data_2371 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2371 _Entry.Title ; Three-Dimensional 15N-1H-1H and 15N-13C-1H nuclear-magnetic resonance studies of HPr a central component of the phosphoenolpyruvate-dependent phosphotransferase system from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Nico 'van Nuland' . A.J. . 2371 2 Alard 'van Dijk' . A. . 2371 3 Klaas Dijkstra . . . 2371 4 Frans 'van Hoesel' . H.J. . 2371 5 Ruud Scheek . M. . 2371 6 G. Robillard . T. . 2371 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2371 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 85 2371 '15N chemical shifts' 82 2371 '1H chemical shifts' 173 2371 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 5 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2371 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2371 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 2371 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2371 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2371 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2371 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; van Nuland, Nico A.J., van Dijk, Alard A., Dijkstra, Klaas, van Hoesel, Frans H.J., Scheek, Ruud M., Robillard, G.T., "Three-Dimensional 15N-1H-1H and 15N-13C-1H nuclear-magnetic resonance studies of HPr a central component of the phosphoenolpyruvate-dependent phosphotransferase system from Escherichia coli," Eur. J. Biochem. 203, 483-491 (1992). ; _Citation.Title ; Three-Dimensional 15N-1H-1H and 15N-13C-1H nuclear-magnetic resonance studies of HPr a central component of the phosphoenolpyruvate-dependent phosphotransferase system from Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 203 _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 483 _Citation.Page_last 491 _Citation.Year 1992 _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 Nico 'van Nuland' . A.J. . 2371 1 2 Alard 'van Dijk' . A. . 2371 1 3 Klaas Dijkstra . . . 2371 1 4 Frans 'van Hoesel' . H.J. . 2371 1 5 Ruud Scheek . M. . 2371 1 6 G. Robillard . T. . 2371 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_phosphocarrier_protein_HPr _Assembly.Sf_category assembly _Assembly.Sf_framecode system_phosphocarrier_protein_HPr _Assembly.Entry_ID 2371 _Assembly.ID 1 _Assembly.Name 'phosphocarrier protein HPr' _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'phosphocarrier protein HPr' 1 $phosphocarrier_protein_HPr . . . . . . . . . 2371 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'phosphocarrier protein HPr' system 2371 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphocarrier_protein_HPr _Entity.Sf_category entity _Entity.Sf_framecode phosphocarrier_protein_HPr _Entity.Entry_ID 2371 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'phosphocarrier protein HPr' _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 ; MFQQEVTITAPNGLHTRPAA QFVKEAKGFTSEITVTSNGK SASAKSLFKLQTLGLTQGTV VTISAEGEDEQKAVEHLVKL MAELE ; _Entity.Polymer_seq_one_letter_code ; MFQQEVTITAPNGLHTRPAA QFVKEAKGFTSEITVTSNGK SASAKSLFKLQTLGLTQGTV VTISAEGEDEQKAVEHLVKL MAELE ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 2060 . "phosphocarrier protein HPr" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 2 no BMRB 29 . "phosphocarrier protein HPr" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 3 no PDB 1CM2 . "Structure Of His15asp Hpr After Hydrolysis Of Ringed Species." . . . . . 100.00 85 98.82 98.82 1.36e-50 . . . . 2371 1 4 no PDB 1CM3 . "His15asp Hpr From E. Coli" . . . . . 100.00 85 98.82 98.82 1.36e-50 . . . . 2371 1 5 no PDB 1GGR . "Complex Of Enzyme Iiaglc And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 6 no PDB 1HDN . "The High-Resolution Structure Of The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Determined By Restra" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 7 no PDB 1J6T . "Complex Of Enzyme Iiamtl And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 8 no PDB 1OPD . "Histidine-Containing Protein (Hpr), Mutant With Ser 46 Replaced By Asp (S46d)" . . . . . 100.00 85 97.65 98.82 1.43e-50 . . . . 2371 1 9 no PDB 1PFH . "The Phosphorylated Form Of The Histidine-Containing Phosphocarrier Protein Hpr" . . . . . 100.00 85 98.82 98.82 1.86e-50 . . . . 