data_6258 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6258 _Entry.Title ; Backbone 1H, 13C, 15N and Cb chemical shift assignments for TolAIII in complex with g3pN1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-30 _Entry.Accession_date 2004-07-06 _Entry.Last_release_date 2004-07-06 _Entry.Original_release_date 2004-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Christophe Deprez . . . . 6258 2 Roland Lloubes . . . . 6258 3 Marthe Gavioli . . . . 6258 4 Dominique Marion . . . . 6258 5 Francoise Guerlesquin . . . . 6258 6 Laurence Blanchard . . . . 6258 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6258 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 225 6258 '15N chemical shifts' 80 6258 '1H chemical shifts' 80 6258 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-02-21 . original BMRB . 6258 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4771 'C-terminal domain of the TolA protein' 6258 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6258 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15701516 _Citation.Full_citation . _Citation.Title ; Solution Structure of the E.coli TolA C-terminal Domain Reveals Conformational Changes upon Binding to the Phage g3p N-terminal Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 346 _Citation.Journal_issue 4 _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 1047 _Citation.Page_last 1057 _Citation.Year 2005 _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 Christophe Deprez . . . . 6258 1 2 Roland Lloubes . . . . 6258 1 3 Marthe Gavioli . . . . 6258 1 4 Dominique Marion . . . . 6258 1 5 Francoise Guerlesquin . . . . 6258 1 6 Laurence Blanchard . . . . 6258 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Tol-Pal system' 6258 1 'TolA protein' 6258 1 'conformational changes' 6258 1 g3p 6258 1 'protein-protein intercations' 6258 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_complexed_TolAIII _Assembly.Sf_category assembly _Assembly.Sf_framecode system_complexed_TolAIII _Assembly.Entry_ID 6258 _Assembly.ID 1 _Assembly.Name 'g3pN1 bound TolAIII' _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 reported' _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 heterodimer 6258 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 TolAIII 1 $TolAIII . . . native . . . . . 6258 1 2 g3pN1 2 $g3pN1 . . . native . . . . . 6258 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 67 67 SG . . . . . . . . . . . . 6258 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'complexed TolAIII' abbreviation 6258 1 'g3pN1 bound TolAIII' system 6258 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TolAIII _Entity.Sf_category entity _Entity.Sf_framecode TolAIII _Entity.Entry_ID 6258 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TolA domain III' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AEFGNTKNNGASGADINNYA GQIKSAIESKFYDASSYAGK TCTLRIKLAPDGMLLDIKPE GGDPALCQAALAAAKLAKIP KPPSQAVYEVFKNAPLDFKP HHHHHH ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . BMRB 4771 . TolA . . . . . 100.00 106 100.00 100.00 3.66e-55 . . . . 6258 1 . . PDB 1S62 . 'Solution Structure Of The Escherichia Coli Tola C-Terminal Domain' . . . . . 100.00 106 100.00 100.00 3.66e-55 . . . . 6258 1 . . PDB 1TOL . 'Fusion Of N-Terminal Domain Of The Minor Coat Protein From Gene Iii In Phage M13, And C-Terminal Domain Of E. Coli Protein-Tola' . . . . . 91.51 222 100.00 100.00 7.78e-44 . . . . 6258 1 . . DBJ BAA35405 . 'membrane anchored protein in TolA-TolQ-TolR complex [Escherichia coli W3110]' . . . . . 91.51 421 100.00 100.00 3.34e-54 . . . . 6258 1 . . DBJ BAB34197 . 'membrane spanning protein TolA [Escherichia coli O157:H7 str. Sakai]' . . . . . 91.51 394 100.00 100.00 1.21e-53 . . . . 6258 1 . . GenBank AAA24683 . tolA . . . . . 91.51 421 100.00 100.00 3.34e-54 . . . . 6258 1 . . GenBank AAC73833 . 'membrane anchored protein in TolA-TolQ-TolR complex [Escherichia coli str. K-12 substr. MG1655]' . . . . . 91.51 421 100.00 100.00 3.34e-54 . . . . 6258 1 . . GenBank AAG55075 . 'membrane spanning protein, required for outer membrane integrity [Escherichia coli O157:H7 EDL933]' . . . . . 91.51 394 100.00 100.00 1.21e-53 . . . . 6258 1 . . GenBank AAN42202 . 'membrane spanning protein [Shigella flexneri 2a str. 301]' . . . . . 91.51 413 100.00 100.00 5.89e-54 . . . . 6258 1 . . GenBank AAN79291 . 'TolA protein [Escherichia coli CFT073]' . . . . . 91.51 421 100.00 100.00 4.05e-54 . . . . 6258 1 . . REF AP_001377 . 'membrane anchored protein in TolA-TolQ-TolR complex [Escherichia coli W3110]' . . . . . 91.51 421 100.00 100.00 3.34e-54 . . . . 6258 1 . . REF NP_286467 . 'cell envelope integrity inner membrane protein TolA [Escherichia coli O157:H7 EDL933]' . . . . . 91.51 394 100.00 100.00 1.21e-53 . . . . 6258 1 . . REF NP_308801 . 'cell envelope integrity inner membrane protein TolA [Escherichia coli O157:H7 str. Sakai]' . . . . . 91.51 394 100.00 100.00 1.21e-53 . . . . 6258 1 . . REF NP_415267 . 'membrane anchored protein in TolA-TolQ-TolR complex [Escherichia coli str. K-12 substr. MG1655]' . . . . . 91.51 421 100.00 100.00 3.34e-54 . . . . 6258 1 . . REF NP_706495 . 'cell envelope integrity inner membrane protein TolA [Shigella flexneri 2a str. 301]' . . . . . 91.51 413 100.00 100.00 5.89e-54 . . . . 6258 1 . . SWISS-PROT P19934 . 'Protein tolA' . . . . . 91.51 421 100.00 100.00 3.34e-54 . . . . 