data_15965 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15965 _Entry.Title ; Structural Transitions of the N Terminus of a Short Non-Muscle Tropomyosin upon Binding to the C Terminus in Solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-25 _Entry.Accession_date 2008-09-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The conformational changes in the N-terminal domain of tropomyosin upon binding to the C-terminal domain to form an "overlap" complex.' _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. . 15965 2 Lucy Kotylanskaya . . . 15965 3 Sarah Hitchcock-DeGregori . E. . 15965 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15965 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'actin binding protein' . 15965 'coiled coil' . 15965 'C terminus' . 15965 'cytoskeletal regulatory protein' . 15965 'N terminus' . 15965 'overlap complex' . 15965 'protein complex' . 15965 tropomyosin . 15965 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15965 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 123 15965 '15N chemical shifts' 41 15965 '1H chemical shifts' 273 15965 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 . . 2009-05-18 2008-09-25 update BMRB 'complete entry citation' 15965 1 . . 2009-04-02 2008-09-25 original author 'original release' 15965 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4995 'Solution NMR Structure and Folding Dynamics of TM1bZip' 15965 PDB 1IHQ 'structure of unbound TM1b(1-19)Zip, a peptide model of the N terminus of non-muscle tropomyosin' 15965 PDB 2K8X 'BMRB Entry Tracking System' 15965 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15965 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19170537 _Citation.Full_citation . _Citation.Title 'Structure of the N Terminus of a Nonmuscle alpha-Tropomyosin in Complex with the C Terminus: Implications for Actin Binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 6 _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 1272 _Citation.Page_last 1283 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Norma Greenfield . J. . 15965 1 2 Lucy Kotlyanskaya . . . 15965 1 3 Sarah Hitchcock-DeGregori . E. . 15965 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15965 _Assembly.ID 1 _Assembly.Name 'TM1b(1-19)Zip/TM9d252-284 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17020 _Assembly.Enzyme_commission_number . _Assembly.Details ; The structure is of a model peptide (TM1b(1-19)Zip) of the N terminus of non-muscle,low molecular weight rat alpha tropomyosin in complex with a model peptide of the C terminus of non-muscle/smooth muscle tropomyosins, Tm9d(252-284). TM1b(1-19)Zip is residues 1-19 encoded by exon 1b of the TPM1 gene followed by the last 18 residues of the yeast transcription factor, GCN4. Gly replaces the native N-terminal acetyl group. The C-terminal model contains residues 252-284 encoded by exon 8 and exon 9d with Gly-Cys-Gly-Gly at the N terminus to allow oxidatitive cross-linking. The TM1b(1-19)Zip is labeled with either 15N or 15N and 13C. TM9d(252-284) is unlabeled. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_2 2 $TM9d(252-284) A . no native no no . . 'Unlabeled no structural information' 15965 1 2 entity_1 1 $TM1b(1-19)Zip B . yes native yes yes . . 'Labeled with 15N or 15N and 13C' 15965 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 2 CYS 2 2 HG . 249 CYS HG 15965 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'intermolecular junction between low molecular weight non-muscle tropomyosin molecules' 15965 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM1b(1-19)Zip _Entity.Sf_category entity _Entity.Sf_framecode TM1b(1-19)Zip _Entity.Entry_ID 15965 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM1b(1-19)Zip _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAGSSSLEAVRRKIRSLQEQ NYHLENEVARLKKLVGER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 0-37 (sequence code) 1-38 (residue code, used in NMR determination) ; _Entity.Polymer_author_seq_details ; Residue 0 is a glycine group replacing a native acetyl group residue 1-19 are the first 19 residues of a rat non-muscle low molecular weight tropomyosin encoded by exon 1b (TPM1 gene). 0 is a glycine residue that substitutes for the native acetyl group. Residues 20-37 are the last 18 residues of the yeast transcription factor GCN4. ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4331.956 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no 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 3.46e-15 . . . . 15965 1 2 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 4.52e-16 . . . . 15965 1 3 no PDB 3AZD . "Crystal Structure Of Tropomyosin N-Terminal Fragment At 0.98a Resolution" . . . . . 97.37 37 100.00 100.00 3.41e-15 . . . . 15965 1 4 no DBJ BAD92278 . "TPM1 protein variant [Homo sapiens]" . . . . . 50.00 303 100.00 100.00 3.36e-01 . . . . 15965 1 5 no DBJ BAG11063 . "tropomyosin alpha-1 chain [synthetic construct]" . . . . . 50.00 245 100.00 100.00 1.84e-01 . . . . 15965 1 6 no DBJ BAH12832 . "unnamed protein product [Homo sapiens]" . . . . . 50.00 275 100.00 100.00 2.81e-01 . . . . 15965 1 7 no DBJ BAH13458 . "unnamed protein product [Homo sapiens]" . . . . . 50.00 248 100.00 100.00 1.72e-01 . . . . 15965 1 8 no GB AAA18098 . "alpha-tropomyosin 5a [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.64e-01 . . . . 15965 1 9 no GB AAA18099 . "alpha-tropomyosin 5b [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.56e-01 . . . . 15965 1 10 no GB AAA42253 . "brain alpha-tropomyosin (TMBr-2) [Rattus norvegicus]" . . . . . 50.00 251 100.00 100.00 2.16e-01 . . . . 15965 1 11 no GB AAH50473 . "TPM1 protein, partial [Homo sapiens]" . . . . . 50.00 287 100.00 100.00 3.24e-01 . . . . 15965 1 12 no GB AAH53545 . "Tropomyosin 1 (alpha) [Homo sapiens]" . . . . . 50.00 245 100.00 100.00 1.77e-01 . . . . 15965 1 13 no REF NP_001018008 . "tropomyosin alpha-1 chain isoform Tpm1.12br [Homo sapiens]" . . . . . 50.00 245 100.00 100.00 1.77e-01 . . . . 15965 1 14 no REF NP_001029245 . "tropomyosin alpha-1 chain isoform Tpm1.8cy [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.64e-01 . . . . 15965 1 15 no REF NP_001029246 . "tropomyosin alpha-1 chain isoform Tpm1.9cy [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.56e-01 . . . . 