2371 1 10 no PDB 1POH . "The 2.0 Angstroms Resolution Structure Of Escherichia Coli Histidine-containing Phosphocarrier Protein Hpr: A Redetermination" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 11 no PDB 1VRC . "Complex Of Enzyme Iiamannose And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regu" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 12 no PDB 2JEL . "Jel42 FabHPR COMPLEX" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 13 no PDB 2LRK . "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 14 no PDB 2LRL . "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose Branch Of The Escherichia Coli Phosphotr" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 15 no PDB 2XDF . "Solution Structure Of The Enzyme I Dimer Complexed With Hpr Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 16 no PDB 3CCD . "1.0 A Structure Of Post-Succinimide His15asp Hpr" . . . . . 100.00 85 97.65 98.82 5.54e-50 . . . . 2371 1 17 no PDB 3EZA . "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 18 no PDB 3EZB . "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 19 no PDB 3EZE . "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 20 no PDB 4XWJ . "Histidine-containing Phosphocarrier Protein (hpr) And Antisigma Factor Rsd Complex" . . . . . 100.00 85 98.82 98.82 1.53e-50 . . . . 2371 1 21 no DBJ BAA16289 . "phosphohistidinoprotein-hexose phosphotransferase component of PTS system (Hpr) [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 22 no DBJ BAB36710 . "PTS system protein HPr [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 23 no DBJ BAB92987 . "HPr of PTS system [Serratia marcescens]" . . . . . 100.00 85 98.82 100.00 1.89e-51 . . . . 2371 1 24 no DBJ BAG78230 . "phosphocarrier protein HPr [Escherichia coli SE11]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 25 no DBJ BAH64556 . "PTS family phosphohistidinoprotein-hexose phosphotransferase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 85 98.82 100.00 2.16e-51 . . . . 2371 1 26 no EMBL CAA32865 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 27 no EMBL CAA35818 . "unnamed protein product [Klebsiella pneumoniae]" . . . . . 100.00 85 98.82 100.00 2.16e-51 . . . . 2371 1 28 no EMBL CAD07663 . "phosphocarrier protein HPr [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 29 no EMBL CAG73805 . "PTS system phosphocarrier protein [Pectobacterium atrosepticum SCRI1043]" . . . . . 100.00 85 97.65 100.00 6.41e-51 . . . . 2371 1 30 no EMBL CAH21953 . "PTS system, phosphocarrier protein [Yersinia pseudotuberculosis IP 32953]" . . . . . 100.00 85 97.65 100.00 9.91e-51 . . . . 2371 1 31 no GB AAA23655 . "ptsH protein [Escherichia coli]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 32 no GB AAA24384 . "HPr protein (EC 2.7.1.68) [Escherichia coli]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 33 no GB AAA24438 . "histidine-containing protein [Escherichia coli]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 34 no GB AAA24440 . "HPr [Escherichia coli]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 35 no GB AAA27052 . "ptsH protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 36 no PIR AE0810 . "phosphocarrier protein HPr [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 37 no PRF 1107231B . "protein,His containing" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 38 no REF NP_311314 . "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 39 no REF NP_416910 . "phosphohistidinoprotein-hexose phosphotransferase component of PTS system (Hpr) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 40 no REF NP_456968 . "phosphocarrier protein HPr [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 41 no REF NP_461366 . "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Salmonella enterica subsp. enterica serovar Typhimurium str. " . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 42 no REF NP_708270 . "PTS system phosphohistidinoprotein-hexose phosphotransferase subunit Hpr [Shigella flexneri 2a str. 301]" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 43 no SP P0AA04 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 44 no SP P0AA05 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 45 no SP P0AA06 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 46 no SP P0AA07 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Salmonella enterica subsp. enterica serov" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 47 no SP P0AA08 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" . . . . . 