data_19958 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19958 _Entry.Title ; Protein Phosphorylation upon a Fleeting Encounter ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-02-06 _Entry.Accession_date 1998-02-09 _Entry.Last_release_date 2014-05-22 _Entry.Original_release_date 2014-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Qiong Xing . S. . . 19958 2 Ju Yang . . . . 19958 3 Peng Huang . . . . 19958 4 Weiping Zhang . . . . 19958 5 Chun Tang . M. . . 19958 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19958 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'EIN EIIAGlc complex' . 19958 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19958 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 279 19958 '1H chemical shifts' 137 19958 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-02-04 2014-05-22 original author . 19958 1 . . 2014-08-25 2014-05-22 original author . 19958 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MP0 'BMRB Entry Tracking System' 19958 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19958 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 97207064 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Protein Phosphorylation upon a Fleeting Encounter ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _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 . 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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qiong Xing . S. . . 19958 1 2 Yang Ju . . . . 19958 1 3 Peng Huang . . . . 19958 1 4 Weiping Zhang . . . . 19958 1 5 Chun Tang . M. . . 19958 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID kinase 19958 1 phosphotransferase 19958 1 'sugar transport' 19958 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 19958 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title ; Protein Phosphorylation upon a Fleeting Encounter ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qiong Xing D. S. . . 19958 2 2 Yang Ju C. G. . . 19958 2 3 Peng Huang J. . . . 19958 2 4 Weiping Zhang F. . . . 19958 2 5 Chun Tang H. J. . . 19958 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EIN _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EIN _Assembly.Entry_ID 19958 _Assembly.ID 1 _Assembly.Name 'N-terminal Domain of Enzyme I' _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 19958 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 'Phosphotransferase system, enzyme I' 1 $N-terminal_Domain_of_Enzyme_I A . yes native no no . . . 19958 1 2 'EIIA-Glc, EIII-Glc, PTS system glucose-specific EIIA component' 2 $EIN_EIIAGlc A . yes native no no . . . 19958 1 3 'Phosphite Ion' 3 $entity_PO3 A . no native no no . . . 19958 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID EIN abbreviation 19958 1 'N-terminal Domain of Enzyme I' name 19958 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phosphorylate HPr in E. coli to facilitate translocation of sugars across cytoplasmic membrane' 19958 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-terminal_Domain_of_Enzyme_I _Entity.Sf_category entity _Entity.Sf_framecode N-terminal_Domain_of_Enzyme_I _Entity.Entry_ID 19958 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-terminal_Domain_of_Enzyme_I _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MISGILASPGIAFGKALLLK EDEIVIDRKKISADQVDQEV ERFLSGRAKASAQLETIKTK AGETFGEEKEAIFEGHIMLL EDEELEQEIIALIKDKHMTA DAAAHEVIEGQASALEELDD EYLKERAADVRDIGKRLLRN ILGLKIIDLSAIQDEVILVA ADLTPSETAQLNLKKVLGFI TDAGGRTSHTSIMARSLELP AIVGTGSVTSQVKNDDYLIL DAVNNQVYVNPTNEVIDKMR AVQEQVASEKAELAKLKDR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 259 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.3.9 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28359 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . no BMRB 17095 . EIN . . . . . . . . . . . . . . 19958 1 . no PDB 1EZA . 'Amino Terminal Domain Of Enzyme I From Escherichia Coli Nmr, Restrained Regularized Mean Structure' . . . . . . . . . . . . . . 19958 1 . no PDB 1EZB . 'Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, 17 Structures' . . . . . . . . . . . . . . 19958 1 . no PDB 1EZC . 'Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, 17 Structures' . . . . . . . . . . . . . . 19958 1 . no PDB 1EZD . 'Amino Terminal Domain Of Enzyme I From Escherichia Coli Nmr, 16 Structures' . . . . . . . . . . . . . . 19958 1 . no PDB 1ZYM . 'Amino Terminal Domain Of Enzyme I From Escherichia Coli' . . . . . . . . . . . . . . 19958 1 . no PDB 2EZA . 'Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, Restrained Regularized Mean Structure' . . . . . . . . . . . . . . 19958 1 . no PDB 2EZB . 'Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, 14 Structures' . . . . . . . . . . . . . . 19958 1 . no PDB 2EZC . 'Amino Terminal Domain Of Enzyme I From Escherichia Coli, Nmr, 14 Structures' . . . . . . . . . . . . . . 19958 1 . no PDB 2HWG . 'Structure Of Phosphorylated Enzyme I Of The Phosphoenolpyruvate:sugar Phosphotransferase System' . . . . . . . . . . . . . . 19958 1 . no PDB 2KX9 . 'Solution Structure Of The Enzyme I Dimer Using Residual Dipolar Couplings And Small Angle X-Ray Scattering' . . . . . . . . . . . . . . 19958 1 . no PDB 2L5H . 'Solution Structure Of The H189q Mutant Of The Enzyme I Dimer Using Residual Dipolar Couplings And Small Angle X-Ray Scattering' . . . . . . . . . . . . . . 19958 1 . no PDB 2XDF . 'Solution Structure Of The Enzyme I Dimer Complexed With Hpr Using Residual Dipolar Couplings And Small Angle X-Ray Scattering' . . . . . . . . . . . . . . 19958 1 . no PDB 3EZA . 'Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli' . . . . . . . . . . . . . . 19958 1 . no PDB 3EZB . 'Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli' . . . . . . . . . . . . . . 19958 1 . no PDB 3EZE . 'Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli' . . . . . . . . . . . . . . 19958 1 . no DBJ BAA16290 . 'PEP-protein phosphotransferase of PTS system [Escherichia coli str. K12 substr. W3110]' . . . . . . . . . . . . . . 19958 1 . no DBJ BAB36711 . 'PEP-protein phosphotransferase system enzyme I [Escherichia coli O157:H7 str. Sakai]' . . . . . . . . . . . . . . 19958 1 . no DBJ BAG78231 . 'PTS system enzyme I [Escherichia coli SE11]' . . . . . . . . . . . . . . 19958 1 . no DBJ BAI26669 . 'PEP-protein phosphotransferase PtsI [Escherichia coli O26:H11 str. 11368]' . . . . . . . . . . . . . . 19958 1 . no DBJ BAI31701 . 'PEP-protein phosphotransferase PtsI [Escherichia coli O103:H2 str. 12009]' . . . . . . . . . . . . . . 19958 1 . no EMBL CAP76888 . 'Phosphoenolpyruvate-protein phosphotransferase [Escherichia coli LF82]' . . . . . . . . . . . . . . 19958 1 . no EMBL CAQ32794 . 'PTS enzyme I, subunit of EIIAsc, EIIBgl, EIIChb, CmtAB mannitol PTS permease, enzyme II [glc], fructose PTS transporter, EIIABC' . . . . . . . . . . . . . . 19958 1 . no EMBL CAQ88296 . 'PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia fergusonii ATCC 35469]' . . . . . . . . . . . . . . 19958 1 . no EMBL CAQ99314 . 'PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli IAI1]' . . . . . . . . . . . . . . 19958 1 . no EMBL CAR03878 . 'PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli S88]' . . . . . . . . . . . . . . 19958 1 . no GB AAA24385 . 'enzyme I [Escherichia coli]' . . . . . . . . . . . . . . 19958 1 . no GB AAA24441 . 'enzyme I [Escherichia coli]' . . . . . . . . . . . . . . 19958 1 . no GB AAC75469 . 'PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli str. K-12 substr. MG1655]' . . . . . . . . . . . . . . 19958 1 . no GB AAG57535 . 'PEP-protein phosphotransferase system enzyme I [Escherichia coli O157:H7 str. EDL933]' . . . . . . . . . . . . . . 19958 1 . no GB AAN43978 . 'PEP-protein phosphotransferase system enzyme I [Shigella flexneri 2a str. 301]' . . . . . . . . . . . . . . 19958 1 . no REF NP_288978 . 'phosphoenolpyruvate-protein phosphotransferase [Escherichia coli O157:H7 str. EDL933]' . . . . . . . . . . . . . . 