data_5610 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5610 _Entry.Title ; The Structure of the Carboxyl Terminus of Striated alpha-Tropomyosin in Solution Reveals an Unusual Parallel Arrangement of Interacting alpha-Helices ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-06 _Entry.Accession_date 2002-12-09 _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. . 5610 2 G.V.T. Swapna . . . 5610 3 Yuanpeng Huang . . . 5610 4 Thomas Palm . . . 5610 5 Janet Graboski . . . 5610 6 Gaetano Montelione . T. . 5610 7 Sarah Hitchcock-DeGregori . E. . 5610 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5610 coupling_constants 1 5610 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 162 5610 '15N chemical shifts' 37 5610 '1H chemical shifts' 263 5610 'coupling constants' 26 5610 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 . . 2003-02-21 . original author 'original release' 5610 1 . . 2006-04-28 . update author 'addition of relationship loop' 5610 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7080 'Complex of TM1a(1-14)Zip with TM9a(251-284)' 5610 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5610 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12534273 _Citation.Full_citation . _Citation.Title ; The Structure of the Carboxyl Terminus of Striated alpha-Tropomyosin in Solution Reveals an Unusual Parallel Arrangement of Interacting alpha-Helices ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 3 _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 614 _Citation.Page_last 619 _Citation.Year 2003 _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. . 5610 1 2 G.V.T. Swapna . . . 5610 1 3 Yuanpeng Huang . . . 5610 1 4 Thomas Palm . . . 5610 1 5 S. Graboski . . . 5610 1 6 Gaetano Montelione . T. . 5610 1 7 Sarah Hitchcock-DeGregori . E. . 5610 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'coiled coil' 5610 1 tropomyosin 5610 1 'troponin interaction site' 5610 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TM9a251-284 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TM9a251-284 _Assembly.Entry_ID 5610 _Assembly.ID 1 _Assembly.Name 'C terminus of rat striated muscle alpha tropomyosin encoded by exon 9a' _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 'all disulfide bound' _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 5610 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 'tropomyosin peptide fragment, chain 1' 1 $Tm9a251-284 . . . native . . 1 . . 5610 1 2 'tropomyosin peptide fragment, chain 2' 1 $Tm9a251-284 . . . native . . 1 . . 5610 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 2 . 1 CYS 2 2 SG . . . . . . . . . . 5610 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 yes PDB 1MV4 . . . . . . 5610 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C terminus of rat striated muscle alpha tropomyosin encoded by exon 9a' system 5610 1 TM9a251-284 abbreviation 5610 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'actin regulatory protein' 5610 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tm9a251-284 _Entity.Sf_category entity _Entity.Sf_framecode Tm9a251-284 _Entity.Entry_ID 5610 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'residues 251-284 of rat striated muscle tropomyosin' _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 ; GCGKSIDDLEDELYAQKLKY KAISEELDHALKDMTSI ; _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 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 7080 . GlyTM9a(251-284) . . . . . 100.00 37 100.00 100.00 4.88e-16 . . . . 5610 1 2 no PDB 1C1G . "Crystal Structure Of Tropomyosin At 7 Angstroms Resolution In The Spermine-Induced Crystal Form" . . . . . 91.89 284 97.06 97.06 5.82e-12 . . . . 5610 1 3 no PDB 1MV4 . "Tm9a251-284: A Peptide Model Of The C-Terminus Of A Rat Striated Alpha Tropomyosin" . . . . . 100.00 37 100.00 100.00 4.88e-16 . . . . 5610 1 4 no PDB 2D3E . "Crystal Structure Of The C-Terminal Fragment Of Rabbit Skeletal Alpha-Tropomyosin" . . . . . 91.89 134 97.06 97.06 3.40e-12 . . . . 5610 1 5 no PDB 2G9J . 'Complex Of Tm1a(1-14)zip With Tm9a(251-284): A Model For The Polymerization Domain ("overlap Region") Of Tropomyosin, Northeast' . . . . . 100.00 37 100.00 100.00 4.88e-16 . . . . 5610 1 6 no PDB 2TMA . "Tropomyosin Crystal Structure And Muscle Regulation. Appendix. Construction Of An Atomic Model For Tropomyosin And Implications" . . . . . 91.89 284 97.06 97.06 5.47e-12 . . . . 5610 1 7 no PDB 2W49 . "Isometrically Contracting Insect Asynchronous Flight Muscle" . . . . . 91.89 277 97.06 97.06 5.07e-12 . . . . 5610 1 8 no PDB 2W4U . "Isometrically Contracting Insect Asynchronous Flight Muscle Quick Frozen After A Length Step" . . . . . 91.89 277 97.06 97.06 5.07e-12 . . . . 5610 1 9 no DBJ BAB21978 . "unnamed protein product [Mus musculus]" . . . . . 91.89 284 97.06 97.06 5.76e-12 . . . . 5610 1 10 no DBJ BAC36973 . "unnamed protein product [Mus musculus]" . . . . . 91.89 284 97.06 97.06 5.64e-12 . . . . 5610 1 11 no DBJ BAC85248 . "unnamed protein product [Homo sapiens]" . . . . . 91.89 217 97.06 97.06 3.83e-12 . . . . 5610 1 12 no DBJ BAD86590 . "tropomyosin 1 [Bos taurus]" . . . . . 91.89 284 97.06 97.06 5.19e-12 . . . . 5610 1 13 no DBJ BAE40499 . "unnamed protein product [Mus musculus]" . . . . . 91.89 284 97.06 97.06 5.76e-12 . . . . 5610 1 14 no EMBL CAA26259 . "unnamed protein product [Rattus norvegicus]" . . . . . 91.89 204 97.06 97.06 3.33e-12 . . . . 5610 1 15 no EMBL CAA28393 . "unnamed protein product [Coturnix coturnix]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 5610 1 16 no EMBL CAA34344 . "alpha-tropomyosin [Coturnix coturnix]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 5610 1 17 no EMBL CAA41056 . "alpha-tropomyosin of skeletal fast muscle [Gallus gallus]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 5610 1 18 no EMBL CAA43577 . "alpha-skeletal tropomyosin [Xenopus laevis]" . . . . . 91.89 284 97.06 97.06 7.32e-12 . . . . 5610 1 19 no GB AAA18096 . "alpha-tropomyosin [Rana temporaria]" . . . . . 91.89 284 97.06 97.06 6.13e-12 . . . . 