6258 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TolA domain III' common 6258 1 TolAIII abbreviation 6258 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 . ALA . 6258 1 2 . GLU . 6258 1 3 . PHE . 6258 1 4 . GLY . 6258 1 5 . ASN . 6258 1 6 . THR . 6258 1 7 . LYS . 6258 1 8 . ASN . 6258 1 9 . ASN . 6258 1 10 . GLY . 6258 1 11 . ALA . 6258 1 12 . SER . 6258 1 13 . GLY . 6258 1 14 . ALA . 6258 1 15 . ASP . 6258 1 16 . ILE . 6258 1 17 . ASN . 6258 1 18 . ASN . 6258 1 19 . TYR . 6258 1 20 . ALA . 6258 1 21 . GLY . 6258 1 22 . GLN . 6258 1 23 . ILE . 6258 1 24 . LYS . 6258 1 25 . SER . 6258 1 26 . ALA . 6258 1 27 . ILE . 6258 1 28 . GLU . 6258 1 29 . SER . 6258 1 30 . LYS . 6258 1 31 . PHE . 6258 1 32 . TYR . 6258 1 33 . ASP . 6258 1 34 . ALA . 6258 1 35 . SER . 6258 1 36 . SER . 6258 1 37 . TYR . 6258 1 38 . ALA . 6258 1 39 . GLY . 6258 1 40 . LYS . 6258 1 41 . THR . 6258 1 42 . CYS . 6258 1 43 . THR . 6258 1 44 . LEU . 6258 1 45 . ARG . 6258 1 46 . ILE . 6258 1 47 . LYS . 6258 1 48 . LEU . 6258 1 49 . ALA . 6258 1 50 . PRO . 6258 1 51 . ASP . 6258 1 52 . GLY . 6258 1 53 . MET . 6258 1 54 . LEU . 6258 1 55 . LEU . 6258 1 56 . ASP . 6258 1 57 . ILE . 6258 1 58 . LYS . 6258 1 59 . PRO . 6258 1 60 . GLU . 6258 1 61 . GLY . 6258 1 62 . GLY . 6258 1 63 . ASP . 6258 1 64 . PRO . 6258 1 65 . ALA . 6258 1 66 . LEU . 6258 1 67 . CYS . 6258 1 68 . GLN . 6258 1 69 . ALA . 6258 1 70 . ALA . 6258 1 71 . LEU . 6258 1 72 . ALA . 6258 1 73 . ALA . 6258 1 74 . ALA . 6258 1 75 . LYS . 6258 1 76 . LEU . 6258 1 77 . ALA . 6258 1 78 . LYS . 6258 1 79 . ILE . 6258 1 80 . PRO . 6258 1 81 . LYS . 6258 1 82 . PRO . 6258 1 83 . PRO . 6258 1 84 . SER . 6258 1 85 . GLN . 6258 1 86 . ALA . 6258 1 87 . VAL . 6258 1 88 . TYR . 6258 1 89 . GLU . 6258 1 90 . VAL . 6258 1 91 . PHE . 6258 1 92 . LYS . 6258 1 93 . ASN . 6258 1 94 . ALA . 6258 1 95 . PRO . 6258 1 96 . LEU . 6258 1 97 . ASP . 6258 1 98 . PHE . 6258 1 99 . LYS . 6258 1 100 . PRO . 6258 1 101 . HIS . 6258 1 102 . HIS . 6258 1 103 . HIS . 6258 1 104 . HIS . 6258 1 105 . HIS . 6258 1 106 . HIS . 6258 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 . ALA 1 1 6258 1 . GLU 2 2 6258 1 . PHE 3 3 6258 1 . GLY 4 4 6258 1 . ASN 5 5 6258 1 . THR 6 6 6258 1 . LYS 7 7 6258 1 . ASN 8 8 6258 1 . ASN 9 9 6258 1 . GLY 10 10 6258 1 . ALA 11 11 6258 1 . SER 12 12 6258 1 . GLY 13 13 6258 1 . ALA 14 14 6258 1 . ASP 15 15 6258 1 . ILE 16 16 6258 1 . ASN 17 17 6258 1 . ASN 18 18 6258 1 . TYR 19 19 6258 1 . ALA 20 20 6258 1 . GLY 21 21 6258 1 . GLN 22 22 6258 1 . ILE 23 23 6258 1 . LYS 24 24 6258 1 . SER 25 25 6258 1 . ALA 26 26 6258 1 . ILE 27 27 6258 1 . GLU 28 28 6258 1 . SER 29 29 6258 1 . LYS 30 30 6258 1 . PHE 31 31 6258 1 . TYR 32 32 6258 1 . ASP 33 33 6258 1 . ALA 34 34 6258 1 . SER 35 35 6258 1 . SER 36 36 6258 1 . TYR 37 37 6258 1 . ALA 38 38 6258 1 . GLY 39 39 6258 1 . LYS 40 40 6258 1 . THR 41 41 6258 1 . CYS 42 42 6258 1 . THR 43 43 6258 1 . LEU 44 44 6258 1 . ARG 45 45 6258 1 . ILE 46 46 6258 1 . LYS 47 47 6258 1 . LEU 48 48 6258 1 . ALA 49 49 6258 1 . PRO 50 50 6258 1 . ASP 51 51 6258 1 . GLY 52 52 6258 1 . MET 53 53 6258 1 . LEU 54 54 6258 1 . LEU 55 55 6258 1 . ASP 56 56 6258 1 . ILE 57 57 6258 1 . LYS 58 58 6258 1 . PRO 59 59 6258 1 . GLU 60 60 6258 1 . GLY 61 61 6258 1 . GLY 62 62 6258 1 . ASP 63 63 6258 1 . PRO 64 64 6258 1 . ALA 65 65 6258 1 . LEU 66 66 6258 1 . CYS 67 67 6258 1 . GLN 68 68 6258 1 . ALA 69 69 6258 1 . ALA 70 70 6258 1 . LEU 71 71 6258 1 . ALA 72 72 6258 1 . ALA 73 73 6258 1 . ALA 74 74 6258 1 . LYS 75 75 6258 1 . LEU 76 76 6258 1 . ALA 77 77 6258 1 . LYS 78 78 6258 1 . ILE 79 79 6258 1 . PRO 80 80 6258 1 . LYS 81 81 6258 1 . PRO 82 82 6258 1 . PRO 83 83 6258 1 . SER 84 84 6258 1 . GLN 85 85 6258 1 . ALA 86 86 6258 1 . VAL 87 87 6258 1 . TYR 88 88 6258 1 . GLU 89 89 6258 1 . VAL 90 90 6258 1 . PHE 91 91 6258 1 . LYS 92 92 6258 1 . ASN 93 93 6258 1 . ALA 94 94 6258 1 . PRO 95 95 6258 1 . LEU 96 96 6258 1 . ASP 97 97 6258 1 . PHE 98 98 6258 1 . LYS 99 99 6258 1 . PRO 100 100 6258 1 . HIS 101 101 6258 1 . HIS 102 102 6258 1 . HIS 103 103 6258 1 . HIS 104 104 6258 1 . HIS 105 105 6258 1 . HIS 106 106 6258 1 stop_ save_ save_g3pN1 _Entity.Sf_category entity _Entity.Sf_framecode g3pN1 _Entity.Entry_ID 6258 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name g3pN1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKLLFAIPLVVPFYSHSAE TVESCLAKPHTENSFTNVWK DDKTLDRYANYEGCLWNATG VVVCTGDETQCHHHHHH ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 ; G3pN1 is the N-terminal domain of fd phage minor coat gene 3 protein. G3pN1 = G3p (swiss-prot accession number P03662 with one residue difference S11 instead of P11) spanning amino-acids 1-71 of the mature protein followed by six histidine residues was used as a partner of TolAIII. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1FGP . 'Membrane Penetration Domain Of The Minor Coat Protein G3p Of Phage Fd, Nmr, 15 Structures' . . . . . 68.83 70 98.11 100.00 8.78e-24 . . . . 6258 2 . . PDB 2G3P . 'Structure Of The N-Terminal Two Domains Of The Infectivity Protein G3p Of Filamentous Phage Fd' . . . . . 70.13 225 98.15 100.00 5.93e-25 . . . . 6258 2 . . DBJ BAF74208 . 'protein III [Enterobacteria phage f1]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . DBJ BAF74218 . 'protein III [Enterobacteria phage f1]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . EMBL CAA23862 . 'structural protein [Enterobacteria phage M13]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . EMBL CAA23872 . 