19958 1 . no REF NP_311315 . 'phosphoenolpyruvate-protein phosphotransferase [Escherichia coli O157:H7 str. Sakai]' . . . . . . . . . . . . . . 19958 1 . no REF NP_416911 . 'PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli str. K-12 substr. MG1655]' . . . . . . . . . . . . . . 19958 1 . no REF NP_708271 . 'phosphoenolpyruvate-protein phosphotransferase [Shigella flexneri 2a str. 301]' . . . . . . . . . . . . . . 19958 1 . no REF NP_754833 . 'phosphoenolpyruvate-protein phosphotransferase [Escherichia coli CFT073]' . . . . . . . . . . . . . . 19958 1 . no SP P08839 . 'RecName: Full=Phosphoenolpyruvate-protein phosphotransferase; AltName: Full=Phosphotransferase system, enzyme I' . . . . . . . . . . . . . . 19958 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID EIN abbreviation 19958 1 EIN variant 19958 1 'N-terminal Domain of Enzyme I' common 19958 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19958 1 2 2 ILE . 19958 1 3 3 SER . 19958 1 4 4 GLY . 19958 1 5 5 ILE . 19958 1 6 6 LEU . 19958 1 7 7 ALA . 19958 1 8 8 SER . 19958 1 9 9 PRO . 19958 1 10 10 GLY . 19958 1 11 11 ILE . 19958 1 12 12 ALA . 19958 1 13 13 PHE . 19958 1 14 14 GLY . 19958 1 15 15 LYS . 19958 1 16 16 ALA . 19958 1 17 17 LEU . 19958 1 18 18 LEU . 19958 1 19 19 LEU . 19958 1 20 20 LYS . 19958 1 21 21 GLU . 19958 1 22 22 ASP . 19958 1 23 23 GLU . 19958 1 24 24 ILE . 19958 1 25 25 VAL . 19958 1 26 26 ILE . 19958 1 27 27 ASP . 19958 1 28 28 ARG . 19958 1 29 29 LYS . 19958 1 30 30 LYS . 19958 1 31 31 ILE . 19958 1 32 32 SER . 19958 1 33 33 ALA . 19958 1 34 34 ASP . 19958 1 35 35 GLN . 19958 1 36 36 VAL . 19958 1 37 37 ASP . 19958 1 38 38 GLN . 19958 1 39 39 GLU . 19958 1 40 40 VAL . 19958 1 41 41 GLU . 19958 1 42 42 ARG . 19958 1 43 43 PHE . 19958 1 44 44 LEU . 19958 1 45 45 SER . 19958 1 46 46 GLY . 19958 1 47 47 ARG . 19958 1 48 48 ALA . 19958 1 49 49 LYS . 19958 1 50 50 ALA . 19958 1 51 51 SER . 19958 1 52 52 ALA . 19958 1 53 53 GLN . 19958 1 54 54 LEU . 19958 1 55 55 GLU . 19958 1 56 56 THR . 19958 1 57 57 ILE . 19958 1 58 58 LYS . 19958 1 59 59 THR . 19958 1 60 60 LYS . 19958 1 61 61 ALA . 19958 1 62 62 GLY . 19958 1 63 63 GLU . 19958 1 64 64 THR . 19958 1 65 65 PHE . 19958 1 66 66 GLY . 19958 1 67 67 GLU . 19958 1 68 68 GLU . 19958 1 69 69 LYS . 19958 1 70 70 GLU . 19958 1 71 71 ALA . 19958 1 72 72 ILE . 19958 1 73 73 PHE . 19958 1 74 74 GLU . 19958 1 75 75 GLY . 19958 1 76 76 HIS . 19958 1 77 77 ILE . 19958 1 78 78 MET . 19958 1 79 79 LEU . 19958 1 80 80 LEU . 19958 1 81 81 GLU . 19958 1 82 82 ASP . 19958 1 83 83 GLU . 19958 1 84 84 GLU . 19958 1 85 85 LEU . 19958 1 86 86 GLU . 19958 1 87 87 GLN . 19958 1 88 88 GLU . 19958 1 89 89 ILE . 19958 1 90 90 ILE . 19958 1 91 91 ALA . 19958 1 92 92 LEU . 19958 1 93 93 ILE . 19958 1 94 94 LYS . 19958 1 95 95 ASP . 19958 1 96 96 LYS . 19958 1 97 97 HIS . 19958 1 98 98 MET . 19958 1 99 99 THR . 19958 1 100 100 ALA . 19958 1 101 101 ASP . 19958 1 102 102 ALA . 19958 1 103 103 ALA . 19958 1 104 104 ALA . 19958 1 105 105 HIS . 19958 1 106 106 GLU . 19958 1 107 107 VAL . 19958 1 108 108 ILE . 19958 1 109 109 GLU . 19958 1 110 110 GLY . 19958 1 111 111 GLN . 19958 1 112 112 ALA . 19958 1 113 113 SER . 19958 1 114 114 ALA . 19958 1 115 115 LEU . 19958 1 116 116 GLU . 19958 1 117 117 GLU . 19958 1 118 118 LEU . 19958 1 119 119 ASP . 19958 1 120 120 ASP . 19958 1 121 121 GLU . 19958 1 122 122 TYR . 19958 1 123 123 LEU . 19958 1 124 124 LYS . 19958 1 125 125 GLU . 19958 1 126 126 ARG . 19958 1 127 127 ALA . 19958 1 128 128 ALA . 19958 1 129 129 ASP . 19958 1 130 130 VAL . 19958 1 131 131 ARG . 19958 1 132 132 ASP . 19958 1 133 133 ILE . 19958 1 134 134 GLY . 19958 1 135 135 LYS . 19958 1 136 136 ARG . 19958 1 137 137 LEU . 19958 1 138 138 LEU . 19958 1 139 139 ARG . 19958 1 140 140 ASN . 19958 1 141 141 ILE . 19958 1 142 142 LEU . 19958 1 143 143 GLY . 19958 1 144 144 LEU . 19958 1 145 145 LYS . 19958 1 146 146 ILE . 19958 1 147 147 ILE . 19958 1 148 148 ASP . 19958 1 149 149 LEU . 19958 1 150 150 SER . 19958 1 151 151 ALA . 19958 1 152 152 ILE . 19958 1 153 153 GLN . 19958 1 154 154 ASP . 19958 1 155 155 GLU . 19958 1 156 156 VAL . 19958 1 157 157 ILE . 19958 1 158 158 LEU . 19958 1 159 159 VAL . 19958 1 160 160 ALA . 19958 1 161 161 ALA . 19958 1 162 162 ASP . 19958 1 163 163 LEU . 19958 1 164 164 THR . 19958 1 165 165 PRO . 19958 1 166 166 SER . 19958 1 167 167 GLU . 19958 1 168 168 THR . 19958 1 169 169 ALA . 19958 1 170 170 GLN . 19958 1 171 171 LEU . 19958 1 172 172 ASN . 19958 1 173 173 LEU . 19958 1 174 174 LYS . 19958 1 175 175 LYS . 19958 1 176 176 VAL . 19958 1 177 177 LEU . 19958 1 178 178 GLY . 19958 1 179 179 PHE . 19958 1 180 180 ILE . 19958 1 181 181 THR . 19958 1 182 182 ASP . 19958 1 183 183 ALA . 19958 1 184 184 GLY . 19958 1 185 185 GLY . 19958 1 186 186 ARG . 19958 1 187 187 THR . 19958 1 188 188 SER . 19958 1 189 189 HIS . 19958 1 190 190 THR . 19958 1 191 191 SER . 19958 1 192 192 ILE . 19958 1 193 193 MET . 19958 1 194 194 ALA . 19958 1 195 195 ARG . 19958 1 196 196 SER . 19958 1 197 197 LEU . 19958 1 198 198 GLU . 19958 1 199 199 LEU . 19958 1 200 200 PRO . 19958 1 201 201 ALA . 19958 1 202 202 ILE . 19958 1 203 203 VAL . 19958 1 204 204 GLY . 19958 1 205 205 THR . 19958 1 206 206 GLY . 19958 1 207 207 SER . 19958 1 208 208 VAL . 19958 1 209 209 THR . 19958 1 210 210 SER . 19958 1 211 211 GLN . 19958 1 212 212 VAL . 19958 1 213 213 LYS . 19958 1 214 214 ASN . 19958 1 215 215 ASP . 19958 1 216 216 ASP . 19958 1 217 217 TYR . 19958 1 218 218 LEU . 19958 1 219 219 ILE . 19958 1 220 220 LEU . 19958 1 221 221 ASP . 19958 1 222 222 ALA . 19958 1 223 223 VAL . 19958 1 224 224 ASN . 19958 1 225 225 ASN . 19958 1 226 226 GLN . 19958 1 227 227 VAL . 19958 1 228 228 TYR . 19958 1 229 229 VAL . 19958 1 230 230 ASN . 19958 1 231 231 PRO . 19958 1 232 232 THR . 19958 1 233 233 ASN . 19958 1 234 234 GLU . 19958 1 235 235 VAL . 19958 1 236 236 ILE . 19958 1 237 237 ASP . 19958 1 238 238 LYS . 19958 1 239 239 MET . 19958 1 240 240 ARG . 19958 1 241 241 ALA . 19958 1 242 242 VAL . 19958 1 243 243 GLN . 19958 1 244 244 GLU . 19958 1 245 245 GLN . 19958 1 246 246 VAL . 19958 1 247 247 ALA . 19958 1 248 248 SER . 19958 1 249 249 GLU . 19958 1 250 250 LYS . 19958 1 251 251 ALA . 19958 1 252 252 GLU . 19958 1 253 253 LEU . 19958 1 254 254 ALA . 19958 1 255 255 LYS . 19958 1 256 256 LEU . 19958 1 257 257 LYS . 19958 1 258 258 ASP . 19958 1 259 259 ARG . 19958 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 19958 1 . ILE 2 2 19958 1 . SER 3 3 19958 1 . GLY 4 4 19958 1 . ILE 5 5 19958 1 . LEU 6 6 19958 1 . ALA 7 7 19958 1 . SER 8 8 19958 1 . PRO 9 9 19958 1 . GLY 10 10 19958 1 . ILE 11 11 19958 1 . ALA 12 12 19958 1 . PHE 13 13 19958 1 . GLY 14 14 19958 1 . LYS 15 15 19958 1 . ALA 16 16 19958 1 . LEU 17 17 19958 1 . LEU 18 18 19958 1 . LEU 19 19 19958 1 . LYS 20 20 19958 1 . GLU 21 21 19958 1 . ASP 22 22 19958 1 . GLU 23 23 19958 1 . ILE 24 24 19958 1 . VAL 25 25 19958 1 . ILE 26 26 19958 1 . ASP 27 27 19958 1 . ARG 28 28 19958 1 . LYS 29 29 19958 1 . LYS 30 30 19958 1 . ILE 31 31 19958 1 . SER 32 32 19958 1 . ALA 33 33 19958 1 . ASP 34 34 19958 1 . GLN 35 35 19958 1 . VAL 36 36 19958 1 . ASP 37 37 19958 1 . GLN 38 38 19958 1 . GLU 39 39 19958 1 . VAL 40 40 19958 1 . GLU 41 41 19958 1 . ARG 42 42 19958 1 . PHE 43 43 19958 1 . LEU 44 44 19958 1 . SER 45 45 19958 1 . GLY 46 46 19958 1 . ARG 47 47 19958 1 . ALA 48 48 19958 1 . LYS 49 49 19958 1 . ALA 50 50 19958 1 . SER 51 51 19958 1 . ALA 52 52 19958 1 . GLN 53 53 19958 1 . LEU 54 54 19958 1 . GLU 55 55 19958 1 . THR 56 56 19958 1 . ILE 57 57 19958 1 . LYS 58 58 19958 1 . THR 59 59 19958 1 . LYS 60 60 19958 1 . ALA 61 61 19958 1 . GLY 62 62 19958 1 . GLU 63 63 19958 1 . THR 64 64 19958 1 . PHE 65 65 19958 1 . GLY 66 66 19958 1 . GLU 67 67 19958 1 . GLU 68 68 19958 1 . LYS 69 69 19958 1 . GLU 70 70 19958 1 . ALA 71 71 19958 1 . ILE 72 72 19958 1 . PHE 73 73 19958 1 . GLU 74 74 19958 1 . GLY 75 75 19958 1 . HIS 76 76 19958 1 . ILE 77 77 