data_4432 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4432 _Entry.Title ; 1H-NMR Spectral Assignment of Second Transmembrane Segments of Human Glycine Receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-10-05 _Entry.Accession_date 1999-10-05 _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 Pei Tang . . . 4432 2 Igor Zubrzycki . Z. . 4432 3 Jian Hu . . . 4432 4 Yan Xu . . . 4432 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4432 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 262 4432 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-04-23 . update BMRB 'update of relationship loop' 4432 2 . . 2000-05-05 . original author 'original release' 4432 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4433 'glycine receptor alpha 1 subunit TM2 segment S267Y mutant' 4432 BMRB 5607 'Human Neuronal Glycine Receptor alpha-1 Chain TM2' 4432 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4432 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation . _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F Delaglio F. . . 4432 1 2 S Grzesiek S. . . 4432 1 3 'G W' Vuister G. W. . 4432 1 4 G Zhu G. . . 4432 1 5 J Pfeifer J. . . 4432 1 6 A Bax A. . . 4432 1 stop_ save_ save_Ref_1 _Citation.Sf_category citations _Citation.Sf_framecode Ref_1 _Citation.Entry_ID 4432 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Grenningloh, G., V. Schmieden, P. R. Schofield, P. H. Seeburg, T. Siddique, T. K. Mohandas, C. M. Becker, and H. Betz. 1990. "Alpha subunit variants of the human glycine receptor: primary structures, functional expression and chromosomal localization of the corresponding genes." Embo J. 9:771-776." ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F Delaglio F. . . 4432 2 2 S Grzesiek S. . . 4432 2 3 'G W' Vuister G. W. . 4432 2 4 G Zhu G. . . 4432 2 5 J Pfeifer J. . . 4432 2 6 A Bax A. . . 4432 2 stop_ save_ save_Ref_2 _Citation.Sf_category citations _Citation.Sf_framecode Ref_2 _Citation.Entry_ID 4432 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F., S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer, and A. Bax. 1995. "NMRPipe: a multidimensional spectral processing system based on UNIX pipes." J. Biomol. NMR. 6:277-293. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F Delaglio F. . . 4432 3 2 S Grzesiek S. . . 4432 3 3 'G W' Vuister G. W. . 4432 3 4 G Zhu G. . . 4432 3 5 J Pfeifer J. . . 4432 3 6 A Bax A. . . 4432 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GlyR_M2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GlyR_M2 _Assembly.Entry_ID 4432 _Assembly.ID 1 _Assembly.Name 'glycine receptor alpha 1 subunit TM2 segment' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4432 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 'GlyR M2' 1 $GlyR_alpha1_M2_wild_type . . . native . . . . . 4432 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'glycine receptor alpha 1 subunit TM2 segment' system 4432 1 'GlyR M2' abbreviation 4432 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Primary inhibitory receptors in the spinal cord' 4432 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GlyR_alpha1_M2_wild_type _Entity.Sf_category entity _Entity.Sf_framecode GlyR_alpha1_M2_wild_type _Entity.Entry_ID 4432 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Neurotransmitter-gated receptor' _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 ; PARVGLGITTVLTMTTQSSG SRA ; _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1MOT . "Nmr Structure Of Extended Second Transmembrane Domain Of Glycine Receptor Alpha1 Subunit In Sds Micelles" . . . . . 