'unnamed protein product [Enterobacteria phage f1]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . GenBank AAA32215 . 'protein III' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . GenBank AAA32309 . 'III [Enterobacteria phage fd]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . GenBank AAF75609 . 'adsorption protein pIII precursor [Filamentous phage cloning vector fd-tet]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . GenBank AAM73889 . 'adsorption protein pIII precursor [Filamentous phage display vector f8-5]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . GenBank AAM73901 . 'adsorption protein pIII precursor [Filamentous phage display vector c8-4]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . PIR Z3BPF1 . 'coat protein A precursor - phage f1' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . PRF 0812197D . DNA,phage . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . REF NP_510891 . 'structural protein [Enterobacteria phage M13]' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . SWISS-PROT P03661 . 'Coat protein A precursor (G3P)' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . SWISS-PROT P69168 . 'Coat protein A precursor (G3P) (Minor coat protein)' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 . . SWISS-PROT P69169 . 'Coat protein A precursor (G3P) (Minor coat protein)' . . . . . 93.51 424 98.61 100.00 7.03e-39 . . . . 6258 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID g3pN1 abbreviation 6258 2 g3pN1 common 6258 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6258 2 2 . LYS . 6258 2 3 . LYS . 6258 2 4 . LEU . 6258 2 5 . LEU . 6258 2 6 . PHE . 6258 2 7 . ALA . 6258 2 8 . ILE . 6258 2 9 . PRO . 6258 2 10 . LEU . 6258 2 11 . VAL . 6258 2 12 . VAL . 6258 2 13 . PRO . 6258 2 14 . PHE . 6258 2 15 . TYR . 6258 2 16 . SER . 6258 2 17 . HIS . 6258 2 18 . SER . 6258 2 19 . ALA . 6258 2 20 . GLU . 6258 2 21 . THR . 6258 2 22 . VAL . 6258 2 23 . GLU . 6258 2 24 . SER . 6258 2 25 . CYS . 6258 2 26 . LEU . 6258 2 27 . ALA . 6258 2 28 . LYS . 6258 2 29 . PRO . 6258 2 30 . HIS . 6258 2 31 . THR . 6258 2 32 . GLU . 6258 2 33 . ASN . 6258 2 34 . SER . 6258 2 35 . PHE . 6258 2 36 . THR . 6258 2 37 . ASN . 6258 2 38 . VAL . 6258 2 39 . TRP . 6258 2 40 . LYS . 6258 2 41 . ASP . 6258 2 42 . ASP . 6258 2 43 . LYS . 6258 2 44 . THR . 6258 2 45 . LEU . 6258 2 46 . ASP . 6258 2 47 . ARG . 6258 2 48 . TYR . 6258 2 49 . ALA . 6258 2 50 . ASN . 6258 2 51 . TYR . 6258 2 52 . GLU . 6258 2 53 . GLY . 6258 2 54 . CYS . 6258 2 55 . LEU . 6258 2 56 . TRP . 6258 2 57 . ASN . 6258 2 58 . ALA . 6258 2 59 . THR . 6258 2 60 . GLY . 6258 2 61 . VAL . 6258 2 62 . VAL . 6258 2 63 . VAL . 6258 2 64 . CYS . 6258 2 65 . THR . 6258 2 66 . GLY . 6258 2 67 . ASP . 6258 2 68 . GLU . 6258 2 69 . THR . 6258 2 70 . GLN . 6258 2 71 . CYS . 6258 2 72 . HIS . 6258 2 73 . HIS . 6258 2 74 . HIS . 6258 2 75 . HIS . 6258 2 76 . HIS . 6258 2 77 . HIS . 6258 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 . MET 1 1 6258 2 . LYS 2 2 6258 2 . LYS 3 3 6258 2 . LEU 4 4 6258 2 . LEU 5 5 6258 2 . PHE 6 6 6258 2 . ALA 7 7 6258 2 . ILE 8 8 6258 2 . PRO 9 9 6258 2 . LEU 10 10 6258 2 . VAL 11 11 6258 2 . VAL 12 12 6258 2 . PRO 13 13 6258 2 . PHE 14 14 6258 2 . TYR 15 15 6258 2 . SER 16 16 6258 2 . HIS 17 17 6258 2 . SER 18 18 6258 2 . ALA 19 19 6258 2 . GLU 20 20 6258 2 . THR 21 21 6258 2 . VAL 22 22 6258 2 . GLU 23 23 6258 2 . SER 24 24 6258 2 . CYS 25 25 6258 2 . LEU 26 26 6258 2 . ALA 27 27 6258 2 . LYS 28 28 6258 2 . PRO 29 29 6258 2 . HIS 30 30 6258 2 . THR 31 31 6258 2 . GLU 32 32 6258 2 . ASN 33 33 6258 2 . SER 34 34 6258 2 . PHE 35 35 6258 2 . THR 36 36 6258 2 . ASN 37 37 6258 2 . VAL 38 38 6258 2 . TRP 39 39 6258 2 . LYS 40 40 6258 2 . ASP 41 41 6258 2 . ASP 42 42 6258 2 . LYS 43 43 6258 2 . THR 44 44 6258 2 . LEU 45 45 6258 2 . ASP 46 46 6258 2 . ARG 47 47 6258 2 . TYR 48 48 6258 2 . ALA 49 49 6258 2 . ASN 50 50 6258 2 . TYR 51 51 6258 2 . GLU 52 52 6258 2 . GLY 53 53 6258 2 . CYS 54 54 6258 2 . LEU 55 55 6258 2 . TRP 56 56 6258 2 . ASN 57 57 6258 2 . ALA 58 58 6258 2 . THR 59 59 6258 2 . GLY 60 60 6258 2 . VAL 61 61 6258 2 . VAL 62 62 6258 2 . VAL 63 63 6258 2 . CYS 64 64 6258 2 . THR 65 65 6258 2 . GLY 66 66 6258 2 . ASP 67 67 6258 2 . GLU 68 68 6258 2 . THR 69 69 6258 2 . GLN 70 70 6258 2 . CYS 71 71 6258 2 . HIS 72 72 6258 2 . HIS 73 73 6258 2 . HIS 74 74 6258 2 . HIS 75 75 6258 2 . HIS 76 76 6258 2 . HIS 77 77 6258 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6258 _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 1 $TolAIII . 562 . . 'Escherichia E. coli' 'E. coli' . . Eubacteria . Escherichia 'E. coli' . . . . . . . . . . . . . 6258 1 2 2 $g3pN1 . . . . . 'fd phage' . . . . . . . . . . . . . . . . . . 'G3pN1 is the N-terminal domain of fd phage minor coat gene 3 protein.' 6258 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 6258 _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 1 $TolAIII . 'recombinant technology' . . . . . . . . . . . . . . . . 6258 1 2 2 $g3pN1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . BL21(DE3) . . . 6258 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6258 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The NMR tube contains 15N/13C TolAIII (0.4mM) with unlabelled g3pN1 (0.6mM).' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TolA domain III' '[U-13C; U-15N]' . . 1 $TolAIII . . 0.4 . . mM . . . . 6258 1 2 g3pN1 . . . 