15965 1 16 no REF NP_001029247 . "tropomyosin alpha-1 chain isoform Tpm1.13 [Rattus norvegicus]" . . . . . 50.00 248 100.00 100.00 1.67e-01 . . . . 15965 1 17 no REF NP_001157724 . "tropomyosin alpha-1 chain isoform Tpm1.8cy [Mus musculus]" . . . . . 50.00 248 100.00 100.00 1.64e-01 . . . . 15965 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'binds tropomodulin' 15965 1 'forms intermolecular junction with the C terminus of neighboring tropomyosin molecule' 15965 1 'regulates actin filament dynamics' 15965 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 . 15965 1 2 . ALA . 15965 1 3 . GLY . 15965 1 4 . SER . 15965 1 5 . SER . 15965 1 6 . SER . 15965 1 7 . LEU . 15965 1 8 . GLU . 15965 1 9 . ALA . 15965 1 10 . VAL . 15965 1 11 . ARG . 15965 1 12 . ARG . 15965 1 13 . LYS . 15965 1 14 . ILE . 15965 1 15 . ARG . 15965 1 16 . SER . 15965 1 17 . LEU . 15965 1 18 . GLN . 15965 1 19 . GLU . 15965 1 20 . GLN . 15965 1 21 . ASN . 15965 1 22 . TYR . 15965 1 23 . HIS . 15965 1 24 . LEU . 15965 1 25 . GLU . 15965 1 26 . ASN . 15965 1 27 . GLU . 15965 1 28 . VAL . 15965 1 29 . ALA . 15965 1 30 . ARG . 15965 1 31 . LEU . 15965 1 32 . LYS . 15965 1 33 . LYS . 15965 1 34 . LEU . 15965 1 35 . VAL . 15965 1 36 . GLY . 15965 1 37 . GLU . 15965 1 38 . ARG . 15965 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 15965 1 . ALA 2 2 15965 1 . GLY 3 3 15965 1 . SER 4 4 15965 1 . SER 5 5 15965 1 . SER 6 6 15965 1 . LEU 7 7 15965 1 . GLU 8 8 15965 1 . ALA 9 9 15965 1 . VAL 10 10 15965 1 . ARG 11 11 15965 1 . ARG 12 12 15965 1 . LYS 13 13 15965 1 . ILE 14 14 15965 1 . ARG 15 15 15965 1 . SER 16 16 15965 1 . LEU 17 17 15965 1 . GLN 18 18 15965 1 . GLU 19 19 15965 1 . GLN 20 20 15965 1 . ASN 21 21 15965 1 . TYR 22 22 15965 1 . HIS 23 23 15965 1 . LEU 24 24 15965 1 . GLU 25 25 15965 1 . ASN 26 26 15965 1 . GLU 27 27 15965 1 . VAL 28 28 15965 1 . ALA 29 29 15965 1 . ARG 30 30 15965 1 . LEU 31 31 15965 1 . LYS 32 32 15965 1 . LYS 33 33 15965 1 . LEU 34 34 15965 1 . VAL 35 35 15965 1 . GLY 36 36 15965 1 . GLU 37 37 15965 1 . ARG 38 38 15965 1 stop_ save_ save_TM9d(252-284) _Entity.Sf_category entity _Entity.Sf_framecode TM9d(252-284) _Entity.Entry_ID 15965 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TM9d(252-284) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCGGSIDDLEEKVAHAKEEN LSMHQMLDQTLLELNNM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 248-284 sequence code 1-36 residue code ; _Entity.Polymer_author_seq_details ; Residues 252-284 are encoded by exon 8 and 9d or rat alpha tropomyosin (TPM1 gene). Residues 248-251, GCGG were added to allow disulfide cross linking. ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4115.06 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'There is no NMR structural information on this molecule. It is unlabeled and is not in the PDB file.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3MUD . "Structure Of The Tropomyosin Overlap Complex From Chicken Smooth Muscle" . . . . . 89.19 175 96.97 100.00 9.42e-12 . . . . 15965 2 2 no DBJ BAB22620 . "unnamed protein product [Mus musculus]" . . . . . 91.89 284 97.06 97.06 6.97e-13 . . . . 15965 2 3 no DBJ BAD18535 . "unnamed protein product [Homo sapiens]" . . . . . 91.89 326 97.06 97.06 1.12e-12 . . . . 15965 2 4 no DBJ BAE88136 . "unnamed protein product [Macaca fascicularis]" . . . . . 91.89 284 97.06 97.06 7.88e-13 . . . . 15965 2 5 no DBJ BAH13458 . "unnamed protein product [Homo sapiens]" . . . . . 89.19 248 100.00 100.00 5.07e-13 . . . . 15965 2 6 no EMBL CAA03930 . "alpha-tropomyosin [Homo sapiens]" . . . . . 89.19 48 100.00 100.00 4.63e-13 . . . . 15965 2 7 no EMBL CAA04505 . "alpha-tropomyosin [Homo sapiens]" . . . . . 89.19 48 100.00 100.00 4.63e-13 . . . . 15965 2 8 no EMBL CAA26258 . "unnamed protein product [Rattus norvegicus]" . . . . . 89.19 280 96.97 96.97 2.10e-11 . . . . 15965 2 9 no EMBL CAA30930 . "tropomyosin (227 AA) [Homo sapiens]" . . . . . 91.89 227 97.06 97.06 6.53e-13 . . . . 15965 2 10 no EMBL CAB43309 . "hypothetical protein [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 7.72e-13 . . . . 15965 2 11 no GB AAA18097 . "alpha-tropomyosin 3 [Rattus norvegicus]" . . . . . 91.89 284 97.06 97.06 5.61e-13 . . . . 15965 2 12 no GB AAA18098 . "alpha-tropomyosin 5a [Rattus norvegicus]" . . . . . 89.19 248 100.00 100.00 4.68e-13 . . . . 15965 2 13 no GB AAA18099 . "alpha-tropomyosin 5b [Rattus norvegicus]" . . . . . 89.19 248 100.00 100.00 3.99e-13 . . . . 15965 2 14 no GB AAA36771 . "tropomyosin [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 5.61e-13 . . . . 15965 2 15 no GB AAA40483 . "tropomyosin isoform 2 [Mus musculus]" . . . . . 91.89 284 97.06 97.06 6.97e-13 . . . . 15965 2 16 no PIR A22165 . "tropomyosin alpha chain, smooth muscle - rat" . . . . . 89.19 280 96.97 96.97 2.10e-11 . . . . 15965 2 17 no PRF 1105305A . "tropomyosin alpha" . . . . . 89.19 280 96.97 96.97 2.10e-11 . . . . 15965 2 18 no REF NP_001018004 . "tropomyosin alpha-1 chain isoform Tpm1.6cy [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 6.75e-13 . . . . 15965 2 19 no REF NP_001018006 . "tropomyosin alpha-1 chain isoform Tpm1.7cy [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 5.61e-13 . . . . 15965 2 20 no REF NP_001018007 . "tropomyosin alpha-1 chain isoform Tpm1.4sm [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 7.72e-13 . . . . 15965 2 21 no REF NP_001018020 . "tropomyosin alpha-1 chain isoform Tpm1.3sm [Homo sapiens]" . . . . . 91.89 284 97.06 97.06 6.09e-13 . . . . 15965 2 22 no REF NP_001029241 . "tropomyosin alpha-1 chain isoform Tpm1.6cy [Rattus norvegicus]" . . . . . 91.89 284 97.06 97.06 6.97e-13 . . . . 15965 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'actin binding site, part of intramolecule junction between tropomyosin molecules' 15965 2 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 . 15965 2 2 . CYS . 15965 2 3 . GLY . 15965 2 4 . GLY . 15965 2 5 . SER . 15965 2 6 . ILE . 15965 2 7 . ASP . 15965 2 8 . ASP . 15965 2 9 . LEU . 15965 2 10 . GLU . 15965 2 11 . GLU . 15965 2 12 . LYS . 15965 2 13 . VAL . 15965 2 14 . ALA . 15965 2 15 . HIS . 15965 2 16 . ALA . 15965 2 17 . LYS . 15965 2 18 . GLU . 