19958 1 . MET 78 78 19958 1 . LEU 79 79 19958 1 . LEU 80 80 19958 1 . GLU 81 81 19958 1 . ASP 82 82 19958 1 . GLU 83 83 19958 1 . GLU 84 84 19958 1 . LEU 85 85 19958 1 . GLU 86 86 19958 1 . GLN 87 87 19958 1 . GLU 88 88 19958 1 . ILE 89 89 19958 1 . ILE 90 90 19958 1 . ALA 91 91 19958 1 . LEU 92 92 19958 1 . ILE 93 93 19958 1 . LYS 94 94 19958 1 . ASP 95 95 19958 1 . LYS 96 96 19958 1 . HIS 97 97 19958 1 . MET 98 98 19958 1 . THR 99 99 19958 1 . ALA 100 100 19958 1 . ASP 101 101 19958 1 . ALA 102 102 19958 1 . ALA 103 103 19958 1 . ALA 104 104 19958 1 . HIS 105 105 19958 1 . GLU 106 106 19958 1 . VAL 107 107 19958 1 . ILE 108 108 19958 1 . GLU 109 109 19958 1 . GLY 110 110 19958 1 . GLN 111 111 19958 1 . ALA 112 112 19958 1 . SER 113 113 19958 1 . ALA 114 114 19958 1 . LEU 115 115 19958 1 . GLU 116 116 19958 1 . GLU 117 117 19958 1 . LEU 118 118 19958 1 . ASP 119 119 19958 1 . ASP 120 120 19958 1 . GLU 121 121 19958 1 . TYR 122 122 19958 1 . LEU 123 123 19958 1 . LYS 124 124 19958 1 . GLU 125 125 19958 1 . ARG 126 126 19958 1 . ALA 127 127 19958 1 . ALA 128 128 19958 1 . ASP 129 129 19958 1 . VAL 130 130 19958 1 . ARG 131 131 19958 1 . ASP 132 132 19958 1 . ILE 133 133 19958 1 . GLY 134 134 19958 1 . LYS 135 135 19958 1 . ARG 136 136 19958 1 . LEU 137 137 19958 1 . LEU 138 138 19958 1 . ARG 139 139 19958 1 . ASN 140 140 19958 1 . ILE 141 141 19958 1 . LEU 142 142 19958 1 . GLY 143 143 19958 1 . LEU 144 144 19958 1 . LYS 145 145 19958 1 . ILE 146 146 19958 1 . ILE 147 147 19958 1 . ASP 148 148 19958 1 . LEU 149 149 19958 1 . SER 150 150 19958 1 . ALA 151 151 19958 1 . ILE 152 152 19958 1 . GLN 153 153 19958 1 . ASP 154 154 19958 1 . GLU 155 155 19958 1 . VAL 156 156 19958 1 . ILE 157 157 19958 1 . LEU 158 158 19958 1 . VAL 159 159 19958 1 . ALA 160 160 19958 1 . ALA 161 161 19958 1 . ASP 162 162 19958 1 . LEU 163 163 19958 1 . THR 164 164 19958 1 . PRO 165 165 19958 1 . SER 166 166 19958 1 . GLU 167 167 19958 1 . THR 168 168 19958 1 . ALA 169 169 19958 1 . GLN 170 170 19958 1 . LEU 171 171 19958 1 . ASN 172 172 19958 1 . LEU 173 173 19958 1 . LYS 174 174 19958 1 . LYS 175 175 19958 1 . VAL 176 176 19958 1 . LEU 177 177 19958 1 . GLY 178 178 19958 1 . PHE 179 179 19958 1 . ILE 180 180 19958 1 . THR 181 181 19958 1 . ASP 182 182 19958 1 . ALA 183 183 19958 1 . GLY 184 184 19958 1 . GLY 185 185 19958 1 . ARG 186 186 19958 1 . THR 187 187 19958 1 . SER 188 188 19958 1 . HIS 189 189 19958 1 . THR 190 190 19958 1 . SER 191 191 19958 1 . ILE 192 192 19958 1 . MET 193 193 19958 1 . ALA 194 194 19958 1 . ARG 195 195 19958 1 . SER 196 196 19958 1 . LEU 197 197 19958 1 . GLU 198 198 19958 1 . LEU 199 199 19958 1 . PRO 200 200 19958 1 . ALA 201 201 19958 1 . ILE 202 202 19958 1 . VAL 203 203 19958 1 . GLY 204 204 19958 1 . THR 205 205 19958 1 . GLY 206 206 19958 1 . SER 207 207 19958 1 . VAL 208 208 19958 1 . THR 209 209 19958 1 . SER 210 210 19958 1 . GLN 211 211 19958 1 . VAL 212 212 19958 1 . LYS 213 213 19958 1 . ASN 214 214 19958 1 . ASP 215 215 19958 1 . ASP 216 216 19958 1 . TYR 217 217 19958 1 . LEU 218 218 19958 1 . ILE 219 219 19958 1 . LEU 220 220 19958 1 . ASP 221 221 19958 1 . ALA 222 222 19958 1 . VAL 223 223 19958 1 . ASN 224 224 19958 1 . ASN 225 225 19958 1 . GLN 226 226 19958 1 . VAL 227 227 19958 1 . TYR 228 228 19958 1 . VAL 229 229 19958 1 . ASN 230 230 19958 1 . PRO 231 231 19958 1 . THR 232 232 19958 1 . ASN 233 233 19958 1 . GLU 234 234 19958 1 . VAL 235 235 19958 1 . ILE 236 236 19958 1 . ASP 237 237 19958 1 . LYS 238 238 19958 1 . MET 239 239 19958 1 . ARG 240 240 19958 1 . ALA 241 241 19958 1 . VAL 242 242 19958 1 . GLN 243 243 19958 1 . GLU 244 244 19958 1 . GLN 245 245 19958 1 . VAL 246 246 19958 1 . ALA 247 247 19958 1 . SER 248 248 19958 1 . GLU 249 249 19958 1 . LYS 250 250 19958 1 . ALA 251 251 19958 1 . GLU 252 252 19958 1 . LEU 253 253 19958 1 . ALA 254 254 19958 1 . LYS 255 255 19958 1 . LEU 256 256 19958 1 . LYS 257 257 19958 1 . ASP 258 258 19958 1 . ARG 259 259 19958 1 stop_ save_ save_EIN_EIIAGlc _Entity.Sf_category entity _Entity.Sf_framecode EIN_EIIAGlc _Entity.Entry_ID 19958 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name EIN_EIIAGlc _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GLFDKLKSLVSDDKKDTGTI EIIAPLSGEIVNIEDVPDVV FAEKIVGDGIAIKPTGNKMV APVDGTIGKIFETNHAFSIE SDSGVELFVHFGIDTVELKG EGFKRIAEEGQRVKVGDTVI EFDLPLLEEKAKSTLTPVVI SNMDEIKELIKLSGSVTVGE TPVIRIKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19958 2 2 2 LEU . 19958 2 3 3 PHE . 19958 2 4 4 ASP . 19958 2 5 5 LYS . 19958 2 6 6 LEU . 19958 2 7 7 LYS . 19958 2 8 8 SER . 19958 2 9 9 LEU . 19958 2 10 10 VAL . 19958 2 11 11 SER . 19958 2 12 12 ASP . 19958 2 13 13 ASP . 19958 2 14 14 LYS . 19958 2 15 15 LYS . 19958 2 16 16 ASP . 19958 2 17 17 THR . 19958 2 18 18 GLY . 19958 2 19 19 THR . 19958 2 20 20 ILE . 19958 2 21 21 GLU . 19958 2 22 22 ILE . 19958 2 23 23 ILE . 19958 2 24 24 ALA . 19958 2 25 25 PRO . 19958 2 26 26 LEU . 19958 2 27 27 SER . 19958 2 28 28 GLY . 19958 2 29 29 GLU . 19958 2 30 30 ILE . 19958 2 31 31 VAL . 19958 2 32 32 ASN . 19958 2 33 33 ILE . 19958 2 34 34 GLU . 19958 2 35 35 ASP . 19958 2 36 36 VAL . 19958 2 37 37 PRO . 19958 2 38 38 ASP . 19958 2 39 39 VAL . 19958 2 40 40 VAL . 19958 2 41 41 PHE . 19958 2 42 42 ALA . 19958 2 43 43 GLU . 19958 2 44 44 LYS . 19958 2 45 45 ILE . 19958 2 46 46 VAL . 19958 2 47 47 GLY . 19958 2 48 48 ASP . 19958 2 49 49 GLY . 19958 2 50 50 ILE . 19958 2 51 51 ALA . 19958 2 52 52 ILE . 19958 2 53 53 LYS . 19958 2 54 54 PRO . 19958 2 55 55 THR . 19958 2 56 56 GLY . 19958 2 57 57 ASN . 19958 2 58 58 LYS . 19958 2 59 59 MET . 19958 2 60 60 VAL . 19958 2 61 61 ALA . 19958 2 62 62 PRO . 19958 2 63 63 VAL . 19958 2 64 64 ASP . 19958 2 65 65 GLY . 19958 2 66 66 THR . 19958 2 67 67 ILE . 19958 2 68 68 GLY . 19958 2 69 69 LYS . 19958 2 70 70 ILE . 19958 2 71 71 PHE . 19958 2 72 72 GLU . 19958 2 73 73 THR . 19958 2 74 74 ASN . 19958 2 75 75 HIS . 19958 2 76 76 ALA . 19958 2 77 77 PHE . 19958 2 78 78 SER . 19958 2 79 79 ILE . 19958 2 80 80 GLU . 19958 2 81 81 SER . 19958 2 82 82 ASP . 19958 2 83 83 SER . 19958 2 84 84 GLY . 19958 2 85 85 VAL . 19958 2 86 86 GLU . 19958 2 87 87 LEU . 19958 2 88 88 PHE . 19958 2 89 89 VAL . 19958 2 90 90 HIS . 19958 2 91 91 PHE . 19958 2 92 92 GLY . 19958 2 93 93 ILE . 19958 2 94 94 ASP . 19958 2 95 95 THR . 19958 2 96 96 VAL . 19958 2 97 97 GLU . 19958 2 98 98 LEU . 19958 2 99 99 LYS . 19958 2 100 100 GLY . 19958 2 101 101 GLU . 19958 2 102 102 GLY . 19958 2 103 103 PHE . 19958 2 104 104 LYS . 19958 2 105 105 ARG . 19958 2 106 106 ILE . 19958 2 107 107 ALA . 19958 2 108 108 GLU . 19958 2 109 109 GLU . 19958 2 110 110 GLY . 19958 2 111 111 GLN . 19958 2 112 112 ARG . 19958 2 113 113 VAL . 19958 2 114 114 LYS . 19958 2 115 115 VAL . 19958 2 116 116 GLY . 19958 2 117 117 ASP . 19958 2 118 118 THR . 19958 2 119 119 VAL . 19958 2 120 120 ILE . 19958 2 121 121 GLU . 19958 2 122 122 PHE . 19958 2 123 123 ASP . 19958 2 124 124 LEU . 19958 2 125 125 PRO . 19958 2 126 126 LEU . 19958 2 127 127 LEU . 19958 2 128 128 GLU . 19958 2 129 129 GLU . 19958 2 130 130 LYS . 19958 2 131 131 ALA . 19958 2 132 132 LYS . 19958 2 133 133 SER . 19958 2 134 134 THR . 19958 2 135 135 LEU . 19958 2 136 136 THR . 19958 2 137 137 PRO . 19958 2 138 138 VAL . 19958 2 139 139 VAL . 19958 2 140 140 ILE . 19958 2 141 141 SER . 19958 2 142 142 ASN . 19958 2 143 143 MET . 19958 2 144 144 ASP . 19958 2 145 145 GLU . 19958 2 146 146 ILE . 19958 2 147 147 LYS . 19958 2 148 148 GLU . 19958 2 149 149 LEU . 19958 2 150 150 ILE . 19958 2 151 151 LYS . 19958 2 152 152 LEU . 19958 2 153 153 SER . 19958 2 154 154 GLY . 19958 2 155 155 SER . 19958 2 156 156 VAL . 19958 2 157 157 THR . 19958 2 158 158 VAL . 19958 2 159 159 GLY . 19958 2 160 160 GLU . 19958 2 161 161 THR . 19958 2 162 162 PRO . 19958 2 163 163 VAL . 19958 2 164 164 ILE . 19958 2 165 165 ARG . 19958 2 166 166 ILE . 19958 2 167 167 LYS . 19958 2 168 168 LYS . 