data_6056 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6056 _Entry.Title ; Yeast oligosaccharyltransferase subunit Ost4p ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-12-24 _Entry.Accession_date 2004-01-04 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _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 Sergey Zubkov . . . 6056 2 William Lennarz . J. . 6056 3 Sergey Mohanty . . . 6056 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6056 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 226 6056 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 . . 2004-05-15 2003-12-24 original author . 6056 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6056 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15001703 _Citation.Full_citation . _Citation.Title ; Structural basis for the function of a minimembrane protein subunit of yeast oligosaccharyltransferase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 101 _Citation.Journal_issue 11 _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 3821 _Citation.Page_last 3826 _Citation.Year 2004 _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 Sergey Zubkov . . . 6056 1 2 William Lennarz . J. . 6056 1 3 Smita Mohanty . . . 6056 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'membrane protein' 6056 1 glycosylaiton 6056 1 oligosaccharyltransferase 6056 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 6056 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. J Biomol NMR. 1995 Nov;6(3):277-93 ; _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. . . 6056 2 2 S. Grzesiek S. . . 6056 2 3 'G. W.' Vuister G. W. . 6056 2 4 G. Zhu G. . . 6056 2 5 J. Pfeifer J. . . 6056 2 6 A. Bax A. . . 6056 2 stop_ save_ save_ref-2 _Citation.Sf_category citations _Citation.Sf_framecode ref-2 _Citation.Entry_ID 6056 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; B. A. Johnson, R. A. Blevins J. Biomol. NMR 1994 4, 603-614 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref-3 _Citation.Sf_category citations _Citation.Sf_framecode ref-3 _Citation.Entry_ID 6056 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9367762 _Citation.Full_citation ; Guntert P, Mumenthaler C, Wuthrich K. J Mol Biol. 1997 Oct 17;273(1):283-98. ; _Citation.Title 'Torsion angle dynamics for NMR structure calculation with the new program DYANA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 273 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 283 _Citation.Page_last 298 _Citation.Year 1997 _Citation.Details ; The new program DYANA (DYnamics Algorithm for Nmr Applications) for efficient calculation of three-dimensional protein and nucleic acid structures from distance constraints and torsion angle constraints collected by nuclear magnetic resonance (NMR) experiments performs simulated annealing by molecular dynamics in torsion angle space and uses a fast recursive algorithm to integrate the equations of motions. Torsion angle dynamics can be more efficient than molecular dynamics in Cartesian coordinate space because of the reduced number of degrees of freedom and the concomitant absence of high-frequency bond and angle vibrations, which allows for the use of longer time-steps and/or higher temperatures in the structure calculation. It also represents a significant advance over the variable target function method in torsion angle space with the REDAC strategy used by the predecessor program