100.00 85 100.00 100.00 7.42e-52 . . . . 2371 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'phosphocarrier protein HPr' common 2371 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 . 2371 1 2 . PHE . 2371 1 3 . GLN . 2371 1 4 . GLN . 2371 1 5 . GLU . 2371 1 6 . VAL . 2371 1 7 . THR . 2371 1 8 . ILE . 2371 1 9 . THR . 2371 1 10 . ALA . 2371 1 11 . PRO . 2371 1 12 . ASN . 2371 1 13 . GLY . 2371 1 14 . LEU . 2371 1 15 . HIS . 2371 1 16 . THR . 2371 1 17 . ARG . 2371 1 18 . PRO . 2371 1 19 . ALA . 2371 1 20 . ALA . 2371 1 21 . GLN . 2371 1 22 . PHE . 2371 1 23 . VAL . 2371 1 24 . LYS . 2371 1 25 . GLU . 2371 1 26 . ALA . 2371 1 27 . LYS . 2371 1 28 . GLY . 2371 1 29 . PHE . 2371 1 30 . THR . 2371 1 31 . SER . 2371 1 32 . GLU . 2371 1 33 . ILE . 2371 1 34 . THR . 2371 1 35 . VAL . 2371 1 36 . THR . 2371 1 37 . SER . 2371 1 38 . ASN . 2371 1 39 . GLY . 2371 1 40 . LYS . 2371 1 41 . SER . 2371 1 42 . ALA . 2371 1 43 . SER . 2371 1 44 . ALA . 2371 1 45 . LYS . 2371 1 46 . SER . 2371 1 47 . LEU . 2371 1 48 . PHE . 2371 1 49 . LYS . 2371 1 50 . LEU . 2371 1 51 . GLN . 2371 1 52 . THR . 2371 1 53 . LEU . 2371 1 54 . GLY . 2371 1 55 . LEU . 2371 1 56 . THR . 2371 1 57 . GLN . 2371 1 58 . GLY . 2371 1 59 . THR . 2371 1 60 . VAL . 2371 1 61 . VAL . 2371 1 62 . THR . 2371 1 63 . ILE . 2371 1 64 . SER . 2371 1 65 . ALA . 2371 1 66 . GLU . 2371 1 67 . GLY . 2371 1 68 . GLU . 2371 1 69 . ASP . 2371 1 70 . GLU . 2371 1 71 . GLN . 2371 1 72 . LYS . 2371 1 73 . ALA . 2371 1 74 . VAL . 2371 1 75 . GLU . 2371 1 76 . HIS . 2371 1 77 . LEU . 2371 1 78 . VAL . 2371 1 79 . LYS . 2371 1 80 . LEU . 2371 1 81 . MET . 2371 1 82 . ALA . 2371 1 83 . GLU . 2371 1 84 . LEU . 2371 1 85 . GLU . 2371 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 2371 1 . PHE 2 2 2371 1 . GLN 3 3 2371 1 . GLN 4 4 2371 1 . GLU 5 5 2371 1 . VAL 6 6 2371 1 . THR 7 7 2371 1 . ILE 8 8 2371 1 . THR 9 9 2371 1 . ALA 10 10 2371 1 . PRO 11 11 2371 1 . ASN 12 12 2371 1 . GLY 13 13 2371 1 . LEU 14 14 2371 1 . HIS 15 15 2371 1 . THR 16 16 2371 1 . ARG 17 17 2371 1 . PRO 18 18 2371 1 . ALA 19 19 2371 1 . ALA 20 20 2371 1 . GLN 21 21 2371 1 . PHE 22 22 2371 1 . VAL 23 23 2371 1 . LYS 24 24 2371 1 . GLU 25 25 2371 1 . ALA 26 26 2371 1 . LYS 27 27 2371 1 . GLY 28 28 2371 1 . PHE 29 29 2371 1 . THR 30 30 2371 1 . SER 31 31 2371 1 . GLU 32 32 2371 1 . ILE 33 33 2371 1 . THR 34 34 2371 1 . VAL 35 35 2371 1 . THR 36 36 2371 1 . SER 37 37 2371 1 . ASN 38 38 2371 1 . GLY 39 39 2371 1 . LYS 40 40 2371 1 . SER 41 41 2371 1 . ALA 42 42 2371 1 . SER 43 43 2371 1 . ALA 44 44 2371 1 . LYS 45 45 2371 1 . SER 46 46 2371 1 . LEU 47 47 2371 1 . PHE 48 48 2371 1 . LYS 49 49 2371 1 . LEU 50 50 2371 1 . GLN 51 51 2371 1 . THR 52 52 2371 1 . LEU 53 53 2371 1 . GLY 54 54 2371 1 . LEU 55 55 2371 1 . THR 56 56 2371 1 . GLN 57 57 2371 1 . GLY 58 58 2371 1 . THR 59 59 2371 1 . VAL 60 60 2371 1 . VAL 61 61 2371 1 . THR 62 62 2371 1 . ILE 63 63 2371 1 . SER 64 64 2371 1 . ALA 65 65 2371 1 . GLU 66 66 2371 1 . GLY 67 67 2371 1 . GLU 68 68 2371 1 . ASP 69 69 2371 1 . GLU 70 70 2371 1 . GLN 71 71 2371 1 . LYS 72 72 2371 1 . ALA 73 73 2371 1 . VAL 74 74 2371 1 . GLU 75 75 2371 1 . HIS 76 76 2371 1 . LEU 77 77 2371 1 . VAL 78 78 2371 1 . LYS 79 79 2371 1 . LEU 80 80 2371 1 . MET 81 81 2371 1 . ALA 82 82 2371 1 . GLU 83 83 2371 1 . LEU 84 84 2371 1 . GLU 85 85 2371 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 2371 _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 $phosphocarrier_protein_HPr . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli HB2154 . . . . . . . . . . . . . . . . . . . . 2371 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 2371 _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 $phosphocarrier_protein_HPr . 'not available' 'Escherichia coli' . . . Escherichia coli HB2154 . . . . . . . . . . . . . . . . . . . . . . 2371 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2371 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2371 _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 6.5 . na 2371 1 temperature 303 . K 2371 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2371 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 2371 _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 unknown unknown . 