100.00 28 100.00 100.00 6.35e-05 . . . . 4432 1 2 no PDB 3JAD . "Structure Of Alpha-1 Glycine Receptor By Single Particle Electron Cryo-microscopy, Strychnine-bound State" . . . . . 100.00 342 100.00 100.00 2.35e-05 . . . . 4432 1 3 no PDB 3JAE . "Structure Of Alpha-1 Glycine Receptor By Single Particle Electron Cryo-microscopy, Glycine-bound State" . . . . . 100.00 342 100.00 100.00 2.35e-05 . . . . 4432 1 4 no PDB 3JAF . "Structure Of Alpha-1 Glycine Receptor By Single Particle Electron Cryo-microscopy, Glycine/ivermectin-bound State" . . . . . 100.00 342 100.00 100.00 2.35e-05 . . . . 4432 1 5 no PDB 4X5T . "Alpha 1 Glycine Receptor Transmembrane Structure Fused To The Extracellular Domain Of Glic" . . . . . 100.00 330 100.00 100.00 2.25e-05 . . . . 4432 1 6 no DBJ BAA00707 . "glycine receptor alpha 1 precursor [Rattus norvegicus]" . . . . . 100.00 449 100.00 100.00 3.06e-05 . . . . 4432 1 7 no DBJ BAC39521 . "unnamed protein product [Mus musculus]" . . . . . 100.00 343 100.00 100.00 7.76e-05 . . . . 4432 1 8 no DBJ BAG35580 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 449 100.00 100.00 3.06e-05 . . . . 4432 1 9 no EMBL CAA06711 . "glycine receptor, alphaZ1 subunit [Danio rerio]" . . . . . 100.00 444 100.00 100.00 3.03e-05 . . . . 4432 1 10 no EMBL CAA36258 . "inhibitory glycine receptor [Homo sapiens]" . . . . . 100.00 449 100.00 100.00 3.06e-05 . . . . 4432 1 11 no EMBL CAA38987 . "inhibitory glycine receptor alpha-1 subunit [Rattus norvegicus]" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 12 no EMBL CAA53468 . "glycine receptor subunit alpha 4 [Mus musculus]" . . . . . 100.00 337 100.00 100.00 2.31e-05 . . . . 4432 1 13 no EMBL CAA68378 . "glycine receptor strychnine binding subunit [Rattus norvegicus]" . . . . . 100.00 427 100.00 100.00 2.94e-05 . . . . 4432 1 14 no GB AAB32157 . "inhibitory glycine receptor alpha 1 subunit short form [Mus sp.]" . . . . . 100.00 449 100.00 100.00 3.06e-05 . . . . 4432 1 15 no GB AAB32158 . "inhibitory glycine receptor alpha 1 subunit long form [Mus sp.]" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 16 no GB AAG14346 . "glycine receptor alpha 1 subunit [Bos taurus]" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 17 no GB AAG41140 . "glycine receptor alpha 1 subunit isoform b [Bos taurus]" . . . . . 100.00 449 100.00 100.00 3.06e-05 . . . . 4432 1 18 no GB AAG41141 . "glycine receptor alpha 1 subunit isoform a [Bos taurus]" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 19 no PRF 1309300A . "Gly receptor" . . . . . 100.00 427 100.00 100.00 2.94e-05 . . . . 4432 1 20 no REF NP_000162 . "glycine receptor subunit alpha-1 isoform 2 precursor [Homo sapiens]" . . . . . 100.00 449 100.00 100.00 3.06e-05 . . . . 4432 1 21 no REF NP_001019623 . "glycine receptor subunit alpha-4 isoform 1 precursor [Homo sapiens]" . . . . . 100.00 417 100.00 100.00 7.34e-05 . . . . 4432 1 22 no REF NP_001092519 . "glycine receptor subunit alpha-4 precursor [Bos taurus]" . . . . . 100.00 342 100.00 100.00 4.92e-05 . . . . 4432 1 23 no REF NP_001139512 . "glycine receptor subunit alpha-1 isoform 1 precursor [Homo sapiens]" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 24 no REF NP_001165756 . "glycine receptor subunit alpha-4 isoform 2 precursor [Homo sapiens]" . . . . . 100.00 342 100.00 100.00 4.92e-05 . . . . 4432 1 25 no SP O93430 . "RecName: Full=Glycine receptor subunit alphaZ1; Flags: Precursor" . . . . . 