DIANA. DYANA computation times per accepted conformer in the "bundle" used to represent the NMR structure compare favorably with those of other presently available structure calculation algorithms, and are of the order of 160 seconds for a protein of 165 amino acid residues when using a DEC Alpha 8400 5/300 computer. Test calculations starting from conformers with random torsion angle values further showed that DYANA is capable of efficient calculation of high-quality protein structures with up to 400 amino acid residues, and of nucleic acid structures. ; 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 P. Guntert P. . . 6056 4 2 C. Mumenthaler C. . . 6056 4 3 K. Wuthrich K. . . 6056 4 stop_ save_ save_ref-4 _Citation.Sf_category citations _Citation.Sf_framecode ref-4 _Citation.Entry_ID 6056 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12538267 _Citation.Full_citation ; Linge JP, Habeck M, Rieping W, Nilges M. Bioinformatics. 2003 Jan 22;19(2):315-6. ; _Citation.Title 'ARIA: automated NOE assignment and NMR structure calculation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Bioinformatics _Citation.Journal_name_full 'Bioinformatics (Oxford, England)' _Citation.Journal_volume 19 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1367-4803 _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 315 _Citation.Page_last 316 _Citation.Year 2003 _Citation.Details ; MOTIVATION: In the light of several ongoing structural genomics projects, faster and more reliable methods for structure calculation from NMR data are in great demand. The major bottleneck in the determination of solution NMR structures is the assignment of NOE peaks (nuclear Overhauser effect). Due to the high complexity of the assignment problem, most NOEs cannot be directly converted into unambiguous inter-proton distance restraints. RESULTS: We present version 1.2 of our program ARIA (Ambiguous Restraints for Iterative Assignment) for automated assignment of NOE data and NMR structure calculation. We summarize recent progress in correcting for spin diffusion with a relaxation matrix approach, representing non-bonded interactions in the force field and refining final structures in explicit solvent. We also discuss book-keeping, data exchange with spectra assignment programs and deposition of the analysed experimental data to the databases. AVAILABILITY: ARIA 1.2 is available from: http://www.pasteur.fr/recherche/unites/Binfs/aria/. SUPPLEMENTARY INFORMATION: XML DTDs (for chemical shifts and NOE crosspeaks), Python scripts for the conversion of various NMR data formats and the results of example calculations using data from the S. cerevisiae HRDC domain are available from: http://www.pasteur.fr/recherche/unites/Binfs/aria/ ; 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 'Jens P.' Linge J. P. . 6056 5 2 Michael Habeck M. . . 6056 5 3 Wolfgang Rieping W. . . 6056 5 4 Michael Nilges M. . . 6056 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ost4p _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ost4p _Assembly.Entry_ID 6056 _Assembly.ID 1 _Assembly.Name 'Yeast oligosaccharyltransferase subunit Ost4p' _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 6056 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 ost4p 1 $Ost4p . . . native . . . . . 6056 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1RKL . . . . . . 