5610 1 20 no GB AAA21801 . "striated-muscle alpha tropomyosin [Rattus norvegicus]" . . . . . 91.89 284 100.00 100.00 1.04e-12 . . . . 5610 1 21 no GB AAA21803 . "minor striated-muscle alpha tropomyosin [Rattus norvegicus]" . . . . . 91.89 294 100.00 100.00 1.32e-12 . . . . 5610 1 22 no GB AAA48577 . "alpha-tropomyosin [Gallus gallus]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 5610 1 23 no GB AAA48610 . "alpha-tropomyosin [Gallus gallus]" . . . . . 91.89 284 97.06 97.06 5.30e-12 . . . . 5610 1 24 no PRF 1105305B . "tropomyosin alpha" . . . . . 91.89 204 97.06 97.06 3.33e-12 . . . . 5610 1 25 no REF NP_001013608 . "tropomyosin alpha-1 chain [Bos taurus]" . . . . . 91.89 284 97.06 97.06 5.19e-12 . . . . 5610 1 26 no REF NP_001018005 . "tropomyosin alpha-1 chain isoform Tpm1.1st [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 5.70e-12 . . . . 5610 1 27 no REF NP_001029247 . "tropomyosin alpha-1 chain isoform Tpm1.13 [Rattus norvegicus]" . . . . . 91.89 248 97.06 97.06 2.49e-12 . . . . 5610 1 28 no REF NP_001090952 . "tropomyosin alpha-1 chain [Sus scrofa]" . . . . . 91.89 284 97.06 97.06 5.30e-12 . . . . 5610 1 29 no REF NP_001099158 . "tropomyosin alpha-1 chain [Oryctolagus cuniculus]" . . . . . 91.89 284 97.06 97.06 5.76e-12 . . . . 5610 1 30 no SP P04268 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Gallus gallus]" . . . . . 91.89 284 97.06 97.06 5.14e-12 . . . . 5610 1 31 no SP P04692 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Rattus norvegicus]" . . . . . 91.89 284 97.06 97.06 5.76e-12 . . . . 5610 1 32 no SP P09493 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 5.70e-12 . . . . 5610 1 33 no SP P13105 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Rana temporaria]" . . . . . 91.89 284 97.06 97.06 6.13e-12 . . . . 5610 1 34 no SP P42639 . "RecName: Full=Tropomyosin alpha-1 chain; AltName: Full=Alpha-tropomyosin; AltName: Full=Tropomyosin-1 [Sus scrofa]" . . . . . 91.89 284 97.06 97.06 5.30e-12 . . . . 5610 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N279K variant 5610 1 'residues 251-284 of rat striated muscle tropomyosin' common 5610 1 Tm9a251-284 abbreviation 5610 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 1 GLY . 5610 1 2 2 CYS . 5610 1 3 3 GLY . 5610 1 4 251 LYS . 5610 1 5 252 SER . 5610 1 6 253 ILE . 5610 1 7 254 ASP . 5610 1 8 255 ASP . 5610 1 9 256 LEU . 5610 1 10 257 GLU . 5610 1 11 258 ASP . 5610 1 12 259 GLU . 5610 1 13 260 LEU . 5610 1 14 261 TYR . 5610 1 15 262 ALA . 5610 1 16 263 GLN . 5610 1 17 264 LYS . 5610 1 18 265 LEU . 5610 1 19 266 LYS . 5610 1 20 267 TYR . 5610 1 21 268 LYS . 5610 1 22 269 ALA . 5610 1 23 270 ILE . 5610 1 24 271 SER . 5610 1 25 272 GLU . 5610 1 26 273 GLU . 5610 1 27 274 LEU . 5610 1 28 275 ASP . 5610 1 29 276 HIS . 5610 1 30 277 ALA . 5610 1 31 278 LEU . 5610 1 32 279 LYS . 5610 1 33 280 ASP . 5610 1 34 281 MET . 5610 1 35 282 THR . 5610 1 36 283 SER . 5610 1 37 284 ILE . 5610 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 5610 1 . CYS 2 2 5610 1 . GLY 3 3 5610 1 . LYS 4 4 5610 1 . SER 5 5 5610 1 . ILE 6 6 5610 1 . ASP 7 7 5610 1 . ASP 8 8 5610 1 . LEU 9 9 5610 1 . GLU 10 10 5610 1 . ASP 11 11 5610 1 . GLU 12 12 5610 1 . LEU 13 13 5610 1 . TYR 14 14 5610 1 . ALA 15 15 5610 1 . GLN 16 16 5610 1 . LYS 17 17 5610 1 . LEU 18 18 5610 1 . LYS 19 19 5610 1 . TYR 20 20 5610 1 . LYS 21 21 5610 1 . ALA 22 22 5610 1 . ILE 23 23 5610 1 . SER 24 24 5610 1 . GLU 25 25 5610 1 . GLU 26 26 5610 1 . LEU 27 27 5610 1 . ASP 28 28 5610 1 . HIS 29 29 5610 1 . ALA 30 30 5610 1 . LEU 31 31 5610 1 . LYS 32 32 5610 1 . ASP 33 33 5610 1 . MET 34 34 5610 1 . THR 35 35 5610 1 . SER 36 36 5610 1 . ILE 37 37 5610 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 5610 _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 $Tm9a251-284 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . N279K . . 'striated muscle' . . . . . . . . . . . . . . . . 5610 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 5610 _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 $Tm9a251-284 . 'recombinant technology' 'Escherichia coli' 'E coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pSBET-HTb . . . . . . 5610 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5610 _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 'residues 251-284 of rat striated muscle tropomyosin' '[U-98% 15N]' . . 1 $Tm9a251-284 . . . 0.4 1.2 mM . . . . 5610 1 2 NaCl . . . . . . . 100 . . mM . . . . 5610 1 3 'Na phosphate' . . . . . . . 10 . . mM . . . . 5610 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5610 _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 'residues 251-284 of rat striated muscle tropomyosin' '[U-99% 13C; U-98% 15N]' . . 1 $Tm9a251-284 . . . 0.4 1.2 mM . . . . 5610 2 stop_ save_ save_Sample_3 _Sample.Sf_category sample _Sample.Sf_framecode Sample_3 _Sample.Entry_ID 5610 _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 'residues 251-284 of rat striated muscle tropomyosin' '[U-98% 15N; U-99% 13C]' . . 1 $Tm9a251-284 . . 0.4 . . mM . . . . 5610 3 2 'residues 251-284 of rat striated muscle tropomyosin' . . . 1 $Tm9a251-284 . . 0.4 . . mM . . . . 5610 3 stop_ save_ save_Sample_4 _Sample.Sf_category sample _Sample.Sf_framecode Sample_4 _Sample.Entry_ID 5610 _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 'residues 251-284 of rat striated muscle tropomyosin' . . . 1 $Tm9a251-284 . . 0.8 . . mM . . . . 5610 4 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5610 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 0.01 M 5610 1 pH 6.5 0.1 n/a 5610 1 temperature 183 0.2 K 5610 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5610 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 5610 1 processing 5610 1 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 5610 _Software.ID 2 _Software.Name AutoStruct _Software.Version . _Software.Details ; In house software for automatic structure calculations. (Calls the program DYANA as a subroutine). Huang, Y.J. (2002) Automated determination of protein structures from NMR data by iterative analysis of self-consistent contact patterns. Ph.D. Thesis, Rutgers University, New Brunswick, NJ. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE assignments' 5610 2 'structural calculations' 5610 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5610 _Software.ID 3 _Software.Name DYANA _Software.Version . _Software.Details ; Guntert, P., Mumenthaler, C. and Wuthrich, K. (1997) Torsion angle dynamics for NMR structure calculation with the new program DYANA. J. Mol. Biol. 273, 283-298. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculations' 5610 3 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5610 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details ; Goddard, T and Kneller, T. University of California at San Francisco, unpublished. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak selection' 5610 4 'spectra alignments' 5610 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5610 _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_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5610 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5610 _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_1 Varian INOVA . 500 . . . 5610 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5610 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 5610 _Experiment_list.ID 1 _Experiment_list.Details ; All heteronuclear experiements employed pulse field gradients to minimize the water peaks. ; 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' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 2 (HA)(CA)CO(CA)NH . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 3 HNC0 . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 4 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 5 HNCA . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 6 CBCANH . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 8 HA(CA)NH . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 9 HA(CA)(CO)CANH . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 10 CCH-COSY . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 11 HCCH-COSY . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 12 2QF-COSY . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 13 '15N Edited NOESY' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 14 '13C Edited NOESY' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 15 '13C X-Filtered NOESY' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5610 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5610 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5610 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5610 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5610 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_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts _Assigned_chem_shift_list.Entry_ID 5610 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_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 . . 1 $Sample_1 . 5610 1 . . 2 $Sample_2 . 5610 1 . . 3 $Sample_3 . 5610 1 . . 4 $Sample_4 . 5610 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 3.88 0.02 . 2 . . . . . . . . 5610 1 2 . 1 1 1 1 GLY HA3 H 1 3.881 0.02 . 2 . . . . . . . . 5610 1 3 . 1 1 1 1 GLY C C 13 174.7 0.05 . 1 . . . . . . . . 5610 1 4 . 1 1 1 1 GLY CA C 13 43.37 0.05 . 1 . . . . . . . . 5610 1 5 . 1 1 2 2 CYS H H 1 8.425 0.02 . 1 . . . . . . . . 5610 1 6 . 1 1 2 2 CYS HA H 1 4.878 0.02 . 1 . . . . . . . . 5610 1 7 . 1 1 2 2 CYS HB2 H 1 3.301 0.02 . 2 . . . . . . . . 5610 1 8 . 1 1 2 2 CYS HB3 H 1 2.827 0.02 . 2 . . . . . . . . 5610 1 9 . 1 1 2 2 CYS C C 13 175.7 0.05 . 1 . . . . . . . . 5610 1 10 . 1 1 2 2 CYS CA C 13 54.74 0.05 . 1 . . . . . . . . 5610 1 11 . 1 1 2 2 CYS CB C 13 40.88 0.05 . 1 . . . . . . . . 5610 1 12 . 1 1 2 2 CYS N N 15 119 0.05 . 1 . . . . . . . . 5610 1 13 . 1 1 3 3 GLY H H 1 8.657 0.02 . 1 . . . . . . . . 5610 1 14 . 1 1 3 3 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . 5610 1 15 . 1 1 3 3 GLY HA3 H 1 4.091 0.02 . 1 . . . . . . . . 5610 1 16 . 1 1 3 3 GLY C C 13 173.7 0.05 . 1 . . . . . . . . 5610 1 17 . 1 1 3 3 GLY CA C 13 45.09 0.05 . 1 . . . . . . . . 5610 1 18 . 1 1 3 3 GLY N N 15 111.5 0.05 . 1 . . . . . . . . 5610 1 19 . 1 1 4 4 LYS H H 1 8.225 0.02 . 1 . . . . . . . . 5610 1 20 . 1 1 4 4 LYS HA H 1 3.929 0.02 . 1 . . . . . . . . 5610 1 21 . 1 1 4 4 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5610 1 22 . 1 1 4 4 LYS HB3 H 1 1.981 0.02 . 2 . . . . . . . . 5610 1 23 . 1 1 4 4 LYS HG2 H 1 1.385 0.02 . 1 . . . . . . . . 5610 1 24 . 1 1 4 4 LYS HG3 H 1 1.385 0.02 . 1 . . . . . . . . 5610 1 25 . 1 1 4 4 LYS HD2 H 1 1.615 0.02 . 2 . . . . . . . . 5610 1 26 . 1 1 4 4 LYS HD3 H 1 1.411 0.02 . 2 . . . . . . . . 5610 1 27 . 1 1 4 4 LYS HE2 H 1 2.755 0.02 . 2 . . . . . . . . 5610 1 28 . 1 1 4 4 LYS HE3 H 1 2.889 0.02 . 2 . . . . . . . . 5610 1 29 . 1 1 4 4 LYS C C 13 176.9 0.05 . 1 . . . . . . . . 5610 1 30 . 1 1 4 4 LYS CA C 13 58.16 0.05 . 1 . . . . . . . . 5610 1 31 . 1 1 4 4 LYS CB C 13 33.86 0.05 . 1 . . . . . . . . 5610 1 32 . 1 1 4 4 LYS CG C 13 25.14 0.05 . 1 . . . . . . . . 5610 1 33 . 1 1 4 4 LYS CD C 13 30 0.05 . 1 . . . . . . . . 5610 1 34 . 1 1 4 4 LYS CE C 13 42.04 0.05 . 1 . . . . . . . . 5610 1 35 . 1 1 4 4 LYS N N 15 121.6 0.05 . 1 . . . . . . . . 5610 1 36 . 1 1 5 5 SER H H 1 8.301 0.02 . 1 . . . . . . . . 5610 1 37 . 1 1 5 5 SER HA H 1 4.316 0.02 . 1 . . . . . . . . 5610 1 38 . 1 1 5 5 SER HB2 H 1 3.681 0.02 . 2 . . . . . . . . 5610 1 39 . 1 1 5 5 SER HB3 H 1 3.899 0.02 . 2 . . . . . . . . 5610 1 40 . 1 1 5 5 SER CA C 13 62.48 0.05 . 1 . . . . . . . . 5610 1 41 . 1 1 5 5 SER CB C 13 62.25 0.05 . 1 . . . . . . . . 5610 1 42 . 1 1 5 5 SER N N 15 114.6 0.05 . 1 . . . . . . . . 5610 1 43 . 1 1 6 6 ILE H H 1 8.175 0.02 . 1 . . . . . . . . 5610 1 44 . 1 1 6 6 ILE HA H 1 3.631 0.02 . 1 . . . . . . . . 5610 1 45 . 1 1 6 6 ILE HB H 1 1.68 0.02 . 1 . . . . . . . . 5610 1 46 . 1 1 6 6 ILE HG12 H 1 1.018 0.02 . 2 . . . . . . . . 5610 1 47 . 1 1 6 6 ILE HG13 H 1 1.581 0.02 . 2 . . . . . . . . 5610 1 48 . 