15965 2 19 . GLU . 15965 2 20 . ASN . 15965 2 21 . LEU . 15965 2 22 . SER . 15965 2 23 . MET . 15965 2 24 . HIS . 15965 2 25 . GLN . 15965 2 26 . MET . 15965 2 27 . LEU . 15965 2 28 . ASP . 15965 2 29 . GLN . 15965 2 30 . THR . 15965 2 31 . LEU . 15965 2 32 . LEU . 15965 2 33 . GLU . 15965 2 34 . LEU . 15965 2 35 . ASN . 15965 2 36 . ASN . 15965 2 37 . MET . 15965 2 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 15965 2 . CYS 2 2 15965 2 . GLY 3 3 15965 2 . GLY 4 4 15965 2 . SER 5 5 15965 2 . ILE 6 6 15965 2 . ASP 7 7 15965 2 . ASP 8 8 15965 2 . LEU 9 9 15965 2 . GLU 10 10 15965 2 . GLU 11 11 15965 2 . LYS 12 12 15965 2 . VAL 13 13 15965 2 . ALA 14 14 15965 2 . HIS 15 15 15965 2 . ALA 16 16 15965 2 . LYS 17 17 15965 2 . GLU 18 18 15965 2 . GLU 19 19 15965 2 . ASN 20 20 15965 2 . LEU 21 21 15965 2 . SER 22 22 15965 2 . MET 23 23 15965 2 . HIS 24 24 15965 2 . GLN 25 25 15965 2 . MET 26 26 15965 2 . LEU 27 27 15965 2 . ASP 28 28 15965 2 . GLN 29 29 15965 2 . THR 30 30 15965 2 . LEU 31 31 15965 2 . LEU 32 32 15965 2 . GLU 33 33 15965 2 . LEU 34 34 15965 2 . ASN 35 35 15965 2 . ASN 36 36 15965 2 . MET 37 37 15965 2 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 15965 _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 $TM1b(1-19)Zip . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . TPM1 . 'Residues 1-19 are the first 19 of encoded by exon 1b.' . . 15965 1 2 2 $TM9d(252-284) . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . TPM1 . 'Residues 252-284 are encoded by part of exon 8 and all of exon 9d' . . 15965 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 15965 _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 $TM1b(1-19)Zip . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DH5alpha . . . . . . . . . . . . . . . 'pPROEX HTa' . . . . . . 15965 1 2 2 $TM9d(252-284) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15965 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15965 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 13C, 15N TM1b(1-19)Zip + umlabled TM9d(252-284) 100 mM NaCl, 10 mM sodium phosphate, pH 6.4 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TM1b(1-14)Zip '[U-99% 13C; U-99% 15N]' . . 1 $TM1b(1-19)Zip . . 1 . . mM 0.1 . . . 15965 1 2 TM9d(252-284) 'natural abundance' . . 2 $TM9d(252-284) . . 1 . . mM 0.1 . . . 15965 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15965 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15965 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15965 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 15N TM1b(1-19)Zip + umlabeled TM9d(252-284) 100 mM NaCl, 10 mM sodium phosphate, pH 6.4 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TM1b(1-19)Zip [U-15N] . . 1 $TM1b(1-19)Zip . . 1 . . mM 0.1 . . . 15965 2 2 TM9d(252-284) 'natural abundance' . . 2 $TM9d(252-284) . . 1 . . mM 0.1 . . . 15965 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15965 2 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15965 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15965 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; heterodimer of 13C, 15N TM1b(1-19)Zip + unlabeled TM1b(1-19)Zip and unlabeled TM9d(252-284) 100 mM NaCl, 10 mM sodium phosphate, pH 6.4 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TM1b(1-19)Zip '[U-99% 13C; U-99% 15N]' . . 1 $TM1b(1-19)Zip . . 0.5 . . mM 0.05 . . . 15965 3 2 TM1b(1-19)Zip 'natural abundance' . . 1 $TM1b(1-19)Zip . . 0.5 . . mM 0.05 . . . 15965 3 3 TM9d(252-284) 'natural abundance' . . 2 $TM9d(252-284) . . 1 . . mM 0.1 . . . 15965 3 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15965 3 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15965 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15965 _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' 0.14 . M 15965 1 pH 6.4 . pH 15965 1 pressure 1 . atm 15965 1 temperature 293 0.1 K 15965 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15965 _Software.ID 1 _Software.Name AutoStruct _Software.Version 1.12 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' 'CABM, Rutgers University, Piscataway, NJ' guy@cabm.rutgers.edu 15965 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15965 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15965 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15965 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15965 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15965 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.111 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15965 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15965 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15965 _Software.ID 4 _Software.Name NMRPipe _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15965 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15965 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15965 _Software.ID 5 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15965 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15965 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15965 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15965 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Biospin _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15965 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15965 1 2 spectrometer_2 Bruker Biospin . 800 . . . 15965 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 15965 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15965 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 11 '13C 15N X-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 12 '13C 15N X-filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15965 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15965 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 'insert at center of experimental sample tube' cylindrical . . . . . . . 15965 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 other cylindrical . . . . . . . 15965 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 other cylindrical . . . . . . . 15965 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15965 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 '3D CBCA(CO)NH' . . . 15965 1 4 '3D HNCO' . . . 15965 1 6 '3D HNCA' . . . 