2 $g3pN1 . . 0.6 . . mM . . . . 6258 1 3 'potassium phosphate buffer' . . . . . . . 30 . . mM . . . . 6258 1 4 NaCl . . . . . . . 30 . . mM . . . . 6258 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 6258 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 6258 1 pH 6.8 0.1 n/a 6258 1 temperature 300 1 K 6258 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6258 _Software.ID 1 _Software.Type . _Software.Name FELIX _Software.Version . _Software.DOI . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6258 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6258 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 6258 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 800 . . . 6258 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6258 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 6258 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6258 1 2 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6258 1 3 '3D DEPT-CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6258 1 4 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6258 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6258 _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 protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 6258 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6258 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6258 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6258 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 6258 1 2 '3D HNCA' 1 $sample_1 . 6258 1 3 '3D DEPT-CBCA(CO)NH' 1 $sample_1 . 6258 1 4 '3D HNCO' 1 $sample_1 . 6258 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 3 3 PHE C C 13 176.14 0.2 . 1 . . . . . . . . . 6258 1 2 . 1 1 3 3 PHE CB C 13 41.09 0.2 . 1 . . . . . . . . . 6258 1 3 . 1 1 4 4 GLY H H 1 8.19 0.05 . 1 . . . . . . . . . 6258 1 4 . 1 1 4 4 GLY C C 13 173.80 0.2 . 1 . . . . . . . . . 6258 1 5 . 1 1 4 4 GLY CA C 13 44.68 0.2 . 1 . . . . . . . . . 6258 1 6 . 1 1 4 4 GLY N N 15 114.0 0.2 . 1 . . . . . . . . . 6258 1 7 . 1 1 5 5 ASN H H 1 8.27 0.05 . 1 . . . . . . . . . 6258 1 8 . 1 1 5 5 ASN C C 13 175.55 0.2 . 1 . . . . . . . . . 6258 1 9 . 1 1 5 5 ASN CA C 13 52.73 0.2 . 1 . . . . . . . . . 6258 1 10 . 1 1 5 5 ASN CB C 13 39.09 0.2 . 1 . . . . . . . . . 6258 1 11 . 1 1 5 5 ASN N N 15 119.18 0.2 . 1 . . . . . . . . . 6258 1 12 . 1 1 6 6 THR H H 1 8.12 0.05 . 1 . . . . . . . . . 6258 1 13 . 1 1 6 6 THR CA C 13 61.48 0.2 . 1 . . . . . . . . . 6258 1 14 . 1 1 6 6 THR N N 15 114.92 0.2 . 1 . . . . . . . . . 6258 1 15 . 1 1 9 9 ASN C C 13 176.25 0.2 . 1 . . . . . . . . . 6258 1 16 . 1 1 9 9 ASN CB C 13 39.81 0.2 . 1 . . . . . . . . . 6258 1 17 . 1 1 10 10 GLY H H 1 8.35 0.05 . 1 . . . . . . . . . 6258 1 18 . 1 1 10 10 GLY C C 13 173.92 0.2 . 1 . . . . . . . . . 6258 1 19 . 1 1 10 10 GLY CA C 13 44.87 0.2 . 1 . . . . . . . . . 6258 1 20 . 1 1 10 10 GLY N N 15 110.83 0.2 . 1 . . . . . . . . . 6258 1 21 . 1 1 11 11 ALA H H 1 8.32 0.05 . 1 . . . . . . . . . 6258 1 22 . 1 1 11 11 ALA C C 13 177.33 0.2 . 1 . . . . . . . . . 6258 1 23 . 1 1 11 11 ALA CA C 13 51.10 0.2 . 1 . . . . . . . . . 6258 1 24 . 1 1 11 11 ALA CB C 13 19.64 0.2 . 1 . . . . . . . . . 6258 1 25 . 1 1 11 11 ALA N N 15 124.0 0.2 . 1 . . . . . . . . . 6258 1 26 . 1 1 12 12 SER H H 1 8.74 0.05 . 1 . . . . . . . . . 6258 1 27 . 1 1 12 12 SER C C 13 175.47 0.2 . 1 . . . . . . . . . 6258 1 28 . 1 1 12 12 SER CA C 13 57.30 0.2 . 1 . . . . . . . . . 6258 1 29 . 1 1 12 12 SER CB C 13 64.62 0.2 . 1 . . . . . . . . . 6258 1 30 . 1 1 12 12 SER N N 15 118.10 0.2 . 1 . . . . . . . . . 6258 1 31 . 1 1 13 13 GLY H H 1 8.76 0.05 . 1 . . . . . . . . . 6258 1 32 . 1 1 13 13 GLY C C 13 176.08 0.2 . 1 . . . . . . . . . 6258 1 33 . 1 1 13 13 GLY CA C 13 46.74 0.2 . 1 . . . . . . . . . 6258 1 34 . 1 1 13 13 GLY N N 15 111.06 0.2 . 1 . . . . . . . . . 6258 1 35 . 1 1 14 14 ALA H H 1 8.22 0.05 . 1 . . . . . . . . . 6258 1 36 . 1 1 14 14 ALA C C 13 179.56 0.2 . 1 . . . . . . . . . 6258 1 37 . 1 1 14 14 ALA CA C 13 54.24 0.2 . 1 . . . . . . . . . 6258 1 38 . 1 1 14 14 ALA CB C 13 18.40 0.2 . 1 . . . . . . . . . 6258 1 39 . 1 1 14 14 ALA N N 15 124.20 0.2 . 1 . . . . . . . . . 6258 1 40 . 1 1 15 15 ASP H H 1 7.91 0.05 . 1 . . . . . . . . . 6258 1 41 . 1 1 15 15 ASP C C 13 179.06 0.2 . 1 . . . . . . . . . 6258 1 42 . 1 1 15 15 ASP CA C 13 56.68 0.2 . 1 . . . . . . . . . 6258 1 43 . 1 1 15 15 ASP CB C 13 40.76 0.2 . 1 . . . . . . . . . 6258 1 44 . 1 1 15 15 ASP N N 15 119.44 0.2 . 1 . . . . . . . . . 6258 1 45 . 1 1 16 16 ILE H H 1 8.0 0.05 . 1 . . . . . . . . . 6258 1 46 . 1 1 16 16 ILE C C 13 177.0 0.2 . 1 . . . . . . . . . 6258 1 47 . 1 1 16 16 ILE CA C 13 65.35 0.2 . 1 . . . . . . . . . 6258 1 48 . 1 1 16 16 ILE CB C 13 38.37 0.2 . 1 . . . . . . . . . 6258 1 49 . 1 1 16 16 ILE N N 15 121.69 0.2 . 1 . . . . . . . . . 6258 1 50 . 1 1 17 17 ASN H H 1 8.08 0.05 . 1 . . . . . . . . . 6258 1 51 . 1 1 17 17 ASN C C 13 176.98 0.2 . 1 . . . . . . . . . 6258 1 52 . 1 1 17 17 ASN CA C 13 56.56 0.2 . 1 . . . . . . . . . 6258 1 53 . 1 1 17 17 ASN CB C 13 39.47 0.2 . 1 . . . . . . . . . 6258 1 54 . 1 1 17 17 ASN N N 15 118.18 0.2 . 1 . . . . . . . . . 6258 1 55 . 1 1 18 18 ASN H H 1 8.41 0.05 . 1 . . . . . . . . . 6258 1 56 . 1 1 18 18 ASN CA C 13 55.44 0.2 . 1 . . . . . . . . . 6258 1 57 . 1 1 18 18 ASN N N 15 116.0 0.2 . 1 . . . . . . . . . 6258 1 58 . 1 1 21 21 GLY C C 13 176.64 0.2 . 1 . . . . . . . . . 6258 1 59 . 1 1 22 22 GLN H H 1 7.43 0.05 . 