0 'spectrometer information not available' . . 2371 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 2371 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2371 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2371 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C . TSP . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2371 1 H . DSS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2371 1 N . 'liquid ammonia' . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2371 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_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2371 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_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 $sample_one . 2371 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.7 . . 1 . . . . . . . . 2371 1 2 . 1 1 1 1 MET HA H 1 4.6 . . 1 . . . . . . . . 2371 1 3 . 1 1 2 2 PHE H H 1 8.99 . . 1 . . . . . . . . 2371 1 4 . 1 1 2 2 PHE CA C 13 57.2 . . 1 . . . . . . . . 2371 1 5 . 1 1 2 2 PHE HA H 1 4.8 . . 1 . . . . . . . . 2371 1 6 . 1 1 2 2 PHE N N 15 131.5 . . 1 . . . . . . . . 2371 1 7 . 1 1 3 3 GLN H H 1 7.73 . . 1 . . . . . . . . 2371 1 8 . 1 1 3 3 GLN CA C 13 53.6 . . 1 . . . . . . . . 2371 1 9 . 1 1 3 3 GLN HA H 1 5.73 . . 1 . . . . . . . . 2371 1 10 . 1 1 3 3 GLN N N 15 125.5 . . 1 . . . . . . . . 2371 1 11 . 1 1 4 4 GLN H H 1 8.57 . . 1 . . . . . . . . 2371 1 12 . 1 1 4 4 GLN CA C 13 55.4 . . 1 . . . . . . . . 2371 1 13 . 1 1 4 4 GLN HA H 1 4.4 . . 1 . . . . . . . . 2371 1 14 . 1 1 4 4 GLN N N 15 121.9 . . 1 . . . . . . . . 2371 1 15 . 1 1 5 5 GLU H H 1 8.33 . . 1 . . . . . . . . 2371 1 16 . 1 1 5 5 GLU CA C 13 54.7 . . 1 . . . . . . . . 2371 1 17 . 1 1 5 5 GLU HA H 1 5.44 . . 1 . . . . . . . . 2371 1 18 . 1 1 5 5 GLU N N 15 124.9 . . 1 . . . . . . . . 2371 1 19 . 1 1 6 6 VAL H H 1 9.27 . . 1 . . . . . . . . 2371 1 20 . 1 1 6 6 VAL CA C 13 60.2 . . 1 . . . . . . . . 2371 1 21 . 1 1 6 6 VAL HA H 1 4.54 . . 1 . . . . . . . . 2371 1 22 . 1 1 6 6 VAL N N 15 123.4 . . 1 . . . . . . . . 2371 1 23 . 1 1 7 7 THR H H 1 8.23 . . 1 . . . . . . . . 2371 1 24 . 1 1 7 7 THR CA C 13 61.8 . . 1 . . . . . . . . 2371 1 25 . 1 1 7 7 THR HA H 1 4.87 . . 1 . . . . . . . . 2371 1 26 . 1 1 7 7 THR N N 15 124.8 . . 1 . . . . . . . . 2371 1 27 . 1 1 8 8 ILE H H 1 8.72 . . 1 . . . . . . . . 2371 1 28 . 1 1 8 8 ILE CA C 13 61.7 . . 1 . . . . . . . . 2371 1 29 . 1 1 8 8 ILE HA H 1 3.95 . . 1 . . . . . . . . 2371 1 30 . 1 1 8 8 ILE N N 15 128.9 . . 1 . . . . . . . . 2371 1 31 . 1 1 9 9 THR H H 1 8.66 . . 1 . . . . . . . . 2371 1 32 . 1 1 9 9 THR CA C 13 61.3 . . 1 . . . . . . . . 2371 1 33 . 1 1 9 9 THR HA H 1 4.54 . . 1 . . . . . . . . 2371 1 34 . 1 1 9 9 THR N N 15 122.8 . . 1 . . . . . . . . 2371 1 35 . 1 1 10 10 ALA H H 1 7.49 . . 1 . . . . . . . . 2371 1 36 . 1 1 10 10 ALA CA C 13 50.6 . . 1 . . . . . . . . 2371 1 37 . 1 1 10 10 ALA HA H 1 4.55 . . 1 . . . . . . . . 2371 1 38 . 1 1 10 10 ALA N N 15 132.3 . . 1 . . . . . . . . 2371 1 39 . 1 1 11 11 PRO CA C 13 65.1 . . 1 . . . . . . . . 2371 1 40 . 1 1 11 11 PRO HA H 1 4.17 . . 1 . . . . . . . . 2371 1 41 . 1 1 12 12 ASN H H 1 8.8 . . 1 . . . . . . . . 2371 1 42 . 1 1 12 12 ASN CA C 13 52.5 . . 1 . . . . . . . . 2371 1 43 . 1 1 12 12 ASN HA H 1 4.91 . . 1 . . . . . . . . 2371 1 44 . 1 1 12 12 ASN N N 15 116.9 . . 1 . . . . . . . . 2371 1 45 . 1 1 13 13 GLY H H 1 8.03 . . 1 . . . . . . . . 2371 1 46 . 1 1 13 13 GLY CA C 13 45 . . 1 . . . . . . . . 2371 1 47 . 1 1 13 13 GLY HA2 H 1 3.4 . . 2 . . . . . . . . 2371 1 48 . 1 1 13 13 GLY HA3 H 1 4.17 . . 2 . . . . . . . . 2371 1 49 . 1 1 13 13 GLY N N 15 109.1 . . 1 . . . . . . . . 2371 1 50 . 1 1 14 14 LEU H H 1 8.1 . . 1 . . . . . . . . 2371 1 51 . 1 1 14 14 LEU CA C 13 53.3 . . 1 . . . . . . . . 2371 1 52 . 1 1 14 14 LEU HA H 1 4.49 . . 1 . . . . . . . . 2371 1 53 . 1 1 14 14 LEU N N 15 125.2 . . 1 . . . . . . . . 2371 1 54 . 1 1 15 15 HIS H H 1 7.02 . . 1 . . . . . . . . 2371 1 55 . 1 1 15 15 HIS CA C 13 54.7 . . 1 . . . . . . . . 2371 1 56 . 1 1 15 15 HIS HA H 1 4.76 . . 1 . . . . . . . . 2371 1 57 . 1 1 15 15 HIS N N 15 122.6 . . 1 . . . . . . . . 2371 1 58 . 1 1 16 16 THR H H 1 8.13 . . 1 . . . . . . . . 2371 1 59 . 1 1 16 16 THR CA C 13 67.6 . . 