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 326 . 1 1 28 28 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 327 . 1 1 28 28 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 328 . 1 1 28 28 VAL HG21 H 1 1.07 0.02 . 2 . . . . . . . . 4995 1 329 . 1 1 28 28 VAL HG22 H 1 1.07 0.02 . 2 . . . . . . . . 4995 1 330 . 1 1 28 28 VAL HG23 H 1 1.07 0.02 . 2 . . . . . . . . 4995 1 331 . 1 1 28 28 VAL C C 13 177.6 0.05 . 1 . . . . . . . . 4995 1 332 . 1 1 28 28 VAL CA C 13 67.6 0.05 . 1 . . . . . . . . 4995 1 333 . 1 1 28 28 VAL CB C 13 31.4 0.05 . 1 . . . . . . . . 4995 1 334 . 1 1 28 28 VAL CG1 C 13 23.1 0.05 . 2 . . . . . . . . 4995 1 335 . 1 1 28 28 VAL CG2 C 13 25.3 0.05 . 2 . . . . . . . . 4995 1 336 . 1 1 28 28 VAL N N 15 120.4 0.05 . 1 . . . . . . . . 4995 1 337 . 1 1 29 29 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 4995 1 338 . 1 1 29 29 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 4995 1 339 . 1 1 29 29 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 4995 1 340 . 1 1 29 29 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 4995 1 341 . 1 1 29 29 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 4995 1 342 . 1 1 29 29 ALA C C 13 180.5 0.05 . 1 . . . . . . . . 4995 1 343 . 1 1 29 29 ALA CA C 13 55 0.05 . 1 . . . . . . . . 4995 1 344 . 1 1 29 29 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . 4995 1 345 . 1 1 29 29 ALA N N 15 119.9 0.05 . 1 . . . . . . . . 4995 1 346 . 1 1 30 30 ARG H H 1 8.06 0.02 . 1 . . . . . . . . 4995 1 347 . 1 1 30 30 ARG HA H 1 4 0.02 . 1 . . . . . . . . 4995 1 348 . 1 1 30 30 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4995 1 349 . 1 1 30 30 ARG HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4995 1 350 . 1 1 30 30 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 4995 1 351 . 1 1 30 30 ARG HG3 H 1 1.36 0.02 . 2 . . . . . . . . 4995 1 352 . 1 1 30 30 ARG HD2 H 1 3.48 0.02 . 2 . . . . . . . . 4995 1 353 . 1 1 30 30 ARG HD3 H 1 3.01 0.02 . 2 . . . . . . . . 4995 1 354 . 1 1 30 30 ARG C C 13 179.7 0.05 . 1 . . . . . . . . 4995 1 355 . 1 1 30 30 ARG CA C 13 59 0.05 . 1 . . . . . . . . 4995 1 356 . 1 1 30 30 ARG CB C 13 30.6 0.05 . 1 . . . . . . . . 4995 1 357 . 1 1 30 30 ARG CG C 13 27.3 0.05 . 1 . . . . . . . . 4995 1 358 . 1 1 30 30 ARG CD C 13 42.4 0.05 . 1 . . . . . . . . 4995 1 359 . 1 1 30 30 ARG N N 15 120.1 0.05 . 1 . . . . . . . . 4995 1 360 . 1 1 31 31 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4995 1 361 . 1 1 31 31 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4995 1 362 . 1 1 31 31 LEU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4995 1 363 . 1 1 31 31 LEU HB3 H 1 1.37 0.02 . 2 . . . . . . . . 4995 1 364 . 1 1 31 31 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4995 1 365 . 1 1 31 31 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4995 1 366 . 