1 . . . . . . . . . 6258 1 60 . 1 1 22 22 GLN C C 13 179.65 0.2 . 1 . . . . . . . . . 6258 1 61 . 1 1 22 22 GLN CA C 13 58.30 0.2 . 1 . . . . . . . . . 6258 1 62 . 1 1 22 22 GLN CB C 13 28.44 0.2 . 1 . . . . . . . . . 6258 1 63 . 1 1 22 22 GLN N N 15 122.49 0.2 . 1 . . . . . . . . . 6258 1 64 . 1 1 23 23 ILE H H 1 7.72 0.05 . 1 . . . . . . . . . 6258 1 65 . 1 1 23 23 ILE CA C 13 65.97 0.2 . 1 . . . . . . . . . 6258 1 66 . 1 1 23 23 ILE CB C 13 37.02 0.2 . 1 . . . . . . . . . 6258 1 67 . 1 1 23 23 ILE N N 15 121.92 0.2 . 1 . . . . . . . . . 6258 1 68 . 1 1 24 24 LYS H H 1 7.86 0.05 . 1 . . . . . . . . . 6258 1 69 . 1 1 24 24 LYS C C 13 177.89 0.2 . 1 . . . . . . . . . 6258 1 70 . 1 1 24 24 LYS CA C 13 59.92 0.2 . 1 . . . . . . . . . 6258 1 71 . 1 1 24 24 LYS N N 15 119.14 0.2 . 1 . . . . . . . . . 6258 1 72 . 1 1 25 25 SER H H 1 8.08 0.05 . 1 . . . . . . . . . 6258 1 73 . 1 1 25 25 SER C C 13 177.11 0.2 . 1 . . . . . . . . . 6258 1 74 . 1 1 25 25 SER CA C 13 60.92 0.2 . 1 . . . . . . . . . 6258 1 75 . 1 1 25 25 SER CB C 13 62.89 0.2 . 1 . . . . . . . . . 6258 1 76 . 1 1 25 25 SER N N 15 112.73 0.2 . 1 . . . . . . . . . 6258 1 77 . 1 1 26 26 ALA H H 1 7.76 0.05 . 1 . . . . . . . . . 6258 1 78 . 1 1 26 26 ALA C C 13 180.06 0.2 . 1 . . . . . . . . . 6258 1 79 . 1 1 26 26 ALA CA C 13 54.59 0.2 . 1 . . . . . . . . . 6258 1 80 . 1 1 26 26 ALA CB C 13 18.56 0.2 . 1 . . . . . . . . . 6258 1 81 . 1 1 26 26 ALA N N 15 124.20 0.2 . 1 . . . . . . . . . 6258 1 82 . 1 1 27 27 ILE H H 1 7.73 0.05 . 1 . . . . . . . . . 6258 1 83 . 1 1 27 27 ILE C C 13 177.85 0.2 . 1 . . . . . . . . . 6258 1 84 . 1 1 27 27 ILE CA C 13 63.78 0.2 . 1 . . . . . . . . . 6258 1 85 . 1 1 27 27 ILE N N 15 116.79 0.2 . 1 . . . . . . . . . 6258 1 86 . 1 1 28 28 GLU H H 1 8.95 0.05 . 1 . . . . . . . . . 6258 1 87 . 1 1 28 28 GLU C C 13 179.39 0.2 . 1 . . . . . . . . . 6258 1 88 . 1 1 28 28 GLU CA C 13 59.96 0.2 . 1 . . . . . . . . . 6258 1 89 . 1 1 28 28 GLU CB C 13 29.79 0.2 . 1 . . . . . . . . . 6258 1 90 . 1 1 28 28 GLU N N 15 120.28 0.2 . 1 . . . . . . . . . 6258 1 91 . 1 1 29 29 SER H H 1 7.69 0.05 . 1 . . . . . . . . . 6258 1 92 . 1 1 29 29 SER C C 13 174.82 0.2 . 1 . . . . . . . . . 6258 1 93 . 1 1 29 29 SER CA C 13 60.57 0.2 . 1 . . . . . . . . . 6258 1 94 . 1 1 29 29 SER CB C 13 63.35 0.2 . 1 . . . . . . . . . 6258 1 95 . 1 1 29 29 SER N N 15 111.46 0.2 . 1 . . . . . . . . . 6258 1 96 . 1 1 30 30 LYS H H 1 7.13 0.05 . 1 . . . . . . . . . 6258 1 97 . 1 1 30 30 LYS C C 13 174.58 0.2 . 1 . . . . . . . . . 6258 1 98 . 1 1 30 30 LYS CA C 13 52.47 0.2 . 1 . . . . . . . . . 6258 1 99 . 1 1 30 30 LYS CB C 13 32.61 0.2 . 1 . . . . . . . . . 6258 1 100 . 1 1 30 30 LYS N N 15 117.81 0.2 . 1 . . . . . . . . . 6258 1 101 . 1 1 31 31 PHE H H 1 7.44 0.05 . 1 . . . . . . . . . 6258 1 102 . 1 1 31 31 PHE C C 13 174.81 0.2 . 1 . . . . . . . . . 6258 1 103 . 1 1 31 31 PHE CA C 13 53.03 0.2 . 1 . . . . . . . . . 6258 1 104 . 1 1 31 31 PHE CB C 13 37.71 0.2 . 1 . . . . . . . . . 6258 1 105 . 1 1 31 31 PHE N N 15 122.15 0.2 . 1 . . . . . . . . . 6258 1 106 . 1 1 32 32 TYR H H 1 7.57 0.05 . 1 . . . . . . . . . 6258 1 107 . 1 1 32 32 TYR C C 13 176.02 0.2 . 1 . . . . . . . . . 6258 1 108 . 1 1 32 32 TYR CA C 13 58.00 0.2 . 1 . . . . . . . . . 6258 1 109 . 1 1 32 32 TYR CB C 13 38.68 0.2 . 1 . . . . . . . . . 6258 1 110 . 1 1 32 32 TYR N N 15 124.39 0.2 . 1 . . . . . . . . . 6258 1 111 . 1 1 33 33 ASP H H 1 8.33 0.05 . 1 . . . . . . . . . 6258 1 112 . 1 1 33 33 ASP C C 13 173.93 0.2 . 1 . . . . . . . . . 6258 1 113 . 1 1 33 33 ASP CA C 13 52.80 0.2 . 1 . . . . . . . . . 6258 1 114 . 1 1 33 33 ASP CB C 13 39.83 0.2 . 1 . . . . . . . . . 6258 1 115 . 1 1 33 33 ASP N N 15 118.55 0.2 . 1 . . . . . . . . . 6258 1 116 . 1 1 34 34 ALA H H 1 7.09 0.05 . 1 . . . . . . . . . 6258 1 117 . 1 1 34 34 ALA C C 13 179.10 0.2 . 1 . . . . . . . . . 6258 1 118 . 1 1 34 34 ALA CA C 13 55.14 0.2 . 1 . . . . . . . . . 6258 1 119 . 1 1 34 34 ALA CB C 13 19.04 0.2 . 1 . . . . . . . . . 6258 1 120 . 1 1 34 34 ALA N N 15 121.89 0.2 . 1 . . . . . . . . . 6258 1 121 . 1 1 35 35 SER H H 1 8.36 0.05 . 1 . . . . . . . . . 6258 1 122 . 1 1 35 35 SER C C 13 176.75 0.2 . 1 . . . . . . . . . 6258 1 123 . 1 1 35 35 SER CA C 13 60.70 0.2 . 1 . . . . . . . . . 6258 1 124 . 1 1 35 35 SER CB C 13 62.56 0.2 . 1 . . . . . . . . . 6258 1 125 . 1 1 35 35 SER N N 15 110.36 0.2 . 1 . . . . . . . . . 6258 1 126 . 1 1 36 36 SER H H 1 7.75 0.05 . 1 . . . . . . . . . 6258 1 127 . 1 1 36 36 SER C C 13 174.15 0.2 . 1 . . . . . . . . . 6258 1 128 . 1 1 36 36 SER CA C 13 60.01 0.2 . 1 . . . . . . . . . 6258 1 129 . 1 1 36 36 SER CB C 13 62.51 0.2 . 1 . . . . . . . . . 6258 1 130 . 1 1 36 36 SER N N 15 118.03 0.2 . 1 . . . . . . . . . 6258 1 131 . 1 1 37 37 TYR H H 1 7.65 0.05 . 1 . . . . . . . . . 6258 1 132 . 1 1 37 37 TYR C C 13 173.93 0.2 . 1 . . . . . . . . . 6258 1 133 . 1 1 37 37 TYR CA C 13 55.99 0.2 . 1 . . . . . . . . . 6258 1 134 . 1 1 37 37 TYR CB C 13 40.43 0.2 . 1 . . . . . . . . . 6258 1 135 . 1 1 37 37 TYR N N 15 119.10 0.2 . 1 . . . . . . . . . 6258 1 136 . 1 1 38 38 ALA H H 1 6.94 0.05 . 1 . . . . . . . . . 6258 1 137 . 1 1 38 38 ALA C C 13 178.39 0.2 . 1 . . . . . . . . . 6258 1 138 . 1 1 38 38 ALA CA C 13 53.66 0.2 . 1 . . . . . . . . . 6258 1 139 . 1 1 38 38 ALA CB C 13 18.04 0.2 . 1 . . . . . . . . . 6258 1 140 . 1 1 38 38 ALA N N 15 121.59 0.2 . 1 . . . . . . . . . 6258 1 141 . 1 1 39 39 GLY H H 1 8.51 0.05 . 