6056 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Yeast oligosaccharyltransferase subunit Ost4p' system 6056 1 Ost4p abbreviation 6056 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ost4p _Entity.Sf_category entity _Entity.Sf_framecode Ost4p _Entity.Entry_ID 6056 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'yeast oligosaccharyltransferase subunit ost4p' _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 ; MISDEQLNSLAITFGIVMMT LIVIYHAVDSTMSPKN ; _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RKL . "Nmr Structure Of Yeast Oligosaccharyltransferase Subunit Ost4p" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 2 no DBJ GAA22023 . "K7_Ost4p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 3 no EMBL CAA98811 . "OST4 [Saccharomyces cerevisiae]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 4 no EMBL CAY79054 . "Ost4p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 5 no GB AAB06797 . "OST4 [Saccharomyces cerevisiae]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 6 no GB AHY74787 . "Ost4p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 7 no GB EDN60132 . "oligosaccharyltransferase [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 8 no GB EDV08487 . "3.6 kDa protein [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 9 no GB EEU08972 . "Ost4p [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 10 no REF NP_010049 . "Ost4p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 11 no SP Q99380 . "RecName: Full=Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit OST4; Short=Oligosaccharyl transferase sub" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 12 no TPG DAA11634 . "TPA: Ost4p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 36 100.00 100.00 8.63e-16 . . . . 6056 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'yeast oligosaccharyltransferase subunit ost4p' common 6056 1 Ost4p abbreviation 6056 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 . MET . 6056 1 2 . ILE . 6056 1 3 . SER . 6056 1 4 . ASP . 6056 1 5 . GLU . 6056 1 6 . GLN . 6056 1 7 . LEU . 6056 1 8 . ASN . 6056 1 9 . SER . 6056 1 10 . LEU . 6056 1 11 . ALA . 6056 1 12 . ILE . 6056 1 13 . THR . 6056 1 14 . PHE . 6056 1 15 . GLY . 6056 1 16 . ILE . 6056 1 17 . VAL . 6056 1 18 . MET . 6056 1 19 . MET . 6056 1 20 . THR . 6056 1 21 . LEU . 6056 1 22 . ILE . 6056 1 23 . VAL . 6056 1 24 . ILE . 6056 1 25 . TYR . 6056 1 26 . HIS . 6056 1 27 . ALA . 6056 1 28 . VAL . 6056 1 29 . ASP . 6056 1 30 . SER . 6056 1 31 . THR . 6056 1 32 . MET . 6056 1 33 . SER . 6056 1 34 . PRO . 6056 1 35 . LYS . 6056 1 36 . ASN . 6056 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 . MET 1 1 6056 1 . ILE 2 2 6056 1 . SER 3 3 6056 1 . ASP 4 4 6056 1 . GLU 5 5 6056 1 . GLN 6 6 6056 1 . LEU 7 7 6056 1 . ASN 8 8 6056 1 . SER 9 9 6056 1 . LEU 10 10 6056 1 . ALA 11 11 6056 1 . ILE 12 12 6056 1 . THR 13 13 6056 1 . PHE 14 14 6056 1 . GLY 15 15 6056 1 . ILE 16 16 6056 1 . VAL 17 17 6056 1 . MET 18 18 6056 1 . MET 19 19 6056 1 . THR 20 20 6056 1 . LEU 21 21 6056 1 . ILE 22 22 6056 1 . VAL 23 23 6056 1 . ILE 24 24 6056 1 . TYR 25 25 6056 1 . HIS 26 26 6056 1 . ALA 27 27 6056 1 . VAL 28 28 6056 1 . ASP 29 29 6056 1 . SER 30 30 6056 1 . THR 31 31 6056 1 . MET 32 32 6056 1 . SER 33 33 6056 1 . PRO 34 34 6056 1 . LYS 35 35 6056 1 . ASN 36 36 6056 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 6056 _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 $Ost4p . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6056 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 6056 _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 $Ost4p . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6056 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6056 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'yeast oligosaccharyltransferase subunit ost4p' . . . 1 $Ost4p . . 1.0 . . mM . . . . 6056 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6056 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.0 0.2 n/a 6056 1 temperature 298 1 K 6056 1 pressure 1 . atm 6056 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6056 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.0 0.2 n/a 6056 2 temperature 311 1 K 6056 2 pressure 1 . atm 6056 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6056 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6056 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 6056 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6056 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6056 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref-2 6056 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6056 _Software.ID 3 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6056 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ref-3 6056 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 6056 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6056 4 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $ref-4 6056 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6056 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6056 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6056 _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 Bruker DMX . 500 . . . 6056 1 2 spectrometer_2 Bruker DMX . 750 . . . 6056 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 6056 _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 NOESY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6056 1 2 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6056 1 3 '2D DQF-COSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6056 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6056 _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 . . . . . . . . . 6056 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6056 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6056 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 3 3 SER HA H 1 4.905 0.02 . 1 . . . . . . . . 6056 1 2 . 1 1 3 3 SER HB3 H 1 3.946 0.02 . 2 . . . . . . . . 6056 1 3 . 1 1 3 3 SER HB2 H 1 4.065 0.02 . 2 . . . . . . . . 6056 1 4 . 1 1 4 4 ASP H H 1 8.357 0.02 . 1 . . . . . . . . 6056 1 5 . 1 1 4 4 ASP HB3 H 1 3.059 0.02 . 2 . . . . . . . . 6056 1 6 . 1 1 4 4 ASP HB2 H 1 2.918 0.02 . 2 . . . . . . . . 6056 1 7 . 1 1 5 5 GLU HA H 1 4.710 0.02 . 1 . . . . . . . . 6056 1 8 . 1 1 5 5 GLU HB3 H 1 2.361 0.02 . 2 . . . . . . . . 6056 1 9 . 1 1 5 5 GLU HB2 H 1 2.246 0.02 . 2 . . . . . . . . 6056 1 10 . 1 1 5 5 GLU HG3 H 1 2.835 0.02 . 2 . . . . . . . . 6056 1 11 . 1 1 5 5 GLU HG2 H 1 2.751 0.02 . 2 . . . . . . . . 6056 1 12 . 1 1 6 6 GLN HA H 1 4.356 0.02 . 1 . . . . . . . . 6056 1 13 . 1 1 6 6 GLN HB3 H 1 2.309 0.02 . 2 . . . . . . . . 6056 1 14 . 1 1 6 6 GLN HB2 H 1 2.436 0.02 . 2 . . . . . . . . 6056 1 15 . 1 1 6 6 GLN HG3 H 1 2.711 0.02 . 1 . . . . . . . . 6056 1 16 . 1 1 6 6 GLN HG2 H 1 2.711 0.02 . 1 . . . . . . . . 6056 1 17 . 1 1 7 7 LEU H H 1 8.758 0.02 . 