1 1 31 31 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4995 1 367 . 1 1 31 31 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4995 1 368 . 1 1 31 31 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 369 . 1 1 31 31 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 370 . 1 1 31 31 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 371 . 1 1 31 31 LEU C C 13 179.3 0.05 . 1 . . . . . . . . 4995 1 372 . 1 1 31 31 LEU CA C 13 57.5 0.05 . 1 . . . . . . . . 4995 1 373 . 1 1 31 31 LEU CB C 13 43.7 0.05 . 1 . . . . . . . . 4995 1 374 . 1 1 31 31 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 4995 1 375 . 1 1 31 31 LEU CD1 C 13 23.5 0.05 . 2 . . . . . . . . 4995 1 376 . 1 1 31 31 LEU CD2 C 13 27.5 0.05 . 2 . . . . . . . . 4995 1 377 . 1 1 31 31 LEU N N 15 121 0.05 . 1 . . . . . . . . 4995 1 378 . 1 1 32 32 LYS H H 1 9.1 0.02 . 1 . . . . . . . . 4995 1 379 . 1 1 32 32 LYS HA H 1 3.85 0.02 . 1 . . . . . . . . 4995 1 380 . 1 1 32 32 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4995 1 381 . 1 1 32 32 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4995 1 382 . 1 1 32 32 LYS HG2 H 1 1.35 0.02 . 2 . . . . . . . . 4995 1 383 . 1 1 32 32 LYS HG3 H 1 1.81 0.02 . 2 . . . . . . . . 4995 1 384 . 1 1 32 32 LYS HD2 H 1 1.66 0.02 . 2 . . . . . . . . 4995 1 385 . 1 1 32 32 LYS HD3 H 1 1.5 0.02 . 2 . . . . . . . . 4995 1 386 . 1 1 32 32 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 4995 1 387 . 1 1 32 32 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 4995 1 388 . 1 1 32 32 LYS C C 13 179.6 0.05 . 1 . . . . . . . . 4995 1 389 . 1 1 32 32 LYS CA C 13 60.8 0.05 . 1 . . . . . . . . 4995 1 390 . 1 1 32 32 LYS CB C 13 32.3 0.05 . 1 . . . . . . . . 4995 1 391 . 1 1 32 32 LYS CG C 13 27.4 0.05 . 1 . . . . . . . . 4995 1 392 . 1 1 32 32 LYS CD C 13 29.6 0.05 . 1 . . . . . . . . 4995 1 393 . 1 1 32 32 LYS CE C 13 41.6 0.05 . 1 . . . . . . . . 4995 1 394 . 1 1 32 32 LYS N N 15 118.9 0.05 . 1 . . . . . . . . 4995 1 395 . 1 1 33 33 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 4995 1 396 . 1 1 33 33 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 4995 1 397 . 1 1 33 33 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4995 1 398 . 1 1 33 33 LYS HB3 H 1 2 0.02 . 2 . . . . . . . . 4995 1 399 . 1 1 33 33 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 4995 1 400 . 1 1 33 33 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 4995 1 401 . 1 1 33 33 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 4995 1 402 . 1 1 33 33 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 4995 1 403 . 1 1 33 33 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4995 1 404 . 1 1 33 33 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 4995 1 405 . 1 1 33 33 LYS C C 13 179.2 0.05 . 1 . . . . . . . . 4995 1 406 . 1 1 33 33 LYS CA C 13 58.7 0.05 . 1 . . . . . . . . 4995 1 407 . 