15965 1 7 '3D HNCACB' . . . 15965 1 8 '3D HBHA(CO)NH' . . . 15965 1 9 '3D HN(CO)CA' . . . 15965 1 14 '3D HCCH-COSY' . . . 15965 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $AutoStructure . . 15965 1 2 $CNS . . 15965 1 3 $SPARKY . . 15965 1 4 $NMRPipe . . 15965 1 5 $NMRDraw . . 15965 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 . 2 1 1 1 GLY HA2 H 1 3.855 0.05 . 1 . . . . 1 GLY HA2 . 15965 1 2 . 2 1 1 1 GLY HA3 H 1 3.855 0.05 . 1 . . . . 1 GLY HA3 . 15965 1 3 . 2 1 1 1 GLY CA C 13 43.523 0.5 . 1 . . . . 1 GLY CA . 15965 1 4 . 2 1 2 2 ALA H H 1 8.725 0.05 . 1 . . . . 2 ALA H . 15965 1 5 . 2 1 2 2 ALA HA H 1 4.373 0.05 . 1 . . . . 2 ALA HA . 15965 1 6 . 2 1 2 2 ALA HB1 H 1 1.402 0.05 . 1 . . . . 2 ALA HB . 15965 1 7 . 2 1 2 2 ALA HB2 H 1 1.402 0.05 . 1 . . . . 2 ALA HB . 15965 1 8 . 2 1 2 2 ALA HB3 H 1 1.402 0.05 . 1 . . . . 2 ALA HB . 15965 1 9 . 2 1 2 2 ALA CA C 13 52.891 0.5 . 1 . . . . 2 ALA CA . 15965 1 10 . 2 1 2 2 ALA CB C 13 19.489 0.5 . 1 . . . . 2 ALA CB . 15965 1 11 . 2 1 2 2 ALA N N 15 124.084 0.5 . 1 . . . . 2 ALA N . 15965 1 12 . 2 1 3 3 GLY H H 1 8.647 0.05 . 1 . . . . 3 GLY H . 15965 1 13 . 2 1 3 3 GLY HA2 H 1 3.996 0.05 . 2 . . . . 3 GLY HA2 . 15965 1 14 . 2 1 3 3 GLY HA3 H 1 3.996 0.05 . 2 . . . . 3 GLY HA3 . 15965 1 15 . 2 1 3 3 GLY CA C 13 45.438 0.5 . 1 . . . . 3 GLY CA . 15965 1 16 . 2 1 3 3 GLY N N 15 108.827 0.5 . 1 . . . . 3 GLY N . 15965 1 17 . 2 1 4 4 SER H H 1 8.311 0.05 . 1 . . . . 4 SER H . 15965 1 18 . 2 1 4 4 SER HA H 1 4.493 0.05 . 1 . . . . 4 SER HA . 15965 1 19 . 2 1 4 4 SER HB2 H 1 3.902 0.05 . 2 . . . . 4 SER HB2 . 15965 1 20 . 2 1 4 4 SER HB3 H 1 3.976 0.05 . 2 . . . . 4 SER HB3 . 15965 1 21 . 2 1 4 4 SER CA C 13 58.607 0.5 . 1 . . . . 4 SER CA . 15965 1 22 . 2 1 4 4 SER CB C 13 63.715 0.5 . 1 . . . . 4 SER CB . 15965 1 23 . 2 1 4 4 SER N N 15 115.868 0.5 . 1 . . . . 4 SER N . 15965 1 24 . 2 1 5 5 SER H H 1 8.62 0.05 . 1 . . . . 5 SER H . 15965 1 25 . 2 1 5 5 SER HA H 1 4.469 0.05 . 1 . . . . 5 SER HA . 15965 1 26 . 2 1 5 5 SER HB2 H 1 4.022 0.05 . 2 . . . . 5 SER HB2 . 15965 1 27 . 2 1 5 5 SER HB3 H 1 3.939 0.05 . 2 . . . . 5 SER HB3 . 15965 1 28 . 2 1 5 5 SER CA C 13 59.103 0.5 . 1 . . . . 5 SER CA . 15965 1 29 . 2 1 5 5 SER CB C 13 63.474 0.5 . 1 . . . . 5 SER CB . 15965 1 30 . 2 1 5 5 SER N N 15 118.963 0.5 . 1 . . . . 5 SER N . 15965 1 31 . 2 1 6 6 SER H H 1 8.49 0.05 . 1 . . . . 6 SER H . 15965 1 32 . 2 1 6 6 SER HA H 1 4.388 0.05 . 1 . . . . 6 SER HA . 15965 1 33 . 2 1 6 6 SER HB2 H 1 3.905 0.05 . 2 . . . . 6 SER HB2 . 15965 1 34 . 2 1 6 6 SER HB3 H 1 3.936 0.05 . 2 . . . . 6 SER HB3 . 15965 1 35 . 2 1 6 6 SER CA C 13 59.989 0.5 . 1 . . . . 6 SER CA . 15965 1 36 . 2 1 6 6 SER CB C 13 63.455 0.5 . 1 . . . . 6 SER CB . 15965 1 37 . 2 1 6 6 SER N N 15 119.176 0.5 . 1 . . . . 6 SER N . 15965 1 38 . 2 1 7 7 LEU H H 1 8.281 0.05 . 1 . . . . 7 LEU H . 15965 1 39 . 2 1 7 7 LEU HA H 1 4.129 0.05 . 1 . . . . 7 LEU HA . 15965 1 40 . 2 1 7 7 LEU HB2 H 1 1.737 0.05 . 2 . . . . 7 LEU HB2 . 15965 1 41 . 2 1 7 7 LEU HB3 H 1 1.62 0.05 . 2 . . . . 7 LEU HB3 . 15965 1 42 . 2 1 7 7 LEU HD11 H 1 0.903 0.05 . 2 . . . . 7 LEU HD1 . 15965 1 43 . 2 1 7 7 LEU HD12 H 1 0.903 0.05 . 2 . . . . 7 LEU HD1 . 15965 1 44 . 2 1 7 7 LEU HD13 H 1 0.903 0.05 . 2 . . . . 7 LEU HD1 . 15965 1 45 . 2 1 7 7 LEU HD21 H 1 0.91 0.05 . 2 . . . . 7 LEU HD2 . 15965 1 46 . 2 1 7 7 LEU HD22 H 1 0.91 0.05 . 2 . . . . 7 LEU HD2 . 15965 1 47 . 2 1 7 7 LEU HD23 H 1 0.91 0.05 . 2 . . . . 7 LEU HD2 . 15965 1 48 . 2 1 7 7 LEU HG H 1 1.59 0.05 . 1 . . . . 7 LEU HG . 15965 1 49 . 2 1 7 7 LEU CA C 13 57.627 0.5 . 1 . . . . 7 LEU CA . 15965 1 50 . 2 1 7 7 LEU CB C 13 41.789 0.5 . 1 . . . . 7 LEU CB . 15965 1 51 . 2 1 7 7 LEU CD1 C 13 24.455 0.5 . 2 . . . . 7 LEU CD1 . 15965 1 52 . 2 1 7 7 LEU CD2 C 13 24.475 0.5 . 2 . . . . 7 LEU CD2 . 15965 1 53 . 2 1 7 7 LEU CG C 13 27.404 0.5 . 1 . . . . 7 LEU CG . 15965 1 54 . 2 1 7 7 LEU N N 15 123.537 0.5 . 1 . . . . 7 LEU N . 15965 1 55 . 2 1 8 8 GLU H H 1 8.192 0.05 . 1 . . . . 8 GLU H . 15965 1 56 . 2 1 8 8 GLU HA H 1 4.028 0.05 . 1 . . . . 8 GLU HA . 15965 1 57 . 2 1 8 8 GLU HB2 H 1 2.036 0.05 . 2 . . . . 8 GLU HB2 . 15965 1 58 . 2 1 8 8 GLU HB3 H 1 2.08 0.05 . 2 . . . . 8 GLU HB3 . 15965 1 59 . 2 1 8 8 GLU HG2 H 1 2.332 0.05 . 2 . . . . 8 GLU HG2 . 15965 1 60 . 2 1 8 8 GLU HG3 H 1 2.332 0.05 . 2 . . . . 8 GLU HG3 . 15965 1 61 . 2 1 8 8 GLU CA C 13 59.357 0.5 . 1 . . . . 8 GLU CA . 15965 1 62 . 2 1 8 8 GLU CB C 13 29.135 0.5 . 1 . . . . 8 GLU CB . 15965 1 63 . 2 1 8 8 GLU CG C 13 35.981 0.5 . 1 . . . . 8 GLU CG . 15965 1 64 . 2 1 8 8 GLU N N 15 118.872 0.5 . 1 . . . . 8 GLU N . 15965 1 65 . 2 1 9 9 ALA H H 1 7.973 0.05 . 1 . . . . 9 ALA H . 15965 1 66 . 2 1 9 9 ALA HA H 1 4.09 0.05 . 1 . . . . 9 ALA HA . 15965 1 67 . 2 1 9 9 ALA HB1 H 1 1.515 0.05 . 1 . . . . 9 ALA HB . 15965 1 68 . 2 1 9 9 ALA HB2 H 1 1.515 0.05 . 1 . . . . 9 ALA HB . 15965 1 69 . 2 1 9 9 ALA HB3 H 1 1.515 0.05 . 1 . . . . 9 ALA HB . 15965 1 70 . 2 1 9 9 ALA CA C 13 55.445 0.5 . 1 . . . . 9 ALA CA . 15965 1 71 . 2 1 9 9 ALA CB C 13 18.235 0.5 . 1 . . . . 9 ALA CB . 15965 1 72 . 2 1 9 9 ALA N N 15 121.399 0.5 . 1 . . . . 9 ALA N . 15965 1 73 . 2 1 10 10 VAL H H 1 7.889 0.05 . 1 . . . . 10 VAL H . 15965 1 74 . 2 1 10 10 VAL HA H 1 3.731 0.05 . 1 . . . . 10 VAL HA . 15965 1 75 . 2 1 10 10 VAL HB H 1 2.186 0.05 . 1 . . . . 10 VAL HB . 15965 1 76 . 2 1 10 10 VAL HG11 H 1 1.065 0.05 . 2 . . . . 10 VAL HG1 . 15965 1 77 . 2 1 10 10 VAL HG12 H 1 1.065 0.05 . 2 . . . . 10 VAL HG1 . 15965 1 78 . 2 1 10 10 VAL HG13 H 1 1.065 0.05 . 2 . . . . 10 VAL HG1 . 15965 1 79 . 2 1 10 10 VAL HG21 H 1 0.932 0.05 . 2 . . . . 10 VAL HG2 . 15965 1 80 . 2 1 10 10 VAL HG22 H 1 0.932 0.05 . 2 . . . . 10 VAL HG2 . 15965 1 81 . 2 1 10 10 VAL HG23 H 1 0.932 0.05 . 2 . . . . 10 VAL HG2 . 15965 1 82 . 2 1 10 10 VAL CA C 13 66.289 0.5 . 1 . . . . 10 VAL CA . 15965 1 83 . 2 1 10 10 VAL CB C 13 31.617 0.5 . 1 . . . . 10 VAL CB . 15965 1 84 . 2 1 10 10 VAL CG1 C 13 23.519 0.5 . 2 . . . . 10 VAL CG1 . 15965 1 85 . 2 1 10 10 VAL CG2 C 13 22.681 0.5 . 2 . . . . 10 VAL CG2 . 15965 1 86 . 2 1 10 10 VAL N N 15 119.522 0.5 . 1 . . . . 10 VAL N . 15965 1 87 . 2 1 11 11 ARG H H 1 8.299 0.05 . 1 . . . . 11 ARG H . 15965 1 88 . 