100.00 444 100.00 100.00 3.03e-05 . . . . 4432 1 26 no SP P07727 . "RecName: Full=Glycine receptor subunit alpha-1; AltName: Full=Glycine receptor 48 kDa subunit; AltName: Full=Glycine receptor s" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 27 no SP P23415 . "RecName: Full=Glycine receptor subunit alpha-1; AltName: Full=Glycine receptor 48 kDa subunit; AltName: Full=Glycine receptor s" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 28 no SP P57695 . "RecName: Full=Glycine receptor subunit alpha-1; AltName: Full=Glycine receptor 48 kDa subunit; AltName: Full=Glycine receptor s" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 29 no SP Q5JXX5 . "RecName: Full=Glycine receptor subunit alpha-4; Flags: Precursor" . . . . . 100.00 417 100.00 100.00 7.34e-05 . . . . 4432 1 30 no TPG DAA13089 . "TPA: hypothetical protein LOC531678 [Bos taurus]" . . . . . 100.00 342 100.00 100.00 4.92e-05 . . . . 4432 1 31 no TPG DAA27256 . "TPA: glycine receptor subunit alpha-1 precursor [Bos taurus]" . . . . . 100.00 457 100.00 100.00 3.10e-05 . . . . 4432 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Neurotransmitter-gated receptor' common 4432 1 'GlyR M2' abbreviation 4432 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 -2 PRO . 4432 1 2 -1 ALA . 4432 1 3 0 ARG . 4432 1 4 1 VAL . 4432 1 5 2 GLY . 4432 1 6 3 LEU . 4432 1 7 4 GLY . 4432 1 8 5 ILE . 4432 1 9 6 THR . 4432 1 10 7 THR . 4432 1 11 8 VAL . 4432 1 12 9 LEU . 4432 1 13 10 THR . 4432 1 14 11 MET . 4432 1 15 12 THR . 4432 1 16 13 THR . 4432 1 17 14 GLN . 4432 1 18 15 SER . 4432 1 19 16 SER . 4432 1 20 17 GLY . 4432 1 21 18 SER . 4432 1 22 19 ARG . 4432 1 23 20 ALA . 4432 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 . PRO 1 1 4432 1 . ALA 2 2 4432 1 . ARG 3 3 4432 1 . VAL 4 4 4432 1 . GLY 5 5 4432 1 . LEU 6 6 4432 1 . GLY 7 7 4432 1 . ILE 8 8 4432 1 . THR 9 9 4432 1 . THR 10 10 4432 1 . VAL 11 11 4432 1 . LEU 12 12 4432 1 . THR 13 13 4432 1 . MET 14 14 4432 1 . THR 15 15 4432 1 . THR 16 16 4432 1 . GLN 17 17 4432 1 . SER 18 18 4432 1 . SER 19 19 4432 1 . GLY 20 20 4432 1 . SER 21 21 4432 1 . ARG 22 22 4432 1 . ALA 23 23 4432 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 4432 _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 $GlyR_alpha1_M2_wild_type . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4432 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 4432 _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 $GlyR_alpha1_M2_wild_type . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . ; Solid-phase synthesis Reverse-phase HPLC purification. ; . . 4432 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4432 _Sample.ID 1 _Sample.Type micelles _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 'Neurotransmitter-gated receptor' . . . 1 $GlyR_alpha1_M2_wild_type . . 3.1 . . mM . . . . 4432 1 2 SDS . . . . . . . 677 . . mM . . . . 4432 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4432 _Sample.ID 2 _Sample.Type b_micelles _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 'Neurotransmitter-gated receptor' . . . 1 $GlyR_alpha1_M2_wild_type . . 3.1 . . mM . . . . 4432 2 2 DPC . . . . . . . . . . mM . . . . 4432 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4432 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; A special procedure, as described in the associated paper for this submission, was used to incorporate M2 into SDS or DPC. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.8 0.2 na 4432 1 temperature 303 0.5 K 4432 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4432 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data process' 4432 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $Ref_2 4432 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4432 _Software.ID 2 _Software.Name Sparky _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 4432 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4432 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4432 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 4432 _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_one Bruker DMX . 750 . . . 4432 1 2 NMR_spectrometer_two Bruker DMX . 600 . . . 4432 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 4432 _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 1H-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4432 1 2 1H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4432 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4432 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4432 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4432 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4432 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4432 _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 _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 . . 2 $sample_two . 4432 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 PRO HA H 1 4.387 . . 1 . . . . . . . . 4432 1 2 . 1 1 1 1 PRO HB2 H 1 2.446 . . 2 . . . . . . . . 4432 1 3 . 1 1 1 1 PRO HD2 H 1 3.387 . . 2 . . . . . . . . 4432 1 4 . 1 1 1 1 PRO HG2 H 1 2.043 . . 2 . . . . . . . . 4432 1 5 . 1 1 2 2 ALA HA H 1 4.35 . . 1 . . . . . . . . 4432 1 6 . 1 1 2 2 ALA HB1 H 1 1.397 . . 1 . . . . . . . . 4432 1 7 . 1 1 2 2 ALA HB2 H 1 1.397 . . 1 . . . . . . . . 4432 1 8 . 1 1 2 2 ALA HB3 H 1 1.397 . . 1 . . . . . . . . 4432 1 9 . 1 1 2 2 ALA H H 1 8.796 . . 1 . . . . . . . . 4432 1 10 . 1 1 3 3 ARG HA H 1 4.309 . . 1 . . . . . . . . 4432 1 11 . 1 1 3 3 ARG HB2 H 1 1.817 . . 1 . . . . . . . . 4432 1 12 . 1 1 3 3 ARG HD2 H 1 3.178 . . 2 . . . . . . . . 4432 1 13 . 1 1 3 3 ARG HG2 H 1 1.649 . . 1 . . . . . . . . 4432 1 14 . 1 1 3 3 ARG HE H 1 7.451 . . 1 . . . . . . . . 4432 1 15 . 1 1 3 3 ARG H H 1 8.569 . . 1 . . . . . . . . 4432 1 16 . 1 1 4 4 VAL HA H 1 4.037 . . 1 . . . . . . . . 4432 1 17 . 1 1 4 4 VAL HB H 1 2.081 . . 1 . . . . . . . . 4432 1 18 . 1 1 4 4 VAL HG11 H 1 0.953 . . 2 . . . . . . . . 4432 1 19 . 1 1 4 4 VAL HG12 H 1 0.953 . . 2 . . . . . . . . 4432 1 20 . 1 1 4 4 VAL HG13 H 1 0.953 . . 2 . . . . . . . . 4432 1 21 . 1 1 4 4 VAL HG21 H 1 0.937 . . 2 . . . . . . . . 4432 1 22 . 1 1 4 4 VAL HG22 H 1 0.937 . . 2 . . . . . . . . 4432 1 23 . 1 1 4 4 VAL HG23 H 1 0.937 . . 2 . . . . . . . . 4432 1 24 . 1 1 4 4 VAL H H 1 8.152 . . 1 . . . . . . . . 4432 1 25 . 1 1 5 5 GLY HA2 H 1 3.934 . . 2 . . . . . . . . 4432 1 26 . 1 1 5 5 GLY H H 1 8.486 . . 1 . . . . . . . . 4432 1 27 . 1 1 6 6 LEU HA H 1 4.276 . . 1 . . . . . . . . 4432 1 28 . 1 1 6 6 LEU HB2 H 1 1.668 . . 1 . . . . . . . . 4432 1 29 . 1 1 6 6 LEU HD11 H 1 0.892 . . 2 . . . . . . . . 4432 1 30 . 1 1 6 6 LEU HD12 H 1 0.892 . . 2 . . . . . . . . 4432 1 31 . 1 1 6 6 LEU HD13 H 1 0.892 . . 2 . . . . . . . . 4432 1 32 . 1 1 6 6 LEU HD21 H 1 0.937 . . 2 . . . . . . . . 4432 1 33 . 1 1 6 6 LEU HD22 H 1 0.937 . . 2 . . . . . . . . 4432 1 34 . 1 1 6 6 LEU HD23 H 1 0.937 . . 2 . . . . . . . . 4432 1 35 . 1 1 6 6 LEU HG H 1 1.610 . . 1 . . . . . . . . 4432 1 36 . 1 1 6 6 LEU H H 1 8.228 . . 1 . . . . . . . . 