1 . . . . . . . . 2371 1 60 . 1 1 16 16 THR HA H 1 3.76 . . 1 . . . . . . . . 2371 1 61 . 1 1 16 16 THR N N 15 115.7 . . 1 . . . . . . . . 2371 1 62 . 1 1 17 17 ARG H H 1 8.59 . . 1 . . . . . . . . 2371 1 63 . 1 1 17 17 ARG CA C 13 60.9 . . 1 . . . . . . . . 2371 1 64 . 1 1 17 17 ARG HA H 1 4.36 . . 1 . . . . . . . . 2371 1 65 . 1 1 17 17 ARG N N 15 121.5 . . 1 . . . . . . . . 2371 1 66 . 1 1 18 18 PRO CA C 13 64.9 . . 1 . . . . . . . . 2371 1 67 . 1 1 18 18 PRO HA H 1 4.51 . . 1 . . . . . . . . 2371 1 68 . 1 1 19 19 ALA H H 1 8.35 . . 1 . . . . . . . . 2371 1 69 . 1 1 19 19 ALA CA C 13 55.3 . . 1 . . . . . . . . 2371 1 70 . 1 1 19 19 ALA HA H 1 3.84 . . 1 . . . . . . . . 2371 1 71 . 1 1 19 19 ALA N N 15 123.9 . . 1 . . . . . . . . 2371 1 72 . 1 1 20 20 ALA H H 1 8.38 . . 1 . . . . . . . . 2371 1 73 . 1 1 20 20 ALA CA C 13 55.1 . . 1 . . . . . . . . 2371 1 74 . 1 1 20 20 ALA HA H 1 4.07 . . 1 . . . . . . . . 2371 1 75 . 1 1 20 20 ALA N N 15 121.6 . . 1 . . . . . . . . 2371 1 76 . 1 1 21 21 GLN H H 1 7.66 . . 1 . . . . . . . . 2371 1 77 . 1 1 21 21 GLN CA C 13 58.4 . . 1 . . . . . . . . 2371 1 78 . 1 1 21 21 GLN HA H 1 4.09 . . 1 . . . . . . . . 2371 1 79 . 1 1 21 21 GLN N N 15 121.9 . . 1 . . . . . . . . 2371 1 80 . 1 1 22 22 PHE H H 1 8.5 . . 1 . . . . . . . . 2371 1 81 . 1 1 22 22 PHE CA C 13 61.9 . . 1 . . . . . . . . 2371 1 82 . 1 1 22 22 PHE HA H 1 3.91 . . 1 . . . . . . . . 2371 1 83 . 1 1 22 22 PHE N N 15 124.4 . . 1 . . . . . . . . 2371 1 84 . 1 1 23 23 VAL H H 1 8.37 . . 1 . . . . . . . . 2371 1 85 . 1 1 23 23 VAL CA C 13 65 . . 1 . . . . . . . . 2371 1 86 . 1 1 23 23 VAL HA H 1 4.17 . . 1 . . . . . . . . 2371 1 87 . 1 1 23 23 VAL N N 15 121 . . 1 . . . . . . . . 2371 1 88 . 1 1 24 24 LYS H H 1 7.75 . . 1 . . . . . . . . 2371 1 89 . 1 1 24 24 LYS CA C 13 59.7 . . 1 . . . . . . . . 2371 1 90 . 1 1 24 24 LYS HA H 1 3.88 . . 1 . . . . . . . . 2371 1 91 . 1 1 24 24 LYS N N 15 121.3 . . 1 . . . . . . . . 2371 1 92 . 1 1 25 25 GLU H H 1 8.13 . . 1 . . . . . . . . 2371 1 93 . 1 1 25 25 GLU CA C 13 58.7 . . 1 . . . . . . . . 2371 1 94 . 1 1 25 25 GLU HA H 1 3.98 . . 1 . . . . . . . . 2371 1 95 . 1 1 25 25 GLU N N 15 119.8 . . 1 . . . . . . . . 2371 1 96 . 1 1 26 26 ALA H H 1 8.83 . . 1 . . . . . . . . 2371 1 97 . 1 1 26 26 ALA CA C 13 55.4 . . 1 . . . . . . . . 2371 1 98 . 1 1 26 26 ALA HA H 1 3.97 . . 1 . . . . . . . . 2371 1 99 . 1 1 26 26 ALA N N 15 126.8 . . 1 . . . . . . . . 2371 1 100 . 1 1 27 27 LYS H H 1 8.02 . . 1 . . . . . . . . 2371 1 101 . 1 1 27 27 LYS CA C 13 58.7 . . 1 . . . . . . . . 2371 1 102 . 1 1 27 27 LYS HA H 1 3.89 . . 1 . . . . . . . . 2371 1 103 . 1 1 27 27 LYS N N 15 114.9 . . 1 . . . . . . . . 2371 1 104 . 1 1 28 28 GLY H H 1 7.55 . . 1 . . . . . . . . 2371 1 105 . 1 1 28 28 GLY CA C 13 45 . . 1 . . . . . . . . 2371 1 106 . 1 1 28 28 GLY HA2 H 1 3.4 . . 2 . . . . . . . . 2371 1 107 . 1 1 28 28 GLY HA3 H 1 3.91 . . 2 . . . . . . . . 2371 1 108 . 1 1 28 28 GLY N N 15 107.9 . . 1 . . . . . . . . 2371 1 109 . 1 1 29 29 PHE H H 1 7.37 . . 1 . . . . . . . . 2371 1 110 . 1 1 29 29 PHE CA C 13 57.2 . . 1 . . . . . . . . 2371 1 111 . 1 1 29 29 PHE HA H 1 4.73 . . 1 . . . . . . . . 2371 1 112 . 1 1 29 29 PHE N N 15 121.7 . . 1 . . . . . . . . 2371 1 113 . 1 1 30 30 THR H H 1 10.98 . . 1 . . . . . . . . 2371 1 114 . 1 1 30 30 THR CA C 13 63.9 . . 1 . . . . . . . . 2371 1 115 . 1 1 30 30 THR HA H 1 4.18 . . 1 . . . . . . . . 2371 1 116 . 1 1 30 30 THR N N 15 121.1 . . 1 . . . . . . . . 2371 1 117 . 1 1 31 31 SER H H 1 9.15 . . 1 . . . . . . . . 2371 1 118 . 1 1 31 31 SER CA C 13 61.1 . . 1 . . . . . . . . 2371 1 119 . 1 1 31 31 SER HA H 1 4.42 . . 1 . . . . . . . . 2371 1 120 . 1 1 31 31 SER N N 15 122.3 . . 1 . . . . . . . . 2371 1 121 . 1 1 32 32 GLU H H 1 7.87 . . 1 . . . . . . . . 2371 1 122 . 1 1 32 32 GLU CA C 13 56 . . 1 . . . . . . . . 2371 1 123 . 1 1 32 32 GLU HA H 1 4.45 . . 1 . . . . . . . . 2371 1 124 . 1 1 32 32 GLU N N 15 123.7 . . 1 . . . . . . . . 2371 1 125 . 1 1 33 33 ILE H H 1 9.1 . . 1 . . . . . . . . 2371 1 126 . 1 1 33 33 ILE CA C 13 60.3 . . 1 . . . . . . . . 2371 1 127 . 1 1 33 33 ILE HA H 1 5.12 . . 1 . . . . . . . . 2371 1 128 . 1 1 33 33 ILE N N 15 131 . . 1 . . . . . . . . 2371 1 129 . 1 1 34 34 THR H H 1 9.72 . . 1 . . . . . . . . 2371 1 130 . 1 1 34 34 THR CA C 13 61.2 . . 