2 1 11 11 ARG HA H 1 3.844 0.05 . 1 . . . . 11 ARG HA . 15965 1 89 . 2 1 11 11 ARG HB2 H 1 1.925 0.05 . 2 . . . . 11 ARG HB2 . 15965 1 90 . 2 1 11 11 ARG HB3 H 1 1.893 0.05 . 2 . . . . 11 ARG HB3 . 15965 1 91 . 2 1 11 11 ARG HD2 H 1 3.18 0.05 . 2 . . . . 11 ARG HD2 . 15965 1 92 . 2 1 11 11 ARG HD3 H 1 3.18 0.05 . 2 . . . . 11 ARG HD3 . 15965 1 93 . 2 1 11 11 ARG HG2 H 1 1.837 0.05 . 2 . . . . 11 ARG HG2 . 15965 1 94 . 2 1 11 11 ARG HG3 H 1 1.565 0.05 . 2 . . . . 11 ARG HG3 . 15965 1 95 . 2 1 11 11 ARG CA C 13 60.565 0.5 . 1 . . . . 11 ARG CA . 15965 1 96 . 2 1 11 11 ARG CB C 13 30.302 0.5 . 1 . . . . 11 ARG CB . 15965 1 97 . 2 1 11 11 ARG CD C 13 43.672 0.5 . 1 . . . . 11 ARG CD . 15965 1 98 . 2 1 11 11 ARG CG C 13 28.18 0.5 . 1 . . . . 11 ARG CG . 15965 1 99 . 2 1 11 11 ARG N N 15 120.475 0.5 . 1 . . . . 11 ARG N . 15965 1 100 . 2 1 12 12 ARG H H 1 8.183 0.05 . 1 . . . . 12 ARG H . 15965 1 101 . 2 1 12 12 ARG HA H 1 3.998 0.05 . 1 . . . . 12 ARG HA . 15965 1 102 . 2 1 12 12 ARG HB2 H 1 1.943 0.05 . 2 . . . . 12 ARG HB2 . 15965 1 103 . 2 1 12 12 ARG HB3 H 1 1.943 0.05 . 2 . . . . 12 ARG HB3 . 15965 1 104 . 2 1 12 12 ARG HD2 H 1 3.222 0.05 . 2 . . . . 12 ARG HD2 . 15965 1 105 . 2 1 12 12 ARG HD3 H 1 3.222 0.05 . 2 . . . . 12 ARG HD3 . 15965 1 106 . 2 1 12 12 ARG HG2 H 1 1.634 0.05 . 2 . . . . 12 ARG HG2 . 15965 1 107 . 2 1 12 12 ARG HG3 H 1 1.855 0.05 . 2 . . . . 12 ARG HG3 . 15965 1 108 . 2 1 12 12 ARG CA C 13 59.526 0.5 . 1 . . . . 12 ARG CA . 15965 1 109 . 2 1 12 12 ARG CB C 13 30.264 0.5 . 1 . . . . 12 ARG CB . 15965 1 110 . 2 1 12 12 ARG CD C 13 43.617 0.5 . 1 . . . . 12 ARG CD . 15965 1 111 . 2 1 12 12 ARG CG C 13 27.938 0.5 . 1 . . . . 12 ARG CG . 15965 1 112 . 2 1 12 12 ARG N N 15 118.44 0.5 . 1 . . . . 12 ARG N . 15965 1 113 . 2 1 13 13 LYS H H 1 7.972 0.05 . 1 . . . . 13 LYS H . 15965 1 114 . 2 1 13 13 LYS HA H 1 4.147 0.05 . 1 . . . . 13 LYS HA . 15965 1 115 . 2 1 13 13 LYS HB2 H 1 2.054 0.05 . 2 . . . . 13 LYS HB2 . 15965 1 116 . 2 1 13 13 LYS HB3 H 1 2.105 0.05 . 2 . . . . 13 LYS HB3 . 15965 1 117 . 2 1 13 13 LYS HD2 H 1 1.709 0.05 . 2 . . . . 13 LYS HD2 . 15965 1 118 . 2 1 13 13 LYS HD3 H 1 1.526 0.05 . 2 . . . . 13 LYS HD3 . 15965 1 119 . 2 1 13 13 LYS HE2 H 1 3.029 0.05 . 2 . . . . 13 LYS HE2 . 15965 1 120 . 2 1 13 13 LYS HE3 H 1 3.254 0.05 . 2 . . . . 13 LYS HE3 . 15965 1 121 . 2 1 13 13 LYS HG2 H 1 1.599 0.05 . 2 . . . . 13 LYS HG2 . 15965 1 122 . 2 1 13 13 LYS HG3 H 1 1.37 0.05 . 2 . . . . 13 LYS HG3 . 15965 1 123 . 2 1 13 13 LYS CA C 13 59.104 0.5 . 1 . . . . 13 LYS CA . 15965 1 124 . 2 1 13 13 LYS CB C 13 32.697 0.5 . 1 . . . . 13 LYS CB . 15965 1 125 . 2 1 13 13 LYS CD C 13 29.456 0.5 . 1 . . . . 13 LYS CD . 15965 1 126 . 2 1 13 13 LYS CE C 13 41.458 0.5 . 1 . . . . 13 LYS CE . 15965 1 127 . 2 1 13 13 LYS CG C 13 24.821 0.5 . 1 . . . . 13 LYS CG . 15965 1 128 . 2 1 13 13 LYS N N 15 122.454 0.5 . 1 . . . . 13 LYS N . 15965 1 129 . 2 1 14 14 ILE H H 1 8.291 0.05 . 1 . . . . 14 ILE H . 15965 1 130 . 2 1 14 14 ILE HA H 1 3.526 0.05 . 1 . . . . 14 ILE HA . 15965 1 131 . 2 1 14 14 ILE HB H 1 1.911 0.05 . 1 . . . . 14 ILE HB . 15965 1 132 . 2 1 14 14 ILE HD11 H 1 0.869 0.05 . 1 . . . . 14 ILE HD1 . 15965 1 133 . 2 1 14 14 ILE HD12 H 1 0.869 0.05 . 1 . . . . 14 ILE HD1 . 15965 1 134 . 2 1 14 14 ILE HD13 H 1 0.869 0.05 . 1 . . . . 14 ILE HD1 . 15965 1 135 . 2 1 14 14 ILE HG12 H 1 1.821 0.05 . 2 . . . . 14 ILE HG12 . 15965 1 136 . 2 1 14 14 ILE HG13 H 1 1.87 0.05 . 2 . . . . 14 ILE HG13 . 15965 1 137 . 2 1 14 14 ILE HG21 H 1 0.842 0.05 . 1 . . . . 14 ILE HG2 . 15965 1 138 . 2 1 14 14 ILE HG22 H 1 0.842 0.05 . 1 . . . . 14 ILE HG2 . 15965 1 139 . 2 1 14 14 ILE HG23 H 1 0.842 0.05 . 1 . . . . 14 ILE HG2 . 15965 1 140 . 2 1 14 14 ILE CA C 13 66.269 0.5 . 1 . . . . 14 ILE CA . 15965 1 141 . 2 1 14 14 ILE CB C 13 37.845 0.5 . 1 . . . . 14 ILE CB . 15965 1 142 . 2 1 14 14 ILE CD1 C 13 14.607 0.5 . 1 . . . . 14 ILE CD1 . 15965 1 143 . 2 1 14 14 ILE CG1 C 13 30.606 0.5 . 1 . . . . 14 ILE CG1 . 15965 1 144 . 2 1 14 14 ILE CG2 C 13 16.977 0.5 . 1 . . . . 14 ILE CG2 . 15965 1 145 . 2 1 14 14 ILE N N 15 119.298 0.5 . 1 . . . . 14 ILE N . 15965 1 146 . 2 1 15 15 ARG H H 1 8.047 0.05 . 1 . . . . 15 ARG H . 15965 1 147 . 2 1 15 15 ARG HA H 1 4.25 0.05 . 1 . . . . 15 ARG HA . 15965 1 148 . 2 1 15 15 ARG HB2 H 1 1.929 0.05 . 2 . . . . 15 ARG HB2 . 15965 1 149 . 2 1 15 15 ARG HB3 H 1 1.907 0.05 . 2 . . . . 15 ARG HB3 . 15965 1 150 . 2 1 15 15 ARG HD2 H 1 3.248 0.05 . 2 . . . . 15 ARG HD2 . 15965 1 151 . 2 1 15 15 ARG HD3 H 1 3.248 0.05 . 2 . . . . 15 ARG HD3 . 15965 1 152 . 2 1 15 15 ARG HG2 H 1 1.764 0.05 . 2 . . . . 15 ARG HG2 . 15965 1 153 . 2 1 15 15 ARG HG3 H 1 1.674 0.05 . 2 . . . . 15 ARG HG3 . 15965 1 154 . 2 1 15 15 ARG CA C 13 59.244 0.5 . 1 . . . . 15 ARG CA . 15965 1 155 . 2 1 15 15 ARG CB C 13 29.793 0.5 . 1 . . . . 15 ARG CB . 15965 1 156 . 2 1 15 15 ARG CD C 13 43.429 0.5 . 1 . . . . 15 ARG CD . 15965 1 157 . 2 1 15 15 ARG CG C 13 27.441 0.5 . 1 . . . . 15 ARG CG . 15965 1 158 . 2 1 15 15 ARG N N 15 120.923 0.5 . 1 . . . . 15 ARG N . 15965 1 159 . 2 1 16 16 SER H H 1 8.374 0.05 . 1 . . . . 16 SER H . 15965 1 160 . 2 1 16 16 SER HA H 1 4.344 0.05 . 1 . . . . 16 SER HA . 15965 1 161 . 2 1 16 16 SER HB2 H 1 4.056 0.05 . 2 . . . . 16 SER HB2 . 15965 1 162 . 2 1 16 16 SER HB3 H 1 4.044 0.05 . 2 . . . . 16 SER HB3 . 15965 1 163 . 2 1 16 16 SER CA C 13 61.861 0.5 . 1 . . . . 16 SER CA . 15965 1 164 . 2 1 16 16 SER CB C 13 62.882 0.5 . 1 . . . . 16 SER CB . 15965 1 165 . 2 1 16 16 SER N N 15 114.52 0.5 . 1 . . . . 16 SER N . 15965 1 166 . 2 1 17 17 LEU H H 1 8.135 0.05 . 1 . . . . 17 LEU H . 15965 1 167 . 2 1 17 17 LEU HA H 1 4.096 0.05 . 1 . . . . 17 LEU HA . 15965 1 168 . 2 1 17 17 LEU HB2 H 1 1.33 0.05 . 2 . . . . 17 LEU HB2 . 15965 1 169 . 2 1 17 17 LEU HB3 H 1 2.142 0.05 . 2 . . . . 17 LEU HB3 . 15965 1 170 . 2 1 17 17 LEU HD11 H 1 0.93 0.05 . 2 . . . . 17 LEU HD1 . 15965 1 171 . 2 1 17 17 LEU HD12 H 1 0.93 0.05 . 2 . . . . 17 LEU HD1 . 15965 1 172 . 2 1 17 17 LEU HD13 H 1 0.93 0.05 . 2 . . . . 17 LEU HD1 . 15965 1 173 . 2 1 17 17 LEU HD21 H 1 0.891 0.05 . 2 . . . . 17 LEU HD2 . 15965 1 174 . 2 1 17 17 LEU HD22 H 1 0.891 0.05 . 2 . . . . 17 LEU HD2 . 15965 1 175 . 2 1 17 17 LEU HD23 H 1 0.891 0.05 . 2 . . . . 17 LEU HD2 . 