1 1 6 6 ILE HG21 H 1 0.8201 0.02 . 1 . . . . . . . . 5610 1 49 . 1 1 6 6 ILE HG22 H 1 0.8201 0.02 . 1 . . . . . . . . 5610 1 50 . 1 1 6 6 ILE HG23 H 1 0.8201 0.02 . 1 . . . . . . . . 5610 1 51 . 1 1 6 6 ILE HD11 H 1 0.854 0.02 . 1 . . . . . . . . 5610 1 52 . 1 1 6 6 ILE HD12 H 1 0.854 0.02 . 1 . . . . . . . . 5610 1 53 . 1 1 6 6 ILE HD13 H 1 0.854 0.02 . 1 . . . . . . . . 5610 1 54 . 1 1 6 6 ILE CA C 13 64.4 0.05 . 1 . . . . . . . . 5610 1 55 . 1 1 6 6 ILE CB C 13 37.63 0.05 . 1 . . . . . . . . 5610 1 56 . 1 1 6 6 ILE CG1 C 13 29.28 0.05 . 1 . . . . . . . . 5610 1 57 . 1 1 6 6 ILE CG2 C 13 17.37 0.05 . 1 . . . . . . . . 5610 1 58 . 1 1 6 6 ILE CD1 C 13 12.78 0.05 . 1 . . . . . . . . 5610 1 59 . 1 1 6 6 ILE N N 15 119.4 0.05 . 1 . . . . . . . . 5610 1 60 . 1 1 7 7 ASP H H 1 8.833 0.02 . 1 . . . . . . . . 5610 1 61 . 1 1 7 7 ASP HA H 1 4.233 0.02 . 1 . . . . . . . . 5610 1 62 . 1 1 7 7 ASP HB2 H 1 2.697 0.02 . 2 . . . . . . . . 5610 1 63 . 1 1 7 7 ASP HB3 H 1 2.906 0.02 . 2 . . . . . . . . 5610 1 64 . 1 1 7 7 ASP CA C 13 57.33 0.05 . 1 . . . . . . . . 5610 1 65 . 1 1 7 7 ASP CB C 13 40.11 0.05 . 1 . . . . . . . . 5610 1 66 . 1 1 7 7 ASP N N 15 119.7 0.05 . 1 . . . . . . . . 5610 1 67 . 1 1 8 8 ASP H H 1 8.348 0.02 . 1 . . . . . . . . 5610 1 68 . 1 1 8 8 ASP HA H 1 4.363 0.02 . 1 . . . . . . . . 5610 1 69 . 1 1 8 8 ASP HB2 H 1 2.848 0.02 . 2 . . . . . . . . 5610 1 70 . 1 1 8 8 ASP HB3 H 1 2.523 0.02 . 2 . . . . . . . . 5610 1 71 . 1 1 8 8 ASP CA C 13 57.19 0.05 . 1 . . . . . . . . 5610 1 72 . 1 1 8 8 ASP CB C 13 40.02 0.05 . 1 . . . . . . . . 5610 1 73 . 1 1 8 8 ASP N N 15 119.1 0.05 . 1 . . . . . . . . 5610 1 74 . 1 1 9 9 LEU H H 1 7.702 0.02 . 1 . . . . . . . . 5610 1 75 . 1 1 9 9 LEU HA H 1 4.123 0.02 . 1 . . . . . . . . 5610 1 76 . 1 1 9 9 LEU HB2 H 1 2.005 0.02 . 2 . . . . . . . . 5610 1 77 . 1 1 9 9 LEU HB3 H 1 1.344 0.02 . 2 . . . . . . . . 5610 1 78 . 1 1 9 9 LEU HG H 1 1.714 0.02 . 2 . . . . . . . . 5610 1 79 . 1 1 9 9 LEU HD11 H 1 0.8336 0.02 . 2 . . . . . . . . 5610 1 80 . 1 1 9 9 LEU HD12 H 1 0.8336 0.02 . 2 . . . . . . . . 5610 1 81 . 1 1 9 9 LEU HD13 H 1 0.8336 0.02 . 2 . . . . . . . . 5610 1 82 . 1 1 9 9 LEU HD21 H 1 0.9235 0.02 . 2 . . . . . . . . 5610 1 83 . 1 1 9 9 LEU HD22 H 1 0.9235 0.02 . 2 . . . . . . . . 5610 1 84 . 1 1 9 9 LEU HD23 H 1 0.9235 0.02 . 2 . . . . . . . . 5610 1 85 . 1 1 9 9 LEU C C 13 179.2 0.05 . 1 . . . . . . . . 5610 1 86 . 1 1 9 9 LEU CA C 13 57.79 0.05 . 1 . . . . . . . . 5610 1 87 . 1 1 9 9 LEU CB C 13 43.13 0.05 . 1 . . . . . . . . 5610 1 88 . 1 1 9 9 LEU CG C 13 27.96 0.05 . 1 . . . . . . . . 5610 1 89 . 1 1 9 9 LEU CD1 C 13 24.18 0.05 . 1 . . . . . . . . 5610 1 90 . 1 1 9 9 LEU CD2 C 13 26.82 0.05 . 1 . . . . . . . . 5610 1 91 . 1 1 9 9 LEU N N 15 122.7 0.05 . 1 . . . . . . . . 5610 1 92 . 1 1 10 10 GLU H H 1 8.857 0.02 . 1 . . . . . . . . 5610 1 93 . 1 1 10 10 GLU HA H 1 4.079 0.02 . 1 . . . . . . . . 5610 1 94 . 1 1 10 10 GLU HB2 H 1 2.157 0.02 . 2 . . . . . . . . 5610 1 95 . 1 1 10 10 GLU HB3 H 1 1.998 0.02 . 2 . . . . . . . . 5610 1 96 . 1 1 10 10 GLU HG2 H 1 2.205 0.02 . 2 . . . . . . . . 5610 1 97 . 1 1 10 10 GLU HG3 H 1 2.477 0.02 . 2 . . . . . . . . 5610 1 98 . 1 1 10 10 GLU C C 13 180.7 0.05 . 1 . . . . . . . . 5610 1 99 . 1 1 10 10 GLU CA C 13 59.99 0.05 . 1 . . . . . . . . 5610 1 100 . 1 1 10 10 GLU CB C 13 28.97 0.05 . 1 . . . . . . . . 5610 1 101 . 1 1 10 10 GLU CG C 13 36.38 0.05 . 1 . . . . . . . . 5610 1 102 . 1 1 10 10 GLU N N 15 119.9 0.05 . 1 . . . . . . . . 5610 1 103 . 1 1 11 11 ASP H H 1 8.314 0.02 . 1 . . . . . . . . 5610 1 104 . 1 1 11 11 ASP HA H 1 4.539 0.02 . 1 . . . . . . . . 5610 1 105 . 1 1 11 11 ASP HB2 H 1 2.691 0.02 . 2 . . . . . . . . 5610 1 106 . 1 1 11 11 ASP HB3 H 1 2.894 0.02 . 2 . . . . . . . . 5610 1 107 . 1 1 11 11 ASP C C 13 179.3 0.05 . 1 . . . . . . . . 5610 1 108 . 1 1 11 11 ASP CA C 13 57.57 0.05 . 1 . . . . . . . . 5610 1 109 . 1 1 11 11 ASP CB C 13 40.2 0.05 . 1 . . . . . . . . 5610 1 110 . 1 1 11 11 ASP N N 15 121.4 0.05 . 1 . . . . . . . . 5610 1 111 . 1 1 12 12 GLU H H 1 8.174 0.02 . 1 . . . . . . . . 5610 1 112 . 1 1 12 12 GLU HA H 1 4.136 0.02 . 1 . . . . . . . . 5610 1 113 . 1 1 12 12 GLU HB2 H 1 2.176 0.02 . 2 . . . . . . . . 5610 1 114 . 1 1 12 12 GLU HB3 H 1 2.1 0.02 . 2 . . . . . . . . 5610 1 115 . 1 1 12 12 GLU HG2 H 1 2.233 0.02 . 2 . . . . . . . . 5610 1 116 . 1 1 12 12 GLU HG3 H 1 2.446 0.02 . 2 . . . . . . . . 5610 1 117 . 1 1 12 12 GLU C C 13 179.6 0.05 . 1 . . . . . . . . 5610 1 118 . 1 1 12 12 GLU CA C 13 59.51 0.05 . 1 . . . . . . . . 5610 1 119 . 1 1 12 12 GLU CB C 13 29.39 0.05 . 1 . . . . . . . . 5610 1 120 . 1 1 12 12 GLU CG C 13 36.45 0.05 . 1 . . . . . . . . 5610 1 121 . 1 1 12 12 GLU N N 15 123.1 0.05 . 1 . . . . . . . . 5610 1 122 . 1 1 13 13 LEU H H 1 8.857 0.02 . 1 . . . . . . . . 5610 1 123 . 1 1 13 13 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 5610 1 124 . 1 1 13 13 LEU HB2 H 1 1.632 0.02 . 2 . . . . . . . . 5610 1 125 . 1 1 13 13 LEU HB3 H 1 1.834 0.02 . 2 . . . . . . . . 5610 1 126 . 1 1 13 13 LEU HG H 1 1.552 0.02 . 2 . . . . . . . . 5610 1 127 . 1 1 13 13 LEU HD11 H 1 0.8566 0.02 . 2 . . . . . . . . 5610 1 128 . 1 1 13 13 LEU HD12 H 1 0.8566 0.02 . 2 . . . . . . . . 5610 1 129 . 1 1 13 13 LEU HD13 H 1 0.8566 0.02 . 2 . . . . . . . . 5610 1 130 . 1 1 13 13 LEU HD21 H 1 0.8654 0.02 . 2 . . . . . . . . 5610 1 131 . 1 1 13 13 LEU HD22 H 1 0.8654 0.02 . 2 . . . . . . . . 5610 1 132 . 1 1 13 13 LEU HD23 H 1 0.8654 0.02 . 2 . . . . . . . . 5610 1 133 . 1 1 13 13 LEU C C 13 178.5 0.05 . 1 . . . . . . . . 5610 1 134 . 1 1 13 13 LEU CA C 13 58.27 0.05 . 1 . . . . . . . . 5610 1 135 . 1 1 13 13 LEU CB C 13 41.77 0.05 . 1 . . . . . . . . 5610 1 136 . 1 1 13 13 LEU CG C 13 27.32 0.05 . 1 . . . . . . . . 5610 1 137 . 1 1 13 13 LEU CD1 C 13 24.12 0.05 . 1 . . . . . . . . 5610 1 138 . 1 1 13 13 LEU CD2 C 13 25.17 0.05 . 1 . . . . . . . . 5610 1 139 . 1 1 13 13 LEU N N 15 122.1 0.05 . 1 . . . . . . . . 5610 1 140 . 1 1 14 14 TYR H H 1 8.346 0.02 . 1 . . . . . . . . 5610 1 141 . 1 1 14 14 TYR HA H 1 4.12 0.02 . 