4432 1 37 . 1 1 7 7 GLY HA2 H 1 3.965 . . 1 . . . . . . . . 4432 1 38 . 1 1 7 7 GLY HA3 H 1 3.958 . . 1 . . . . . . . . 4432 1 39 . 1 1 7 7 GLY H H 1 8.426 . . 1 . . . . . . . . 4432 1 40 . 1 1 8 8 ILE HA H 1 3.909 . . 1 . . . . . . . . 4432 1 41 . 1 1 8 8 ILE HB H 1 1.953 . . 1 . . . . . . . . 4432 1 42 . 1 1 8 8 ILE HD11 H 1 0.888 . . 1 . . . . . . . . 4432 1 43 . 1 1 8 8 ILE HD12 H 1 0.888 . . 1 . . . . . . . . 4432 1 44 . 1 1 8 8 ILE HD13 H 1 0.888 . . 1 . . . . . . . . 4432 1 45 . 1 1 8 8 ILE HG12 H 1 1.607 . . 1 . . . . . . . . 4432 1 46 . 1 1 8 8 ILE HG13 H 1 1.607 . . 1 . . . . . . . . 4432 1 47 . 1 1 8 8 ILE HG21 H 1 1.235 . . 1 . . . . . . . . 4432 1 48 . 1 1 8 8 ILE HG22 H 1 1.235 . . 1 . . . . . . . . 4432 1 49 . 1 1 8 8 ILE HG23 H 1 1.235 . . 1 . . . . . . . . 4432 1 50 . 1 1 8 8 ILE H H 1 8.409 . . 1 . . . . . . . . 4432 1 51 . 1 1 9 9 THR HA H 1 3.998 . . 1 . . . . . . . . 4432 1 52 . 1 1 9 9 THR HB H 1 4.265 . . 1 . . . . . . . . 4432 1 53 . 1 1 9 9 THR HG21 H 1 1.244 . . 1 . . . . . . . . 4432 1 54 . 1 1 9 9 THR HG22 H 1 1.244 . . 1 . . . . . . . . 4432 1 55 . 1 1 9 9 THR HG23 H 1 1.244 . . 1 . . . . . . . . 4432 1 56 . 1 1 9 9 THR H H 1 8.292 . . 1 . . . . . . . . 4432 1 57 . 1 1 10 10 THR HA H 1 4.066 . . 1 . . . . . . . . 4432 1 58 . 1 1 10 10 THR HB H 1 4.268 . . 1 . . . . . . . . 4432 1 59 . 1 1 10 10 THR HG21 H 1 1.231 . . 1 . . . . . . . . 4432 1 60 . 1 1 10 10 THR HG22 H 1 1.231 . . 1 . . . . . . . . 4432 1 61 . 1 1 10 10 THR HG23 H 1 1.231 . . 1 . . . . . . . . 4432 1 62 . 1 1 10 10 THR H H 1 7.893 . . 1 . . . . . . . . 4432 1 63 . 1 1 11 11 VAL HA H 1 3.868 . . 1 . . . . . . . . 4432 1 64 . 1 1 11 11 VAL HB H 1 2.2 . . 1 . . . . . . . . 4432 1 65 . 1 1 11 11 VAL HG11 H 1 1.025 . . 2 . . . . . . . . 4432 1 66 . 1 1 11 11 VAL HG12 H 1 1.025 . . 2 . . . . . . . . 4432 1 67 . 1 1 11 11 VAL HG13 H 1 1.025 . . 2 . . . . . . . . 4432 1 68 . 1 1 11 11 VAL HG21 H 1 0.942 . . 2 . . . . . . . . 4432 1 69 . 1 1 11 11 VAL HG22 H 1 0.942 . . 2 . . . . . . . . 4432 1 70 . 1 1 11 11 VAL HG23 H 1 0.942 . . 2 . . . . . . . . 4432 1 71 . 1 1 11 11 VAL H H 1 7.741 . . 1 . . . . . . . . 4432 1 72 . 1 1 12 12 LEU HA H 1 4.2 . . 1 . . . . . . . . 4432 1 73 . 1 1 12 12 LEU HB2 H 1 1.803 . . 1 . . . . . . . . 4432 1 74 . 1 1 12 12 LEU HD11 H 1 0.866 . . 2 . . . . . . . . 4432 1 75 . 1 1 12 12 LEU HD12 H 1 0.866 . . 2 . . . . . . . . 4432 1 76 . 1 1 12 12 LEU HD13 H 1 0.866 . . 2 . . . . . . . . 4432 1 77 . 1 1 12 12 LEU HG H 1 1.591 . . 1 . . . . . . . . 4432 1 78 . 1 1 12 12 LEU H H 1 8.045 . . 1 . . . . . . . . 4432 1 79 . 1 1 13 13 THR HA H 1 4.202 . . 1 . . . . . . . . 4432 1 80 . 1 1 13 13 THR HB H 1 4.306 . . 1 . . . . . . . . 4432 1 81 . 1 1 13 13 THR HG21 H 1 1.221 . . 1 . . . . . . . . 4432 1 82 . 1 1 13 13 THR HG22 H 1 1.221 . . 1 . . . . . . . . 4432 1 83 . 1 1 13 13 THR HG23 H 1 1.221 . . 1 . . . . . . . . 4432 1 84 . 1 1 13 13 THR H H 1 7.963 . . 1 . . . . . . . . 4432 1 85 . 1 1 14 14 MET HA H 1 4.401 . . 1 . . . . . . . . 4432 1 86 . 1 1 14 14 MET HB2 H 1 2.149 . . 2 . . . . . . . . 4432 1 87 . 1 1 14 14 MET HG2 H 1 2.684 . . 1 . . . . . . . . 4432 1 88 . 1 1 14 14 MET HG3 H 1 2.597 . . 1 . . . . . . . . 4432 1 89 . 1 1 14 14 MET H H 1 8.023 . . 1 . . . . . . . . 4432 1 90 . 1 1 15 15 THR HA H 1 4.261 . . 1 . . . . . . . . 4432 1 91 . 1 1 15 15 THR HB H 1 4.387 . . 1 . . . . . . . . 4432 1 92 . 1 1 15 15 THR HG21 H 1 1.219 . . 1 . . . . . . . . 4432 1 93 . 1 1 15 15 THR HG22 H 1 1.219 . . 1 . . . . . . . . 4432 1 94 . 