19958 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19958 2 . LEU 2 2 19958 2 . PHE 3 3 19958 2 . ASP 4 4 19958 2 . LYS 5 5 19958 2 . LEU 6 6 19958 2 . LYS 7 7 19958 2 . SER 8 8 19958 2 . LEU 9 9 19958 2 . VAL 10 10 19958 2 . SER 11 11 19958 2 . ASP 12 12 19958 2 . ASP 13 13 19958 2 . LYS 14 14 19958 2 . LYS 15 15 19958 2 . ASP 16 16 19958 2 . THR 17 17 19958 2 . GLY 18 18 19958 2 . THR 19 19 19958 2 . ILE 20 20 19958 2 . GLU 21 21 19958 2 . ILE 22 22 19958 2 . ILE 23 23 19958 2 . ALA 24 24 19958 2 . PRO 25 25 19958 2 . LEU 26 26 19958 2 . SER 27 27 19958 2 . GLY 28 28 19958 2 . GLU 29 29 19958 2 . ILE 30 30 19958 2 . VAL 31 31 19958 2 . ASN 32 32 19958 2 . ILE 33 33 19958 2 . GLU 34 34 19958 2 . ASP 35 35 19958 2 . VAL 36 36 19958 2 . PRO 37 37 19958 2 . ASP 38 38 19958 2 . VAL 39 39 19958 2 . VAL 40 40 19958 2 . PHE 41 41 19958 2 . ALA 42 42 19958 2 . GLU 43 43 19958 2 . LYS 44 44 19958 2 . ILE 45 45 19958 2 . VAL 46 46 19958 2 . GLY 47 47 19958 2 . ASP 48 48 19958 2 . GLY 49 49 19958 2 . ILE 50 50 19958 2 . ALA 51 51 19958 2 . ILE 52 52 19958 2 . LYS 53 53 19958 2 . PRO 54 54 19958 2 . THR 55 55 19958 2 . GLY 56 56 19958 2 . ASN 57 57 19958 2 . LYS 58 58 19958 2 . MET 59 59 19958 2 . VAL 60 60 19958 2 . ALA 61 61 19958 2 . PRO 62 62 19958 2 . VAL 63 63 19958 2 . ASP 64 64 19958 2 . GLY 65 65 19958 2 . THR 66 66 19958 2 . ILE 67 67 19958 2 . GLY 68 68 19958 2 . LYS 69 69 19958 2 . ILE 70 70 19958 2 . PHE 71 71 19958 2 . GLU 72 72 19958 2 . THR 73 73 19958 2 . ASN 74 74 19958 2 . HIS 75 75 19958 2 . ALA 76 76 19958 2 . PHE 77 77 19958 2 . SER 78 78 19958 2 . ILE 79 79 19958 2 . GLU 80 80 19958 2 . SER 81 81 19958 2 . ASP 82 82 19958 2 . SER 83 83 19958 2 . GLY 84 84 19958 2 . VAL 85 85 19958 2 . GLU 86 86 19958 2 . LEU 87 87 19958 2 . PHE 88 88 19958 2 . VAL 89 89 19958 2 . HIS 90 90 19958 2 . PHE 91 91 19958 2 . GLY 92 92 19958 2 . ILE 93 93 19958 2 . ASP 94 94 19958 2 . THR 95 95 19958 2 . VAL 96 96 19958 2 . GLU 97 97 19958 2 . LEU 98 98 19958 2 . LYS 99 99 19958 2 . GLY 100 100 19958 2 . GLU 101 101 19958 2 . GLY 102 102 19958 2 . PHE 103 103 19958 2 . LYS 104 104 19958 2 . ARG 105 105 19958 2 . ILE 106 106 19958 2 . ALA 107 107 19958 2 . GLU 108 108 19958 2 . GLU 109 109 19958 2 . GLY 110 110 19958 2 . GLN 111 111 19958 2 . ARG 112 112 19958 2 . VAL 113 113 19958 2 . LYS 114 114 19958 2 . VAL 115 115 19958 2 . GLY 116 116 19958 2 . ASP 117 117 19958 2 . THR 118 118 19958 2 . VAL 119 119 19958 2 . ILE 120 120 19958 2 . GLU 121 121 19958 2 . PHE 122 122 19958 2 . ASP 123 123 19958 2 . LEU 124 124 19958 2 . PRO 125 125 19958 2 . LEU 126 126 19958 2 . LEU 127 127 19958 2 . GLU 128 128 19958 2 . GLU 129 129 19958 2 . LYS 130 130 19958 2 . ALA 131 131 19958 2 . LYS 132 132 19958 2 . SER 133 133 19958 2 . THR 134 134 19958 2 . LEU 135 135 19958 2 . THR 136 136 19958 2 . PRO 137 137 19958 2 . VAL 138 138 19958 2 . VAL 139 139 19958 2 . ILE 140 140 19958 2 . SER 141 141 19958 2 . ASN 142 142 19958 2 . MET 143 143 19958 2 . ASP 144 144 19958 2 . GLU 145 145 19958 2 . ILE 146 146 19958 2 . LYS 147 147 19958 2 . GLU 148 148 19958 2 . LEU 149 149 19958 2 . ILE 150 150 19958 2 . LYS 151 151 19958 2 . LEU 152 152 19958 2 . SER 153 153 19958 2 . GLY 154 154 19958 2 . SER 155 155 19958 2 . VAL 156 156 19958 2 . THR 157 157 19958 2 . VAL 158 158 19958 2 . GLY 159 159 19958 2 . GLU 160 160 19958 2 . THR 161 161 19958 2 . PRO 162 162 19958 2 . VAL 163 163 19958 2 . ILE 164 164 19958 2 . ARG 165 165 19958 2 . ILE 166 166 19958 2 . LYS 167 167 19958 2 . LYS 168 168 19958 2 stop_ save_ save_entity_PO3 _Entity.Sf_category entity _Entity.Sf_framecode entity_PO3 _Entity.Entry_ID 19958 _Entity.ID 3 _Entity.BMRB_code PO3 _Entity.Name 'PHOSPHITE ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 PO3 _Entity.Nonpolymer_comp_label $chem_comp_PO3 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 78.972 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHOSPHITE ION' BMRB 19958 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PHOSPHITE ION' BMRB 19958 3 PO3 'Three letter code' 19958 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PO3 $chem_comp_PO3 19958 3 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 19958 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 2 $EIN_EIIAGlc . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli G1698 . . . . . . . . . PLP2 . . 19958 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 19958 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 2 $EIN_EIIAGlc . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli G1698 . . . . . pET11a . . . 19958 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PO3 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PO3 _Chem_comp.Entry_ID 19958 _Chem_comp.ID PO3 _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHITE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PO3 _Chem_comp.PDB_code PO3 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PO3 _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/O3P/c1-4(2)3/q-3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge -3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'O3 P' _Chem_comp.Formula_weight 78.972 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1SHD _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID AQSJGOWTSHOLKH-UHFFFAOYSA-N InChIKey InChI 1.03 19958 PO3 InChI=1S/O3P/c1-4(2)3/q-3 InChI InChI 1.03 19958 PO3 [O-][P-](=O)[O-] SMILES 'OpenEye OEToolkits' 1.5.0 19958 PO3 [O-][P-](=O)[O-] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19958 PO3 [O-][P-]([O-])=O SMILES CACTVS 3.341 19958 PO3 [O-][P-]([O-])=O SMILES_CANONICAL CACTVS 3.341 19958 PO3 [O-][PH2-]([O-])=O SMILES ACDLabs 10.04 19958 PO3 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID dihydrido(dioxido)oxophosphate(1-) 'SYSTEMATIC NAME' ACDLabs 10.04 19958 PO3 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P P P P . P . . N -1 . . . 1 no no . . . . 20.600 . 16.630 . 4.288 . 0.000 0.000 -0.500 1 . 19958 PO3 O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 21.419 . 17.062 . 3.109 . -1.207 0.568 0.322 2 . 19958 PO3 O2 O2 O2 O2 . O . . N -1 . . . 1 no no . . . . 21.059 . 15.356 . 4.954 . 1.095 0.761 0.322 3 . 19958 PO3 O3 O3 O3 O3 . O . . N -1 . . . 1 no no . . . . 20.235 . 17.738 . 5.241 . 0.112 -1.329 0.322 4 . 19958 PO3 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB P O1 no N 1 . 19958 PO3 2 . SING P O2 no N 2 . 19958 PO3 3 . SING P O3 no N 3 . 19958 PO3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_DCN _Sample.Sf_category sample _Sample.Sf_framecode sample_DCN _Sample.Entry_ID 19958 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal Domain of Enzyme I' '[U-99% 15N]' . . 1 $N-terminal_Domain_of_Enzyme_I . . 0.5 . . mM . . . . 19958 1 2 'Enzyme II of Glucose' '[U-99% 15N]' . . 2 $EIN_EIIAGlc . . 0.5 . . mM . . . . 19958 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19958 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19958 1 stop_ save_ save_sample_HN _Sample.Sf_category sample _Sample.Sf_framecode sample_HN _Sample.Entry_ID 19958 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal Domain of Enzyme I' '[U-100% 1H; U-100% 12C; U-99%1 5N]' . . 1 $N-terminal_Domain_of_Enzyme_I . . . 1 14 mM . . . . 19958 2 2 'EIN EIIAGlc' '[U-99% 15N]' . . 2 $EIN_EIIAGlc . . . 1 14 mM . . . . 19958 2 3 EIN 'natural abundance' . . . . . . . 1 14 mM . . . . 19958 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19958 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19958 2 stop_ save_ save_sample_DN _Sample.Sf_category sample _Sample.Sf_framecode sample_DN _Sample.Entry_ID 19958 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal Domain of Enzyme I' '[U-100% 2H; U-100% 12C; U-99% 15N]' . . 1 $N-terminal_Domain_of_Enzyme_I . . 1.4-1.5 . . mM . . . . 