1 . . . . . . . . 2371 1 131 . 1 1 34 34 THR HA H 1 4.94 . . 1 . . . . . . . . 2371 1 132 . 1 1 34 34 THR N N 15 127.4 . . 1 . . . . . . . . 2371 1 133 . 1 1 35 35 VAL H H 1 9.29 . . 1 . . . . . . . . 2371 1 134 . 1 1 35 35 VAL CA C 13 60.8 . . 1 . . . . . . . . 2371 1 135 . 1 1 35 35 VAL HA H 1 4.86 . . 1 . . . . . . . . 2371 1 136 . 1 1 35 35 VAL N N 15 128.4 . . 1 . . . . . . . . 2371 1 137 . 1 1 36 36 THR H H 1 8.94 . . 1 . . . . . . . . 2371 1 138 . 1 1 36 36 THR CA C 13 60.8 . . 1 . . . . . . . . 2371 1 139 . 1 1 36 36 THR HA H 1 5.48 . . 1 . . . . . . . . 2371 1 140 . 1 1 36 36 THR N N 15 124.5 . . 1 . . . . . . . . 2371 1 141 . 1 1 37 37 SER H H 1 9.11 . . 1 . . . . . . . . 2371 1 142 . 1 1 37 37 SER CA C 13 56.7 . . 1 . . . . . . . . 2371 1 143 . 1 1 37 37 SER HA H 1 4.79 . . 1 . . . . . . . . 2371 1 144 . 1 1 37 37 SER N N 15 121.3 . . 1 . . . . . . . . 2371 1 145 . 1 1 38 38 ASN H H 1 9.82 . . 1 . . . . . . . . 2371 1 146 . 1 1 38 38 ASN CA C 13 54.2 . . 1 . . . . . . . . 2371 1 147 . 1 1 38 38 ASN HA H 1 4.41 . . 1 . . . . . . . . 2371 1 148 . 1 1 38 38 ASN N N 15 129.7 . . 1 . . . . . . . . 2371 1 149 . 1 1 39 39 GLY H H 1 8.63 . . 1 . . . . . . . . 2371 1 150 . 1 1 39 39 GLY CA C 13 45.3 . . 1 . . . . . . . . 2371 1 151 . 1 1 39 39 GLY HA2 H 1 3.58 . . 2 . . . . . . . . 2371 1 152 . 1 1 39 39 GLY HA3 H 1 4.13 . . 2 . . . . . . . . 2371 1 153 . 1 1 39 39 GLY N N 15 105.4 . . 1 . . . . . . . . 2371 1 154 . 1 1 40 40 LYS H H 1 7.95 . . 1 . . . . . . . . 2371 1 155 . 1 1 40 40 LYS CA C 13 54.8 . . 1 . . . . . . . . 2371 1 156 . 1 1 40 40 LYS HA H 1 4.69 . . 1 . . . . . . . . 2371 1 157 . 1 1 40 40 LYS N N 15 124.9 . . 1 . . . . . . . . 2371 1 158 . 1 1 41 41 SER H H 1 8.43 . . 1 . . . . . . . . 2371 1 159 . 1 1 41 41 SER CA C 13 56.9 . . 1 . . . . . . . . 2371 1 160 . 1 1 41 41 SER HA H 1 5.83 . . 1 . . . . . . . . 2371 1 161 . 1 1 41 41 SER N N 15 118.4 . . 1 . . . . . . . . 2371 1 162 . 1 1 42 42 ALA H H 1 9.14 . . 1 . . . . . . . . 2371 1 163 . 1 1 42 42 ALA CA C 13 50.7 . . 1 . . . . . . . . 2371 1 164 . 1 1 42 42 ALA HA H 1 4.59 . . 1 . . . . . . . . 2371 1 165 . 1 1 42 42 ALA N N 15 125.8 . . 1 . . . . . . . . 2371 1 166 . 1 1 43 43 SER H H 1 8.2 . . 1 . . . . . . . . 2371 1 167 . 1 1 43 43 SER CA C 13 57 . . 1 . . . . . . . . 2371 1 168 . 1 1 43 43 SER HA H 1 4.83 . . 1 . . . . . . . . 2371 1 169 . 1 1 43 43 SER N N 15 116.2 . . 1 . . . . . . . . 2371 1 170 . 1 1 44 44 ALA H H 1 8.4 . . 1 . . . . . . . . 2371 1 171 . 1 1 44 44 ALA CA C 13 52.6 . . 1 . . . . . . . . 2371 1 172 . 1 1 44 44 ALA HA H 1 4.21 . . 1 . . . . . . . . 2371 1 173 . 1 1 44 44 ALA N N 15 128.9 . . 1 . . . . . . . . 2371 1 174 . 1 1 45 45 LYS H H 1 7.67 . . 1 . . . . . . . . 2371 1 175 . 1 1 45 45 LYS CA C 13 55.6 . . 1 . . . . . . . . 2371 1 176 . 1 1 45 45 LYS HA H 1 4.35 . . 1 . . . . . . . . 2371 1 177 . 1 1 45 45 LYS N N 15 110 . . 1 . . . . . . . . 2371 1 178 . 1 1 46 46 SER H H 1 7.2 . . 1 . . . . . . . . 2371 1 179 . 1 1 46 46 SER CA C 13 54.9 . . 1 . . . . . . . . 2371 1 180 . 1 1 46 46 SER HA H 1 4.83 . . 1 . . . . . . . . 2371 1 181 . 1 1 46 46 SER N N 15 115.8 . . 1 . . . . . . . . 2371 1 182 . 1 1 47 47 LEU H H 1 9.11 . . 1 . . . . . . . . 2371 1 183 . 1 1 47 47 LEU CA C 13 58.4 . . 1 . . . . . . . . 2371 1 184 . 1 1 47 47 LEU HA H 1 4.04 . . 1 . . . . . . . . 2371 1 185 . 1 1 47 47 LEU N N 15 133.3 . . 1 . . . . . . . . 2371 1 186 . 1 1 48 48 PHE H H 1 8.26 . . 1 . . . . . . . . 2371 1 187 . 1 1 48 48 PHE CA C 13 60 . . 1 . . . . . . . . 2371 1 188 . 1 1 48 48 PHE HA H 1 4.36 . . 1 . . . . . . . . 2371 1 189 . 1 1 48 48 PHE N N 15 118.1 . . 1 . . . . . . . . 2371 1 190 . 1 1 49 49 LYS H H 1 7.67 . . 1 . . . . . . . . 2371 1 191 . 1 1 49 49 LYS CA C 13 57.4 . . 1 . . . . . . . . 2371 1 192 . 1 1 49 49 LYS HA H 1 4.1 . . 1 . . . . . . . . 2371 1 193 . 1 1 49 49 LYS N N 15 118.8 . . 1 . . . . . . . . 2371 1 194 . 1 1 50 50 LEU H H 1 8.62 . . 1 . . . . . . . . 2371 1 195 . 1 1 50 50 LEU CA C 13 58.4 . . 1 . . . . . . . . 2371 1 196 . 1 1 50 50 LEU HA H 1 3.76 . . 1 . . . . . . . . 2371 1 197 . 1 1 50 50 LEU N N 15 126.2 . . 1 . . . . . . . . 2371 1 198 . 1 1 51 51 GLN H H 1 7.91 . . 1 . . . . . . . . 2371 1 199 . 1 1 51 51 GLN CA C 13 58.1 . . 1 . . . . . . . . 2371 1 200 . 1 1 51 51 GLN HA H 1 4.14 . . 1 . . . . . . . . 2371 1 201 . 