1 . . . . . . . . 5610 1 142 . 1 1 14 14 TYR HB2 H 1 3.183 0.02 . 1 . . . . . . . . 5610 1 143 . 1 1 14 14 TYR HB3 H 1 3.183 0.02 . 1 . . . . . . . . 5610 1 144 . 1 1 14 14 TYR HD1 H 1 7.153 0.02 . 1 . . . . . . . . 5610 1 145 . 1 1 14 14 TYR HD2 H 1 7.153 0.02 . 1 . . . . . . . . 5610 1 146 . 1 1 14 14 TYR HE1 H 1 6.788 0.02 . 1 . . . . . . . . 5610 1 147 . 1 1 14 14 TYR HE2 H 1 6.788 0.02 . 1 . . . . . . . . 5610 1 148 . 1 1 14 14 TYR C C 13 178 0.05 . 1 . . . . . . . . 5610 1 149 . 1 1 14 14 TYR CA C 13 61.56 0.05 . 1 . . . . . . . . 5610 1 150 . 1 1 14 14 TYR CB C 13 37.97 0.05 . 1 . . . . . . . . 5610 1 151 . 1 1 14 14 TYR CD1 C 13 132.5 0.05 . 1 . . . . . . . . 5610 1 152 . 1 1 14 14 TYR CD2 C 13 132.5 0.05 . 1 . . . . . . . . 5610 1 153 . 1 1 14 14 TYR CE1 C 13 117.3 0.05 . 1 . . . . . . . . 5610 1 154 . 1 1 14 14 TYR CE2 C 13 117.3 0.05 . 1 . . . . . . . . 5610 1 155 . 1 1 14 14 TYR N N 15 120.9 0.05 . 1 . . . . . . . . 5610 1 156 . 1 1 15 15 ALA H H 1 8.123 0.02 . 1 . . . . . . . . 5610 1 157 . 1 1 15 15 ALA HA H 1 3.958 0.02 . 1 . . . . . . . . 5610 1 158 . 1 1 15 15 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5610 1 159 . 1 1 15 15 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5610 1 160 . 1 1 15 15 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5610 1 161 . 1 1 15 15 ALA C C 13 181.6 0.05 . 1 . . . . . . . . 5610 1 162 . 1 1 15 15 ALA CA C 13 55.11 0.05 . 1 . . . . . . . . 5610 1 163 . 1 1 15 15 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . 5610 1 164 . 1 1 15 15 ALA N N 15 120.9 0.05 . 1 . . . . . . . . 5610 1 165 . 1 1 16 16 GLN H H 1 8.494 0.02 . 1 . . . . . . . . 5610 1 166 . 1 1 16 16 GLN HA H 1 3.795 0.02 . 1 . . . . . . . . 5610 1 167 . 1 1 16 16 GLN HB2 H 1 2.172 0.02 . 1 . . . . . . . . 5610 1 168 . 1 1 16 16 GLN HB3 H 1 2.172 0.02 . 1 . . . . . . . . 5610 1 169 . 1 1 16 16 GLN HG2 H 1 2.336 0.02 . 1 . . . . . . . . 5610 1 170 . 1 1 16 16 GLN HG3 H 1 2.336 0.02 . 1 . . . . . . . . 5610 1 171 . 1 1 16 16 GLN HE21 H 1 6.468 0.02 . 2 . . . . . . . . 5610 1 172 . 1 1 16 16 GLN HE22 H 1 7.7 0.02 . 2 . . . . . . . . 5610 1 173 . 1 1 16 16 GLN C C 13 177.8 0.05 . 1 . . . . . . . . 5610 1 174 . 1 1 16 16 GLN CA C 13 58.19 0.05 . 1 . . . . . . . . 5610 1 175 . 1 1 16 16 GLN CB C 13 27.81 0.05 . 1 . . . . . . . . 5610 1 176 . 1 1 16 16 GLN CG C 13 33.36 0.05 . 1 . . . . . . . . 5610 1 177 . 1 1 16 16 GLN N N 15 118.9 0.05 . 1 . . . . . . . . 5610 1 178 . 1 1 16 16 GLN NE2 N 15 112.5 0.05 . 1 . . . . . . . . 5610 1 179 . 1 1 17 17 LYS H H 1 8.468 0.02 . 1 . . . . . . . . 5610 1 180 . 1 1 17 17 LYS HA H 1 4 0.02 . 1 . . . . . . . . 5610 1 181 . 1 1 17 17 LYS HB2 H 1 1.868 0.02 . 2 . . . . . . . . 5610 1 182 . 1 1 17 17 LYS HB3 H 1 1.913 0.02 . 2 . . . . . . . . 5610 1 183 . 1 1 17 17 LYS HG2 H 1 1.235 0.02 . 2 . . . . . . . . 5610 1 184 . 1 1 17 17 LYS HG3 H 1 1.43 0.02 . 2 . . . . . . . . 5610 1 185 . 1 1 17 17 LYS HD2 H 1 1.593 0.02 . 2 . . . . . . . . 5610 1 186 . 1 1 17 17 LYS HD3 H 1 1.618 0.02 . 2 . . . . . . . . 5610 1 187 . 1 1 17 17 LYS HE2 H 1 2.826 0.02 . 2 . . . . . . . . 5610 1 188 . 1 1 17 17 LYS HE3 H 1 2.739 0.02 . 2 . . . . . . . . 5610 1 189 . 1 1 17 17 LYS C C 13 180.2 0.05 . 1 . . . . . . . . 5610 1 190 . 1 1 17 17 LYS CA C 13 60.17 0.05 . 1 . . . . . . . . 5610 1 191 . 1 1 17 17 LYS CB C 13 31.95 0.05 . 1 . . . . . . . . 5610 1 192 . 1 1 17 17 LYS CG C 13 26.47 0.05 . 1 . . . . . . . . 5610 1 193 . 1 1 17 17 LYS CD C 13 29.49 0.05 . 1 . . . . . . . . 5610 1 194 . 1 1 17 17 LYS CE C 13 42.11 0.05 . 1 . . . . . . . . 5610 1 195 . 1 1 17 17 LYS N N 15 122.5 0.05 . 1 . . . . . . . . 5610 1 196 . 1 1 18 18 LEU H H 1 7.866 0.02 . 1 . . . . . . . . 5610 1 197 . 1 1 18 18 LEU HA H 1 4.009 0.02 . 1 . . . . . . . . 5610 1 198 . 1 1 18 18 LEU HB2 H 1 1.733 0.02 . 2 . . . . . . . . 5610 1 199 . 1 1 18 18 LEU HB3 H 1 1.416 0.02 . 2 . . . . . . . . 5610 1 200 . 1 1 18 18 LEU HG H 1 1.379 0.02 . 2 . . . . . . . . 5610 1 201 . 1 1 18 18 LEU HD11 H 1 0.6978 0.02 . 2 . . . . . . . . 5610 1 202 . 1 1 18 18 LEU HD12 H 1 0.6978 0.02 . 2 . . . . . . . . 5610 1 203 . 1 1 18 18 LEU HD13 H 1 0.6978 0.02 . 2 . . . . . . . . 5610 1 204 . 1 1 18 18 LEU HD21 H 1 0.7183 0.02 . 2 . . . . . . . . 5610 1 205 . 1 1 18 18 LEU HD22 H 1 0.7183 0.02 . 2 . . . . . . . . 5610 1 206 . 1 1 18 18 LEU HD23 H 1 0.7183 0.02 . 2 . . . . . . . . 5610 1 207 . 1 1 18 18 LEU C C 13 180.6 0.05 . 1 . . . . . . . . 5610 1 208 . 1 1 18 18 LEU CA C 13 58.05 0.05 . 1 . . . . . . . . 5610 1 209 . 1 1 18 18 LEU CB C 13 41.47 0.05 . 1 . . . . . . . . 5610 1 210 . 1 1 18 18 LEU CG C 13 26.52 0.05 . 1 . . . . . . . . 5610 1 211 . 1 1 18 18 LEU CD1 C 13 22.76 0.05 . 1 . . . . . . . . 5610 1 212 . 1 1 18 18 LEU CD2 C 13 25.21 0.05 . 1 . . . . . . . . 5610 1 213 . 1 1 18 18 LEU N N 15 121.3 0.05 . 1 . . . . . . . . 5610 1 214 . 1 1 19 19 LYS H H 1 7.841 0.02 . 1 . . . . . . . . 5610 1 215 . 1 1 19 19 LYS HA H 1 4.113 0.02 . 1 . . . . . . . . 5610 1 216 . 1 1 19 19 LYS HB2 H 1 1.796 0.02 . 2 . . . . . . . . 5610 1 217 . 1 1 19 19 LYS HB3 H 1 1.966 0.02 . 2 . . . . . . . . 5610 1 218 . 1 1 19 19 LYS HG2 H 1 1.384 0.02 . 1 . . . . . . . . 5610 1 219 . 1 1 19 19 LYS HG3 H 1 1.384 0.02 . 1 . . . . . . . . 5610 1 220 . 1 1 19 19 LYS HD2 H 1 1.366 0.02 . 2 . . . . . . . . 5610 1 221 . 1 1 19 19 LYS HD3 H 1 1.4 0.02 . 2 . . . . . . . . 5610 1 222 . 1 1 19 19 LYS HE2 H 1 2.607 0.02 . 1 . . . . . . . . 5610 1 223 . 1 1 19 19 LYS HE3 H 1 2.607 0.02 . 1 . . . . . . . . 5610 1 224 . 1 1 19 19 LYS C C 13 179.5 0.05 . 1 . . . . . . . . 5610 1 225 . 1 1 19 19 LYS CA C 13 59.53 0.05 . 1 . . . . . . . . 5610 1 226 . 1 1 19 19 LYS CB C 13 32.22 0.05 . 1 . . . . . . . . 5610 1 227 . 1 1 19 19 LYS CG C 13 24.9 0.05 . 1 . . . . . . . . 5610 1 228 . 1 1 19 19 LYS CD C 13 29.35 0.05 . 1 . . . . . . . . 5610 1 229 . 1 1 19 19 LYS CE C 13 41.49 0.05 . 1 . . . . . . . . 5610 1 230 . 1 1 19 19 LYS N N 15 121.3 0.05 . 1 . . . . . . . . 5610 1 231 . 1 1 20 20 TYR H H 1 8.388 0.02 . 1 . . . . . . . . 5610 1 232 . 1 1 20 20 TYR HA H 1 4.201 0.02 . 1 . . . . . . . . 