19958 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19958 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19958 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 19958 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample pH varied from 7.2 to 7.4' 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 7.4 0.5 na 19958 1 temperature 313.4 2 K 19958 1 stop_ save_ ############################ # Computer software used # ############################ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 19958 _Software.ID 1 _Software.Type . _Software.Name PIPP _Software.Version '3.5.6 to 3.9.9' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 19958 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19958 1 'data analysis' 19958 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19958 _Software.ID 2 _Software.Type . _Software.Name nmrPipe _Software.Version 1.x _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19958 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19958 2 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 19958 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19958 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19958 _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 Avance . 800 . . . 19958 1 2 spectrometer_2 Bruker Avance . 600 . . . 19958 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 19958 _Experiment_list.ID 1 _Experiment_list.Details ; 5 2D Exps (15N HSQC, 13C HSQC, HNCG, HN(CO)CG, HOHAHA); 17 3D Exps (too many to list, check paper); 3 4D Exps (13C,13C NOE, 13C,15N NOE, 15N,15N NOE). ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_HN isotropic . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 19958 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_DN isotropic . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 19958 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 19958 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0.5 external indirect 1 . . . . . 19958 1 H 1 water nitrogen . . . . ppm 0.5 external indirect 1 . . . . . 19958 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0.5 external indirect 1 . . . . . 19958 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_assignment_EIN _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_EIN _Assigned_chem_shift_list.Entry_ID 19958 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 '2D 1H-15N HSQC' 1 $sample_DCN . 19958 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.Ambiguity_set_ID _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 77 77 ILE N N 15 120.835 . . . . . . . . 77 ILE N . 19958 1 2 . 1 1 78 78 MET N N 15 117.406 . . . . . . . . 78 MET N . 19958 1 3 . 1 1 80 80 LEU N N 15 118.182 . . . . . . . . 80 LEU N . 19958 1 4 . 1 1 81 81 GLU N N 15 113.97 . . . . . . . . 81 GLU N . 19958 1 5 . 1 1 82 82 ASP N N 15 121.802 . . . . . . . . 82 ASP N . 19958 1 6 . 1 1 83 83 GLU N N 15 129.487 . . . . . . . . 83 GLU N . 19958 1 7 . 1 1 85 85 LEU N N 15 122.736 . . . . . . . . 85 LEU N . 19958 1 8 . 1 1 86 86 GLU N N 15 117.781 . . . . . . . . 86 GLU N . 19958 1 9 . 1 1 87 87 GLN N N 15 116.448 . . . . . . . . 87 GLN N . 19958 1 10 . 1 1 88 88 GLU N N 15 120.862 . . . . . . . . 88 GLU N . 19958 1 11 . 1 1 89 89 ILE N N 15 120.382 . . . . . . . . 89 ILE N . 19958 1 12 . 1 1 90 90 ILE N N 15 118.358 . . . . . . . . 90 ILE N . 19958 1 13 . 1 1 91 91 ALA N N 15 121.226 . . . . . . . . 91 ALA N . 19958 1 14 . 1 1 92 92 LEU N N 15 118.424 . . . . . . . . 92 LEU N . 19958 1 15 . 1 1 93 93 ILE N N 15 120.662 . . . . . . . . 93 ILE N . 19958 1 16 . 1 1 94 94 LYS N N 15 115.706 . . . . . . . . 94 LYS N . 19958 1 17 . 1 1 96 96 LYS N N 15 115.607 . . . . . . . . 96 LYS N . 19958 1 18 . 1 1 97 97 HIS N N 15 116.047 . . . . . . . . 97 HIS N . 19958 1 19 . 1 1 98 98 MET N N 15 117.441 . . . . . . . . 98 MET N . 19958 1 20 . 1 1 99 99 THR N N 15 106.668 . . . . . . . . 99 THR N . 19958 1 21 . 1 1 100 100 ALA N N 15 121.925 . . . . . . . . 100 ALA N . 19958 1 22 . 1 1 101 101 ASP N N 15 109.526 . . . . . . . . 101 ASP N . 19958 1 23 . 1 1 102 102 ALA N N 15 123.381 . . . . . . . . 102 ALA N . 19958 1 24 . 1 1 103 103 ALA N N 15 121.566 . . . . . . . . 103 ALA N . 19958 1 25 . 1 1 104 104 ALA N N 15 118.119 . . . . . . . . 104 ALA N . 19958 1 26 . 1 1 105 105 HIS N N 15 116.108 . . . . . . . . 105 HIS N . 19958 1 27 . 1 1 107 107 VAL N N 15 120.032 . . . . . . . . 107 VAL N . 19958 1 28 . 1 1 108 108 ILE N N 15 121.598 . . . . . . . . 108 ILE N . 19958 1 29 . 1 1 109 109 GLU N N 15 118.742 . . . . . . . . 109 GLU N . 19958 1 30 . 1 1 110 110 GLY N N 15 108.36 . . . . . . . . 110 GLY N . 19958 1 31 . 1 1 111 111 GLN N N 15 122.683 . . . . . . . . 111 GLN N . 19958 1 32 . 1 1 112 112 ALA N N 15 121.801 . . . . . . . . 112 ALA N . 19958 1 33 . 1 1 113 113 SER N N 15 112.646 . . . . . . . . 113 SER N . 19958 1 34 . 1 1 114 114 ALA N N 15 123.573 . . . . . . . . 114 ALA N . 19958 1 35 . 1 1 115 115 LEU N N 15 118.359 . . . . . . . . 115 LEU N . 19958 1 36 . 1 1 116 116 GLU N N 15 116.178 . . . . . . . . 116 GLU N . 19958 1 37 . 1 1 117 117 GLU N N 15 117.456 . . . . . . . . 117 GLU N . 19958 1 38 . 1 1 118 118 LEU N N 15 119.619 . . . . . . . . 118 LEU N . 19958 1 39 . 1 1 119 119 ASP N N 15 118.724 . . . . . . . . 119 ASP N . 19958 1 40 . 1 1 120 120 ASP N N 15 120.072 . . . . . . . . 120 ASP N . 19958 1 41 . 1 1 121 121 GLU N N 15 127.347 . . . . . . . . 121 GLU N . 19958 1 42 . 1 1 122 122 TYR N N 15 119.855 . . . . . . . . 122 TYR N . 19958 1 43 . 1 1 124 124 LYS N N 15 119.602 . . . . . . . . 124 LYS N . 19958 1 44 . 1 1 125 125 GLU N N 15 120.501 . . . . . . . . 125 GLU N . 19958 1 45 . 1 1 127 127 ALA N N 15 122.142 . . . . . . . . 127 ALA N . 19958 1 46 . 1 1 128 128 ALA N N 15 119.348 . . . . . . . . 128 ALA N . 19958 1 47 . 1 1 129 129 ASP N N 15 121.156 . . . . . . . . 129 ASP N . 19958 1 48 . 1 1 131 131 ARG N N 15 117.881 . . . . . . . . 131 ARG N . 19958 1 49 . 1 1 132 132 ASP N N 15 122.264 . . . . . . . . 132 ASP N . 19958 1 50 . 1 1 133 133 ILE N N 15 120.299 . . . . . . . . 133 ILE N . 19958 1 51 . 1 1 134 134 GLY N N 15 109.218 . . . . . . . . 134 GLY N . 19958 1 52 . 1 1 135 135 LYS N N 15 122.983 . . . . . . . . 135 LYS N . 19958 1 53 . 1 1 137 137 LEU N N 15 122.944 . . . . . . . . 137 LEU N . 19958 1 54 . 1 1 138 138 LEU N N 15 119.57 . . . . . . . . 138 LEU N . 19958 1 55 . 1 1 139 139 ARG N N 15 116.774 . . . . . . . . 139 ARG N . 19958 1 56 . 1 1 140 140 ASN N N 15 115.464 . . . . . . . . 140 ASN N . 19958 1 57 . 1 1 141 141 ILE N N 15 122.8 . . . . . . . . 141 ILE N . 19958 1 58 . 1 1 142 142 LEU N N 15 116.224 . . . . . . . . 142 LEU N . 19958 1 59 . 1 1 143 143 GLY N N 15 109.467 . . . . . . . . 143 GLY N . 19958 1 60 . 1 1 144 144 LEU N N 15 120.299 . . . . . . . . 144 LEU N . 19958 1 61 . 1 1 145 145 LYS N N 15 120.865 . . . . . . . . 145 LYS N . 19958 1 62 . 1 1 146 146 ILE N N 15 126.615 . . . . . . . . 146 ILE N . 19958 1 63 . 1 1 147 147 ILE N N 15 129.525 . . . . . . . . 147 ILE N . 19958 1 64 . 1 1 148 148 ASP N N 15 126.964 . . . . . . . . 148 ASP N . 19958 1 65 . 1 1 149 149 LEU N N 15 126.531 . . . . . . . . 149 LEU N . 19958 1 66 . 1 1 150 150 SER N N 15 116.029 . . . . . . . . 150 SER N . 19958 1 67 . 1 1 151 151 ALA N N 15 125.19 . . . . . . . . 151 ALA N . 19958 1 68 . 1 1 152 152 ILE N N 15 119.459 . . . . . . . . 152 ILE N . 19958 1 69 . 1 1 153 153 GLN N N 15 125.333 . . . . . . . . 153 GLN N . 19958 1 70 . 1 1 154 154 ASP N N 15 120.479 . . . . . . . . 154 ASP N . 19958 1 71 . 1 1 155 155 GLU N N 15 118.001 . . . . . . . . 155 GLU N . 19958 1 72 . 1 1 156 156 VAL N N 15 115.838 . . . . . . . . 156 VAL N . 19958 1 73 . 1 1 157 157 ILE N N 15 121.914 . . . . . . . . 157 ILE N . 19958 1 74 . 1 1 158 158 LEU N N 15 128.963 . . . . . . . . 158 LEU N . 19958 1 75 . 1 1 159 159 VAL N N 15 125.983 . . . . . . . . 159 VAL N . 19958 1 76 . 1 1 160 160 ALA N N 15 126.322 . . . . . . . . 160 ALA N . 19958 1 77 . 1 1 161 161 ALA N N 15 125.602 . . . . . . . . 161 ALA N . 19958 1 78 . 1 1 162 162 ASP N N 15 110.412 . . . . . . . . 162 ASP N . 19958 1 79 . 1 1 163 163 LEU N N 15 119.607 . . . . . . . . 163 LEU N . 19958 1 80 . 1 1 164 164 THR N N 15 115.751 . . . . . . . . 164 THR N . 19958 1 81 . 