15965 1 176 . 2 1 17 17 LEU HG H 1 1.891 0.05 . 1 . . . . 17 LEU HG . 15965 1 177 . 2 1 17 17 LEU CA C 13 58.197 0.5 . 1 . . . . 17 LEU CA . 15965 1 178 . 2 1 17 17 LEU CB C 13 43.647 0.5 . 1 . . . . 17 LEU CB . 15965 1 179 . 2 1 17 17 LEU CD1 C 13 27.092 0.5 . 2 . . . . 17 LEU CD1 . 15965 1 180 . 2 1 17 17 LEU CD2 C 13 23.750 0.5 . 2 . . . . 17 LEU CD2 . 15965 1 181 . 2 1 17 17 LEU CG C 13 27.492 0.5 . 1 . . . . 17 LEU CG . 15965 1 182 . 2 1 17 17 LEU N N 15 122.938 0.5 . 1 . . . . 17 LEU N . 15965 1 183 . 2 1 18 18 GLN H H 1 8.649 0.05 . 1 . . . . 18 GLN H . 15965 1 184 . 2 1 18 18 GLN HA H 1 3.965 0.05 . 1 . . . . 18 GLN HA . 15965 1 185 . 2 1 18 18 GLN HB2 H 1 2.008 0.05 . 2 . . . . 18 GLN HB2 . 15965 1 186 . 2 1 18 18 GLN HB3 H 1 2.407 0.05 . 2 . . . . 18 GLN HB3 . 15965 1 187 . 2 1 18 18 GLN HE21 H 1 6.877 0.05 . 2 . . . . 18 GLN HE21 . 15965 1 188 . 2 1 18 18 GLN HE22 H 1 7.142 0.05 . 2 . . . . 18 GLN HE22 . 15965 1 189 . 2 1 18 18 GLN HG2 H 1 2.335 0.05 . 2 . . . . 18 GLN HG2 . 15965 1 190 . 2 1 18 18 GLN HG3 H 1 2.612 0.05 . 2 . . . . 18 GLN HG3 . 15965 1 191 . 2 1 18 18 GLN CA C 13 59.45 0.5 . 1 . . . . 18 GLN CA . 15965 1 192 . 2 1 18 18 GLN CB C 13 28.71 0.5 . 1 . . . . 18 GLN CB . 15965 1 193 . 2 1 18 18 GLN CG C 13 35.129 0.5 . 1 . . . . 18 GLN CG . 15965 1 194 . 2 1 18 18 GLN N N 15 119.456 0.5 . 1 . . . . 18 GLN N . 15965 1 195 . 2 1 18 18 GLN NE2 N 15 110.982 0.5 . 1 . . . . 18 GLN NE2 . 15965 1 196 . 2 1 19 19 GLU H H 1 8.5 0.05 . 1 . . . . 19 GLU H . 15965 1 197 . 2 1 19 19 GLU HA H 1 4.12 0.05 . 1 . . . . 19 GLU HA . 15965 1 198 . 2 1 19 19 GLU HB2 H 1 2.173 0.05 . 2 . . . . 19 GLU HB2 . 15965 1 199 . 2 1 19 19 GLU HB3 H 1 2.231 0.05 . 2 . . . . 19 GLU HB3 . 15965 1 200 . 2 1 19 19 GLU HG2 H 1 2.514 0.05 . 2 . . . . 19 GLU HG2 . 15965 1 201 . 2 1 19 19 GLU HG3 H 1 2.31 0.05 . 2 . . . . 19 GLU HG3 . 15965 1 202 . 2 1 19 19 GLU CA C 13 59.647 0.5 . 1 . . . . 19 GLU CA . 15965 1 203 . 2 1 19 19 GLU CB C 13 29.625 0.5 . 1 . . . . 19 GLU CB . 15965 1 204 . 2 1 19 19 GLU CG C 13 36.67 0.5 . 1 . . . . 19 GLU CG . 15965 1 205 . 2 1 19 19 GLU N N 15 120.612 0.5 . 1 . . . . 19 GLU N . 15965 1 206 . 2 1 20 20 GLN H H 1 8.424 0.05 . 1 . . . . 20 GLN H . 15965 1 207 . 2 1 20 20 GLN HA H 1 4.285 0.05 . 1 . . . . 20 GLN HA . 15965 1 208 . 2 1 20 20 GLN HB2 H 1 2.095 0.05 . 2 . . . . 20 GLN HB2 . 15965 1 209 . 2 1 20 20 GLN HB3 H 1 2.217 0.05 . 2 . . . . 20 GLN HB3 . 15965 1 210 . 2 1 20 20 GLN HE21 H 1 6.864 0.05 . 2 . . . . 20 GLN HE21 . 15965 1 211 . 2 1 20 20 GLN HE22 H 1 7.394 0.05 . 2 . . . . 20 GLN HE22 . 15965 1 212 . 2 1 20 20 GLN HG2 H 1 2.458 0.05 . 2 . . . . 20 GLN HG2 . 15965 1 213 . 2 1 20 20 GLN HG3 H 1 2.605 0.05 . 2 . . . . 20 GLN HG3 . 15965 1 214 . 2 1 20 20 GLN CA C 13 58.982 0.5 . 1 . . . . 20 GLN CA . 15965 1 215 . 2 1 20 20 GLN CB C 13 28.787 0.5 . 1 . . . . 20 GLN CB . 15965 1 216 . 2 1 20 20 GLN CG C 13 33.921 0.5 . 1 . . . . 20 GLN CG . 15965 1 217 . 2 1 20 20 GLN N N 15 120.205 0.5 . 1 . . . . 20 GLN N . 15965 1 218 . 2 1 20 20 GLN NE2 N 15 111.019 0.5 . 1 . . . . 20 GLN NE2 . 15965 1 219 . 2 1 21 21 ASN H H 1 8.563 0.05 . 1 . . . . 21 ASN H . 15965 1 220 . 2 1 21 21 ASN HA H 1 4.383 0.05 . 1 . . . . 21 ASN HA . 15965 1 221 . 2 1 21 21 ASN HB2 H 1 3.205 0.05 . 1 . . . . 21 ASN HB2 . 15965 1 222 . 2 1 21 21 ASN HB3 H 1 2.751 0.05 . 1 . . . . 21 ASN HB3 . 15965 1 223 . 2 1 21 21 ASN HD21 H 1 6.807 0.05 . 1 . . . . 21 ASN HD21 . 15965 1 224 . 2 1 21 21 ASN HD22 H 1 7.552 0.05 . 1 . . . . 21 ASN HD22 . 15965 1 225 . 2 1 21 21 ASN CA C 13 57.475 0.5 . 1 . . . . 21 ASN CA . 15965 1 226 . 2 1 21 21 ASN CB C 13 38.667 0.5 . 1 . . . . 21 ASN CB . 15965 1 227 . 2 1 21 21 ASN N N 15 120.117 0.5 . 1 . . . . 21 ASN N . 15965 1 228 . 2 1 21 21 ASN ND2 N 15 106.392 0.5 . 1 . . . . 21 ASN ND2 . 15965 1 229 . 2 1 22 22 TYR H H 1 8.115 0.05 . 1 . . . . 22 TYR H . 15965 1 230 . 2 1 22 22 TYR HA H 1 4.394 0.05 . 1 . . . . 22 TYR HA . 15965 1 231 . 2 1 22 22 TYR HB2 H 1 3.2 0.05 . 2 . . . . 22 TYR HB2 . 15965 1 232 . 2 1 22 22 TYR HB3 H 1 3.229 0.05 . 2 . . . . 22 TYR HB3 . 15965 1 233 . 2 1 22 22 TYR HD1 H 1 7.04 0.05 . 3 . . . . 22 TYR HD1 . 15965 1 234 . 2 1 22 22 TYR HD2 H 1 7.04 0.05 . 3 . . . . 22 TYR HD2 . 15965 1 235 . 2 1 22 22 TYR HE1 H 1 6.795 0.05 . 3 . . . . 22 TYR HE1 . 15965 1 236 . 2 1 22 22 TYR HE2 H 1 6.795 0.05 . 3 . . . . 22 TYR HE2 . 15965 1 237 . 2 1 22 22 TYR CA C 13 60.646 0.5 . 1 . . . . 22 TYR CA . 15965 1 238 . 2 1 22 22 TYR CB C 13 37.993 0.5 . 1 . . . . 22 TYR CB . 15965 1 239 . 2 1 22 22 TYR N N 15 120.082 0.5 . 1 . . . . 22 TYR N . 15965 1 240 . 2 1 23 23 HIS H H 1 8.025 0.05 . 1 . . . . 23 HIS H . 15965 1 241 . 2 1 23 23 HIS HA H 1 4.402 0.05 . 1 . . . . 23 HIS HA . 15965 1 242 . 2 1 23 23 HIS HB2 H 1 3.356 0.05 . 2 . . . . 23 HIS HB2 . 15965 1 243 . 2 1 23 23 HIS HB3 H 1 3.356 0.05 . 2 . . . . 23 HIS HB3 . 15965 1 244 . 2 1 23 23 HIS HD2 H 1 7.168 0.05 . 1 . . . . 23 HIS HD2 . 15965 1 245 . 2 1 23 23 HIS CA C 13 59.328 0.5 . 1 . . . . 23 HIS CA . 15965 1 246 . 2 1 23 23 HIS CB C 13 29.518 0.5 . 1 . . . . 23 HIS CB . 15965 1 247 . 2 1 23 23 HIS N N 15 118.108 0.5 . 1 . . . . 23 HIS N . 15965 1 248 . 2 1 24 24 LEU H H 1 8.751 0.05 . 1 . . . . 24 LEU H . 15965 1 249 . 2 1 24 24 LEU HA H 1 3.928 0.05 . 1 . . . . 24 LEU HA . 15965 1 250 . 2 1 24 24 LEU HB2 H 1 2.119 0.05 . 2 . . . . 24 LEU HB2 . 15965 1 251 . 2 1 24 24 LEU HB3 H 1 1.318 0.05 . 2 . . . . 24 LEU HB3 . 15965 1 252 . 2 1 24 24 LEU HD11 H 1 1.014 0.05 . 2 . . . . 24 LEU HD1 . 15965 1 253 . 2 1 24 24 LEU HD12 H 1 1.014 0.05 . 2 . . . . 24 LEU HD1 . 15965 1 254 . 2 1 24 24 LEU HD13 H 1 1.014 0.05 . 2 . . . . 24 LEU HD1 . 15965 1 255 . 2 1 24 24 LEU HD21 H 1 0.88 0.05 . 2 . . . . 24 LEU HD2 . 15965 1 256 . 2 1 24 24 LEU HD22 H 1 0.88 0.05 . 2 . . . . 24 LEU HD2 . 15965 1 257 . 2 1 24 24 LEU HD23 H 1 0.88 0.05 . 2 . . . . 24 LEU HD2 . 15965 1 258 . 2 1 24 24 LEU HG H 1 1.963 0.05 . 1 . . . . 24 LEU HG . 15965 1 259 . 2 1 24 24 LEU CA C 13 58.226 0.5 . 1 . . . . 24 LEU CA . 15965 1 260 . 2 1 24 24 LEU CB C 13 43.778 0.5 . 1 . . . . 24 LEU CB . 15965 1 261 . 2 1 24 24 LEU CD1 C 13 26.836 0.5 . 2 . . . . 24 LEU CD1 . 15965 1 262 . 2 1 24 24 LEU CD2 C 13 23.343 0.5 . 2 . . . . 24 LEU CD2 . 15965 1 263 . 