5610 1 233 . 1 1 20 20 TYR HB2 H 1 3.199 0.02 . 2 . . . . . . . . 5610 1 234 . 1 1 20 20 TYR HB3 H 1 3.418 0.02 . 2 . . . . . . . . 5610 1 235 . 1 1 20 20 TYR HD1 H 1 7.007 0.02 . 1 . . . . . . . . 5610 1 236 . 1 1 20 20 TYR HD2 H 1 7.007 0.02 . 1 . . . . . . . . 5610 1 237 . 1 1 20 20 TYR HE1 H 1 6.711 0.02 . 1 . . . . . . . . 5610 1 238 . 1 1 20 20 TYR HE2 H 1 6.711 0.02 . 1 . . . . . . . . 5610 1 239 . 1 1 20 20 TYR C C 13 177.4 0.05 . 1 . . . . . . . . 5610 1 240 . 1 1 20 20 TYR CA C 13 61.79 0.05 . 1 . . . . . . . . 5610 1 241 . 1 1 20 20 TYR CB C 13 38.09 0.05 . 1 . . . . . . . . 5610 1 242 . 1 1 20 20 TYR CD1 C 13 132.1 0.05 . 1 . . . . . . . . 5610 1 243 . 1 1 20 20 TYR CD2 C 13 132.1 0.05 . 1 . . . . . . . . 5610 1 244 . 1 1 20 20 TYR CE1 C 13 117.6 0.05 . 1 . . . . . . . . 5610 1 245 . 1 1 20 20 TYR CE2 C 13 117.6 0.05 . 1 . . . . . . . . 5610 1 246 . 1 1 20 20 TYR N N 15 121.3 0.05 . 1 . . . . . . . . 5610 1 247 . 1 1 21 21 LYS H H 1 8.191 0.02 . 1 . . . . . . . . 5610 1 248 . 1 1 21 21 LYS HA H 1 3.961 0.02 . 1 . . . . . . . . 5610 1 249 . 1 1 21 21 LYS HB2 H 1 1.797 0.02 . 2 . . . . . . . . 5610 1 250 . 1 1 21 21 LYS HB3 H 1 1.962 0.02 . 2 . . . . . . . . 5610 1 251 . 1 1 21 21 LYS HG2 H 1 1.393 0.02 . 2 . . . . . . . . 5610 1 252 . 1 1 21 21 LYS HG3 H 1 1.525 0.02 . 2 . . . . . . . . 5610 1 253 . 1 1 21 21 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 5610 1 254 . 1 1 21 21 LYS HD3 H 1 1.709 0.02 . 2 . . . . . . . . 5610 1 255 . 1 1 21 21 LYS HE2 H 1 2.952 0.02 . 1 . . . . . . . . 5610 1 256 . 1 1 21 21 LYS HE3 H 1 2.952 0.02 . 1 . . . . . . . . 5610 1 257 . 1 1 21 21 LYS C C 13 179.3 0.05 . 1 . . . . . . . . 5610 1 258 . 1 1 21 21 LYS CA C 13 59.46 0.05 . 1 . . . . . . . . 5610 1 259 . 1 1 21 21 LYS CB C 13 32.4 0.05 . 1 . . . . . . . . 5610 1 260 . 1 1 21 21 LYS CG C 13 24.77 0.05 . 1 . . . . . . . . 5610 1 261 . 1 1 21 21 LYS CD C 13 29.56 0.05 . 1 . . . . . . . . 5610 1 262 . 1 1 21 21 LYS CE C 13 42.29 0.05 . 1 . . . . . . . . 5610 1 263 . 1 1 21 21 LYS N N 15 121.6 0.05 . 1 . . . . . . . . 5610 1 264 . 1 1 22 22 ALA H H 1 7.717 0.02 . 1 . . . . . . . . 5610 1 265 . 1 1 22 22 ALA HA H 1 4.174 0.02 . 1 . . . . . . . . 5610 1 266 . 1 1 22 22 ALA HB1 H 1 1.5 0.02 . 1 . . . . . . . . 5610 1 267 . 1 1 22 22 ALA HB2 H 1 1.5 0.02 . 1 . . . . . . . . 5610 1 268 . 1 1 22 22 ALA HB3 H 1 1.5 0.02 . 1 . . . . . . . . 5610 1 269 . 1 1 22 22 ALA C C 13 181 0.05 . 1 . . . . . . . . 5610 1 270 . 1 1 22 22 ALA CA C 13 55.19 0.05 . 1 . . . . . . . . 5610 1 271 . 1 1 22 22 ALA CB C 13 17.95 0.05 . 1 . . . . . . . . 5610 1 272 . 1 1 22 22 ALA N N 15 120.1 0.05 . 1 . . . . . . . . 5610 1 273 . 1 1 23 23 ILE H H 1 7.996 0.02 . 1 . . . . . . . . 5610 1 274 . 1 1 23 23 ILE HA H 1 4.12 0.02 . 1 . . . . . . . . 5610 1 275 . 1 1 23 23 ILE HB H 1 1.818 0.02 . 1 . . . . . . . . 5610 1 276 . 1 1 23 23 ILE HG12 H 1 1.167 0.02 . 2 . . . . . . . . 5610 1 277 . 1 1 23 23 ILE HG13 H 1 1.474 0.02 . 2 . . . . . . . . 5610 1 278 . 1 1 23 23 ILE HG21 H 1 0.7767 0.02 . 1 . . . . . . . . 5610 1 279 . 1 1 23 23 ILE HG22 H 1 0.7767 0.02 . 1 . . . . . . . . 5610 1 280 . 1 1 23 23 ILE HG23 H 1 0.7767 0.02 . 1 . . . . . . . . 5610 1 281 . 1 1 23 23 ILE HD11 H 1 0.6049 0.02 . 1 . . . . . . . . 5610 1 282 . 1 1 23 23 ILE HD12 H 1 0.6049 0.02 . 1 . . . . . . . . 5610 1 283 . 1 1 23 23 ILE HD13 H 1 0.6049 0.02 . 1 . . . . . . . . 5610 1 284 . 1 1 23 23 ILE C C 13 177.3 0.05 . 1 . . . . . . . . 5610 1 285 . 1 1 23 23 ILE CA C 13 63.79 0.05 . 1 . . . . . . . . 5610 1 286 . 1 1 23 23 ILE CB C 13 36.98 0.05 . 1 . . . . . . . . 5610 1 287 . 1 1 23 23 ILE CG1 C 13 29.49 0.05 . 1 . . . . . . . . 5610 1 288 . 1 1 23 23 ILE CG2 C 13 18.43 0.05 . 1 . . . . . . . . 5610 1 289 . 1 1 23 23 ILE CD1 C 13 12.81 0.05 . 1 . . . . . . . . 5610 1 290 . 1 1 23 23 ILE N N 15 119.4 0.05 . 1 . . . . . . . . 5610 1 291 . 1 1 24 24 SER H H 1 8.196 0.02 . 1 . . . . . . . . 5610 1 292 . 1 1 24 24 SER HA H 1 4.19 0.02 . 1 . . . . . . . . 5610 1 293 . 1 1 24 24 SER HB2 H 1 3.687 0.02 . 2 . . . . . . . . 5610 1 294 . 1 1 24 24 SER HB3 H 1 3.865 0.02 . 2 . . . . . . . . 5610 1 295 . 1 1 24 24 SER C C 13 177.4 0.05 . 1 . . . . . . . . 5610 1 296 . 1 1 24 24 SER CA C 13 61.81 0.05 . 1 . . . . . . . . 5610 1 297 . 1 1 24 24 SER CB C 13 62.29 0.05 . 1 . . . . . . . . 5610 1 298 . 1 1 24 24 SER N N 15 118.8 0.05 . 1 . . . . . . . . 5610 1 299 . 1 1 25 25 GLU H H 1 8.219 0.02 . 1 . . . . . . . . 5610 1 300 . 1 1 25 25 GLU HA H 1 4.055 0.02 . 1 . . . . . . . . 5610 1 301 . 1 1 25 25 GLU HB2 H 1 1.967 0.02 . 2 . . . . . . . . 5610 1 302 . 1 1 25 25 GLU HB3 H 1 2.15 0.02 . 2 . . . . . . . . 5610 1 303 . 1 1 25 25 GLU HG2 H 1 2.195 0.02 . 2 . . . . . . . . 5610 1 304 . 1 1 25 25 GLU HG3 H 1 2.443 0.02 . 2 . . . . . . . . 5610 1 305 . 1 1 25 25 GLU C C 13 179 0.05 . 1 . . . . . . . . 5610 1 306 . 1 1 25 25 GLU CA C 13 59.3 0.05 . 1 . . . . . . . . 5610 1 307 . 1 1 25 25 GLU CB C 13 29.05 0.05 . 1 . . . . . . . . 5610 1 308 . 1 1 25 25 GLU CG C 13 36.55 0.05 . 1 . . . . . . . . 5610 1 309 . 1 1 25 25 GLU N N 15 121.5 0.05 . 1 . . . . . . . . 5610 1 310 . 1 1 26 26 GLU H H 1 7.745 0.02 . 1 . . . . . . . . 5610 1 311 . 1 1 26 26 GLU HA H 1 4.023 0.02 . 1 . . . . . . . . 5610 1 312 . 1 1 26 26 GLU HB2 H 1 2.164 0.02 . 2 . . . . . . . . 5610 1 313 . 1 1 26 26 GLU HB3 H 1 2.077 0.02 . 2 . . . . . . . . 5610 1 314 . 1 1 26 26 GLU HG2 H 1 2.404 0.02 . 2 . . . . . . . . 5610 1 315 . 1 1 26 26 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . 5610 1 316 . 1 1 26 26 GLU C C 13 179.9 0.05 . 1 . . . . . . . . 5610 1 317 . 1 1 26 26 GLU CA C 13 59.54 0.05 . 1 . . . . . . . . 5610 1 318 . 1 1 26 26 GLU CB C 13 29.51 0.05 . 1 . . . . . . . . 5610 1 319 . 1 1 26 26 GLU CG C 13 36.36 0.05 . 1 . . . . . . . . 5610 1 320 . 1 1 26 26 GLU N N 15 121.1 0.05 . 1 . . . . . . . . 5610 1 321 . 1 1 27 27 LEU H H 1 8.541 0.02 . 1 . . . . . . . . 5610 1 322 . 1 1 27 27 LEU HA H 1 4.043 0.02 . 1 . . . . . . . . 5610 1 323 . 1 1 27 27 LEU HB2 H 1 1.229 0.02 . 2 . . . . . . . . 5610 1 324 . 1 1 27 27 LEU HB3 H 1 1.981 0.02 . 