1 1 33 33 LYS CB C 13 32 0.05 . 1 . . . . . . . . 4995 1 408 . 1 1 33 33 LYS CG C 13 25.2 0.05 . 1 . . . . . . . . 4995 1 409 . 1 1 33 33 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 4995 1 410 . 1 1 33 33 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 4995 1 411 . 1 1 33 33 LYS N N 15 117.7 0.05 . 1 . . . . . . . . 4995 1 412 . 1 1 34 34 LEU H H 1 7.5 0.02 . 1 . . . . . . . . 4995 1 413 . 1 1 34 34 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 4995 1 414 . 1 1 34 34 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4995 1 415 . 1 1 34 34 LEU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4995 1 416 . 1 1 34 34 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4995 1 417 . 1 1 34 34 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4995 1 418 . 1 1 34 34 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4995 1 419 . 1 1 34 34 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4995 1 420 . 1 1 34 34 LEU HD21 H 1 1 0.02 . 2 . . . . . . . . 4995 1 421 . 1 1 34 34 LEU HD22 H 1 1 0.02 . 2 . . . . . . . . 4995 1 422 . 1 1 34 34 LEU HD23 H 1 1 0.02 . 2 . . . . . . . . 4995 1 423 . 1 1 34 34 LEU C C 13 179.3 0.05 . 1 . . . . . . . . 4995 1 424 . 1 1 34 34 LEU CA C 13 57.1 0.05 . 1 . . . . . . . . 4995 1 425 . 1 1 34 34 LEU CB C 13 42.4 0.05 . 1 . . . . . . . . 4995 1 426 . 1 1 34 34 LEU CG C 13 26.8 0.05 . 1 . . . . . . . . 4995 1 427 . 1 1 34 34 LEU CD1 C 13 22.9 0.05 . 2 . . . . . . . . 4995 1 428 . 1 1 34 34 LEU CD2 C 13 25.2 0.05 . 2 . . . . . . . . 4995 1 429 . 1 1 34 34 LEU N N 15 118.9 0.05 . 1 . . . . . . . . 4995 1 430 . 1 1 35 35 VAL H H 1 7.85 0.02 . 1 . . . . . . . . 4995 1 431 . 1 1 35 35 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 4995 1 432 . 1 1 35 35 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 4995 1 433 . 1 1 35 35 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 434 . 1 1 35 35 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 435 . 1 1 35 35 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 436 . 1 1 35 35 VAL HG21 H 1 1.03 0.02 . 2 . . . . . . . . 4995 1 437 . 1 1 35 35 VAL HG22 H 1 1.03 0.02 . 2 . . . . . . . . 4995 1 438 . 1 1 35 35 VAL HG23 H 1 1.03 0.02 . 2 . . . . . . . . 4995 1 439 . 1 1 35 35 VAL C C 13 176.9 0.05 . 1 . . . . . . . . 4995 1 440 . 1 1 35 35 VAL CA C 13 62.7 0.05 . 1 . . . . . . . . 4995 1 441 . 1 1 35 35 VAL CB C 13 32.1 0.05 . 1 . . . . . . . . 4995 1 442 . 1 1 35 35 VAL CG1 C 13 21.6 0.05 . 1 . . . . . . . . 4995 1 443 . 1 1 35 35 VAL CG2 C 13 21.6 0.05 . 1 . . . . . . . . 4995 1 444 . 1 1 35 35 VAL N N 15 113.9 0.05 . 1 . . . . . . . . 4995 1 445 . 1 1 36 36 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4995 1 446 . 1 1 36 36 GLY HA2 H 1 3.92 0.02 . 2 . . . . . . . . 4995 1 447 . 1 1 36 36 GLY HA3 H 1 4.13 0.02 . 2 . . . . . . . . 4995 1 448 . 1 1 36 36 GLY C C 13 174.7 0.05 . 1 . . . . . . . . 