1 . . . . . . . . . 6258 1 142 . 1 1 39 39 GLY C C 13 174.14 0.2 . 1 . . . . . . . . . 6258 1 143 . 1 1 39 39 GLY CA C 13 44.94 0.2 . 1 . . . . . . . . . 6258 1 144 . 1 1 39 39 GLY N N 15 112.22 0.2 . 1 . . . . . . . . . 6258 1 145 . 1 1 40 40 LYS H H 1 8.03 0.05 . 1 . . . . . . . . . 6258 1 146 . 1 1 40 40 LYS C C 13 174.95 0.2 . 1 . . . . . . . . . 6258 1 147 . 1 1 40 40 LYS CA C 13 53.99 0.2 . 1 . . . . . . . . . 6258 1 148 . 1 1 40 40 LYS CB C 13 34.96 0.2 . 1 . . . . . . . . . 6258 1 149 . 1 1 40 40 LYS N N 15 120.98 0.2 . 1 . . . . . . . . . 6258 1 150 . 1 1 41 41 THR H H 1 8.21 0.05 . 1 . . . . . . . . . 6258 1 151 . 1 1 41 41 THR C C 13 173.95 0.2 . 1 . . . . . . . . . 6258 1 152 . 1 1 41 41 THR CA C 13 60.70 0.2 . 1 . . . . . . . . . 6258 1 153 . 1 1 41 41 THR CB C 13 72.08 0.2 . 1 . . . . . . . . . 6258 1 154 . 1 1 41 41 THR N N 15 113.34 0.2 . 1 . . . . . . . . . 6258 1 155 . 1 1 42 42 CYS H H 1 8.43 0.05 . 1 . . . . . . . . . 6258 1 156 . 1 1 42 42 CYS C C 13 172.64 0.2 . 1 . . . . . . . . . 6258 1 157 . 1 1 42 42 CYS CA C 13 56.34 0.2 . 1 . . . . . . . . . 6258 1 158 . 1 1 42 42 CYS CB C 13 49.71 0.2 . 1 . . . . . . . . . 6258 1 159 . 1 1 42 42 CYS N N 15 122.05 0.2 . 1 . . . . . . . . . 6258 1 160 . 1 1 43 43 THR H H 1 8.78 0.05 . 1 . . . . . . . . . 6258 1 161 . 1 1 43 43 THR C C 13 172.77 0.2 . 1 . . . . . . . . . 6258 1 162 . 1 1 43 43 THR CA C 13 60.21 0.2 . 1 . . . . . . . . . 6258 1 163 . 1 1 43 43 THR CB C 13 70.71 0.2 . 1 . . . . . . . . . 6258 1 164 . 1 1 43 43 THR N N 15 126.54 0.2 . 1 . . . . . . . . . 6258 1 165 . 1 1 44 44 LEU H H 1 9.79 0.05 . 1 . . . . . . . . . 6258 1 166 . 1 1 44 44 LEU C C 13 174.47 0.2 . 1 . . . . . . . . . 6258 1 167 . 1 1 44 44 LEU CA C 13 53.40 0.2 . 1 . . . . . . . . . 6258 1 168 . 1 1 44 44 LEU N N 15 127.51 0.2 . 1 . . . . . . . . . 6258 1 169 . 1 1 45 45 ARG H H 1 8.71 0.05 . 1 . . . . . . . . . 6258 1 170 . 1 1 45 45 ARG C C 13 176.46 0.2 . 1 . . . . . . . . . 6258 1 171 . 1 1 45 45 ARG CA C 13 54.09 0.2 . 1 . . . . . . . . . 6258 1 172 . 1 1 45 45 ARG N N 15 121.60 0.2 . 1 . . . . . . . . . 6258 1 173 . 1 1 46 46 ILE H H 1 8.48 0.05 . 1 . . . . . . . . . 6258 1 174 . 1 1 46 46 ILE C C 13 173.94 0.2 . 1 . . . . . . . . . 6258 1 175 . 1 1 46 46 ILE CA C 13 59.60 0.2 . 1 . . . . . . . . . 6258 1 176 . 1 1 46 46 ILE N N 15 122.60 0.2 . 1 . . . . . . . . . 6258 1 177 . 1 1 47 47 LYS H H 1 7.80 0.05 . 1 . . . . . . . . . 6258 1 178 . 1 1 47 47 LYS C C 13 175.27 0.2 . 1 . . . . . . . . . 6258 1 179 . 1 1 47 47 LYS CA C 13 55.09 0.2 . 1 . . . . . . . . . 6258 1 180 . 1 1 47 47 LYS CB C 13 35.17 0.2 . 1 . . . . . . . . . 6258 1 181 . 1 1 47 47 LYS N N 15 120.0 0.2 . 1 . . . . . . . . . 6258 1 182 . 1 1 48 48 LEU H H 1 8.94 0.05 . 1 . . . . . . . . . 6258 1 183 . 1 1 48 48 LEU C C 13 176.93 0.2 . 1 . . . . . . . . . 6258 1 184 . 1 1 48 48 LEU CA C 13 53.14 0.2 . 1 . . . . . . . . . 6258 1 185 . 1 1 48 48 LEU CB C 13 46.70 0.2 . 1 . . . . . . . . . 6258 1 186 . 1 1 48 48 LEU N N 15 127.46 0.2 . 1 . . . . . . . . . 6258 1 187 . 1 1 49 49 ALA H H 1 9.37 0.05 . 1 . . . . . . . . . 6258 1 188 . 1 1 49 49 ALA CA C 13 50.02 0.2 . 1 . . . . . . . . . 6258 1 189 . 1 1 49 49 ALA N N 15 129.72 0.2 . 1 . . . . . . . . . 6258 1 190 . 1 1 50 50 PRO C C 13 175.52 0.2 . 1 . . . . . . . . . 6258 1 191 . 1 1 50 50 PRO CB C 13 31.40 0.2 . 1 . . . . . . . . . 6258 1 192 . 1 1 51 51 ASP H H 1 7.43 0.05 . 1 . . . . . . . . . 6258 1 193 . 1 1 51 51 ASP C C 13 176.91 0.2 . 1 . . . . . . . . . 6258 1 194 . 1 1 51 51 ASP CA C 13 52.14 0.2 . 1 . . . . . . . . . 6258 1 195 . 1 1 51 51 ASP CB C 13 40.29 0.2 . 1 . . . . . . . . . 6258 1 196 . 1 1 51 51 ASP N N 15 112.47 0.2 . 1 . . . . . . . . . 6258 1 197 . 1 1 52 52 GLY H H 1 8.44 0.05 . 1 . . . . . . . . . 6258 1 198 . 1 1 52 52 GLY C C 13 171.88 0.2 . 1 . . . . . . . . . 6258 1 199 . 1 1 52 52 GLY CA C 13 44.44 0.2 . 1 . . . . . . . . . 6258 1 200 . 1 1 52 52 GLY N N 15 109.21 0.2 . 1 . . . . . . . . . 6258 1 201 . 1 1 53 53 MET H H 1 7.42 0.05 . 1 . . . . . . . . . 6258 1 202 . 1 1 53 53 MET C C 13 175.81 0.2 . 1 . . . . . . . . . 6258 1 203 . 1 1 53 53 MET CA C 13 55.73 0.2 . 1 . . . . . . . . . 6258 1 204 . 1 1 53 53 MET CB C 13 32.74 0.2 . 1 . . . . . . . . . 6258 1 205 . 1 1 53 53 MET N N 15 117.64 0.2 . 1 . . . . . . . . . 6258 1 206 . 1 1 54 54 LEU H H 1 8.69 0.05 . 1 . . . . . . . . . 6258 1 207 . 1 1 54 54 LEU C C 13 176.48 0.2 . 1 . . . . . . . . . 6258 1 208 . 1 1 54 54 LEU CA C 13 54.35 0.2 . 1 . . . . . . . . . 6258 1 209 . 1 1 54 54 LEU CB C 13 41.78 0.2 . 1 . . . . . . . . . 6258 1 210 . 1 1 54 54 LEU N N 15 124.68 0.2 . 1 . . . . . . . . . 6258 1 211 . 1 1 55 55 LEU H H 1 8.93 0.05 . 1 . . . . . . . . . 6258 1 212 . 1 1 55 55 LEU C C 13 177.38 0.2 . 1 . . . . . . . . . 6258 1 213 . 1 1 55 55 LEU CA C 13 55.56 0.2 . 1 . . . . . . . . . 6258 1 214 . 1 1 55 55 LEU CB C 13 42.99 0.2 . 1 . . . . . . . . . 6258 1 215 . 1 1 55 55 LEU N N 15 128.65 0.2 . 1 . . . . . . . . . 6258 1 216 . 1 1 56 56 ASP H H 1 7.78 0.05 . 1 . . . . . . . . . 6258 1 217 . 1 1 56 56 ASP C C 13 173.50 0.2 . 1 . . . . . . . . . 6258 1 218 . 1 1 56 56 ASP CA C 13 52.88 0.2 . 1 . . . . . . . . . 6258 1 219 . 1 1 56 56 ASP CB C 13 44.66 0.2 . 1 . . . . . . . . . 6258 1 220 . 1 1 56 56 ASP N N 15 115.02 0.2 . 1 . . . . . . . . . 6258 1 221 . 1 1 57 57 ILE H H 1 8.04 0.05 . 1 . . . . . . . . . 6258 1 222 . 1 1 57 57 ILE C C 13 172.62 0.2 . 1 . . . . . . . . . 6258 1 223 . 