1 . . . . . . . . 6056 1 18 . 1 1 7 7 LEU HA H 1 4.265 0.02 . 1 . . . . . . . . 6056 1 19 . 1 1 7 7 LEU HB3 H 1 1.798 0.02 . 2 . . . . . . . . 6056 1 20 . 1 1 7 7 LEU HB2 H 1 1.794 0.02 . 2 . . . . . . . . 6056 1 21 . 1 1 7 7 LEU HG H 1 1.447 0.02 . 1 . . . . . . . . 6056 1 22 . 1 1 7 7 LEU HD11 H 1 1.111 0.02 . 2 . . . . . . . . 6056 1 23 . 1 1 7 7 LEU HD12 H 1 1.111 0.02 . 2 . . . . . . . . 6056 1 24 . 1 1 7 7 LEU HD13 H 1 1.111 0.02 . 2 . . . . . . . . 6056 1 25 . 1 1 7 7 LEU HD21 H 1 1.128 0.02 . 2 . . . . . . . . 6056 1 26 . 1 1 7 7 LEU HD22 H 1 1.128 0.02 . 2 . . . . . . . . 6056 1 27 . 1 1 7 7 LEU HD23 H 1 1.128 0.02 . 2 . . . . . . . . 6056 1 28 . 1 1 8 8 ASN H H 1 8.356 0.02 . 1 . . . . . . . . 6056 1 29 . 1 1 8 8 ASN HA H 1 4.681 0.02 . 1 . . . . . . . . 6056 1 30 . 1 1 8 8 ASN HB3 H 1 3.052 0.02 . 2 . . . . . . . . 6056 1 31 . 1 1 8 8 ASN HB2 H 1 2.907 0.02 . 2 . . . . . . . . 6056 1 32 . 1 1 8 8 ASN HD21 H 1 7.254 0.02 . 2 . . . . . . . . 6056 1 33 . 1 1 8 8 ASN HD22 H 1 6.946 0.02 . 2 . . . . . . . . 6056 1 34 . 1 1 9 9 SER HA H 1 4.372 0.02 . 1 . . . . . . . . 6056 1 35 . 1 1 9 9 SER HB3 H 1 4.153 0.02 . 2 . . . . . . . . 6056 1 36 . 1 1 9 9 SER HB2 H 1 4.229 0.02 . 2 . . . . . . . . 6056 1 37 . 1 1 10 10 LEU H H 1 8.222 0.02 . 1 . . . . . . . . 6056 1 38 . 1 1 10 10 LEU HA H 1 4.266 0.02 . 1 . . . . . . . . 6056 1 39 . 1 1 10 10 LEU HB3 H 1 1.923 0.02 . 2 . . . . . . . . 6056 1 40 . 1 1 10 10 LEU HB2 H 1 2.065 0.02 . 2 . . . . . . . . 6056 1 41 . 1 1 10 10 LEU HD11 H 1 1.111 0.02 . 2 . . . . . . . . 6056 1 42 . 1 1 10 10 LEU HD12 H 1 1.111 0.02 . 2 . . . . . . . . 6056 1 43 . 1 1 10 10 LEU HD13 H 1 1.111 0.02 . 2 . . . . . . . . 6056 1 44 . 1 1 11 11 ALA H H 1 8.219 0.02 . 1 . . . . . . . . 6056 1 45 . 1 1 11 11 ALA HA H 1 4.241 0.02 . 1 . . . . . . . . 6056 1 46 . 1 1 11 11 ALA HB1 H 1 2.565 0.02 . 1 . . . . . . . . 6056 1 47 . 1 1 11 11 ALA HB2 H 1 2.565 0.02 . 1 . . . . . . . . 6056 1 48 . 1 1 11 11 ALA HB3 H 1 2.565 0.02 . 1 . . . . . . . . 6056 1 49 . 1 1 12 12 ILE H H 1 8.352 0.02 . 1 . . . . . . . . 6056 1 50 . 1 1 12 12 ILE HA H 1 4.011 0.02 . 1 . . . . . . . . 6056 1 51 . 1 1 12 12 ILE HB H 1 2.157 0.02 . 1 . . . . . . . . 6056 1 52 . 1 1 12 12 ILE HG13 H 1 1.289 0.02 . 1 . . . . . . . . 6056 1 53 . 1 1 12 12 ILE HG12 H 1 1.331 0.02 . 1 . . . . . . . . 6056 1 54 . 1 1 12 12 ILE HD11 H 1 1.155 0.02 . 1 . . . . . . . . 6056 1 55 . 1 1 12 12 ILE HD12 H 1 1.155 0.02 . 1 . . . . . . . . 6056 1 56 . 1 1 12 12 ILE HD13 H 1 1.155 0.02 . 1 . . . . . . . . 6056 1 57 . 1 1 12 12 ILE HG21 H 1 1.138 0.02 . 1 . . . . . . . . 6056 1 58 . 1 1 12 12 ILE HG22 H 1 1.138 0.02 . 1 . . . . . . . . 6056 1 59 . 1 1 12 12 ILE HG23 H 1 1.138 0.02 . 1 . . . . . . . . 6056 1 60 . 1 1 13 13 THR H H 1 8.097 0.02 . 1 . . . . . . . . 6056 1 61 . 1 1 13 13 THR HA H 1 4.008 0.02 . 1 . . . . . . . . 6056 1 62 . 1 1 13 13 THR HB H 1 4.532 0.02 . 1 . . . . . . . . 6056 1 63 . 1 1 13 13 THR HG21 H 1 1.436 0.02 . 1 . . . . . . . . 6056 1 64 . 1 1 13 13 THR HG22 H 1 1.436 0.02 . 1 . . . . . . . . 6056 1 65 . 1 1 13 13 THR HG23 H 1 1.436 0.02 . 1 . . . . . . . . 6056 1 66 . 1 1 14 14 PHE H H 1 8.814 0.02 . 1 . . . . . . . . 6056 1 67 . 1 1 14 14 PHE HA H 1 4.387 0.02 . 1 . . . . . . . . 6056 1 68 . 1 1 14 14 PHE HB3 H 1 3.451 0.02 . 1 . . . . . . . . 6056 1 69 . 1 1 14 14 PHE HB2 H 1 3.451 0.02 . 1 . . . . . . . . 6056 1 70 . 1 1 14 14 PHE HD1 H 1 7.430 0.02 . 