4995 1 449 . 1 1 36 36 GLY CA C 13 45.5 0.05 . 1 . . . . . . . . 4995 1 450 . 1 1 36 36 GLY N N 15 109.2 0.05 . 1 . . . . . . . . 4995 1 451 . 1 1 37 37 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 4995 1 452 . 1 1 37 37 GLU HA H 1 4.4 0.02 . 1 . . . . . . . . 4995 1 453 . 1 1 37 37 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4995 1 454 . 1 1 37 37 GLU HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4995 1 455 . 1 1 37 37 GLU HG2 H 1 2.29 0.02 . 1 . . . . . . . . 4995 1 456 . 1 1 37 37 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 4995 1 457 . 1 1 37 37 GLU C C 13 175.5 0.05 . 1 . . . . . . . . 4995 1 458 . 1 1 37 37 GLU CA C 13 55.9 0.05 . 1 . . . . . . . . 4995 1 459 . 1 1 37 37 GLU CB C 13 31.2 0.05 . 1 . . . . . . . . 4995 1 460 . 1 1 37 37 GLU CG C 13 36.4 0.05 . 1 . . . . . . . . 4995 1 461 . 1 1 37 37 GLU N N 15 120.8 0.05 . 1 . . . . . . . . 4995 1 462 . 1 1 38 38 ARG H H 1 8.09 0.02 . 1 . . . . . . . . 4995 1 463 . 1 1 38 38 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . 4995 1 464 . 1 1 38 38 ARG HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4995 1 465 . 1 1 38 38 ARG HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4995 1 466 . 1 1 38 38 ARG HG2 H 1 1.34 0.02 . 2 . . . . . . . . 4995 1 467 . 1 1 38 38 ARG HG3 H 1 1.66 0.02 . 2 . . . . . . . . 4995 1 468 . 1 1 38 38 ARG HD2 H 1 3.22 0.02 . 2 . . . . . . . . 4995 1 469 . 1 1 38 38 ARG HD3 H 1 2.94 0.02 . 2 . . . . . . . . 4995 1 470 . 1 1 38 38 ARG C C 13 181.2 0.05 . 1 . . . . . . . . 4995 1 471 . 1 1 38 38 ARG CA C 13 57.2 0.05 . 1 . . . . . . . . 4995 1 472 . 1 1 38 38 ARG CB C 13 31.2 0.05 . 1 . . . . . . . . 4995 1 473 . 1 1 38 38 ARG CG C 13 27.4 0.05 . 1 . . . . . . . . 4995 1 474 . 1 1 38 38 ARG CD C 13 42.4 0.05 . 1 . . . . . . . . 4995 1 475 . 1 1 38 38 ARG N N 15 127.5 0.05 . 1 . . . . . . . . 4995 1 stop_ save_ ######################## # Coupling constants # ######################## save_GlyTM1bZip_H_values _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode GlyTM1bZip_H_values _Coupling_constant_list.Entry_ID 4995 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details ; Residues G1: No amide A2 - two low intensity E20 degenerate with R11 N21 degenerate with V28 ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 3 $15N_13C-GlyTM1bZip . 4995 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 GLY H . . . . 1 1 3 3 GLY HA . . . 6 . . 0.1 . . . . . . . . . . . 4995 1 2 3JHNHA . 1 1 4 4 SER H . . . . 1 1 4 4 SER HA . . . 6 . . 0.1 . . . . . . . . . . . 4995 1 3 3JHNHA . 1 1 5 5 SER H . . . . 1 1 5 5 SER HA . . . 5.4 . . 0.1 . . . . . . . . . . . 4995 1 4 3JHNHA . 1 1 6 6 SER H . . . . 1 1 6 6 SER HA . . . 4.5 . . 0.1 . . . . . . . . . . . 4995 1 5 3JHNHA . 1 1 7 7 LEU H . . . . 1 1 7 7 LEU HA . . . 4.6 . . 0.1 . . . . . . . . . . . 4995 1 6 3JHNHA . 1 1 8 8 GLU H . . . . 