1 1 51 51 GLN N N 15 114.1 . . 1 . . . . . . . . 2371 1 202 . 1 1 52 52 THR H H 1 7.54 . . 1 . . . . . . . . 2371 1 203 . 1 1 52 52 THR CA C 13 63.1 . . 1 . . . . . . . . 2371 1 204 . 1 1 52 52 THR HA H 1 4.27 . . 1 . . . . . . . . 2371 1 205 . 1 1 52 52 THR N N 15 111.8 . . 1 . . . . . . . . 2371 1 206 . 1 1 53 53 LEU H H 1 7.44 . . 1 . . . . . . . . 2371 1 207 . 1 1 53 53 LEU CA C 13 54.8 . . 1 . . . . . . . . 2371 1 208 . 1 1 53 53 LEU HA H 1 4.27 . . 1 . . . . . . . . 2371 1 209 . 1 1 53 53 LEU N N 15 123.3 . . 1 . . . . . . . . 2371 1 210 . 1 1 54 54 GLY H H 1 8.29 . . 1 . . . . . . . . 2371 1 211 . 1 1 54 54 GLY CA C 13 46.6 . . 1 . . . . . . . . 2371 1 212 . 1 1 54 54 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 2371 1 213 . 1 1 54 54 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 2371 1 214 . 1 1 54 54 GLY N N 15 110.3 . . 1 . . . . . . . . 2371 1 215 . 1 1 55 55 LEU H H 1 8.45 . . 1 . . . . . . . . 2371 1 216 . 1 1 55 55 LEU CA C 13 53.6 . . 1 . . . . . . . . 2371 1 217 . 1 1 55 55 LEU HA H 1 4.32 . . 1 . . . . . . . . 2371 1 218 . 1 1 55 55 LEU N N 15 127.4 . . 1 . . . . . . . . 2371 1 219 . 1 1 56 56 THR H H 1 7.31 . . 1 . . . . . . . . 2371 1 220 . 1 1 56 56 THR CA C 13 60.3 . . 1 . . . . . . . . 2371 1 221 . 1 1 56 56 THR HA H 1 4.26 . . 1 . . . . . . . . 2371 1 222 . 1 1 56 56 THR N N 15 112.9 . . 1 . . . . . . . . 2371 1 223 . 1 1 57 57 GLN H H 1 8.84 . . 1 . . . . . . . . 2371 1 224 . 1 1 57 57 GLN CA C 13 58.4 . . 1 . . . . . . . . 2371 1 225 . 1 1 57 57 GLN HA H 1 3.64 . . 1 . . . . . . . . 2371 1 226 . 1 1 57 57 GLN N N 15 124.4 . . 1 . . . . . . . . 2371 1 227 . 1 1 58 58 GLY H H 1 9.29 . . 1 . . . . . . . . 2371 1 228 . 1 1 58 58 GLY CA C 13 44.5 . . 1 . . . . . . . . 2371 1 229 . 1 1 58 58 GLY HA2 H 1 3.46 . . 2 . . . . . . . . 2371 1 230 . 1 1 58 58 GLY HA3 H 1 4.32 . . 2 . . . . . . . . 2371 1 231 . 1 1 58 58 GLY N N 15 118 . . 1 . . . . . . . . 2371 1 232 . 1 1 59 59 THR H H 1 7.88 . . 1 . . . . . . . . 2371 1 233 . 1 1 59 59 THR CA C 13 64.2 . . 1 . . . . . . . . 2371 1 234 . 1 1 59 59 THR HA H 1 4.06 . . 1 . . . . . . . . 2371 1 235 . 1 1 59 59 THR N N 15 120.6 . . 1 . . . . . . . . 2371 1 236 . 1 1 60 60 VAL H H 1 8.61 . . 1 . . . . . . . . 2371 1 237 . 1 1 60 60 VAL CA C 13 62.1 . . 1 . . . . . . . . 2371 1 238 . 1 1 60 60 VAL HA H 1 4.45 . . 1 . . . . . . . . 2371 1 239 . 1 1 60 60 VAL N N 15 130.2 . . 1 . . . . . . . . 2371 1 240 . 1 1 61 61 VAL H H 1 9.28 . . 1 . . . . . . . . 2371 1 241 . 1 1 61 61 VAL CA C 13 58.9 . . 1 . . . . . . . . 2371 1 242 . 1 1 61 61 VAL HA H 1 4.98 . . 1 . . . . . . . . 2371 1 243 . 1 1 61 61 VAL N N 15 127.9 . . 1 . . . . . . . . 2371 1 244 . 1 1 62 62 THR H H 1 8.88 . . 1 . . . . . . . . 2371 1 245 . 1 1 62 62 THR CA C 13 62 . . 1 . . . . . . . . 2371 1 246 . 1 1 62 62 THR HA H 1 4.85 . . 1 . . . . . . . . 2371 1 247 . 1 1 62 62 THR N N 15 120.5 . . 1 . . . . . . . . 2371 1 248 . 1 1 63 63 ILE H H 1 9.03 . . 1 . . . . . . . . 2371 1 249 . 1 1 63 63 ILE CA C 13 60.5 . . 1 . . . . . . . . 2371 1 250 . 1 1 63 63 ILE HA H 1 4.86 . . 1 . . . . . . . . 2371 1 251 . 1 1 63 63 ILE N N 15 131.5 . . 1 . . . . . . . . 2371 1 252 . 1 1 64 64 SER H H 1 9.09 . . 1 . . . . . . . . 2371 1 253 . 1 1 64 64 SER CA C 13 55.7 . . 1 . . . . . . . . 2371 1 254 . 1 1 64 64 SER HA H 1 5.61 . . 1 . . . . . . . . 2371 1 255 . 1 1 64 64 SER N N 15 123.4 . . 1 . . . . . . . . 2371 1 256 . 1 1 65 65 ALA H H 1 9.18 . . 1 . . . . . . . . 2371 1 257 . 1 1 65 65 ALA CA C 13 50.1 . . 1 . . . . . . . . 2371 1 258 . 1 1 65 65 ALA HA H 1 5.68 . . 1 . . . . . . . . 2371 1 259 . 1 1 65 65 ALA N N 15 126.3 . . 1 . . . . . . . . 2371 1 260 . 1 1 66 66 GLU H H 1 8.34 . . 1 . . . . . . . . 2371 1 261 . 1 1 66 66 GLU CA C 13 54 . . 1 . . . . . . . . 2371 1 262 . 1 1 66 66 GLU HA H 1 5.36 . . 1 . . . . . . . . 2371 1 263 . 1 1 66 66 GLU N N 15 121.2 . . 1 . . . . . . . . 2371 1 264 . 1 1 67 67 GLY H H 1 10.17 . . 1 . . . . . . . . 2371 1 265 . 1 1 67 67 GLY CA C 13 45.1 . . 1 . . . . . . . . 2371 1 266 . 1 1 67 67 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 2371 1 267 . 1 1 67 67 GLY HA3 H 1 4.85 . . 2 . . . . . . . . 2371 1 268 . 1 1 67 67 GLY N N 15 120.8 . . 1 . . . . . . . . 2371 1 269 . 1 1 68 68 GLU H H 1 9.03 . . 1 . . . . . . . . 2371 1 270 . 1 1 68 68 GLU CA C 13 59.1 . . 1 . . . . . . . . 