1 1 15 15 THR HG23 H 1 1.219 . . 1 . . . . . . . . 4432 1 95 . 1 1 15 15 THR H H 1 7.924 . . 1 . . . . . . . . 4432 1 96 . 1 1 16 16 THR HA H 1 4.268 . . 1 . . . . . . . . 4432 1 97 . 1 1 16 16 THR HB H 1 4.339 . . 1 . . . . . . . . 4432 1 98 . 1 1 16 16 THR HG21 H 1 1.220 . . 1 . . . . . . . . 4432 1 99 . 1 1 16 16 THR HG22 H 1 1.220 . . 1 . . . . . . . . 4432 1 100 . 1 1 16 16 THR HG23 H 1 1.220 . . 1 . . . . . . . . 4432 1 101 . 1 1 16 16 THR H H 1 7.943 . . 1 . . . . . . . . 4432 1 102 . 1 1 17 17 GLN HA H 1 4.356 . . 1 . . . . . . . . 4432 1 103 . 1 1 17 17 GLN HB2 H 1 2.016 . . 1 . . . . . . . . 4432 1 104 . 1 1 17 17 GLN HB3 H 1 2.155 . . 1 . . . . . . . . 4432 1 105 . 1 1 17 17 GLN HG2 H 1 2.378 . . 2 . . . . . . . . 4432 1 106 . 1 1 17 17 GLN H H 1 8.251 . . 1 . . . . . . . . 4432 1 107 . 1 1 18 18 SER HA H 1 4.465 . . 1 . . . . . . . . 4432 1 108 . 1 1 18 18 SER HB2 H 1 3.895 . . 1 . . . . . . . . 4432 1 109 . 1 1 18 18 SER H H 1 8.294 . . 1 . . . . . . . . 4432 1 110 . 1 1 19 19 SER HA H 1 4.437 . . 1 . . . . . . . . 4432 1 111 . 1 1 19 19 SER HB2 H 1 3.853 . . 1 . . . . . . . . 4432 1 112 . 1 1 19 19 SER HB3 H 1 3.884 . . 1 . . . . . . . . 4432 1 113 . 1 1 19 19 SER H H 1 8.350 . . 1 . . . . . . . . 4432 1 114 . 1 1 20 20 GLY HA2 H 1 3.979 . . 2 . . . . . . . . 4432 1 115 . 1 1 20 20 GLY H H 1 8.392 . . 1 . . . . . . . . 4432 1 116 . 1 1 21 21 SER HA H 1 4.433 . . 1 . . . . . . . . 4432 1 117 . 1 1 21 21 SER HB2 H 1 3.844 . . 1 . . . . . . . . 4432 1 118 . 1 1 21 21 SER HB3 H 1 3.970 . . 1 . . . . . . . . 4432 1 119 . 1 1 21 21 SER H H 1 8.135 . . 1 . . . . . . . . 4432 1 120 . 1 1 22 22 ARG HA H 1 4.350 . . 1 . . . . . . . . 4432 1 121 . 1 1 22 22 ARG HB2 H 1 1.878 . . 1 . . . . . . . . 4432 1 122 . 1 1 22 22 ARG HD2 H 1 3.179 . . 1 . . . . . . . . 4432 1 123 . 1 1 22 22 ARG HE H 1 7.277 . . 1 . . . . . . . . 4432 1 124 . 1 1 22 22 ARG HG2 H 1 1.649 . . 1 . . . . . . . . 4432 1 125 . 1 1 22 22 ARG HG3 H 1 1.744 . . 1 . . . . . . . . 4432 1 126 . 1 1 22 22 ARG H H 1 8.349 . . 1 . . . . . . . . 4432 1 127 . 1 1 23 23 ALA HA H 1 4.196 . . 1 . . . . . . . . 4432 1 128 . 1 1 23 23 ALA HB1 H 1 1.347 . . 1 . . . . . . . . 4432 1 129 . 1 1 23 23 ALA HB2 H 1 1.347 . . 1 . . . . . . . . 4432 1 130 . 1 1 23 23 ALA HB3 H 1 1.347 . . 1 . . . . . . . . 4432 1 131 . 1 1 23 23 ALA H H 1 8.098 . . 1 . . . . . . . . 4432 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4432 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4432 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.473 . . 1 . . . . . . . . 4432 2 2 . 1 1 1 1 PRO HB2 H 1 2.516 . . 2 . . . . . . . . 4432 2 3 . 1 1 1 1 PRO HD2 H 1 3.426 . . 2 . . . . . . . . 4432 2 4 . 1 1 1 1 PRO HG2 H 1 2.147 . . 2 . . . . . . . . 4432 2 5 . 1 1 2 2 ALA HA H 1 4.374 . . 1 . . . . . . . . 4432 2 6 . 1 1 2 2 ALA HB1 H 1 1.448 . . 1 . . . . . . . . 4432 2 7 . 1 1 2 2 ALA HB2 H 1 1.448 . . 1 . . . . . . . . 4432 2 8 . 1 1 2 2 ALA HB3 H 1 1.448 . . 1 . . . . . . . . 4432 2 9 . 1 1 2 2 ALA H H 1 8.596 . . 1 . . . . . . . . 4432 2 10 . 1 1 3 3 ARG HA H 1 4.29 . . 1 . . . . . . . . 4432 2 11 . 1 1 3 3 ARG HB2 H 1 1.894 . . 2 . . . . . . . . 4432 2 12 . 1 1 3 3 ARG HD2 H 1 3.193 . . 2 . . . . . . . . 4432 2 13 . 1 1 3 3 ARG HE H 1 7.109 . . 1 . . . . . . . . 4432 2 14 . 1 1 3 3 ARG HG2 H 1 1.716 . . 1 . . . . . . . . 4432 2 15 . 1 1 3 3 ARG HG3 H 1 1.663 . . 1 . . . . . . . . 4432 2 16 . 1 1 3 3 ARG H H 1 8.179 . . 1 . . . . . . . . 4432 2 17 . 1 1 4 4 VAL HA H 1 4.002 . . 1 . . . . . . . . 4432 2 18 . 