1 . . . . . . . . 6056 1 71 . 1 1 14 14 PHE HE1 H 1 7.474 0.02 . 1 . . . . . . . . 6056 1 72 . 1 1 14 14 PHE HZ H 1 7.606 0.02 . 1 . . . . . . . . 6056 1 73 . 1 1 14 14 PHE HE2 H 1 7.474 0.02 . 1 . . . . . . . . 6056 1 74 . 1 1 14 14 PHE HD2 H 1 7.430 0.02 . 1 . . . . . . . . 6056 1 75 . 1 1 15 15 GLY H H 1 8.554 0.02 . 1 . . . . . . . . 6056 1 76 . 1 1 15 15 GLY HA3 H 1 4.105 0.02 . 1 . . . . . . . . 6056 1 77 . 1 1 15 15 GLY HA2 H 1 4.105 0.02 . 1 . . . . . . . . 6056 1 78 . 1 1 16 16 ILE H H 1 8.566 0.02 . 1 . . . . . . . . 6056 1 79 . 1 1 16 16 ILE HA H 1 3.981 0.02 . 1 . . . . . . . . 6056 1 80 . 1 1 16 16 ILE HB H 1 2.283 0.02 . 1 . . . . . . . . 6056 1 81 . 1 1 16 16 ILE HG13 H 1 2.070 0.02 . 1 . . . . . . . . 6056 1 82 . 1 1 16 16 ILE HG12 H 1 2.075 0.02 . 1 . . . . . . . . 6056 1 83 . 1 1 16 16 ILE HD11 H 1 1.384 0.02 . 1 . . . . . . . . 6056 1 84 . 1 1 16 16 ILE HD12 H 1 1.384 0.02 . 1 . . . . . . . . 6056 1 85 . 1 1 16 16 ILE HD13 H 1 1.384 0.02 . 1 . . . . . . . . 6056 1 86 . 1 1 16 16 ILE HG21 H 1 1.137 0.02 . 1 . . . . . . . . 6056 1 87 . 1 1 16 16 ILE HG22 H 1 1.137 0.02 . 1 . . . . . . . . 6056 1 88 . 1 1 16 16 ILE HG23 H 1 1.137 0.02 . 1 . . . . . . . . 6056 1 89 . 1 1 17 17 VAL H H 1 8.619 0.02 . 1 . . . . . . . . 6056 1 90 . 1 1 17 17 VAL HA H 1 3.723 0.02 . 1 . . . . . . . . 6056 1 91 . 1 1 17 17 VAL HB H 1 2.400 0.02 . 1 . . . . . . . . 6056 1 92 . 1 1 17 17 VAL HG21 H 1 1.131 0.02 . 1 . . . . . . . . 6056 1 93 . 1 1 17 17 VAL HG22 H 1 1.131 0.02 . 1 . . . . . . . . 6056 1 94 . 1 1 17 17 VAL HG23 H 1 1.131 0.02 . 1 . . . . . . . . 6056 1 95 . 1 1 17 17 VAL HG11 H 1 1.290 0.02 . 1 . . . . . . . . 6056 1 96 . 1 1 17 17 VAL HG12 H 1 1.290 0.02 . 1 . . . . . . . . 6056 1 97 . 1 1 17 17 VAL HG13 H 1 1.290 0.02 . 1 . . . . . . . . 6056 1 98 . 1 1 18 18 MET H H 1 8.641 0.02 . 1 . . . . . . . . 6056 1 99 . 1 1 18 18 MET HA H 1 4.361 0.02 . 1 . . . . . . . . 6056 1 100 . 1 1 18 18 MET HB3 H 1 2.217 0.02 . 1 . . . . . . . . 6056 1 101 . 1 1 18 18 MET HB2 H 1 2.217 0.02 . 1 . . . . . . . . 6056 1 102 . 1 1 18 18 MET HG3 H 1 2.491 0.02 . 1 . . . . . . . . 6056 1 103 . 1 1 18 18 MET HG2 H 1 2.491 0.02 . 1 . . . . . . . . 6056 1 104 . 1 1 19 19 MET H H 1 8.655 0.02 . 1 . . . . . . . . 6056 1 105 . 1 1 19 19 MET HA H 1 4.338 0.02 . 1 . . . . . . . . 6056 1 106 . 1 1 19 19 MET HB3 H 1 2.317 0.02 . 2 . . . . . . . . 6056 1 107 . 1 1 19 19 MET HB2 H 1 2.435 0.02 . 2 . . . . . . . . 6056 1 108 . 1 1 19 19 MET HG3 H 1 2.801 0.02 . 1 . . . . . . . . 6056 1 109 . 1 1 19 19 MET HG2 H 1 2.801 0.02 . 1 . . . . . . . . 6056 1 110 . 1 1 20 20 THR H H 1 8.288 0.02 . 1 . . . . . . . . 6056 1 111 . 1 1 20 20 THR HA H 1 3.999 0.02 . 1 . . . . . . . . 6056 1 112 . 1 1 20 20 THR HB H 1 4.657 0.02 . 1 . . . . . . . . 6056 1 113 . 1 1 20 20 THR HG21 H 1 1.457 0.02 . 1 . . . . . . . . 6056 1 114 . 1 1 20 20 THR HG22 H 1 1.457 0.02 . 1 . . . . . . . . 6056 1 115 . 1 1 20 20 THR HG23 H 1 1.457 0.02 . 1 . . . . . . . . 6056 1 116 . 1 1 21 21 LEU H H 1 8.362 0.02 . 1 . . . . . . . . 6056 1 117 . 1 1 21 21 LEU HA H 1 4.185 0.02 . 1 . . . . . . . . 6056 1 118 . 1 1 21 21 LEU HB3 H 1 2.176 0.02 . 2 . . . . . . . . 6056 1 119 . 1 1 21 21 LEU HB2 H 1 2.270 0.02 . 2 . . . . . . . . 6056 1 120 . 1 1 21 21 LEU HG H 1 1.730 0.02 . 1 . . . . . . . . 6056 1 121 . 1 1 21 21 LEU HD11 H 1 1.092 0.02 . 1 . . . . . . . . 6056 1 122 . 1 1 21 21 LEU HD12 H 1 1.092 0.02 . 1 . . . . . . . . 6056 1 123 . 