1 1 57 57 ILE CA C 13 60.10 0.2 . 1 . . . . . . . . . 6258 1 224 . 1 1 57 57 ILE CB C 13 40.04 0.2 . 1 . . . . . . . . . 6258 1 225 . 1 1 57 57 ILE N N 15 119.01 0.2 . 1 . . . . . . . . . 6258 1 226 . 1 1 58 58 LYS H H 1 8.31 0.05 . 1 . . . . . . . . . 6258 1 227 . 1 1 58 58 LYS CA C 13 51.99 0.2 . 1 . . . . . . . . . 6258 1 228 . 1 1 58 58 LYS N N 15 125.59 0.2 . 1 . . . . . . . . . 6258 1 229 . 1 1 59 59 PRO C C 13 174.27 0.2 . 1 . . . . . . . . . 6258 1 230 . 1 1 60 60 GLU H H 1 8.28 0.05 . 1 . . . . . . . . . 6258 1 231 . 1 1 60 60 GLU C C 13 176.14 0.2 . 1 . . . . . . . . . 6258 1 232 . 1 1 60 60 GLU CA C 13 55.76 0.2 . 1 . . . . . . . . . 6258 1 233 . 1 1 60 60 GLU CB C 13 61.48 0.2 . 1 . . . . . . . . . 6258 1 234 . 1 1 60 60 GLU N N 15 123.78 0.2 . 1 . . . . . . . . . 6258 1 235 . 1 1 61 61 GLY H H 1 7.57 0.05 . 1 . . . . . . . . . 6258 1 236 . 1 1 61 61 GLY C C 13 171.34 0.2 . 1 . . . . . . . . . 6258 1 237 . 1 1 61 61 GLY CA C 13 44.96 0.2 . 1 . . . . . . . . . 6258 1 238 . 1 1 61 61 GLY N N 15 107.77 0.2 . 1 . . . . . . . . . 6258 1 239 . 1 1 62 62 GLY H H 1 8.3 0.05 . 1 . . . . . . . . . 6258 1 240 . 1 1 62 62 GLY C C 13 174.69 0.2 . 1 . . . . . . . . . 6258 1 241 . 1 1 62 62 GLY CA C 13 43.24 0.2 . 1 . . . . . . . . . 6258 1 242 . 1 1 62 62 GLY N N 15 106.46 0.2 . 1 . . . . . . . . . 6258 1 243 . 1 1 63 63 ASP H H 1 8.36 0.05 . 1 . . . . . . . . . 6258 1 244 . 1 1 63 63 ASP CA C 13 52.04 0.2 . 1 . . . . . . . . . 6258 1 245 . 1 1 63 63 ASP N N 15 122.21 0.2 . 1 . . . . . . . . . 6258 1 246 . 1 1 64 64 PRO C C 13 178.86 0.2 . 1 . . . . . . . . . 6258 1 247 . 1 1 64 64 PRO CB C 13 32.36 0.2 . 1 . . . . . . . . . 6258 1 248 . 1 1 65 65 ALA H H 1 7.90 0.05 . 1 . . . . . . . . . 6258 1 249 . 1 1 65 65 ALA C C 13 180.96 0.2 . 1 . . . . . . . . . 6258 1 250 . 1 1 65 65 ALA CA C 13 54.90 0.2 . 1 . . . . . . . . . 6258 1 251 . 1 1 65 65 ALA CB C 13 18.28 0.2 . 1 . . . . . . . . . 6258 1 252 . 1 1 65 65 ALA N N 15 121.37 0.2 . 1 . . . . . . . . . 6258 1 253 . 1 1 66 66 LEU H H 1 8.62 0.05 . 1 . . . . . . . . . 6258 1 254 . 1 1 66 66 LEU C C 13 178.25 0.2 . 1 . . . . . . . . . 6258 1 255 . 1 1 66 66 LEU CA C 13 56.75 0.2 . 1 . . . . . . . . . 6258 1 256 . 1 1 66 66 LEU CB C 13 40.06 0.2 . 1 . . . . . . . . . 6258 1 257 . 1 1 66 66 LEU N N 15 122.40 0.2 . 1 . . . . . . . . . 6258 1 258 . 1 1 67 67 CYS H H 1 9.04 0.05 . 1 . . . . . . . . . 6258 1 259 . 1 1 67 67 CYS C C 13 176.74 0.2 . 1 . . . . . . . . . 6258 1 260 . 1 1 67 67 CYS CA C 13 55.45 0.2 . 1 . . . . . . . . . 6258 1 261 . 1 1 67 67 CYS CB C 13 37.02 0.2 . 1 . . . . . . . . . 6258 1 262 . 1 1 67 67 CYS N N 15 115.45 0.2 . 1 . . . . . . . . . 6258 1 263 . 1 1 68 68 GLN H H 1 7.86 0.05 . 1 . . . . . . . . . 6258 1 264 . 1 1 68 68 GLN C C 13 178.35 0.2 . 1 . . . . . . . . . 6258 1 265 . 1 1 68 68 GLN CA C 13 58.59 0.2 . 1 . . . . . . . . . 6258 1 266 . 1 1 68 68 GLN CB C 13 28.24 0.2 . 1 . . . . . . . . . 6258 1 267 . 1 1 68 68 GLN N N 15 119.37 0.2 . 1 . . . . . . . . . 6258 1 268 . 1 1 69 69 ALA H H 1 7.46 0.05 . 1 . . . . . . . . . 6258 1 269 . 1 1 69 69 ALA C C 13 180.0 0.2 . 1 . . . . . . . . . 6258 1 270 . 1 1 69 69 ALA CA C 13 54.21 0.2 . 1 . . . . . . . . . 6258 1 271 . 1 1 69 69 ALA CB C 13 18.34 0.2 . 1 . . . . . . . . . 6258 1 272 . 1 1 69 69 ALA N N 15 124.62 0.2 . 1 . . . . . . . . . 6258 1 273 . 1 1 70 70 ALA H H 1 8.59 0.05 . 1 . . . . . . . . . 6258 1 274 . 1 1 70 70 ALA C C 13 178.15 0.2 . 1 . . . . . . . . . 6258 1 275 . 1 1 70 70 ALA CA C 13 54.20 0.2 . 1 . . . . . . . . . 6258 1 276 . 1 1 70 70 ALA CB C 13 16.43 0.2 . 1 . . . . . . . . . 6258 1 277 . 1 1 70 70 ALA N N 15 123.82 0.2 . 1 . . . . . . . . . 6258 1 278 . 1 1 71 71 LEU H H 1 7.80 0.05 . 1 . . . . . . . . . 6258 1 279 . 1 1 71 71 LEU C C 13 178.30 0.2 . 1 . . . . . . . . . 6258 1 280 . 1 1 71 71 LEU CA C 13 57.88 0.2 . 1 . . . . . . . . . 6258 1 281 . 1 1 71 71 LEU CB C 13 42.60 0.2 . 1 . . . . . . . . . 6258 1 282 . 1 1 71 71 LEU N N 15 118.5 0.2 . 1 . . . . . . . . . 6258 1 283 . 1 1 72 72 ALA H H 1 7.24 0.05 . 1 . . . . . . . . . 6258 1 284 . 1 1 72 72 ALA C C 13 180.07 0.2 . 1 . . . . . . . . . 6258 1 285 . 1 1 72 72 ALA CA C 13 54.37 0.2 . 1 . . . . . . . . . 6258 1 286 . 1 1 72 72 ALA CB C 13 17.78 0.2 . 1 . . . . . . . . . 6258 1 287 . 1 1 72 72 ALA N N 15 119.18 0.2 . 1 . . . . . . . . . 6258 1 288 . 1 1 73 73 ALA H H 1 7.38 0.05 . 1 . . . . . . . . . 6258 1 289 . 1 1 73 73 ALA C C 13 179.22 0.2 . 1 . . . . . . . . . 6258 1 290 . 1 1 73 73 ALA CA C 13 54.24 0.2 . 1 . . . . . . . . . 6258 1 291 . 1 1 73 73 ALA CB C 13 17.83 0.2 . 1 . . . . . . . . . 6258 1 292 . 1 1 73 73 ALA N N 15 119.69 0.2 . 1 . . . . . . . . . 6258 1 293 . 1 1 74 74 ALA H H 1 8.23 0.05 . 1 . . . . . . . . . 6258 1 294 . 1 1 74 74 ALA C C 13 178.91 0.2 . 1 . . . . . . . . . 6258 1 295 . 1 1 74 74 ALA CA C 13 54.68 0.2 . 1 . . . . . . . . . 6258 1 296 . 1 1 74 74 ALA CB C 13 18.02 0.2 . 1 . . . . . . . . . 6258 1 297 . 1 1 74 74 ALA N N 15 117.87 0.2 . 1 . . . . . . . . . 6258 1 298 . 1 1 75 75 LYS H H 1 7.71 0.05 . 1 . . . . . . . . . 6258 1 299 . 1 1 75 75 LYS C C 13 177.89 0.2 . 1 . . . . . . . . . 6258 1 300 . 1 1 75 75 LYS CA C 13 58.34 0.2 . 1 . . . . . . . . . 6258 1 301 . 1 1 75 75 LYS CB C 13 32.77 0.2 . 1 . . . . . . . . . 6258 1 302 . 1 1 75 75 LYS N N 15 114.28 0.2 . 1 . . . . . . . . . 6258 1 303 . 1 1 76 76 LEU H H 1 7.29 0.05 . 1 . . . . . . . . . 6258 1 304 . 1 1 76 76 LEU C C 13 177.25 0.2 . 1 . . . . . . . . . 