1 1 4 4 VAL HB H 1 2.159 . . 1 . . . . . . . . 4432 2 19 . 1 1 4 4 VAL HG11 H 1 0.98 . . 2 . . . . . . . . 4432 2 20 . 1 1 4 4 VAL HG12 H 1 0.98 . . 2 . . . . . . . . 4432 2 21 . 1 1 4 4 VAL HG13 H 1 0.98 . . 2 . . . . . . . . 4432 2 22 . 1 1 4 4 VAL HG21 H 1 0.949 . . 2 . . . . . . . . 4432 2 23 . 1 1 4 4 VAL HG22 H 1 0.949 . . 2 . . . . . . . . 4432 2 24 . 1 1 4 4 VAL HG23 H 1 0.949 . . 2 . . . . . . . . 4432 2 25 . 1 1 4 4 VAL H H 1 7.728 . . 1 . . . . . . . . 4432 2 26 . 1 1 5 5 GLY HA2 H 1 3.885 . . 2 . . . . . . . . 4432 2 27 . 1 1 5 5 GLY H H 1 8.159 . . 1 . . . . . . . . 4432 2 28 . 1 1 6 6 LEU HA H 1 4.259 . . 1 . . . . . . . . 4432 2 29 . 1 1 6 6 LEU HB2 H 1 1.723 . . 1 . . . . . . . . 4432 2 30 . 1 1 6 6 LEU HD11 H 1 0.886 . . 2 . . . . . . . . 4432 2 31 . 1 1 6 6 LEU HD12 H 1 0.886 . . 2 . . . . . . . . 4432 2 32 . 1 1 6 6 LEU HD13 H 1 0.886 . . 2 . . . . . . . . 4432 2 33 . 1 1 6 6 LEU HD21 H 1 0.918 . . 2 . . . . . . . . 4432 2 34 . 1 1 6 6 LEU HD22 H 1 0.918 . . 2 . . . . . . . . 4432 2 35 . 1 1 6 6 LEU HD23 H 1 0.918 . . 2 . . . . . . . . 4432 2 36 . 1 1 6 6 LEU HG H 1 1.641 . . 1 . . . . . . . . 4432 2 37 . 1 1 6 6 LEU H H 1 7.898 . . 1 . . . . . . . . 4432 2 38 . 1 1 7 7 GLY HA2 H 1 3.906 . . 2 . . . . . . . . 4432 2 39 . 1 1 7 7 GLY H H 1 8.383 . . 1 . . . . . . . . 4432 2 40 . 1 1 8 8 ILE HA H 1 3.818 . . 1 . . . . . . . . 4432 2 41 . 1 1 8 8 ILE HB H 1 1.961 . . 1 . . . . . . . . 4432 2 42 . 1 1 8 8 ILE HD11 H 1 0.897 . . 1 . . . . . . . . 4432 2 43 . 1 1 8 8 ILE HD12 H 1 0.897 . . 1 . . . . . . . . 4432 2 44 . 1 1 8 8 ILE HD13 H 1 0.897 . . 1 . . . . . . . . 4432 2 45 . 1 1 8 8 ILE HG12 H 1 1.670 . . 1 . . . . . . . . 4432 2 46 . 1 1 8 8 ILE HG13 H 1 1.670 . . 1 . . . . . . . . 4432 2 47 . 1 1 8 8 ILE HG21 H 1 0.936 . . 1 . . . . . . . . 4432 2 48 . 1 1 8 8 ILE HG22 H 1 0.936 . . 1 . . . . . . . . 4432 2 49 . 1 1 8 8 ILE HG23 H 1 0.936 . . 1 . . . . . . . . 4432 2 50 . 1 1 8 8 ILE H H 1 8.203 . . 1 . . . . . . . . 4432 2 51 . 1 1 9 9 THR HA H 1 3.96 . . 1 . . . . . . . . 4432 2 52 . 1 1 9 9 THR HB H 1 4.283 . . 1 . . . . . . . . 4432 2 53 . 1 1 9 9 THR HG21 H 1 1.279 . . 1 . . . . . . . . 4432 2 54 . 1 1 9 9 THR HG22 H 1 1.279 . . 1 . . . . . . . . 4432 2 55 . 1 1 9 9 THR HG23 H 1 1.279 . . 1 . . . . . . . . 4432 2 56 . 1 1 9 9 THR H H 1 8.142 . . 1 . . . . . . . . 4432 2 57 . 1 1 10 10 THR HA H 1 4.021 . . 1 . . . . . . . . 4432 2 58 . 1 1 10 10 THR HB H 1 4.337 . . 1 . . . . . . . . 4432 2 59 . 1 1 10 10 THR HG21 H 1 1.247 . . 1 . . . . . . . . 4432 2 60 . 1 1 10 10 THR HG22 H 1 1.247 . . 1 . . . . . . . . 4432 2 61 . 1 1 10 10 THR HG23 H 1 1.247 . . 1 . . . . . . . . 4432 2 62 . 1 1 10 10 THR H H 1 7.932 . . 1 . . . . . . . . 4432 2 63 . 1 1 11 11 VAL HA H 1 3.807 . . 1 . . . . . . . . 4432 2 64 . 1 1 11 11 VAL HB H 1 2.216 . . 1 . . . . . . . . 4432 2 65 . 1 1 11 11 VAL HG11 H 1 0.954 . . 2 . . . . . . . . 4432 2 66 . 1 1 11 11 VAL HG12 H 1 0.954 . . 2 . . . . . . . . 4432 2 67 . 1 1 11 11 VAL HG13 H 1 0.954 . . 2 . . . . . . . . 4432 2 68 . 1 1 11 11 VAL HG21 H 1 1.056 . . 2 . . . . . . . . 4432 2 69 . 1 1 11 11 VAL HG22 H 1 1.056 . . 2 . . . . . . . . 4432 2 70 . 1 1 11 11 VAL HG23 H 1 1.056 . . 2 . . . . . . . . 4432 2 71 . 1 1 11 11 VAL H H 1 7.868 . . 1 . . . . . . . . 4432 2 72 . 1 1 12 12 LEU HA H 1 4.186 . . 1 . . . . . . . . 4432 2 73 . 1 1 12 12 LEU HB2 H 1 1.822 . . 1 . . . . . . . . 4432 2 74 . 1 1 12 12 LEU HD11 H 1 0.864 . . 2 . . . . . . . . 4432 2 75 . 1 1 12 12 LEU HD12 H 1 0.864 . . 2 . . . . . . . . 