1 1 8 8 GLU HA . . . 4.3 . . 0.1 . . . . . . . . . . . 4995 1 7 3JHNHA . 1 1 9 9 ALA H . . . . 1 1 9 9 ALA HA . . . 4 . . 0.1 . . . . . . . . . . . 4995 1 8 3JHNHA . 1 1 10 10 VAL H . . . . 1 1 10 10 VAL HA . . . 5.1 . . 0.1 . . . . . . . . . . . 4995 1 9 3JHNHA . 1 1 11 11 ARG H . . . . 1 1 11 11 ARG HA . . . 4 . . 0.1 . . . . . . . . . . . 4995 1 10 3JHNHA . 1 1 12 12 ARG H . . . . 1 1 12 12 ARG HA . . . 5 . . 0.1 . . . . . . . . . . . 4995 1 11 3JHNHA . 1 1 13 13 LYS H . . . . 1 1 13 13 LYS HA . . . 4.6 . . 0.1 . . . . . . . . . . . 4995 1 12 3JHNHA . 1 1 14 14 ILE H . . . . 1 1 14 14 ILE HA . . . 4.8 . . 0.1 . . . . . . . . . . . 4995 1 13 3JHNHA . 1 1 15 15 ARG H . . . . 1 1 15 15 ARG HA . . . 4.4 . . 0.1 . . . . . . . . . . . 4995 1 14 3JHNHA . 1 1 16 16 SER H . . . . 1 1 16 16 SER HA . . . 4 . . 0.1 . . . . . . . . . . . 4995 1 15 3JHNHA . 1 1 17 17 LEU H . . . . 1 1 17 17 LEU HA . . . 5.1 . . 0.1 . . . . . . . . . . . 4995 1 16 3JHNHA . 1 1 18 18 GLN H . . . . 1 1 18 18 GLN HA . . . 4.3 . . 0.1 . . . . . . . . . . . 4995 1 17 3JHNHA . 1 1 19 19 GLU H . . . . 1 1 19 19 GLU HA . . . 4.4 . . 0.1 . . . . . . . . . . . 4995 1 18 3JHNHA . 1 1 22 22 TYR H . . . . 1 1 22 22 TYR HA . . . 4.9 . . 0.1 . . . . . . . . . . . 4995 1 19 3JHNHA . 1 1 23 23 HIS H . . . . 1 1 23 23 HIS HA . . . 4.5 . . 0.1 . . . . . . . . . . . 4995 1 20 3JHNHA . 1 1 24 24 LEU H . . . . 1 1 24 24 LEU HA . . . 4.5 . . 0.1 . . . . . . . . . . . 4995 1 21 3JHNHA . 1 1 25 25 GLU H . . . . 1 1 25 25 GLU HA . . . 4 . . 0.1 . . . . . . . . . . . 4995 1 22 3JHNHA . 1 1 26 26 ASN H . . . . 1 1 26 26 ASN HA . . . 4 . . 0.1 . . . . . . . . . . . 4995 1 23 3JHNHA . 1 1 27 27 GLU H . . . . 1 1 27 27 GLU HA . . . 3.8 . . 0.1 . . . . . . . . . . . 4995 1 24 3JHNHA . 1 1 28 28 VAL H . . . . 1 1 28 28 VAL HA . . . 3 . . 0.1 . . . . . . . . . . . 4995 1 25 3JHNHA . 1 1 29 29 ALA H . . . . 1 1 29 29 ALA HA . . . 3 . . 0.1 . . . . . . . . . . . 4995 1 26 3JHNHA . 1 1 30 30 ARG H . . . . 1 1 30 30 ARG HA . . . 3 . . 0.1 . . . . . . . . . . . 4995 1 27 3JHNHA . 1 1 31 31 LEU H . . . . 1 1 31 31 LEU HA . . . 4.9 . . 0.1 . . . . . . . . . . . 4995 1 28 3JHNHA . 1 1 32 32 LYS H . . . . 1 1 32 32 LYS HA . . . 4 . . 0.1 . . . . . . . . . . . 4995 1 29 3JHNHA . 1 1 33 33 LYS H . . . . 1 1 33 33 LYS HA . . . 5 . . 0.1 . . . . . . . . . . . 4995 1 30 3JHNHA . 1 1 34 34 LEU H . . . . 1 1 34 34 LEU HA . . . 1 . . 0.1 . . . . . . . . . . . 4995 1 31 3JHNHA . 1 1 35 35 VAL H . . . . 1 1 35 35 VAL HA . . . 6.7 . . 0.1 . . . . . . . . . . . 4995 1 32 3JHNHA . 1 1 36 36 GLY H . . . . 1 1 36 36 GLY HA . . . 5.6 . . 0.1 . . . . . . . . . . . 4995 1 33 3JHNHA . 1 1 37 37 GLU H . . . . 1 1 37 37 GLU HA . . . 7.9 . . 0.1 . . . . . . . . . . . 4995 1 34 3JHNHA . 1 1 38 38 ARG H . . . . 1 1 38 38 ARG HA . . . 7.3 . . 0.1 . . . . . . . . . . . 4995 1 stop_ save_