6258 1 305 . 1 1 76 76 LEU CA C 13 54.40 0.2 . 1 . . . . . . . . . 6258 1 306 . 1 1 76 76 LEU CB C 13 43.79 0.2 . 1 . . . . . . . . . 6258 1 307 . 1 1 76 76 LEU N N 15 118.28 0.2 . 1 . . . . . . . . . 6258 1 308 . 1 1 77 77 ALA H H 1 7.17 0.05 . 1 . . . . . . . . . 6258 1 309 . 1 1 77 77 ALA C C 13 176.59 0.2 . 1 . . . . . . . . . 6258 1 310 . 1 1 77 77 ALA CA C 13 51.83 0.2 . 1 . . . . . . . . . 6258 1 311 . 1 1 77 77 ALA CB C 13 20.38 0.2 . 1 . . . . . . . . . 6258 1 312 . 1 1 77 77 ALA N N 15 121.79 0.2 . 1 . . . . . . . . . 6258 1 313 . 1 1 78 78 LYS H H 1 8.56 0.05 . 1 . . . . . . . . . 6258 1 314 . 1 1 78 78 LYS C C 13 174.88 0.2 . 1 . . . . . . . . . 6258 1 315 . 1 1 78 78 LYS CA C 13 53.53 0.2 . 1 . . . . . . . . . 6258 1 316 . 1 1 78 78 LYS CB C 13 31.26 0.2 . 1 . . . . . . . . . 6258 1 317 . 1 1 78 78 LYS N N 15 124.28 0.2 . 1 . . . . . . . . . 6258 1 318 . 1 1 79 79 ILE H H 1 8.34 0.05 . 1 . . . . . . . . . 6258 1 319 . 1 1 79 79 ILE CA C 13 58.43 0.2 . 1 . . . . . . . . . 6258 1 320 . 1 1 79 79 ILE N N 15 129.23 0.2 . 1 . . . . . . . . . 6258 1 321 . 1 1 83 83 PRO C C 13 175.24 0.2 . 1 . . . . . . . . . 6258 1 322 . 1 1 83 83 PRO CB C 13 31.88 0.2 . 1 . . . . . . . . . 6258 1 323 . 1 1 84 84 SER H H 1 6.76 0.05 . 1 . . . . . . . . . 6258 1 324 . 1 1 84 84 SER CA C 13 55.65 0.2 . 1 . . . . . . . . . 6258 1 325 . 1 1 84 84 SER N N 15 108.86 0.2 . 1 . . . . . . . . . 6258 1 326 . 1 1 85 85 GLN CB C 13 27.84 0.2 . 1 . . . . . . . . . 6258 1 327 . 1 1 86 86 ALA H H 1 8.32 0.2 . 1 . . . . . . . . . 6258 1 328 . 1 1 86 86 ALA C C 13 180.49 0.05 . 1 . . . . . . . . . 6258 1 329 . 1 1 86 86 ALA CA C 13 54.60 0.2 . 1 . . . . . . . . . 6258 1 330 . 1 1 86 86 ALA CB C 13 18.21 0.2 . 1 . . . . . . . . . 6258 1 331 . 1 1 86 86 ALA N N 15 120.67 0.2 . 1 . . . . . . . . . 6258 1 332 . 1 1 87 87 VAL H H 1 7.44 0.05 . 1 . . . . . . . . . 6258 1 333 . 1 1 87 87 VAL C C 13 177.27 0.2 . 1 . . . . . . . . . 6258 1 334 . 1 1 87 87 VAL CA C 13 65.62 0.2 . 1 . . . . . . . . . 6258 1 335 . 1 1 87 87 VAL CB C 13 31.56 0.2 . 1 . . . . . . . . . 6258 1 336 . 1 1 87 87 VAL N N 15 117.09 0.2 . 1 . . . . . . . . . 6258 1 337 . 1 1 88 88 TYR H H 1 7.91 0.05 . 1 . . . . . . . . . 6258 1 338 . 1 1 88 88 TYR C C 13 176.53 0.2 . 1 . . . . . . . . . 6258 1 339 . 1 1 88 88 TYR CA C 13 60.89 0.2 . 1 . . . . . . . . . 6258 1 340 . 1 1 88 88 TYR CB C 13 39.10 0.2 . 1 . . . . . . . . . 6258 1 341 . 1 1 88 88 TYR N N 15 120.78 0.2 . 1 . . . . . . . . . 6258 1 342 . 1 1 89 89 GLU H H 1 8.10 0.05 . 1 . . . . . . . . . 6258 1 343 . 1 1 89 89 GLU C C 13 178.69 0.2 . 1 . . . . . . . . . 6258 1 344 . 1 1 89 89 GLU CA C 13 58.68 0.2 . 1 . . . . . . . . . 6258 1 345 . 1 1 89 89 GLU CB C 13 29.39 0.2 . 1 . . . . . . . . . 6258 1 346 . 1 1 89 89 GLU N N 15 114.96 0.2 . 1 . . . . . . . . . 6258 1 347 . 1 1 90 90 VAL H H 1 7.04 0.05 . 1 . . . . . . . . . 6258 1 348 . 1 1 90 90 VAL C C 13 177.11 0.2 . 1 . . . . . . . . . 6258 1 349 . 1 1 90 90 VAL CA C 13 64.35 0.2 . 1 . . . . . . . . . 6258 1 350 . 1 1 90 90 VAL CB C 13 31.30 0.2 . 1 . . . . . . . . . 6258 1 351 . 1 1 90 90 VAL N N 15 114.91 0.2 . 1 . . . . . . . . . 6258 1 352 . 1 1 91 91 PHE H H 1 7.20 0.05 . 1 . . . . . . . . . 6258 1 353 . 1 1 91 91 PHE CA C 13 58.90 0.2 . 1 . . . . . . . . . 6258 1 354 . 1 1 91 91 PHE CB C 13 41.13 0.2 . 1 . . . . . . . . . 6258 1 355 . 1 1 91 91 PHE N N 15 116.57 0.2 . 1 . . . . . . . . . 6258 1 356 . 1 1 95 95 PRO C C 13 174.67 0.2 . 1 . . . . . . . . . 6258 1 357 . 1 1 95 95 PRO CB C 13 31.86 0.2 . 1 . . . . . . . . . 6258 1 358 . 1 1 96 96 LEU H H 1 8.51 0.05 . 1 . . . . . . . . . 6258 1 359 . 1 1 96 96 LEU C C 13 175.11 0.2 . 1 . . . . . . . . . 6258 1 360 . 1 1 96 96 LEU CA C 13 52.11 0.2 . 1 . . . . . . . . . 6258 1 361 . 1 1 96 96 LEU CB C 13 46.55 0.2 . 1 . . . . . . . . . 6258 1 362 . 1 1 96 96 LEU N N 15 121.08 0.2 . 1 . . . . . . . . . 6258 1 363 . 1 1 97 97 ASP H H 1 9.14 0.05 . 1 . . . . . . . . . 6258 1 364 . 1 1 97 97 ASP C C 13 174.83 0.2 . 1 . . . . . . . . . 6258 1 365 . 1 1 97 97 ASP CA C 13 50.99 0.2 . 1 . . . . . . . . . 6258 1 366 . 1 1 97 97 ASP CB C 13 42.17 0.2 . 1 . . . . . . . . . 6258 1 367 . 1 1 97 97 ASP N N 15 121.66 0.2 . 1 . . . . . . . . . 6258 1 368 . 1 1 98 98 PHE H H 1 9.05 0.05 . 1 . . . . . . . . . 6258 1 369 . 1 1 98 98 PHE C C 13 174.2 0.2 . 1 . . . . . . . . . 6258 1 370 . 1 1 98 98 PHE CA C 13 55.93 0.2 . 1 . . . . . . . . . 6258 1 371 . 1 1 98 98 PHE CB C 13 41.26 0.2 . 1 . . . . . . . . . 6258 1 372 . 1 1 98 98 PHE N N 15 119.02 0.2 . 1 . . . . . . . . . 6258 1 373 . 1 1 99 99 LYS H H 1 8.44 0.05 . 1 . . . . . . . . . 6258 1 374 . 1 1 99 99 LYS CA C 13 52.71 0.2 . 1 . . . . . . . . . 6258 1 375 . 1 1 99 99 LYS N N 15 123.65 0.2 . 1 . . . . . . . . . 6258 1 376 . 1 1 100 100 PRO C C 13 176.48 0.2 . 1 . . . . . . . . . 6258 1 377 . 1 1 100 100 PRO CB C 13 31.82 0.2 . 1 . . . . . . . . . 6258 1 378 . 1 1 101 101 HIS H H 1 9.58 0.05 . 1 . . . . . . . . . 6258 1 379 . 1 1 101 101 HIS C C 13 173.97 0.2 . 1 . . . . . . . . . 6258 1 380 . 1 1 101 101 HIS CA C 13 55.69 0.2 . 1 . . . . . . . . . 6258 1 381 . 1 1 101 101 HIS CB C 13 30.42 0.2 . 1 . . . . . . . . . 6258 1 382 . 1 1 101 101 HIS N N 15 123.99 0.2 . 1 . . . . . . . . . 6258 1 383 . 1 1 102 102 HIS H H 1 7.98 0.05 . 1 . . . . . . . . . 6258 1 384 . 1 1 102 102 HIS CA C 13 56.86 0.2 . 1 . . . . . . . . . 6258 1 385 . 1 1 102 102 HIS N N 15 125.86 0.2 . 1 . . . . . . . . . 6258 1 stop_ save_