2371 1 271 . 1 1 68 68 GLU HA H 1 4.03 . . 1 . . . . . . . . 2371 1 272 . 1 1 68 68 GLU N N 15 120.9 . . 1 . . . . . . . . 2371 1 273 . 1 1 69 69 ASP H H 1 7.24 . . 1 . . . . . . . . 2371 1 274 . 1 1 69 69 ASP CA C 13 50.7 . . 1 . . . . . . . . 2371 1 275 . 1 1 69 69 ASP HA H 1 4.93 . . 1 . . . . . . . . 2371 1 276 . 1 1 69 69 ASP N N 15 116.3 . . 1 . . . . . . . . 2371 1 277 . 1 1 70 70 GLU H H 1 6.87 . . 1 . . . . . . . . 2371 1 278 . 1 1 70 70 GLU CA C 13 59.3 . . 1 . . . . . . . . 2371 1 279 . 1 1 70 70 GLU HA H 1 3.79 . . 1 . . . . . . . . 2371 1 280 . 1 1 70 70 GLU N N 15 118.5 . . 1 . . . . . . . . 2371 1 281 . 1 1 71 71 GLN H H 1 7.73 . . 1 . . . . . . . . 2371 1 282 . 1 1 71 71 GLN CA C 13 58.7 . . 1 . . . . . . . . 2371 1 283 . 1 1 71 71 GLN HA H 1 3.27 . . 1 . . . . . . . . 2371 1 284 . 1 1 71 71 GLN N N 15 121.9 . . 1 . . . . . . . . 2371 1 285 . 1 1 72 72 LYS H H 1 7.51 . . 1 . . . . . . . . 2371 1 286 . 1 1 72 72 LYS CA C 13 58.4 . . 1 . . . . . . . . 2371 1 287 . 1 1 72 72 LYS HA H 1 3.88 . . 1 . . . . . . . . 2371 1 288 . 1 1 72 72 LYS N N 15 121.1 . . 1 . . . . . . . . 2371 1 289 . 1 1 73 73 ALA H H 1 8.31 . . 1 . . . . . . . . 2371 1 290 . 1 1 73 73 ALA CA C 13 53.7 . . 1 . . . . . . . . 2371 1 291 . 1 1 73 73 ALA HA H 1 1.92 . . 1 . . . . . . . . 2371 1 292 . 1 1 73 73 ALA N N 15 123 . . 1 . . . . . . . . 2371 1 293 . 1 1 74 74 VAL H H 1 7.25 . . 1 . . . . . . . . 2371 1 294 . 1 1 74 74 VAL CA C 13 67.3 . . 1 . . . . . . . . 2371 1 295 . 1 1 74 74 VAL HA H 1 3.26 . . 1 . . . . . . . . 2371 1 296 . 1 1 74 74 VAL N N 15 117.9 . . 1 . . . . . . . . 2371 1 297 . 1 1 75 75 GLU H H 1 8.27 . . 1 . . . . . . . . 2371 1 298 . 1 1 75 75 GLU CA C 13 60 . . 1 . . . . . . . . 2371 1 299 . 1 1 75 75 GLU HA H 1 3.85 . . 1 . . . . . . . . 2371 1 300 . 1 1 75 75 GLU N N 15 118.7 . . 1 . . . . . . . . 2371 1 301 . 1 1 76 76 HIS H H 1 8.24 . . 1 . . . . . . . . 2371 1 302 . 1 1 76 76 HIS CA C 13 59.7 . . 1 . . . . . . . . 2371 1 303 . 1 1 76 76 HIS HA H 1 4.24 . . 1 . . . . . . . . 2371 1 304 . 1 1 76 76 HIS N N 15 120.1 . . 1 . . . . . . . . 2371 1 305 . 1 1 77 77 LEU H H 1 7.99 . . 1 . . . . . . . . 2371 1 306 . 1 1 77 77 LEU CA C 13 57.5 . . 1 . . . . . . . . 2371 1 307 . 1 1 77 77 LEU HA H 1 4.04 . . 1 . . . . . . . . 2371 1 308 . 1 1 77 77 LEU N N 15 121.2 . . 1 . . . . . . . . 2371 1 309 . 1 1 78 78 VAL H H 1 8.96 . . 1 . . . . . . . . 2371 1 310 . 1 1 78 78 VAL CA C 13 66.8 . . 1 . . . . . . . . 2371 1 311 . 1 1 78 78 VAL HA H 1 3.59 . . 1 . . . . . . . . 2371 1 312 . 1 1 78 78 VAL N N 15 122 . . 1 . . . . . . . . 2371 1 313 . 1 1 79 79 LYS H H 1 7.24 . . 1 . . . . . . . . 2371 1 314 . 1 1 79 79 LYS CA C 13 59.3 . . 1 . . . . . . . . 2371 1 315 . 1 1 79 79 LYS HA H 1 4.02 . . 1 . . . . . . . . 2371 1 316 . 1 1 79 79 LYS N N 15 122.6 . . 1 . . . . . . . . 2371 1 317 . 1 1 80 80 LEU H H 1 7.73 . . 1 . . . . . . . . 2371 1 318 . 1 1 80 80 LEU CA C 13 57.5 . . 1 . . . . . . . . 2371 1 319 . 1 1 80 80 LEU HA H 1 4.05 . . 1 . . . . . . . . 2371 1 320 . 1 1 80 80 LEU N N 15 120.5 . . 1 . . . . . . . . 2371 1 321 . 1 1 81 81 MET H H 1 8.09 . . 1 . . . . . . . . 2371 1 322 . 1 1 81 81 MET CA C 13 58.2 . . 1 . . . . . . . . 2371 1 323 . 1 1 81 81 MET HA H 1 4.06 . . 1 . . . . . . . . 2371 1 324 . 1 1 81 81 MET N N 15 118.4 . . 1 . . . . . . . . 2371 1 325 . 1 1 82 82 ALA H H 1 7.83 . . 1 . . . . . . . . 2371 1 326 . 1 1 82 82 ALA CA C 13 53.6 . . 1 . . . . . . . . 2371 1 327 . 1 1 82 82 ALA HA H 1 4.3 . . 1 . . . . . . . . 2371 1 328 . 1 1 82 82 ALA N N 15 120.9 . . 1 . . . . . . . . 2371 1 329 . 1 1 83 83 GLU H H 1 7.78 . . 1 . . . . . . . . 2371 1 330 . 1 1 83 83 GLU CA C 13 55.7 . . 1 . . . . . . . . 2371 1 331 . 1 1 83 83 GLU HA H 1 4.42 . . 1 . . . . . . . . 2371 1 332 . 1 1 83 83 GLU N N 15 118.3 . . 1 . . . . . . . . 2371 1 333 . 1 1 84 84 LEU H H 1 7.24 . . 1 . . . . . . . . 2371 1 334 . 1 1 84 84 LEU CA C 13 55.8 . . 1 . . . . . . . . 2371 1 335 . 1 1 84 84 LEU HA H 1 4.27 . . 1 . . . . . . . . 2371 1 336 . 1 1 84 84 LEU N N 15 123.8 . . 1 . . . . . . . . 2371 1 337 . 1 1 85 85 GLU H H 1 7.87 . . 1 . . . . . . . . 2371 1 338 . 1 1 85 85 GLU CA C 13 57.4 . . 1 . . . . . . . . 2371 1 339 . 1 1 85 85 GLU HA H 1 4.27 . . 1 . . . . . . . . 2371 1 340 . 1 1 85 85 GLU N N 15 127.7 . . 1 . . . . . . . . 2371 1 stop_ save_