2 1 24 24 LEU CG C 13 27.349 0.5 . 1 . . . . 24 LEU CG . 15965 1 264 . 2 1 24 24 LEU N N 15 120.548 0.5 . 1 . . . . 24 LEU N . 15965 1 265 . 2 1 25 25 GLU H H 1 8.83 0.05 . 1 . . . . 25 GLU H . 15965 1 266 . 2 1 25 25 GLU HA H 1 3.926 0.05 . 1 . . . . 25 GLU HA . 15965 1 267 . 2 1 25 25 GLU HB2 H 1 1.989 0.05 . 2 . . . . 25 GLU HB2 . 15965 1 268 . 2 1 25 25 GLU HB3 H 1 2.179 0.05 . 2 . . . . 25 GLU HB3 . 15965 1 269 . 2 1 25 25 GLU HG2 H 1 2.471 0.05 . 2 . . . . 25 GLU HG2 . 15965 1 270 . 2 1 25 25 GLU HG3 H 1 2.259 0.05 . 2 . . . . 25 GLU HG3 . 15965 1 271 . 2 1 25 25 GLU CA C 13 60.114 0.5 . 1 . . . . 25 GLU CA . 15965 1 272 . 2 1 25 25 GLU CB C 13 29.339 0.5 . 1 . . . . 25 GLU CB . 15965 1 273 . 2 1 25 25 GLU CG C 13 36.82 0.5 . 1 . . . . 25 GLU CG . 15965 1 274 . 2 1 25 25 GLU N N 15 119.875 0.5 . 1 . . . . 25 GLU N . 15965 1 275 . 2 1 26 26 ASN H H 1 7.774 0.05 . 1 . . . . 26 ASN H . 15965 1 276 . 2 1 26 26 ASN HA H 1 4.435 0.05 . 1 . . . . 26 ASN HA . 15965 1 277 . 2 1 26 26 ASN HB2 H 1 2.746 0.05 . 2 . . . . 26 ASN HB2 . 15965 1 278 . 2 1 26 26 ASN HB3 H 1 2.906 0.05 . 2 . . . . 26 ASN HB3 . 15965 1 279 . 2 1 26 26 ASN HD21 H 1 5.863 0.05 . 2 . . . . 26 ASN HD21 . 15965 1 280 . 2 1 26 26 ASN HD22 H 1 7.429 0.05 . 2 . . . . 26 ASN HD22 . 15965 1 281 . 2 1 26 26 ASN CA C 13 56.238 0.5 . 1 . . . . 26 ASN CA . 15965 1 282 . 2 1 26 26 ASN CB C 13 37.945 0.5 . 1 . . . . 26 ASN CB . 15965 1 283 . 2 1 26 26 ASN N N 15 119.022 0.5 . 1 . . . . 26 ASN N . 15965 1 284 . 2 1 26 26 ASN ND2 N 15 111.714 0.5 . 1 . . . . 26 ASN ND2 . 15965 1 285 . 2 1 27 27 GLU H H 1 8.179 0.05 . 1 . . . . 27 GLU H . 15965 1 286 . 2 1 27 27 GLU HA H 1 4.436 0.05 . 1 . . . . 27 GLU HA . 15965 1 287 . 2 1 27 27 GLU HB2 H 1 1.965 0.05 . 2 . . . . 27 GLU HB2 . 15965 1 288 . 2 1 27 27 GLU HB3 H 1 2.155 0.05 . 2 . . . . 27 GLU HB3 . 15965 1 289 . 2 1 27 27 GLU HG2 H 1 2.332 0.05 . 2 . . . . 27 GLU HG2 . 15965 1 290 . 2 1 27 27 GLU HG3 H 1 2.081 0.05 . 2 . . . . 27 GLU HG3 . 15965 1 291 . 2 1 27 27 GLU CA C 13 58.674 0.5 . 1 . . . . 27 GLU CA . 15965 1 292 . 2 1 27 27 GLU CB C 13 30.279 0.5 . 1 . . . . 27 GLU CB . 15965 1 293 . 2 1 27 27 GLU CG C 13 35.939 0.5 . 1 . . . . 27 GLU CG . 15965 1 294 . 2 1 27 27 GLU N N 15 124.075 0.5 . 1 . . . . 27 GLU N . 15965 1 295 . 2 1 28 28 VAL H H 1 8.731 0.05 . 1 . . . . 28 VAL H . 15965 1 296 . 2 1 28 28 VAL HA H 1 3.385 0.05 . 1 . . . . 28 VAL HA . 15965 1 297 . 2 1 28 28 VAL HB H 1 2.125 0.05 . 1 . . . . 28 VAL HB . 15965 1 298 . 2 1 28 28 VAL HG11 H 1 0.881 0.05 . 2 . . . . 28 VAL HG1 . 15965 1 299 . 2 1 28 28 VAL HG12 H 1 0.881 0.05 . 2 . . . . 28 VAL HG1 . 15965 1 300 . 2 1 28 28 VAL HG13 H 1 0.881 0.05 . 2 . . . . 28 VAL HG1 . 15965 1 301 . 2 1 28 28 VAL HG21 H 1 1.027 0.05 . 2 . . . . 28 VAL HG2 . 15965 1 302 . 2 1 28 28 VAL HG22 H 1 1.027 0.05 . 2 . . . . 28 VAL HG2 . 15965 1 303 . 2 1 28 28 VAL HG23 H 1 1.027 0.05 . 2 . . . . 28 VAL HG2 . 15965 1 304 . 2 1 28 28 VAL CA C 13 67.756 0.5 . 1 . . . . 28 VAL CA . 15965 1 305 . 2 1 28 28 VAL CB C 13 31.732 0.5 . 1 . . . . 28 VAL CB . 15965 1 306 . 2 1 28 28 VAL CG1 C 13 21.776 0.5 . 2 . . . . 28 VAL CG1 . 15965 1 307 . 2 1 28 28 VAL CG2 C 13 25.705 0.5 . 2 . . . . 28 VAL CG2 . 15965 1 308 . 2 1 28 28 VAL N N 15 120.425 0.5 . 1 . . . . 28 VAL N . 15965 1 309 . 2 1 29 29 ALA H H 1 7.767 0.05 . 1 . . . . 29 ALA H . 15965 1 310 . 2 1 29 29 ALA HA H 1 4.01 0.05 . 1 . . . . 29 ALA HA . 15965 1 311 . 2 1 29 29 ALA HB1 H 1 1.497 0.05 . 1 . . . . 29 ALA HB . 15965 1 312 . 2 1 29 29 ALA HB2 H 1 1.497 0.05 . 1 . . . . 29 ALA HB . 15965 1 313 . 2 1 29 29 ALA HB3 H 1 1.497 0.05 . 1 . . . . 29 ALA HB . 15965 1 314 . 2 1 29 29 ALA CA C 13 55.524 0.5 . 1 . . . . 29 ALA CA . 15965 1 315 . 2 1 29 29 ALA CB C 13 18.122 0.5 . 1 . . . . 29 ALA CB . 15965 1 316 . 2 1 29 29 ALA N N 15 120.034 0.5 . 1 . . . . 29 ALA N . 15965 1 317 . 2 1 30 30 ARG H H 1 7.994 0.05 . 1 . . . . 30 ARG H . 15965 1 318 . 2 1 30 30 ARG HA H 1 3.965 0.05 . 1 . . . . 30 ARG HA . 15965 1 319 . 2 1 30 30 ARG HB2 H 1 1.879 0.05 . 2 . . . . 30 ARG HB2 . 15965 1 320 . 2 1 30 30 ARG HB3 H 1 2.147 0.05 . 2 . . . . 30 ARG HB3 . 15965 1 321 . 2 1 30 30 ARG HD2 H 1 3.442 0.05 . 2 . . . . 30 ARG HD2 . 15965 1 322 . 2 1 30 30 ARG HD3 H 1 2.987 0.05 . 2 . . . . 30 ARG HD3 . 15965 1 323 . 2 1 30 30 ARG HG2 H 1 1.636 0.05 . 2 . . . . 30 ARG HG2 . 15965 1 324 . 2 1 30 30 ARG HG3 H 1 1.322 0.05 . 2 . . . . 30 ARG HG3 . 15965 1 325 . 2 1 30 30 ARG CA C 13 59.663 0.5 . 1 . . . . 30 ARG CA . 15965 1 326 . 2 1 30 30 ARG CB C 13 30.86 0.5 . 1 . . . . 30 ARG CB . 15965 1 327 . 2 1 30 30 ARG CD C 13 42.916 0.5 . 1 . . . . 30 ARG CD . 15965 1 328 . 2 1 30 30 ARG CG C 13 27.467 0.5 . 1 . . . . 30 ARG CG . 15965 1 329 . 2 1 30 30 ARG N N 15 119.884 0.5 . 1 . . . . 30 ARG N . 15965 1 330 . 2 1 31 31 LEU H H 1 8.516 0.05 . 1 . . . . 31 LEU H . 15965 1 331 . 2 1 31 31 LEU HA H 1 3.964 0.05 . 1 . . . . 31 LEU HA . 15965 1 332 . 2 1 31 31 LEU HB2 H 1 1.329 0.05 . 2 . . . . 31 LEU HB2 . 15965 1 333 . 2 1 31 31 LEU HB3 H 1 1.965 0.05 . 2 . . . . 31 LEU HB3 . 15965 1 334 . 2 1 31 31 LEU HD11 H 1 0.828 0.05 . 2 . . . . 31 LEU HD1 . 15965 1 335 . 2 1 31 31 LEU HD12 H 1 0.828 0.05 . 2 . . . . 31 LEU HD1 . 15965 1 336 . 2 1 31 31 LEU HD13 H 1 0.828 0.05 . 2 . . . . 31 LEU HD1 . 15965 1 337 . 2 1 31 31 LEU HD21 H 1 0.916 0.05 . 2 . . . . 31 LEU HD2 . 15965 1 338 . 2 1 31 31 LEU HD22 H 1 0.916 0.05 . 2 . . . . 31 LEU HD2 . 15965 1 339 . 2 1 31 31 LEU HD23 H 1 0.916 0.05 . 2 . . . . 31 LEU HD2 . 15965 1 340 . 2 1 31 31 LEU HG H 1 1.678 0.05 . 1 . . . . 31 LEU HG . 15965 1 341 . 2 1 31 31 LEU CA C 13 58.141 0.5 . 1 . . . . 31 LEU CA . 15965 1 342 . 2 1 31 31 LEU CB C 13 44.129 0.5 . 1 . . . . 31 LEU CB . 15965 1 343 . 2 1 31 31 LEU CD1 C 13 23.777 0.5 . 2 . . . . 31 LEU CD1 . 15965 1 344 . 2 1 31 31 LEU CD2 C 13 28.076 0.5 . 2 . . . . 31 LEU CD2 . 15965 1 345 . 2 1 31 31 LEU CG C 13 28.083 0.5 . 1 . . . . 31 LEU CG . 15965 1 346 . 2 1 31 31 LEU N N 15 120.609 0.5 . 1 . . . . 31 LEU N . 15965 1 347 . 2 1 32 32 LYS H H 1 9.048 0.05 . 1 . . . . 32 LYS H . 15965 1 348 . 2 1 32 32 LYS HA H 1 3.822 0.05 . 1 . . . . 32 LYS HA . 15965 1 349 . 2 1 32 32 LYS HB2 H 1 1.836 0.05 . 2 . . . . 32 LYS HB2 . 15965 1 350 . 2 1 32 32 LYS HB3 H 1 1.861 0.05 . 2 . . . . 