2 . . . . . . . . 5610 1 325 . 1 1 27 27 LEU HG H 1 1.563 0.02 . 2 . . . . . . . . 5610 1 326 . 1 1 27 27 LEU HD11 H 1 0.8601 0.02 . 2 . . . . . . . . 5610 1 327 . 1 1 27 27 LEU HD12 H 1 0.8601 0.02 . 2 . . . . . . . . 5610 1 328 . 1 1 27 27 LEU HD13 H 1 0.8601 0.02 . 2 . . . . . . . . 5610 1 329 . 1 1 27 27 LEU HD21 H 1 0.7404 0.02 . 2 . . . . . . . . 5610 1 330 . 1 1 27 27 LEU HD22 H 1 0.7404 0.02 . 2 . . . . . . . . 5610 1 331 . 1 1 27 27 LEU HD23 H 1 0.7404 0.02 . 2 . . . . . . . . 5610 1 332 . 1 1 27 27 LEU C C 13 177.6 0.05 . 1 . . . . . . . . 5610 1 333 . 1 1 27 27 LEU CA C 13 57.91 0.05 . 1 . . . . . . . . 5610 1 334 . 1 1 27 27 LEU CB C 13 41.08 0.05 . 1 . . . . . . . . 5610 1 335 . 1 1 27 27 LEU CG C 13 26.97 0.05 . 1 . . . . . . . . 5610 1 336 . 1 1 27 27 LEU CD1 C 13 25.47 0.05 . 1 . . . . . . . . 5610 1 337 . 1 1 27 27 LEU CD2 C 13 23.04 0.05 . 1 . . . . . . . . 5610 1 338 . 1 1 27 27 LEU N N 15 122.3 0.05 . 1 . . . . . . . . 5610 1 339 . 1 1 28 28 ASP H H 1 8.028 0.02 . 1 . . . . . . . . 5610 1 340 . 1 1 28 28 ASP HA H 1 4.276 0.02 . 1 . . . . . . . . 5610 1 341 . 1 1 28 28 ASP HB2 H 1 2.681 0.02 . 2 . . . . . . . . 5610 1 342 . 1 1 28 28 ASP HB3 H 1 2.6 0.02 . 2 . . . . . . . . 5610 1 343 . 1 1 28 28 ASP C C 13 179 0.05 . 1 . . . . . . . . 5610 1 344 . 1 1 28 28 ASP CA C 13 57.54 0.05 . 1 . . . . . . . . 5610 1 345 . 1 1 28 28 ASP CB C 13 40.8 0.05 . 1 . . . . . . . . 5610 1 346 . 1 1 28 28 ASP N N 15 118.9 0.05 . 1 . . . . . . . . 5610 1 347 . 1 1 29 29 HIS H H 1 7.98 0.02 . 1 . . . . . . . . 5610 1 348 . 1 1 29 29 HIS HA H 1 4.3 0.02 . 1 . . . . . . . . 5610 1 349 . 1 1 29 29 HIS HB2 H 1 3.28 0.02 . 1 . . . . . . . . 5610 1 350 . 1 1 29 29 HIS HB3 H 1 3.28 0.02 . 1 . . . . . . . . 5610 1 351 . 1 1 29 29 HIS HD2 H 1 7.291 0.02 . 2 . . . . . . . . 5610 1 352 . 1 1 29 29 HIS HE1 H 1 8.478 0.02 . 2 . . . . . . . . 5610 1 353 . 1 1 29 29 HIS C C 13 176.6 0.05 . 1 . . . . . . . . 5610 1 354 . 1 1 29 29 HIS CA C 13 58.18 0.05 . 1 . . . . . . . . 5610 1 355 . 1 1 29 29 HIS CB C 13 28.36 0.05 . 1 . . . . . . . . 5610 1 356 . 1 1 29 29 HIS CD2 C 13 119.2 0.05 . 1 . . . . . . . . 5610 1 357 . 1 1 29 29 HIS CE1 C 13 135.8 0.05 . 2 . . . . . . . . 5610 1 358 . 1 1 29 29 HIS N N 15 115.7 0.05 . 1 . . . . . . . . 5610 1 359 . 1 1 30 30 ALA H H 1 8.174 0.02 . 1 . . . . . . . . 5610 1 360 . 1 1 30 30 ALA HA H 1 4.133 0.02 . 1 . . . . . . . . 5610 1 361 . 1 1 30 30 ALA HB1 H 1 1.417 0.02 . 1 . . . . . . . . 5610 1 362 . 1 1 30 30 ALA HB2 H 1 1.417 0.02 . 1 . . . . . . . . 5610 1 363 . 1 1 30 30 ALA HB3 H 1 1.417 0.02 . 1 . . . . . . . . 5610 1 364 . 1 1 30 30 ALA C C 13 179.7 0.05 . 1 . . . . . . . . 5610 1 365 . 1 1 30 30 ALA CA C 13 54.57 0.05 . 1 . . . . . . . . 5610 1 366 . 1 1 30 30 ALA CB C 13 18.02 0.05 . 1 . . . . . . . . 5610 1 367 . 1 1 30 30 ALA N N 15 122.7 0.05 . 1 . . . . . . . . 5610 1 368 . 1 1 31 31 LEU H H 1 8.203 0.02 . 1 . . . . . . . . 5610 1 369 . 1 1 31 31 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 5610 1 370 . 1 1 31 31 LEU HB2 H 1 1.455 0.02 . 2 . . . . . . . . 5610 1 371 . 1 1 31 31 LEU HB3 H 1 1.781 0.02 . 2 . . . . . . . . 5610 1 372 . 1 1 31 31 LEU HG H 1 1.746 0.02 . 2 . . . . . . . . 5610 1 373 . 1 1 31 31 LEU HD11 H 1 0.8464 0.02 . 2 . . . . . . . . 5610 1 374 . 1 1 31 31 LEU HD12 H 1 0.8464 0.02 . 2 . . . . . . . . 5610 1 375 . 1 1 31 31 LEU HD13 H 1 0.8464 0.02 . 2 . . . . . . . . 5610 1 376 . 1 1 31 31 LEU HD21 H 1 0.8181 0.02 . 2 . . . . . . . . 5610 1 377 . 1 1 31 31 LEU HD22 H 1 0.8181 0.02 . 2 . . . . . . . . 5610 1 378 . 1 1 31 31 LEU HD23 H 1 0.8181 0.02 . 2 . . . . . . . . 5610 1 379 . 1 1 31 31 LEU C C 13 179.3 0.05 . 1 . . . . . . . . 5610 1 380 . 1 1 31 31 LEU CA C 13 56.37 0.05 . 1 . . . . . . . . 5610 1 381 . 1 1 31 31 LEU CB C 13 41.71 0.05 . 1 . . . . . . . . 5610 1 382 . 1 1 31 31 LEU CG C 13 26.76 0.05 . 1 . . . . . . . . 5610 1 383 . 1 1 31 31 LEU CD1 C 13 25.29 0.05 . 1 . . . . . . . . 5610 1 384 . 1 1 31 31 LEU CD2 C 13 22.26 0.05 . 1 . . . . . . . . 5610 1 385 . 1 1 31 31 LEU N N 15 116.9 0.05 . 1 . . . . . . . . 5610 1 386 . 1 1 32 32 LYS H H 1 7.755 0.02 . 1 . . . . . . . . 5610 1 387 . 1 1 32 32 LYS HA H 1 4.117 0.02 . 1 . . . . . . . . 5610 1 388 . 1 1 32 32 LYS HB2 H 1 1.799 0.02 . 1 . . . . . . . . 5610 1 389 . 1 1 32 32 LYS HB3 H 1 1.799 0.02 . 1 . . . . . . . . 5610 1 390 . 1 1 32 32 LYS HG2 H 1 1.395 0.02 . 2 . . . . . . . . 5610 1 391 . 1 1 32 32 LYS HG3 H 1 1.528 0.02 . 2 . . . . . . . . 5610 1 392 . 1 1 32 32 LYS HD2 H 1 1.594 0.02 . 2 . . . . . . . . 5610 1 393 . 1 1 32 32 LYS HD3 H 1 1.38 0.02 . 2 . . . . . . . . 5610 1 394 . 1 1 32 32 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 5610 1 395 . 1 1 32 32 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 5610 1 396 . 1 1 32 32 LYS C C 13 177.6 0.05 . 1 . . . . . . . . 5610 1 397 . 1 1 32 32 LYS CA C 13 57.82 0.05 . 1 . . . . . . . . 5610 1 398 . 1 1 32 32 LYS CB C 13 32.61 0.05 . 1 . . . . . . . . 5610 1 399 . 1 1 32 32 LYS CG C 13 24.98 0.05 . 1 . . . . . . . . 5610 1 400 . 1 1 32 32 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 5610 1 401 . 1 1 32 32 LYS CE C 13 42 0.05 . 1 . . . . . . . . 5610 1 402 . 1 1 32 32 LYS N N 15 120 0.05 . 1 . . . . . . . . 5610 1 403 . 1 1 33 33 ASP H H 1 8.141 0.02 . 1 . . . . . . . . 5610 1 404 . 1 1 33 33 ASP HA H 1 4.551 0.02 . 1 . . . . . . . . 5610 1 405 . 1 1 33 33 ASP HB2 H 1 2.635 0.02 . 2 . . . . . . . . 5610 1 406 . 1 1 33 33 ASP HB3 H 1 2.724 0.02 . 2 . . . . . . . . 5610 1 407 . 1 1 33 33 ASP C C 13 177.1 0.05 . 1 . . . . . . . . 5610 1 408 . 1 1 33 33 ASP CA C 13 55.15 0.05 . 1 . . . . . . . . 5610 1 409 . 1 1 33 33 ASP CB C 13 40.55 0.05 . 1 . . . . . . . . 5610 1 410 . 1 1 33 33 ASP N N 15 120.2 0.05 . 1 . . . . . . . . 5610 1 411 . 1 1 34 34 MET H H 1 8.065 0.02 . 1 . . . . . . . . 5610 1 412 . 1 1 34 34 MET HA H 1 4.452 0.02 . 1 . . . . . . . . 5610 1 413 . 1 1 34 34 MET HB2 H 1 2.067 0.02 . 2 . . . . . . . . 5610 1 414 . 1 1 34 34 MET HB3 H 1 2.147 0.02 . 2 . . . . . . . . 5610 1 415 . 1 1 34 34 MET HG2 H 1 2.544 0.02 . 