1 1 166 166 SER N N 15 112.226 . . . . . . . . 166 SER N . 19958 1 82 . 1 1 167 167 GLU N N 15 121.274 . . . . . . . . 167 GLU N . 19958 1 83 . 1 1 168 168 THR N N 15 110.532 . . . . . . . . 168 THR N . 19958 1 84 . 1 1 169 169 ALA N N 15 120.797 . . . . . . . . 169 ALA N . 19958 1 85 . 1 1 170 170 GLN N N 15 112.323 . . . . . . . . 170 GLN N . 19958 1 86 . 1 1 171 171 LEU N N 15 117.346 . . . . . . . . 171 LEU N . 19958 1 87 . 1 1 172 172 ASN N N 15 118.696 . . . . . . . . 172 ASN N . 19958 1 88 . 1 1 173 173 LEU N N 15 125.763 . . . . . . . . 173 LEU N . 19958 1 89 . 1 1 174 174 LYS N N 15 116.058 . . . . . . . . 174 LYS N . 19958 1 90 . 1 1 175 175 LYS N N 15 116.442 . . . . . . . . 175 LYS N . 19958 1 91 . 1 1 176 176 VAL N N 15 117.87 . . . . . . . . 176 VAL N . 19958 1 92 . 1 1 177 177 LEU N N 15 123.541 . . . . . . . . 177 LEU N . 19958 1 93 . 1 1 178 178 GLY N N 15 129.371 . . . . . . . . 178 GLY N . 19958 1 94 . 1 1 179 179 PHE N N 15 115.755 . . . . . . . . 179 PHE N . 19958 1 95 . 1 1 180 180 ILE N N 15 120.177 . . . . . . . . 180 ILE N . 19958 1 96 . 1 1 181 181 THR N N 15 112.155 . . . . . . . . 181 THR N . 19958 1 97 . 1 1 182 182 ASP N N 15 124.662 . . . . . . . . 182 ASP N . 19958 1 98 . 1 1 183 183 ALA N N 15 122.55 . . . . . . . . 183 ALA N . 19958 1 99 . 1 1 184 184 GLY N N 15 110.354 . . . . . . . . 184 GLY N . 19958 1 100 . 1 1 185 185 GLY N N 15 104.856 . . . . . . . . 185 GLY N . 19958 1 101 . 1 1 190 190 THR N N 15 114.918 . . . . . . . . 190 THR N . 19958 1 102 . 1 1 192 192 ILE N N 15 121.529 . . . . . . . . 192 ILE N . 19958 1 103 . 1 1 193 193 MET N N 15 121.215 . . . . . . . . 193 MET N . 19958 1 104 . 1 1 194 194 ALA N N 15 122.487 . . . . . . . . 194 ALA N . 19958 1 105 . 1 1 196 196 SER N N 15 116.823 . . . . . . . . 196 SER N . 19958 1 106 . 1 1 197 197 LEU N N 15 121.005 . . . . . . . . 197 LEU N . 19958 1 107 . 1 1 198 198 GLU N N 15 116.956 . . . . . . . . 198 GLU N . 19958 1 108 . 1 1 201 201 ALA N N 15 119.292 . . . . . . . . 201 ALA N . 19958 1 109 . 1 1 202 202 ILE N N 15 122.801 . . . . . . . . 202 ILE N . 19958 1 110 . 1 1 203 203 VAL N N 15 116.772 . . . . . . . . 203 VAL N . 19958 1 111 . 1 1 204 204 GLY N N 15 106.835 . . . . . . . . 204 GLY N . 19958 1 112 . 1 1 205 205 THR N N 15 107.016 . . . . . . . . 205 THR N . 19958 1 113 . 1 1 206 206 GLY N N 15 116 . . . . . . . . 206 GLY N . 19958 1 114 . 1 1 207 207 SER N N 15 113.258 . . . . . . . . 207 SER N . 19958 1 115 . 1 1 208 208 VAL N N 15 128.14 . . . . . . . . 208 VAL N . 19958 1 116 . 1 1 209 209 THR N N 15 113.598 . . . . . . . . 209 THR N . 19958 1 117 . 1 1 210 210 SER N N 15 114.836 . . . . . . . . 210 SER N . 19958 1 118 . 1 1 211 211 GLN N N 15 119.721 . . . . . . . . 211 GLN N . 19958 1 119 . 1 1 212 212 VAL N N 15 119.437 . . . . . . . . 212 VAL N . 19958 1 120 . 1 1 213 213 LYS N N 15 124.694 . . . . . . . . 213 LYS N . 19958 1 121 . 1 1 214 214 ASN N N 15 118.748 . . . . . . . . 214 ASN N . 19958 1 122 . 1 1 215 215 ASP N N 15 117.084 . . . . . . . . 215 ASP N . 19958 1 123 . 1 1 216 216 ASP N N 15 121.515 . . . . . . . . 216 ASP N . 19958 1 124 . 1 1 217 217 TYR N N 15 123.423 . . . . . . . . 217 TYR N . 19958 1 125 . 1 1 218 218 LEU N N 15 127.468 . . . . . . . . 218 LEU N . 19958 1 126 . 1 1 219 219 ILE N N 15 115.319 . . . . . . . . 219 ILE N . 19958 1 127 . 1 1 220 220 LEU N N 15 102.921 . . . . . . . . 220 LEU N . 19958 1 128 . 1 1 221 221 ASP N N 15 124.968 . . . . . . . . 221 ASP N . 19958 1 129 . 1 1 222 222 ALA N N 15 128.64 . . . . . . . . 222 ALA N . 19958 1 130 . 1 1 223 223 VAL N N 15 118.555 . . . . . . . . 223 VAL N . 19958 1 131 . 1 1 224 224 ASN N N 15 117.421 . . . . . . . . 224 ASN N . 19958 1 132 . 1 1 225 225 ASN N N 15 117.877 . . . . . . . . 225 ASN N . 19958 1 133 . 1 1 226 226 GLN N N 15 118.822 . . . . . . . . 226 GLN N . 19958 1 134 . 1 1 227 227 VAL N N 15 121.616 . . . . . . . . 227 VAL N . 19958 1 135 . 1 1 228 228 TYR N N 15 127.165 . . . . . . . . 228 TYR N . 19958 1 136 . 1 1 229 229 VAL N N 15 123.671 . . . . . . . . 229 VAL N . 19958 1 137 . 1 1 230 230 ASN N N 15 124.819 . . . . . . . . 230 ASN N . 19958 1 138 . 1 1 232 232 THR N N 15 109.552 . . . . . . . . 232 THR N . 19958 1 139 . 1 1 235 235 VAL N N 15 122.217 . . . . . . . . 235 VAL N . 19958 1 140 . 1 1 236 236 ILE N N 15 120.708 . . . . . . . . 236 ILE N . 19958 1 141 . 1 1 237 237 ASP N N 15 118.417 . . . . . . . . 237 ASP N . 19958 1 142 . 1 1 241 241 ALA N N 15 121.998 . . . . . . . . 241 ALA N . 19958 1 143 . 2 2 20 20 ILE H H 1 9.138 . . . . . . . . 320 ILE HN . 19958 1 144 . 2 2 20 20 ILE N N 15 127.259 . . . . . . . . 320 ILE N . 19958 1 145 . 2 2 21 21 GLU H H 1 8.679 . . . . . . . . 321 GLU HN . 19958 1 146 . 2 2 21 21 GLU N N 15 126.042 . . . . . . . . 321 GLU N . 19958 1 147 . 2 2 22 22 ILE H H 1 8.711 . . . . . . . . 322 ILE HN . 19958 1 148 . 2 2 22 22 ILE N N 15 123.696 . . . . . . . . 322 ILE N . 19958 1 149 . 2 2 23 23 ILE H H 1 8.553 . . . . . . . . 323 ILE HN . 19958 1 150 . 2 2 23 23 ILE N N 15 131.649 . . . . . . . . 323 ILE N . 19958 1 151 . 2 2 24 24 ALA H H 1 8.44 . . . . . . . . 324 ALA HN . 19958 1 152 . 2 2 24 24 ALA N N 15 125.196 . . . . . . . . 324 ALA N . 19958 1 153 . 2 2 26 26 LEU H H 1 7.187 . . . . . . . . 326 LEU HN . 19958 1 154 . 2 2 26 26 LEU N N 15 114.372 . . . . . . . . 326 LEU N . 19958 1 155 . 2 2 27 27 SER H H 1 8.388 . . . . . . . . 327 SER HN . 19958 1 156 . 2 2 27 27 SER N N 15 115.424 . . . . . . . . 327 SER N . 19958 1 157 . 2 2 28 28 GLY H H 1 8.253 . . . . . . . . 328 GLY HN . 19958 1 158 . 2 2 28 28 GLY N N 15 109.001 . . . . . . . . 328 GLY N . 19958 1 159 . 2 2 29 29 GLU H H 1 7.822 . . . . . . . . 329 GLU HN . 19958 1 160 . 2 2 29 29 GLU N N 15 122.548 . . . . . . . . 329 GLU N . 19958 1 161 . 2 2 30 30 ILE H H 1 8.474 . . . . . . . . 330 ILE HN . 19958 1 162 . 2 2 30 30 ILE N N 15 125.094 . . . . . . . . 330 ILE N . 19958 1 163 . 2 2 31 31 VAL H H 1 9.25 . . . . . . . . 331 VAL HN . 19958 1 164 . 2 2 31 31 VAL N N 15 128.753 . . . . . . . . 331 VAL N . 19958 1 165 . 2 2 32 32 ASN H H 1 8.354 . . . . . . . . 332 ASN HN . 19958 1 166 . 2 2 32 32 ASN N N 15 121.742 . . . . . . . . 332 ASN N . 19958 1 167 . 2 2 33 33 ILE H H 1 9.219 . . . . . . . . 333 ILE HN . 19958 1 168 . 2 2 33 33 ILE N N 15 126.732 . . . . . . . . 333 ILE N . 19958 1 169 . 2 2 34 34 GLU H H 1 9.031 . . . . . . . . 334 GLU HN . 19958 1 170 . 2 2 34 34 GLU N N 15 117.725 . . . . . . . . 334 GLU N . 19958 1 171 . 2 2 35 35 ASP H H 1 7.61 . . . . . . . . 335 ASP HN . 19958 1 172 . 2 2 35 35 ASP N N 15 116.715 . . . . . . . . 335 ASP N . 19958 1 173 . 2 2 36 36 VAL H H 1 7.447 . . . . . . . . 336 VAL HN . 19958 1 174 . 2 2 36 36 VAL N N 15 120.635 . . . . . . . . 336 VAL N . 19958 1 175 . 2 2 38 38 ASP H H 1 8.026 . . . . . . . . 338 ASP HN . 19958 1 176 . 2 2 38 38 ASP N N 15 121.71 . . . . . . . . 338 ASP N . 19958 1 177 . 2 2 39 39 VAL H H 1 8.576 . . . . . . . . 339 VAL HN . 19958 1 178 . 2 2 39 39 VAL N N 15 126.878 . . . . . . . . 339 VAL N . 19958 1 179 . 2 2 40 40 VAL H H 1 7.901 . . . . . . . . 340 VAL HN . 19958 1 180 . 2 2 40 40 VAL N N 15 118.287 . . . . . . . . 340 VAL N . 19958 1 181 . 2 2 41 41 PHE H H 1 7.248 . . . . . . . . 341 PHE HN . 19958 1 182 . 2 2 41 41 PHE N N 15 115.933 . . . . . . . . 341 PHE N . 19958 1 183 . 2 2 42 42 ALA H H 1 8.54 . . . . . . . . 342 ALA HN . 19958 1 184 . 2 2 42 42 ALA N N 15 121.793 . . . . . . . . 342 ALA N . 19958 1 185 . 2 2 43 43 GLU H H 1 7.994 . . . . . . . . 343 GLU HN . 19958 1 186 . 2 2 43 43 GLU N N 15 111.55 . . . . . . . . 343 GLU N . 19958 1 187 . 2 2 44 44 LYS H H 1 7.943 . . . . . . . . 344 LYS HN . 19958 1 188 . 2 2 44 44 LYS N N 15 114.727 . . . . . . . . 344 LYS N . 19958 1 189 . 2 2 45 45 ILE H H 1 7.549 . . . . . . . . 345 ILE HN . 19958 1 190 . 2 2 45 45 ILE N N 15 118.997 . . . . . . . . 345 ILE N . 19958 1 191 . 2 2 46 46 VAL H H 1 7.258 . . . . . . . . 346 VAL HN . 19958 1 192 . 2 2 46 46 VAL N N 15 112.7 . . . . . . . . 346 VAL N . 