1 1 21 21 LEU HD13 H 1 1.092 0.02 . 1 . . . . . . . . 6056 1 124 . 1 1 21 21 LEU HD21 H 1 1.079 0.02 . 1 . . . . . . . . 6056 1 125 . 1 1 21 21 LEU HD22 H 1 1.079 0.02 . 1 . . . . . . . . 6056 1 126 . 1 1 21 21 LEU HD23 H 1 1.079 0.02 . 1 . . . . . . . . 6056 1 127 . 1 1 22 22 ILE H H 1 8.322 0.02 . 1 . . . . . . . . 6056 1 128 . 1 1 22 22 ILE HA H 1 3.904 0.02 . 1 . . . . . . . . 6056 1 129 . 1 1 22 22 ILE HB H 1 2.326 0.02 . 1 . . . . . . . . 6056 1 130 . 1 1 22 22 ILE HG13 H 1 2.174 0.02 . 1 . . . . . . . . 6056 1 131 . 1 1 22 22 ILE HG12 H 1 2.092 0.02 . 1 . . . . . . . . 6056 1 132 . 1 1 22 22 ILE HD11 H 1 1.334 0.02 . 1 . . . . . . . . 6056 1 133 . 1 1 22 22 ILE HD12 H 1 1.334 0.02 . 1 . . . . . . . . 6056 1 134 . 1 1 22 22 ILE HD13 H 1 1.334 0.02 . 1 . . . . . . . . 6056 1 135 . 1 1 22 22 ILE HG21 H 1 1.127 0.02 . 1 . . . . . . . . 6056 1 136 . 1 1 22 22 ILE HG22 H 1 1.127 0.02 . 1 . . . . . . . . 6056 1 137 . 1 1 22 22 ILE HG23 H 1 1.127 0.02 . 1 . . . . . . . . 6056 1 138 . 1 1 23 23 VAL H H 1 8.406 0.02 . 1 . . . . . . . . 6056 1 139 . 1 1 23 23 VAL HA H 1 3.824 0.02 . 1 . . . . . . . . 6056 1 140 . 1 1 23 23 VAL HB H 1 2.569 0.02 . 1 . . . . . . . . 6056 1 141 . 1 1 23 23 VAL HG21 H 1 1.331 0.02 . 1 . . . . . . . . 6056 1 142 . 1 1 23 23 VAL HG22 H 1 1.331 0.02 . 1 . . . . . . . . 6056 1 143 . 1 1 23 23 VAL HG23 H 1 1.331 0.02 . 1 . . . . . . . . 6056 1 144 . 1 1 23 23 VAL HG11 H 1 1.181 0.02 . 1 . . . . . . . . 6056 1 145 . 1 1 23 23 VAL HG12 H 1 1.181 0.02 . 1 . . . . . . . . 6056 1 146 . 1 1 23 23 VAL HG13 H 1 1.181 0.02 . 1 . . . . . . . . 6056 1 147 . 1 1 24 24 ILE H H 1 8.666 0.02 . 1 . . . . . . . . 6056 1 148 . 1 1 24 24 ILE HA H 1 3.874 0.02 . 1 . . . . . . . . 6056 1 149 . 1 1 24 24 ILE HB H 1 2.173 0.02 . 1 . . . . . . . . 6056 1 150 . 1 1 24 24 ILE HG13 H 1 1.474 0.02 . 1 . . . . . . . . 6056 1 151 . 1 1 24 24 ILE HG12 H 1 1.474 0.02 . 1 . . . . . . . . 6056 1 152 . 1 1 24 24 ILE HD11 H 1 1.068 0.02 . 1 . . . . . . . . 6056 1 153 . 1 1 24 24 ILE HD12 H 1 1.068 0.02 . 1 . . . . . . . . 6056 1 154 . 1 1 24 24 ILE HD13 H 1 1.068 0.02 . 1 . . . . . . . . 6056 1 155 . 1 1 24 24 ILE HG21 H 1 1.326 0.02 . 1 . . . . . . . . 6056 1 156 . 1 1 24 24 ILE HG22 H 1 1.326 0.02 . 1 . . . . . . . . 6056 1 157 . 1 1 24 24 ILE HG23 H 1 1.326 0.02 . 1 . . . . . . . . 6056 1 158 . 1 1 25 25 TYR H H 1 9.100 0.02 . 1 . . . . . . . . 6056 1 159 . 1 1 25 25 TYR HA H 1 4.325 0.02 . 1 . . . . . . . . 6056 1 160 . 1 1 25 25 TYR HB3 H 1 3.282 0.02 . 2 . . . . . . . . 6056 1 161 . 1 1 25 25 TYR HB2 H 1 3.404 0.02 . 2 . . . . . . . . 6056 1 162 . 1 1 25 25 TYR HD1 H 1 7.201 0.02 . 2 . . . . . . . . 6056 1 163 . 1 1 25 25 TYR HE1 H 1 6.898 0.02 . 1 . . . . . . . . 6056 1 164 . 1 1 25 25 TYR HE2 H 1 6.898 0.02 . 1 . . . . . . . . 6056 1 165 . 1 1 25 25 TYR HD2 H 1 7.202 0.02 . 2 . . . . . . . . 6056 1 166 . 1 1 26 26 HIS H H 1 8.752 0.02 . 1 . . . . . . . . 6056 1 167 . 1 1 26 26 HIS HA H 1 4.413 0.02 . 1 . . . . . . . . 6056 1 168 . 1 1 26 26 HIS HB3 H 1 3.625 0.02 . 1 . . . . . . . . 6056 1 169 . 1 1 26 26 HIS HB2 H 1 3.625 0.02 . 1 . . . . . . . . 6056 1 170 . 1 1 26 26 HIS HD2 H 1 7.645 0.02 . 1 . . . . . . . . 6056 1 171 . 1 1 26 26 HIS HE1 H 1 8.882 0.02 . 1 . . . . . . . . 6056 1 172 . 1 1 27 27 ALA H H 1 8.350 0.02 . 1 . . . . . . . . 6056 1 173 . 1 1 27 27 ALA HA H 1 4.314 0.02 . 1 . . . . . . . . 6056 1 174 . 1 1 27 27 ALA HB1 H 1 1.803 0.02 . 1 . . . . . . . . 6056 1 175 . 