4432 2 76 . 1 1 12 12 LEU HD13 H 1 0.864 . . 2 . . . . . . . . 4432 2 77 . 1 1 12 12 LEU HG H 1 1.597 . . 1 . . . . . . . . 4432 2 78 . 1 1 12 12 LEU H H 1 8.207 . . 1 . . . . . . . . 4432 2 79 . 1 1 13 13 THR HA H 1 4.033 . . 1 . . . . . . . . 4432 2 80 . 1 1 13 13 THR HB H 1 4.349 . . 1 . . . . . . . . 4432 2 81 . 1 1 13 13 THR HG21 H 1 1.26 . . 1 . . . . . . . . 4432 2 82 . 1 1 13 13 THR HG22 H 1 1.26 . . 1 . . . . . . . . 4432 2 83 . 1 1 13 13 THR HG23 H 1 1.26 . . 1 . . . . . . . . 4432 2 84 . 1 1 13 13 THR H H 1 8.029 . . 1 . . . . . . . . 4432 2 85 . 1 1 14 14 MET HA H 1 4.35 . . 1 . . . . . . . . 4432 2 86 . 1 1 14 14 MET HB2 H 1 2.204 . . 2 . . . . . . . . 4432 2 87 . 1 1 14 14 MET HG2 H 1 2.662 . . 1 . . . . . . . . 4432 2 88 . 1 1 14 14 MET HG3 H 1 2.662 . . 1 . . . . . . . . 4432 2 89 . 1 1 14 14 MET H H 1 7.967 . . 1 . . . . . . . . 4432 2 90 . 1 1 15 15 THR HA H 1 4.018 . . 1 . . . . . . . . 4432 2 91 . 1 1 15 15 THR HB H 1 4.358 . . 1 . . . . . . . . 4432 2 92 . 1 1 15 15 THR HG21 H 1 1.265 . . 1 . . . . . . . . 4432 2 93 . 1 1 15 15 THR HG22 H 1 1.265 . . 1 . . . . . . . . 4432 2 94 . 1 1 15 15 THR HG23 H 1 1.265 . . 1 . . . . . . . . 4432 2 95 . 1 1 15 15 THR H H 1 7.941 . . 1 . . . . . . . . 4432 2 96 . 1 1 16 16 THR HA H 1 4.012 . . 1 . . . . . . . . 4432 2 97 . 1 1 16 16 THR HB H 1 4.313 . . 1 . . . . . . . . 4432 2 98 . 1 1 16 16 THR HG21 H 1 1.268 . . 1 . . . . . . . . 4432 2 99 . 1 1 16 16 THR HG22 H 1 1.268 . . 1 . . . . . . . . 4432 2 100 . 1 1 16 16 THR HG23 H 1 1.268 . . 1 . . . . . . . . 4432 2 101 . 1 1 16 16 THR H H 1 7.899 . . 1 . . . . . . . . 4432 2 102 . 1 1 17 17 GLN HA H 1 4.36 . . 1 . . . . . . . . 4432 2 103 . 1 1 17 17 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 4432 2 104 . 1 1 17 17 GLN HB3 H 1 2.198 . . 1 . . . . . . . . 4432 2 105 . 1 1 17 17 GLN HG2 H 1 2.42 . . 2 . . . . . . . . 4432 2 106 . 1 1 17 17 GLN H H 1 8.039 . . 1 . . . . . . . . 4432 2 107 . 1 1 18 18 SER HA H 1 4.48 . . 1 . . . . . . . . 4432 2 108 . 1 1 18 18 SER HB2 H 1 3.944 . . 1 . . . . . . . . 4432 2 109 . 1 1 18 18 SER HB3 H 1 3.908 . . 1 . . . . . . . . 4432 2 110 . 1 1 18 18 SER H H 1 8.048 . . 1 . . . . . . . . 4432 2 111 . 1 1 19 19 SER HA H 1 4.44 . . 1 . . . . . . . . 4432 2 112 . 1 1 19 19 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4432 2 113 . 1 1 19 19 SER HB3 H 1 3.905 . . 1 . . . . . . . . 4432 2 114 . 1 1 19 19 SER H H 1 8.245 . . 1 . . . . . . . . 4432 2 115 . 1 1 20 20 GLY HA2 H 1 4.018 . . 2 . . . . . . . . 4432 2 116 . 1 1 20 20 GLY H H 1 8.322 . . 1 . . . . . . . . 4432 2 117 . 1 1 21 21 SER HA H 1 4.466 . . 1 . . . . . . . . 4432 2 118 . 1 1 21 21 SER HB2 H 1 3.872 . . 2 . . . . . . . . 4432 2 119 . 1 1 21 21 SER H H 1 8.075 . . 1 . . . . . . . . 4432 2 120 . 1 1 22 22 ARG HA H 1 4.337 . . 1 . . . . . . . . 4432 2 121 . 1 1 22 22 ARG HB2 H 1 1.89 . . 2 . . . . . . . . 4432 2 122 . 1 1 22 22 ARG HD2 H 1 3.181 . . 2 . . . . . . . . 4432 2 123 . 1 1 22 22 ARG HE H 1 7.115 . . 1 . . . . . . . . 4432 2 124 . 1 1 22 22 ARG HG2 H 1 1.67 . . 1 . . . . . . . . 4432 2 125 . 1 1 22 22 ARG HG3 H 1 1.776 . . 1 . . . . . . . . 4432 2 126 . 1 1 22 22 ARG H H 1 8.155 . . 1 . . . . . . . . 4432 2 127 . 1 1 23 23 ALA HA H 1 4.213 . . 1 . . . . . . . . 4432 2 128 . 1 1 23 23 ALA HB1 H 1 1.353 . . 1 . . . . . . . . 4432 2 129 . 1 1 23 23 ALA HB2 H 1 1.353 . . 1 . . . . . . . . 4432 2 130 . 1 1 23 23 ALA HB3 H 1 1.353 . . 1 . . . . . . . . 4432 2 131 . 1 1 23 23 ALA H H 1 7.925 . . 1 . . . . . . . . 4432 2 stop_ save_