19958 1 193 . 2 2 47 47 GLY H H 1 6.717 . . . . . . . . 347 GLY HN . 19958 1 194 . 2 2 47 47 GLY N N 15 106.027 . . . . . . . . 347 GLY N . 19958 1 195 . 2 2 48 48 ASP H H 1 7.331 . . . . . . . . 348 ASP HN . 19958 1 196 . 2 2 48 48 ASP N N 15 116.306 . . . . . . . . 348 ASP N . 19958 1 197 . 2 2 49 49 GLY H H 1 9.034 . . . . . . . . 349 GLY HN . 19958 1 198 . 2 2 49 49 GLY N N 15 108.278 . . . . . . . . 349 GLY N . 19958 1 199 . 2 2 50 50 ILE H H 1 8.196 . . . . . . . . 350 ILE HN . 19958 1 200 . 2 2 50 50 ILE N N 15 113.57 . . . . . . . . 350 ILE N . 19958 1 201 . 2 2 51 51 ALA H H 1 8.145 . . . . . . . . 351 ALA HN . 19958 1 202 . 2 2 51 51 ALA N N 15 119.635 . . . . . . . . 351 ALA N . 19958 1 203 . 2 2 52 52 ILE H H 1 8.048 . . . . . . . . 352 ILE HN . 19958 1 204 . 2 2 52 52 ILE N N 15 119.71 . . . . . . . . 352 ILE N . 19958 1 205 . 2 2 53 53 LYS H H 1 9.217 . . . . . . . . 353 LYS HN . 19958 1 206 . 2 2 53 53 LYS N N 15 130.737 . . . . . . . . 353 LYS N . 19958 1 207 . 2 2 55 55 THR H H 1 7.898 . . . . . . . . 355 THR HN . 19958 1 208 . 2 2 55 55 THR N N 15 108.364 . . . . . . . . 355 THR N . 19958 1 209 . 2 2 56 56 GLY H H 1 8.58 . . . . . . . . 356 GLY HN . 19958 1 210 . 2 2 56 56 GLY N N 15 110.793 . . . . . . . . 356 GLY N . 19958 1 211 . 2 2 58 58 LYS H H 1 6.978 . . . . . . . . 358 LYS HN . 19958 1 212 . 2 2 58 58 LYS N N 15 113.798 . . . . . . . . 358 LYS N . 19958 1 213 . 2 2 59 59 MET H H 1 9.436 . . . . . . . . 359 MET HN . 19958 1 214 . 2 2 59 59 MET N N 15 119.657 . . . . . . . . 359 MET N . 19958 1 215 . 2 2 60 60 VAL H H 1 9.909 . . . . . . . . 360 VAL HN . 19958 1 216 . 2 2 60 60 VAL N N 15 118.192 . . . . . . . . 360 VAL N . 19958 1 217 . 2 2 61 61 ALA H H 1 8.446 . . . . . . . . 361 ALA HN . 19958 1 218 . 2 2 61 61 ALA N N 15 120.896 . . . . . . . . 361 ALA N . 19958 1 219 . 2 2 63 63 VAL H H 1 7.129 . . . . . . . . 363 VAL HN . 19958 1 220 . 2 2 63 63 VAL N N 15 109.899 . . . . . . . . 363 VAL N . 19958 1 221 . 2 2 64 64 ASP H H 1 8.195 . . . . . . . . 364 ASP HN . 19958 1 222 . 2 2 64 64 ASP N N 15 119.821 . . . . . . . . 364 ASP N . 19958 1 223 . 2 2 65 65 GLY H H 1 8.508 . . . . . . . . 365 GLY HN . 19958 1 224 . 2 2 65 65 GLY N N 15 111.133 . . . . . . . . 365 GLY N . 19958 1 225 . 2 2 66 66 THR H H 1 8.24 . . . . . . . . 366 THR HN . 19958 1 226 . 2 2 66 66 THR N N 15 117.299 . . . . . . . . 366 THR N . 19958 1 227 . 2 2 67 67 ILE H H 1 8.729 . . . . . . . . 367 ILE HN . 19958 1 228 . 2 2 67 67 ILE N N 15 127.779 . . . . . . . . 367 ILE N . 19958 1 229 . 2 2 68 68 GLY H H 1 8.65 . . . . . . . . 368 GLY HN . 19958 1 230 . 2 2 68 68 GLY N N 15 119.816 . . . . . . . . 368 GLY N . 19958 1 231 . 2 2 69 69 LYS H H 1 7.713 . . . . . . . . 369 LYS HN . 19958 1 232 . 2 2 69 69 LYS N N 15 122.062 . . . . . . . . 369 LYS N . 19958 1 233 . 2 2 70 70 ILE H H 1 9.317 . . . . . . . . 370 ILE HN . 19958 1 234 . 2 2 70 70 ILE N N 15 124.486 . . . . . . . . 370 ILE N . 19958 1 235 . 2 2 71 71 PHE H H 1 8.11 . . . . . . . . 371 PHE HN . 19958 1 236 . 2 2 71 71 PHE N N 15 126.768 . . . . . . . . 371 PHE N . 19958 1 237 . 2 2 72 72 GLU H H 1 9.307 . . . . . . . . 372 GLU HN . 19958 1 238 . 2 2 72 72 GLU N N 15 122.784 . . . . . . . . 372 GLU N . 19958 1 239 . 2 2 73 73 THR H H 1 7.35 . . . . . . . . 373 THR HN . 19958 1 240 . 2 2 73 73 THR N N 15 130.519 . . . . . . . . 373 THR N . 19958 1 241 . 2 2 74 74 ASN H H 1 8.391 . . . . . . . . 374 ASN HN . 19958 1 242 . 2 2 74 74 ASN N N 15 112.724 . . . . . . . . 374 ASN N . 19958 1 243 . 2 2 75 75 HIS H H 1 6.831 . . . . . . . . 375 HIS HN . 19958 1 244 . 2 2 75 75 HIS N N 15 106.933 . . . . . . . . 375 HIS N . 19958 1 245 . 2 2 77 77 PHE H H 1 8.46 . . . . . . . . 377 PHE HN . 19958 1 246 . 2 2 77 77 PHE N N 15 114.684 . . . . . . . . 377 PHE N . 19958 1 247 . 2 2 78 78 SER H H 1 9.239 . . . . . . . . 378 SER HN . 19958 1 248 . 2 2 78 78 SER N N 15 114.733 . . . . . . . . 378 SER N . 19958 1 249 . 2 2 79 79 ILE H H 1 8.964 . . . . . . . . 379 ILE HN . 19958 1 250 . 2 2 79 79 ILE N N 15 120.46 . . . . . . . . 379 ILE N . 19958 1 251 . 2 2 80 80 GLU H H 1 8.319 . . . . . . . . 380 GLU HN . 19958 1 252 . 2 2 80 80 GLU N N 15 126.91 . . . . . . . . 380 GLU N . 19958 1 253 . 2 2 81 81 SER H H 1 9.547 . . . . . . . . 381 SER HN . 19958 1 254 . 2 2 81 81 SER N N 15 123.778 . . . . . . . . 381 SER N . 19958 1 255 . 2 2 82 82 ASP H H 1 8.717 . . . . . . . . 382 ASP HN . 19958 1 256 . 2 2 82 82 ASP N N 15 125.429 . . . . . . . . 382 ASP N . 19958 1 257 . 2 2 84 84 GLY H H 1 7.85 . . . . . . . . 384 GLY HN . 19958 1 258 . 2 2 84 84 GLY N N 15 110.278 . . . . . . . . 384 GLY N . 19958 1 259 . 2 2 85 85 VAL H H 1 8.028 . . . . . . . . 385 VAL HN . 19958 1 260 . 2 2 85 85 VAL N N 15 120.219 . . . . . . . . 385 VAL N . 19958 1 261 . 2 2 86 86 GLU H H 1 8.922 . . . . . . . . 386 GLU HN . 19958 1 262 . 2 2 86 86 GLU N N 15 129.626 . . . . . . . . 386 GLU N . 19958 1 263 . 2 2 87 87 LEU H H 1 8.93 . . . . . . . . 387 LEU HN . 19958 1 264 . 2 2 87 87 LEU N N 15 123.953 . . . . . . . . 387 LEU N . 19958 1 265 . 2 2 88 88 PHE H H 1 9.168 . . . . . . . . 388 PHE HN . 19958 1 266 . 2 2 88 88 PHE N N 15 122.664 . . . . . . . . 388 PHE N . 19958 1 267 . 2 2 89 89 VAL H H 1 7.935 . . . . . . . . 389 VAL HN . 19958 1 268 . 2 2 89 89 VAL N N 15 126.447 . . . . . . . . 389 VAL N . 19958 1 269 . 2 2 90 90 HIS H H 1 7.469 . . . . . . . . 390 HIS HN . 19958 1 270 . 2 2 90 90 HIS N N 15 126.52 . . . . . . . . 390 HIS N . 19958 1 271 . 2 2 91 91 PHE H H 1 8.856 . . . . . . . . 391 PHE HN . 19958 1 272 . 2 2 91 91 PHE N N 15 126.876 . . . . . . . . 391 PHE N . 19958 1 273 . 2 2 92 92 GLY H H 1 6.956 . . . . . . . . 392 GLY HN . 19958 1 274 . 2 2 92 92 GLY N N 15 120.327 . . . . . . . . 392 GLY N . 19958 1 275 . 2 2 93 93 ILE H H 1 6.875 . . . . . . . . 393 ILE HN . 19958 1 276 . 2 2 93 93 ILE N N 15 111.868 . . . . . . . . 393 ILE N . 19958 1 277 . 2 2 94 94 ASP H H 1 9.524 . . . . . . . . 394 ASP HN . 19958 1 278 . 2 2 94 94 ASP N N 15 122.909 . . . . . . . . 394 ASP N . 19958 1 279 . 2 2 95 95 THR H H 1 7.881 . . . . . . . . 395 THR HN . 19958 1 280 . 2 2 95 95 THR N N 15 109.062 . . . . . . . . 395 THR N . 19958 1 281 . 2 2 96 96 VAL H H 1 8.293 . . . . . . . . 396 VAL HN . 19958 1 282 . 2 2 96 96 VAL N N 15 123.956 . . . . . . . . 396 VAL N . 19958 1 283 . 2 2 97 97 GLU H H 1 7.702 . . . . . . . . 397 GLU HN . 19958 1 284 . 2 2 97 97 GLU N N 15 120.059 . . . . . . . . 397 GLU N . 19958 1 285 . 2 2 98 98 LEU H H 1 7.536 . . . . . . . . 398 LEU HN . 19958 1 286 . 2 2 98 98 LEU N N 15 117.616 . . . . . . . . 398 LEU N . 19958 1 287 . 2 2 99 99 LYS H H 1 8.142 . . . . . . . . 399 LYS HN . 19958 1 288 . 2 2 99 99 LYS N N 15 114.858 . . . . . . . . 399 LYS N . 19958 1 289 . 2 2 100 100 GLY H H 1 8.966 . . . . . . . . 400 GLY HN . 19958 1 290 . 2 2 100 100 GLY N N 15 106.765 . . . . . . . . 400 GLY N . 19958 1 291 . 2 2 101 101 GLU H H 1 7.598 . . . . . . . . 401 GLU HN . 19958 1 292 . 2 2 101 101 GLU N N 15 124.704 . . . . . . . . 401 GLU N . 19958 1 293 . 2 2 102 102 GLY H H 1 8.12 . . . . . . . . 402 GLY HN . 19958 1 294 . 2 2 102 102 GLY N N 15 108.007 . . . . . . . . 402 GLY N . 19958 1 295 . 2 2 103 103 PHE H H 1 7.511 . . . . . . . . 403 PHE HN . 19958 1 296 . 2 2 103 103 PHE N N 15 115.554 . . . . . . . . 403 PHE N . 19958 1 297 . 2 2 104 104 LYS H H 1 9.048 . . . . . . . . 404 LYS HN . 19958 1 298 . 2 2 104 104 LYS N N 15 121.841 . . . . . . . . 404 LYS N . 19958 1 299 . 2 2 105 105 ARG H H 1 8.964 . . . . . . . . 405 ARG HN . 19958 1 300 . 2 2 105 105 ARG N N 15 127.454 . . . . . . . . 405 ARG N . 19958 1 301 . 2 2 106 106 ILE H H 1 8.245 . . . . . . . . 406 ILE HN . 19958 1 302 . 2 2 106 106 ILE N N 15 127.973 . . . . . . . . 406 ILE N . 19958 1 303 . 2 2 107 107 ALA H H 1 7.459 . . . . . . . . 407 ALA HN . 19958 1 304 . 2 2 107 107 ALA N N 15 121.815 . . . . . . . . 407 ALA N . 19958 1 305 . 2 2 108 108 GLU H H 1 7.52 . . . . . . . . 408 GLU HN . 19958 1 306 . 