32 LYS HB3 . 15965 1 351 . 2 1 32 32 LYS HD2 H 1 1.628 0.05 . 2 . . . . 32 LYS HD2 . 15965 1 352 . 2 1 32 32 LYS HD3 H 1 1.47 0.05 . 2 . . . . 32 LYS HD3 . 15965 1 353 . 2 1 32 32 LYS HE2 H 1 2.822 0.05 . 2 . . . . 32 LYS HE2 . 15965 1 354 . 2 1 32 32 LYS HE3 H 1 3.08 0.05 . 2 . . . . 32 LYS HE3 . 15965 1 355 . 2 1 32 32 LYS HG2 H 1 1.788 0.05 . 2 . . . . 32 LYS HG2 . 15965 1 356 . 2 1 32 32 LYS HG3 H 1 1.316 0.05 . 2 . . . . 32 LYS HG3 . 15965 1 357 . 2 1 32 32 LYS CA C 13 60.976 0.5 . 1 . . . . 32 LYS CA . 15965 1 358 . 2 1 32 32 LYS CB C 13 32.591 0.5 . 1 . . . . 32 LYS CB . 15965 1 359 . 2 1 32 32 LYS CD C 13 29.919 0.5 . 1 . . . . 32 LYS CD . 15965 1 360 . 2 1 32 32 LYS CE C 13 42.066 0.5 . 1 . . . . 32 LYS CE . 15965 1 361 . 2 1 32 32 LYS CG C 13 27.714 0.5 . 1 . . . . 32 LYS CG . 15965 1 362 . 2 1 32 32 LYS N N 15 118.822 0.5 . 1 . . . . 32 LYS N . 15965 1 363 . 2 1 33 33 LYS H H 1 7.381 0.05 . 1 . . . . 33 LYS H . 15965 1 364 . 2 1 33 33 LYS HA H 1 4.141 0.05 . 1 . . . . 33 LYS HA . 15965 1 365 . 2 1 33 33 LYS HB2 H 1 1.902 0.05 . 2 . . . . 33 LYS HB2 . 15965 1 366 . 2 1 33 33 LYS HB3 H 1 1.964 0.05 . 2 . . . . 33 LYS HB3 . 15965 1 367 . 2 1 33 33 LYS HD2 H 1 1.704 0.05 . 2 . . . . 33 LYS HD2 . 15965 1 368 . 2 1 33 33 LYS HD3 H 1 1.715 0.05 . 2 . . . . 33 LYS HD3 . 15965 1 369 . 2 1 33 33 LYS HE2 H 1 2.989 0.05 . 2 . . . . 33 LYS HE2 . 15965 1 370 . 2 1 33 33 LYS HE3 H 1 2.989 0.05 . 2 . . . . 33 LYS HE3 . 15965 1 371 . 2 1 33 33 LYS HG2 H 1 1.596 0.05 . 2 . . . . 33 LYS HG2 . 15965 1 372 . 2 1 33 33 LYS HG3 H 1 1.454 0.05 . 2 . . . . 33 LYS HG3 . 15965 1 373 . 2 1 33 33 LYS CA C 13 58.987 0.5 . 1 . . . . 33 LYS CA . 15965 1 374 . 2 1 33 33 LYS CB C 13 32.372 0.5 . 1 . . . . 33 LYS CB . 15965 1 375 . 2 1 33 33 LYS CD C 13 29.318 0.5 . 1 . . . . 33 LYS CD . 15965 1 376 . 2 1 33 33 LYS CE C 13 42.272 0.5 . 1 . . . . 33 LYS CE . 15965 1 377 . 2 1 33 33 LYS CG C 13 25.365 0.5 . 1 . . . . 33 LYS CG . 15965 1 378 . 2 1 33 33 LYS N N 15 117.698 0.5 . 1 . . . . 33 LYS N . 15965 1 379 . 2 1 34 34 LEU H H 1 7.475 0.05 . 1 . . . . 34 LEU H . 15965 1 380 . 2 1 34 34 LEU HA H 1 4.185 0.05 . 1 . . . . 34 LEU HA . 15965 1 381 . 2 1 34 34 LEU HB2 H 1 1.621 0.05 . 2 . . . . 34 LEU HB2 . 15965 1 382 . 2 1 34 34 LEU HB3 H 1 2.07 0.05 . 2 . . . . 34 LEU HB3 . 15965 1 383 . 2 1 34 34 LEU HD11 H 1 0.953 0.05 . 2 . . . . 34 LEU HD1 . 15965 1 384 . 2 1 34 34 LEU HD12 H 1 0.953 0.05 . 2 . . . . 34 LEU HD1 . 15965 1 385 . 2 1 34 34 LEU HD13 H 1 0.953 0.05 . 2 . . . . 34 LEU HD1 . 15965 1 386 . 2 1 34 34 LEU HD21 H 1 0.903 0.05 . 2 . . . . 34 LEU HD2 . 15965 1 387 . 2 1 34 34 LEU HD22 H 1 0.903 0.05 . 2 . . . . 34 LEU HD2 . 15965 1 388 . 2 1 34 34 LEU HD23 H 1 0.903 0.05 . 2 . . . . 34 LEU HD2 . 15965 1 389 . 2 1 34 34 LEU HG H 1 1.838 0.05 . 1 . . . . 34 LEU HG . 15965 1 390 . 2 1 34 34 LEU CA C 13 57.475 0.5 . 1 . . . . 34 LEU CA . 15965 1 391 . 2 1 34 34 LEU CB C 13 42.687 0.5 . 1 . . . . 34 LEU CB . 15965 1 392 . 2 1 34 34 LEU CD1 C 13 25.614 0.5 . 2 . . . . 34 LEU CD1 . 15965 1 393 . 2 1 34 34 LEU CD2 C 13 23.377 0.5 . 2 . . . . 34 LEU CD2 . 15965 1 394 . 2 1 34 34 LEU CG C 13 26.875 0.5 . 1 . . . . 34 LEU CG . 15965 1 395 . 2 1 34 34 LEU N N 15 118.971 0.5 . 1 . . . . 34 LEU N . 15965 1 396 . 2 1 35 35 VAL H H 1 7.794 0.05 . 1 . . . . 35 VAL H . 15965 1 397 . 2 1 35 35 VAL HA H 1 4.086 0.05 . 1 . . . . 35 VAL HA . 15965 1 398 . 2 1 35 35 VAL HB H 1 2.239 0.05 . 1 . . . . 35 VAL HB . 15965 1 399 . 2 1 35 35 VAL HG11 H 1 0.932 0.05 . 2 . . . . 35 VAL HG1 . 15965 1 400 . 2 1 35 35 VAL HG12 H 1 0.932 0.05 . 2 . . . . 35 VAL HG1 . 15965 1 401 . 2 1 35 35 VAL HG13 H 1 0.932 0.05 . 2 . . . . 35 VAL HG1 . 15965 1 402 . 2 1 35 35 VAL HG21 H 1 0.988 0.05 . 2 . . . . 35 VAL HG2 . 15965 1 403 . 2 1 35 35 VAL HG22 H 1 0.988 0.05 . 2 . . . . 35 VAL HG2 . 15965 1 404 . 2 1 35 35 VAL HG23 H 1 0.988 0.05 . 2 . . . . 35 VAL HG2 . 15965 1 405 . 2 1 35 35 VAL CA C 13 62.99 0.5 . 1 . . . . 35 VAL CA . 15965 1 406 . 2 1 35 35 VAL CB C 13 32.638 0.5 . 1 . . . . 35 VAL CB . 15965 1 407 . 2 1 35 35 VAL CG1 C 13 21.982 0.5 . 2 . . . . 35 VAL CG1 . 15965 1 408 . 2 1 35 35 VAL CG2 C 13 21.982 0.5 . 2 . . . . 35 VAL CG2 . 15965 1 409 . 2 1 35 35 VAL N N 15 113.834 0.5 . 1 . . . . 35 VAL N . 15965 1 410 . 2 1 36 36 GLY H H 1 7.873 0.05 . 1 . . . . 36 GLY H . 15965 1 411 . 2 1 36 36 GLY HA2 H 1 3.88 0.05 . 2 . . . . 36 GLY HA2 . 15965 1 412 . 2 1 36 36 GLY HA3 H 1 4.099 0.05 . 2 . . . . 36 GLY HA3 . 15965 1 413 . 2 1 36 36 GLY CA C 13 45.946 0.5 . 1 . . . . 36 GLY CA . 15965 1 414 . 2 1 36 36 GLY N N 15 109.267 0.5 . 1 . . . . 36 GLY N . 15965 1 415 . 2 1 37 37 GLU H H 1 7.978 0.05 . 1 . . . . 37 GLU H . 15965 1 416 . 2 1 37 37 GLU HA H 1 4.357 0.05 . 1 . . . . 37 GLU HA . 15965 1 417 . 2 1 37 37 GLU HB2 H 1 2.038 0.05 . 2 . . . . 37 GLU HB2 . 15965 1 418 . 2 1 37 37 GLU HB3 H 1 1.738 0.05 . 2 . . . . 37 GLU HB3 . 15965 1 419 . 2 1 37 37 GLU HG2 H 1 2.25 0.05 . 2 . . . . 37 GLU HG2 . 15965 1 420 . 2 1 37 37 GLU HG3 H 1 2.25 0.05 . 2 . . . . 37 GLU HG3 . 15965 1 421 . 2 1 37 37 GLU CA C 13 56.352 0.5 . 1 . . . . 37 GLU CA . 15965 1 422 . 2 1 37 37 GLU CB C 13 31.523 0.5 . 1 . . . . 37 GLU CB . 15965 1 423 . 2 1 37 37 GLU CG C 13 36.766 0.5 . 1 . . . . 37 GLU CG . 15965 1 424 . 2 1 37 37 GLU N N 15 120.938 0.5 . 1 . . . . 37 GLU N . 15965 1 425 . 2 1 38 38 ARG H H 1 7.983 0.05 . 1 . . . . 38 ARG H . 15965 1 426 . 2 1 38 38 ARG HA H 1 4.13 0.05 . 1 . . . . 38 ARG HA . 15965 1 427 . 2 1 38 38 ARG HB2 H 1 1.677 0.05 . 2 . . . . 38 ARG HB2 . 15965 1 428 . 2 1 38 38 ARG HB3 H 1 1.823 0.05 . 2 . . . . 38 ARG HB3 . 15965 1 429 . 2 1 38 38 ARG HD2 H 1 3.196 0.05 . 2 . . . . 38 ARG HD2 . 15965 1 430 . 2 1 38 38 ARG HD3 H 1 3.196 0.05 . 2 . . . . 38 ARG HD3 . 15965 1 431 . 2 1 38 38 ARG HG2 H 1 1.614 0.05 . 2 . . . . 38 ARG HG2 . 15965 1 432 . 2 1 38 38 ARG HG3 H 1 1.614 0.05 . 2 . . . . 38 ARG HG3 . 15965 1 433 . 2 1 38 38 ARG CA C 13 57.541 0.5 . 1 . . . . 38 ARG CA . 15965 1 434 . 2 1 38 38 ARG CB C 13 31.666 0.5 . 1 . . . . 38 ARG CB . 15965 1 435 . 2 1 38 38 ARG CD C 13 43.524 0.5 . 1 . . . . 38 ARG CD . 15965 1 436 . 2 1 38 38 ARG CG C 13 27.455 0.5 . 1 . . . . 38 ARG CG . 15965 1 437 . 2 1 38 38 ARG N N 15 127.3 0.5 . 1 . . . . 38 ARG N . 15965 1 stop_ save_