1 1 27 27 ALA HB2 H 1 1.803 0.02 . 1 . . . . . . . . 6056 1 176 . 1 1 27 27 ALA HB3 H 1 1.803 0.02 . 1 . . . . . . . . 6056 1 177 . 1 1 28 28 VAL H H 1 8.819 0.02 . 1 . . . . . . . . 6056 1 178 . 1 1 28 28 VAL HA H 1 3.812 0.02 . 1 . . . . . . . . 6056 1 179 . 1 1 28 28 VAL HB H 1 2.301 0.02 . 1 . . . . . . . . 6056 1 180 . 1 1 28 28 VAL HG21 H 1 1.252 0.02 . 2 . . . . . . . . 6056 1 181 . 1 1 28 28 VAL HG22 H 1 1.252 0.02 . 2 . . . . . . . . 6056 1 182 . 1 1 28 28 VAL HG23 H 1 1.252 0.02 . 2 . . . . . . . . 6056 1 183 . 1 1 28 28 VAL HG11 H 1 1.086 0.02 . 2 . . . . . . . . 6056 1 184 . 1 1 28 28 VAL HG12 H 1 1.086 0.02 . 2 . . . . . . . . 6056 1 185 . 1 1 28 28 VAL HG13 H 1 1.086 0.02 . 2 . . . . . . . . 6056 1 186 . 1 1 29 29 ASP H H 1 8.684 0.02 . 1 . . . . . . . . 6056 1 187 . 1 1 29 29 ASP HA H 1 4.584 0.02 . 1 . . . . . . . . 6056 1 188 . 1 1 29 29 ASP HB3 H 1 2.888 0.02 . 1 . . . . . . . . 6056 1 189 . 1 1 29 29 ASP HB2 H 1 2.888 0.02 . 1 . . . . . . . . 6056 1 190 . 1 1 30 30 SER H H 1 8.149 0.02 . 1 . . . . . . . . 6056 1 191 . 1 1 30 30 SER HA H 1 4.763 0.02 . 1 . . . . . . . . 6056 1 192 . 1 1 30 30 SER HB3 H 1 4.053 0.02 . 2 . . . . . . . . 6056 1 193 . 1 1 30 30 SER HB2 H 1 4.259 0.02 . 2 . . . . . . . . 6056 1 194 . 1 1 31 31 THR HA H 1 4.451 0.02 . 1 . . . . . . . . 6056 1 195 . 1 1 31 31 THR HB H 1 4.317 0.02 . 1 . . . . . . . . 6056 1 196 . 1 1 31 31 THR HG21 H 1 1.493 0.02 . 1 . . . . . . . . 6056 1 197 . 1 1 31 31 THR HG22 H 1 1.493 0.02 . 1 . . . . . . . . 6056 1 198 . 1 1 31 31 THR HG23 H 1 1.493 0.02 . 1 . . . . . . . . 6056 1 199 . 1 1 32 32 MET H H 1 8.726 0.02 . 1 . . . . . . . . 6056 1 200 . 1 1 32 32 MET HA H 1 4.394 0.02 . 1 . . . . . . . . 6056 1 201 . 1 1 32 32 MET HB3 H 1 2.305 0.02 . 1 . . . . . . . . 6056 1 202 . 1 1 32 32 MET HB2 H 1 2.305 0.02 . 1 . . . . . . . . 6056 1 203 . 1 1 33 33 SER H H 1 7.848 0.02 . 1 . . . . . . . . 6056 1 204 . 1 1 33 33 SER HA H 1 4.867 0.02 . 1 . . . . . . . . 6056 1 205 . 1 1 33 33 SER HB3 H 1 2.938 0.02 . 1 . . . . . . . . 6056 1 206 . 1 1 33 33 SER HB2 H 1 2.938 0.02 . 1 . . . . . . . . 6056 1 207 . 1 1 34 34 PRO HA H 1 4.635 0.02 . 1 . . . . . . . . 6056 1 208 . 1 1 34 34 PRO HB3 H 1 2.247 0.02 . 2 . . . . . . . . 6056 1 209 . 1 1 34 34 PRO HB2 H 1 2.532 0.02 . 2 . . . . . . . . 6056 1 210 . 1 1 34 34 PRO HG3 H 1 2.135 0.02 . 1 . . . . . . . . 6056 1 211 . 1 1 34 34 PRO HG2 H 1 2.135 0.02 . 1 . . . . . . . . 6056 1 212 . 1 1 34 34 PRO HD3 H 1 3.934 0.02 . 2 . . . . . . . . 6056 1 213 . 1 1 34 34 PRO HD2 H 1 4.037 0.02 . 2 . . . . . . . . 6056 1 214 . 1 1 35 35 LYS HA H 1 4.488 0.02 . 1 . . . . . . . . 6056 1 215 . 1 1 35 35 LYS HB3 H 1 2.045 0.02 . 1 . . . . . . . . 6056 1 216 . 1 1 35 35 LYS HB2 H 1 2.045 0.02 . 1 . . . . . . . . 6056 1 217 . 1 1 35 35 LYS HG3 H 1 1.853 0.02 . 1 . . . . . . . . 6056 1 218 . 1 1 35 35 LYS HG2 H 1 1.853 0.02 . 1 . . . . . . . . 6056 1 219 . 1 1 35 35 LYS HD3 H 1 1.919 0.02 . 1 . . . . . . . . 6056 1 220 . 1 1 35 35 LYS HD2 H 1 1.919 0.02 . 1 . . . . . . . . 6056 1 221 . 1 1 35 35 LYS HE3 H 1 3.360 0.02 . 1 . . . . . . . . 6056 1 222 . 1 1 35 35 LYS HE2 H 1 3.360 0.02 . 1 . . . . . . . . 6056 1 223 . 1 1 36 36 ASN H H 1 8.976 0.02 . 1 . . . . . . . . 6056 1 224 . 1 1 36 36 ASN HA H 1 4.760 0.02 . 1 . . . . . . . . 6056 1 225 . 1 1 36 36 ASN HB3 H 1 3.129 0.02 . 2 . . . . . . . . 6056 1 226 . 1 1 36 36 ASN HB2 H 1 3.066 0.02 . 2 . . . . . . . . 6056 1 stop_ save_