2 . . . . . . . . 5610 1 416 . 1 1 34 34 MET HG3 H 1 2.647 0.02 . 2 . . . . . . . . 5610 1 417 . 1 1 34 34 MET HE1 H 1 2.049 0.02 . 1 . . . . . . . . 5610 1 418 . 1 1 34 34 MET HE2 H 1 2.049 0.02 . 1 . . . . . . . . 5610 1 419 . 1 1 34 34 MET HE3 H 1 2.049 0.02 . 1 . . . . . . . . 5610 1 420 . 1 1 34 34 MET C C 13 176.9 0.05 . 1 . . . . . . . . 5610 1 421 . 1 1 34 34 MET CA C 13 56.03 0.05 . 1 . . . . . . . . 5610 1 422 . 1 1 34 34 MET CB C 13 32.71 0.05 . 1 . . . . . . . . 5610 1 423 . 1 1 34 34 MET CG C 13 31.78 0.05 . 1 . . . . . . . . 5610 1 424 . 1 1 34 34 MET CE C 13 16.81 0.05 . 1 . . . . . . . . 5610 1 425 . 1 1 34 34 MET N N 15 120 0.05 . 1 . . . . . . . . 5610 1 426 . 1 1 35 35 THR H H 1 8.121 0.02 . 1 . . . . . . . . 5610 1 427 . 1 1 35 35 THR HA H 1 4.328 0.02 . 1 . . . . . . . . 5610 1 428 . 1 1 35 35 THR HB H 1 4.224 0.02 . 1 . . . . . . . . 5610 1 429 . 1 1 35 35 THR HG21 H 1 1.203 0.02 . 1 . . . . . . . . 5610 1 430 . 1 1 35 35 THR HG22 H 1 1.203 0.02 . 1 . . . . . . . . 5610 1 431 . 1 1 35 35 THR HG23 H 1 1.203 0.02 . 1 . . . . . . . . 5610 1 432 . 1 1 35 35 THR C C 13 174.7 0.05 . 1 . . . . . . . . 5610 1 433 . 1 1 35 35 THR CA C 13 62.29 0.05 . 1 . . . . . . . . 5610 1 434 . 1 1 35 35 THR CB C 13 69.88 0.05 . 1 . . . . . . . . 5610 1 435 . 1 1 35 35 THR CG2 C 13 21.52 0.05 . 1 . . . . . . . . 5610 1 436 . 1 1 35 35 THR N N 15 114.1 0.05 . 1 . . . . . . . . 5610 1 437 . 1 1 36 36 SER H H 1 8.253 0.02 . 1 . . . . . . . . 5610 1 438 . 1 1 36 36 SER HA H 1 4.5 0.02 . 1 . . . . . . . . 5610 1 439 . 1 1 36 36 SER HB2 H 1 3.945 0.02 . 2 . . . . . . . . 5610 1 440 . 1 1 36 36 SER HB3 H 1 3.845 0.02 . 2 . . . . . . . . 5610 1 441 . 1 1 36 36 SER C C 13 173.7 0.05 . 1 . . . . . . . . 5610 1 442 . 1 1 36 36 SER CA C 13 58.23 0.05 . 1 . . . . . . . . 5610 1 443 . 1 1 36 36 SER CB C 13 63.82 0.05 . 1 . . . . . . . . 5610 1 444 . 1 1 36 36 SER N N 15 119.1 0.05 . 1 . . . . . . . . 5610 1 445 . 1 1 37 37 ILE H H 1 7.783 0.02 . 1 . . . . . . . . 5610 1 446 . 1 1 37 37 ILE HA H 1 4.045 0.02 . 1 . . . . . . . . 5610 1 447 . 1 1 37 37 ILE HB H 1 1.803 0.02 . 1 . . . . . . . . 5610 1 448 . 1 1 37 37 ILE HG12 H 1 1.367 0.02 . 2 . . . . . . . . 5610 1 449 . 1 1 37 37 ILE HG13 H 1 1.109 0.02 . 2 . . . . . . . . 5610 1 450 . 1 1 37 37 ILE HG21 H 1 0.8508 0.02 . 1 . . . . . . . . 5610 1 451 . 1 1 37 37 ILE HG22 H 1 0.8508 0.02 . 1 . . . . . . . . 5610 1 452 . 1 1 37 37 ILE HG23 H 1 0.8508 0.02 . 1 . . . . . . . . 5610 1 453 . 1 1 37 37 ILE HD11 H 1 0.8253 0.02 . 1 . . . . . . . . 5610 1 454 . 1 1 37 37 ILE HD12 H 1 0.8253 0.02 . 1 . . . . . . . . 5610 1 455 . 1 1 37 37 ILE HD13 H 1 0.8253 0.02 . 1 . . . . . . . . 5610 1 456 . 1 1 37 37 ILE C C 13 181.4 0.05 . 1 . . . . . . . . 5610 1 457 . 1 1 37 37 ILE CA C 13 62.98 0.05 . 1 . . . . . . . . 5610 1 458 . 1 1 37 37 ILE CB C 13 39.37 0.05 . 1 . . . . . . . . 5610 1 459 . 1 1 37 37 ILE CG1 C 13 27.13 0.05 . 1 . . . . . . . . 5610 1 460 . 1 1 37 37 ILE CG2 C 13 17.9 0.05 . 1 . . . . . . . . 5610 1 461 . 1 1 37 37 ILE CD1 C 13 13.54 0.05 . 1 . . . . . . . . 5610 1 462 . 1 1 37 37 ILE N N 15 126.8 0.05 . 1 . . . . . . . . 5610 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 5610 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Condition_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _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 . . 1 $Sample_1 . 5610 1 . . 2 $Sample_2 . 5610 1 . . 3 $Sample_3 . 5610 1 . . 4 $Sample_4 . 5610 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 5 5 SER HA H 1 . . 1 1 5 5 SER H H 1 . 6.6 . . . . . . . . . . . . . . 5610 1 2 3JHNHA . 1 1 11 11 ASP HA H 1 . . 1 1 11 11 ASP H H 1 . 6.6 . . . . . . . . . . . . . . 5610 1 3 3JHNHA . 1 1 12 12 GLU HA H 1 . . 1 1 12 12 GLU H H 1 . 6.8 . . . . . . . . . . . . . . 5610 1 4 3JHNHA . 1 1 13 13 LEU HA H 1 . . 1 1 13 13 LEU H H 1 . 5.5 . . . . . . . . . . . . . . 5610 1 5 3JHNHA . 1 1 14 14 TYR HA H 1 . . 1 1 14 14 TYR H H 1 . 7.3 . . . . . . . . . . . . . . 5610 1 6 3JHNHA . 1 1 15 15 ALA HA H 1 . . 1 1 15 15 ALA H H 1 . 4.7 . . . . . . . . . . . . . . 5610 1 7 3JHNHA . 1 1 17 17 LYS HA H 1 . . 1 1 17 17 LYS H H 1 . 6.1 . . . . . . . . . . . . . . 5610 1 8 3JHNHA . 1 1 18 18 LEU HA H 1 . . 1 1 18 18 LEU H H 1 . 5.8 . . . . . . . . . . . . . . 5610 1 9 3JHNHA . 1 1 19 19 LYS HA H 1 . . 1 1 19 19 LYS H H 1 . 5.0 . . . . . . . . . . . . . . 5610 1 10 3JHNHA . 1 1 20 20 TYR HA H 1 . . 1 1 20 20 TYR H H 1 . 5.6 . . . . . . . . . . . . . . 5610 1 11 3JHNHA . 1 1 22 22 ALA HA H 1 . . 1 1 22 22 ALA H H 1 . 1.3 . . . . . . . . . . . . . . 5610 1 12 3JHNHA . 1 1 23 23 ILE HA H 1 . . 1 1 23 23 ILE H H 1 . 5.1 . . . . . . . . . . . . . . 5610 1 13 3JHNHA . 1 1 24 24 SER HA H 1 . . 1 1 24 24 SER H H 1 . 3.6 . . . . . . . . . . . . . . 5610 1 14 3JHNHA . 1 1 25 25 GLU HA H 1 . . 1 1 25 25 GLU H H 1 . 5.6 . . . . . . . . . . . . . . 5610 1 15 3JHNHA . 1 1 26 26 GLU HA H 1 . . 1 1 26 26 GLU H H 1 . 6.4 . . . . . . . . . . . . . . 5610 1 16 3JHNHA . 1 1 27 27 LEU HA H 1 . . 1 1 27 27 LEU H H 1 . 6.1 . . . . . . . . . . . . . . 5610 1 17 3JHNHA . 1 1 28 28 ASP HA H 1 . . 1 1 28 28 ASP H H 1 . 5.2 . . . . . . . . . . . . . . 5610 1 18 3JHNHA . 1 1 29 29 HIS HA H 1 . . 1 1 29 29 HIS H H 1 . 6.3 . . . . . . . . . . . . . . 5610 1 19 3JHNHA . 1 1 30 30 ALA HA H 1 . . 1 1 30 30 ALA H H 1 . 4.5 . . . . . . . . . . . . . . 5610 1 20 3JHNHA . 1 1 31 31 LEU HA H 1 . . 1 1 31 31 LEU H H 1 . 6.7 . . . . . . . . . . . . . . 5610 1 21 3JHNHA . 1 1 32 32 LYS HA H 1 . . 1 1 32 32 LYS H H 1 . 5.6 . . . . . . . . . . . . . . 5610 1 22 3JHNHA . 1 1 33 33 ASP HA H 1 . . 1 1 33 33 ASP H H 1 . 5.1 . . . . . . . . . . . . . . 5610 1 23 3JHNHA . 1 1 34 34 MET HA H 1 . . 1 1 34 34 MET H H 1 . 7.3 . . . . . . . . . . . . . . 5610 1 24 3JHNHA . 1 1 35 35 THR HA H 1 . . 1 1 35 35 THR H H 1 . 6.0 . . . . . . . . . . . . . . 5610 1 25 3JHNHA . 1 1 36 36 SER HA H 1 . . 1 1 36 36 SER H H 1 . 6.4 . . . . . . . . . . . . . . 5610 1 26 3JHNHA . 1 1 37 37 ILE HA H 1 . . 1 1 37 37 ILE H H 1 . 7.7 . . . . . . . . . . . . . . 5610 1 stop_ save_