2 2 108 108 GLU N N 15 113.475 . . . . . . . . 408 GLU N . 19958 1 307 . 2 2 109 109 GLU H H 1 8.591 . . . . . . . . 409 GLU HN . 19958 1 308 . 2 2 109 109 GLU N N 15 120.449 . . . . . . . . 409 GLU N . 19958 1 309 . 2 2 110 110 GLY H H 1 8.248 . . . . . . . . 410 GLY HN . 19958 1 310 . 2 2 110 110 GLY N N 15 112.736 . . . . . . . . 410 GLY N . 19958 1 311 . 2 2 111 111 GLN H H 1 7.547 . . . . . . . . 411 GLN HN . 19958 1 312 . 2 2 111 111 GLN N N 15 120.541 . . . . . . . . 411 GLN N . 19958 1 313 . 2 2 112 112 ARG H H 1 8.546 . . . . . . . . 412 ARG HN . 19958 1 314 . 2 2 112 112 ARG N N 15 125.725 . . . . . . . . 412 ARG N . 19958 1 315 . 2 2 113 113 VAL H H 1 9.08 . . . . . . . . 413 VAL HN . 19958 1 316 . 2 2 113 113 VAL N N 15 118.348 . . . . . . . . 413 VAL N . 19958 1 317 . 2 2 114 114 LYS H H 1 8.631 . . . . . . . . 414 LYS HN . 19958 1 318 . 2 2 114 114 LYS N N 15 123.012 . . . . . . . . 414 LYS N . 19958 1 319 . 2 2 115 115 VAL H H 1 8.188 . . . . . . . . 415 VAL HN . 19958 1 320 . 2 2 115 115 VAL N N 15 118.68 . . . . . . . . 415 VAL N . 19958 1 321 . 2 2 116 116 GLY H H 1 8.653 . . . . . . . . 416 GLY HN . 19958 1 322 . 2 2 116 116 GLY N N 15 112.849 . . . . . . . . 416 GLY N . 19958 1 323 . 2 2 117 117 ASP H H 1 8.405 . . . . . . . . 417 ASP HN . 19958 1 324 . 2 2 117 117 ASP N N 15 123.234 . . . . . . . . 417 ASP N . 19958 1 325 . 2 2 118 118 THR H H 1 8.735 . . . . . . . . 418 THR HN . 19958 1 326 . 2 2 118 118 THR N N 15 119.602 . . . . . . . . 418 THR N . 19958 1 327 . 2 2 119 119 VAL H H 1 8.969 . . . . . . . . 419 VAL HN . 19958 1 328 . 2 2 119 119 VAL N N 15 124.761 . . . . . . . . 419 VAL N . 19958 1 329 . 2 2 120 120 ILE H H 1 7.613 . . . . . . . . 420 ILE HN . 19958 1 330 . 2 2 120 120 ILE N N 15 120.619 . . . . . . . . 420 ILE N . 19958 1 331 . 2 2 121 121 GLU H H 1 9.043 . . . . . . . . 421 GLU HN . 19958 1 332 . 2 2 121 121 GLU N N 15 125.883 . . . . . . . . 421 GLU N . 19958 1 333 . 2 2 122 122 PHE H H 1 7.71 . . . . . . . . 422 PHE HN . 19958 1 334 . 2 2 122 122 PHE N N 15 117.192 . . . . . . . . 422 PHE N . 19958 1 335 . 2 2 123 123 ASP H H 1 8.057 . . . . . . . . 423 ASP HN . 19958 1 336 . 2 2 123 123 ASP N N 15 121.946 . . . . . . . . 423 ASP N . 19958 1 337 . 2 2 124 124 LEU H H 1 8.761 . . . . . . . . 424 LEU HN . 19958 1 338 . 2 2 124 124 LEU N N 15 124.614 . . . . . . . . 424 LEU N . 19958 1 339 . 2 2 126 126 LEU H H 1 6.857 . . . . . . . . 426 LEU HN . 19958 1 340 . 2 2 126 126 LEU N N 15 118.258 . . . . . . . . 426 LEU N . 19958 1 341 . 2 2 127 127 LEU H H 1 7.959 . . . . . . . . 427 LEU HN . 19958 1 342 . 2 2 127 127 LEU N N 15 121.229 . . . . . . . . 427 LEU N . 19958 1 343 . 2 2 128 128 GLU H H 1 9.241 . . . . . . . . 428 GLU HN . 19958 1 344 . 2 2 128 128 GLU N N 15 118.062 . . . . . . . . 428 GLU N . 19958 1 345 . 2 2 129 129 GLU H H 1 7.183 . . . . . . . . 429 GLU HN . 19958 1 346 . 2 2 129 129 GLU N N 15 116.564 . . . . . . . . 429 GLU N . 19958 1 347 . 2 2 130 130 LYS H H 1 7.914 . . . . . . . . 430 LYS HN . 19958 1 348 . 2 2 130 130 LYS N N 15 115.338 . . . . . . . . 430 LYS N . 19958 1 349 . 2 2 131 131 ALA H H 1 8.823 . . . . . . . . 431 ALA HN . 19958 1 350 . 2 2 131 131 ALA N N 15 121.345 . . . . . . . . 431 ALA N . 19958 1 351 . 2 2 132 132 LYS H H 1 9.673 . . . . . . . . 432 LYS HN . 19958 1 352 . 2 2 132 132 LYS N N 15 124.68 . . . . . . . . 432 LYS N . 19958 1 353 . 2 2 133 133 SER H H 1 6.941 . . . . . . . . 433 SER HN . 19958 1 354 . 2 2 133 133 SER N N 15 105.755 . . . . . . . . 433 SER N . 19958 1 355 . 2 2 134 134 THR H H 1 8.215 . . . . . . . . 434 THR HN . 19958 1 356 . 2 2 134 134 THR N N 15 114.214 . . . . . . . . 434 THR N . 19958 1 357 . 2 2 135 135 LEU H H 1 7.846 . . . . . . . . 435 LEU HN . 19958 1 358 . 2 2 135 135 LEU N N 15 121.77 . . . . . . . . 435 LEU N . 19958 1 359 . 2 2 136 136 THR H H 1 8.121 . . . . . . . . 436 THR HN . 19958 1 360 . 2 2 136 136 THR N N 15 116.807 . . . . . . . . 436 THR N . 19958 1 361 . 2 2 138 138 VAL H H 1 8.693 . . . . . . . . 438 VAL HN . 19958 1 362 . 2 2 138 138 VAL N N 15 124.553 . . . . . . . . 438 VAL N . 19958 1 363 . 2 2 140 140 ILE H H 1 8.897 . . . . . . . . 440 ILE HN . 19958 1 364 . 2 2 140 140 ILE N N 15 124.701 . . . . . . . . 440 ILE N . 19958 1 365 . 2 2 141 141 SER H H 1 8.711 . . . . . . . . 441 SER HN . 19958 1 366 . 2 2 141 141 SER N N 15 119.917 . . . . . . . . 441 SER N . 19958 1 367 . 2 2 142 142 ASN H H 1 8.399 . . . . . . . . 442 ASN HN . 19958 1 368 . 2 2 142 142 ASN N N 15 120.891 . . . . . . . . 442 ASN N . 19958 1 369 . 2 2 143 143 MET H H 1 7.704 . . . . . . . . 443 MET HN . 19958 1 370 . 2 2 143 143 MET N N 15 117.75 . . . . . . . . 443 MET N . 19958 1 371 . 2 2 144 144 ASP H H 1 8.645 . . . . . . . . 444 ASP HN . 19958 1 372 . 2 2 144 144 ASP N N 15 117.82 . . . . . . . . 444 ASP N . 19958 1 373 . 2 2 145 145 GLU H H 1 7.881 . . . . . . . . 445 GLU HN . 19958 1 374 . 2 2 145 145 GLU N N 15 116.265 . . . . . . . . 445 GLU N . 19958 1 375 . 2 2 146 146 ILE H H 1 7.37 . . . . . . . . 446 ILE HN . 19958 1 376 . 2 2 146 146 ILE N N 15 117.083 . . . . . . . . 446 ILE N . 19958 1 377 . 2 2 147 147 LYS H H 1 8.556 . . . . . . . . 447 LYS HN . 19958 1 378 . 2 2 147 147 LYS N N 15 123.531 . . . . . . . . 447 LYS N . 19958 1 379 . 2 2 148 148 GLU H H 1 7.799 . . . . . . . . 448 GLU HN . 19958 1 380 . 2 2 148 148 GLU N N 15 117.608 . . . . . . . . 448 GLU N . 19958 1 381 . 2 2 149 149 LEU H H 1 8.513 . . . . . . . . 449 LEU HN . 19958 1 382 . 2 2 149 149 LEU N N 15 126.051 . . . . . . . . 449 LEU N . 19958 1 383 . 2 2 150 150 ILE H H 1 9.206 . . . . . . . . 450 ILE HN . 19958 1 384 . 2 2 150 150 ILE N N 15 128.153 . . . . . . . . 450 ILE N . 19958 1 385 . 2 2 151 151 LYS H H 1 8.632 . . . . . . . . 451 LYS HN . 19958 1 386 . 2 2 151 151 LYS N N 15 127.638 . . . . . . . . 451 LYS N . 19958 1 387 . 2 2 152 152 LEU H H 1 7.519 . . . . . . . . 452 LEU HN . 19958 1 388 . 2 2 152 152 LEU N N 15 124.025 . . . . . . . . 452 LEU N . 19958 1 389 . 2 2 153 153 SER H H 1 7.479 . . . . . . . . 453 SER HN . 19958 1 390 . 2 2 153 153 SER N N 15 108.868 . . . . . . . . 453 SER N . 19958 1 391 . 2 2 155 155 SER H H 1 8.225 . . . . . . . . 455 SER HN . 19958 1 392 . 2 2 155 155 SER N N 15 115.194 . . . . . . . . 455 SER N . 19958 1 393 . 2 2 156 156 VAL H H 1 9.211 . . . . . . . . 456 VAL HN . 19958 1 394 . 2 2 156 156 VAL N N 15 116.536 . . . . . . . . 456 VAL N . 19958 1 395 . 2 2 157 157 THR H H 1 9.104 . . . . . . . . 457 THR HN . 19958 1 396 . 2 2 157 157 THR N N 15 120.981 . . . . . . . . 457 THR N . 19958 1 397 . 2 2 158 158 VAL H H 1 8.815 . . . . . . . . 458 VAL HN . 19958 1 398 . 2 2 158 158 VAL N N 15 129.552 . . . . . . . . 458 VAL N . 19958 1 399 . 2 2 159 159 GLY H H 1 8.69 . . . . . . . . 459 GLY HN . 19958 1 400 . 2 2 159 159 GLY N N 15 112.017 . . . . . . . . 459 GLY N . 19958 1 401 . 2 2 160 160 GLU H H 1 7.838 . . . . . . . . 460 GLU HN . 19958 1 402 . 2 2 160 160 GLU N N 15 118.114 . . . . . . . . 460 GLU N . 19958 1 403 . 2 2 161 161 THR H H 1 7.69 . . . . . . . . 461 THR HN . 19958 1 404 . 2 2 161 161 THR N N 15 116.755 . . . . . . . . 461 THR N . 19958 1 405 . 2 2 163 163 VAL H H 1 8.899 . . . . . . . . 463 VAL HN . 19958 1 406 . 2 2 163 163 VAL N N 15 109.723 . . . . . . . . 463 VAL N . 19958 1 407 . 2 2 164 164 ILE H H 1 7.156 . . . . . . . . 464 ILE HN . 19958 1 408 . 2 2 164 164 ILE N N 15 118.904 . . . . . . . . 464 ILE N . 19958 1 409 . 2 2 165 165 ARG H H 1 9.159 . . . . . . . . 465 ARG HN . 19958 1 410 . 2 2 165 165 ARG N N 15 125.366 . . . . . . . . 465 ARG N . 19958 1 411 . 2 2 166 166 ILE H H 1 9.173 . . . . . . . . 466 ILE HN . 19958 1 412 . 2 2 166 166 ILE N N 15 122.961 . . . . . . . . 466 ILE N . 19958 1 413 . 2 2 167 167 LYS H H 1 8.451 . . . . . . . . 467 LYS HN . 19958 1 414 . 2 2 167 167 LYS N N 15 123.563 . . . . . . . . 467 LYS N . 19958 1 415 . 2 2 168 168 LYS H H 1 8.443 . . . . . . . . 468 LYS HN . 19958 1 416 . 2 2 168 168 LYS N N 15 129.528 . . . . . . . . 468 LYS N . 19958 1 stop_ save_