data_4128 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4128 _Entry.Title ; NMR Backbone Assignments of the Cyanobacterial Transcriptional Factor, SmtB, that Senses the Zinc Concentration in the Cell ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-03-23 _Entry.Accession_date 1998-03-28 _Entry.Last_release_date 1999-02-03 _Entry.Original_release_date 1999-02-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hayato Morita . E. . 4128 2 Takashi Kosada . . . 4128 3 Toshio Yamazaki . . . 4128 4 Yoshimasa Kyogoku . . . 4128 5 Hidenori Hayashi . . . 4128 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4128 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 119 4128 '15N chemical shifts' 116 4128 '1H chemical shifts' 116 4128 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 . . 1999-02-03 1998-03-23 original author . 4128 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4128 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Morita, H., Kosada, T., Yamazaki, T., Kyogoku, Y., Hayashi, H., "NMR Backbone Assignments of the Cyanobacterial Transcriptional Factor, SmtB, that Senses the Zinc Concentration in the Cell," J. Biomol. NMR 12, 453-454 (1998). ; _Citation.Title ; NMR Backbone Assignments of the Cyanobacterial Transcriptional Factor, SmtB, that Senses the Zinc Concentration in the Cell ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 12 _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 453 _Citation.Page_last 454 _Citation.Year 1998 _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 Hayato Morita . E. . 4128 1 2 Takashi Kosada . . . 4128 1 3 Toshio Yamazaki . . . 4128 1 4 Yoshimasa Kyogoku . . . 4128 1 5 Hidenori Hayashi . . . 4128 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cyanobacteria 4128 1 'heavy metal ion sensing' 4128 1 NMR 4128 1 SmtB 4128 1 'transcriptional factor' 4128 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SmtB_dimer _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SmtB_dimer _Assembly.Entry_ID 4128 _Assembly.ID 1 _Assembly.Name 'cyanobacterial metallothionein gene repressor' _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 . _Assembly.Molecular_mass 26790 _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 dimer 4128 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 'SmtB subunit one' 1 $SmtB . . . native . . 1 . . 4128 1 2 'SmtB subunit two' 1 $SmtB . . . native . . 1 . . 4128 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cyanobacterial metallothionein gene repressor' system 4128 1 'SmtB dimer' abbreviation 4128 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'repressor of the cyanobacterial metallothionein gene' 4128 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SmtB _Entity.Sf_category entity _Entity.Sf_framecode SmtB _Entity.Entry_ID 4128 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cyanobacterial metallothionein gene repressor' _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 ; TKPVLQDGETVVCQGTHAAI ASELQAIAPEVAQSLAEFFA VLADPNRLRLLSLLARSELC VGDLAQAIGVSESAVSHQLR SLRNLRLVSYRKQGRHVYYQ LQDHHIVALYQNALDHLQEC R ; _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 121 _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 13395.2 _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 4306 . "transcriptional repressor" . . . . . 100.00 121 100.00 100.00 1.03e-79 . . . . 4128 1 2 no PDB 1R1T . "Crystal Structure Of The Cyanobacterial Metallothionein Repressor Smtb In The Apo-Form" . . . . . 100.00 122 100.00 100.00 1.13e-79 . . . . 4128 1 3 no PDB 1R22 . "Crystal Structure Of The Cyanobacterial Metallothionein Repressor Smtb (C14sC61SC121S MUTANT) IN THE ZN2ALPHA5- Form" . . . . . 100.00 122 97.52 97.52 9.88e-77 . . . . 4128 1 4 no PDB 1R23 . "Crystal Structure Of The Cyanobacterial Metallothionein Repressor Smtb In The Zn1-Form (One Zn(Ii) Per Dimer)" . . . . . 100.00 122 100.00 100.00 1.13e-79 . . . . 4128 1 5 no PDB 1SMT . "Smtb Repressor From Synechococcus Pcc7942" . . . . . 100.00 122 100.00 100.00 1.13e-79 . . . . 4128 1 6 no DBJ BAD78452 . "zinc-responsive repressor ZiaR [Synechococcus elongatus PCC 6301]" . . . . . 100.00 122 100.00 100.00 1.13e-79 . . . . 4128 1 7 no EMBL CAA45872 . "SmtB [Synechococcus elongatus PCC 7942]" . . . . . 100.00 122 100.00 100.00 1.13e-79 . . . . 4128 1 8 no GB AAT01609 . "hypothetical metal-binding protein [Desulfomicrobium norvegicum]" . . . . . 76.03 106 100.00 100.00 4.40e-56 . . . . 4128 1 9 no GB AAT01610 . "hypothetical metal-binding protein, partial [uncultured sulfate-reducing bacterium]" . . . . . 76.03 106 100.00 100.00 4.40e-56 . . . . 4128 1 10 no GB AAT01611 . "hypothetical metal-binding protein, partial [Desulfovibrio vulgaris]" . . . . . 76.03 106 100.00 100.00 4.40e-56 . . . . 4128 1 11 no GB AAT01612 . "hypothetical metal-binding protein [Desulfovibrio desulfuricans]" . . . . . 64.46 78 100.00 100.00 4.44e-44 . . . . 4128 1 12 no GB AAT01613 . "hypothetical metal-binding protein, partial [Desulfococcus multivorans]" . . . . . 76.03 106 100.00 100.00 4.40e-56 . . . . 4128 1 13 no REF WP_011242576 . "MULTISPECIES: transcriptional regulator [Synechococcus]" . . . . . 100.00 122 100.00 100.00 1.13e-79 . . . . 4128 1 14 no SP P30340 . "RecName: Full=Transcriptional repressor SmtB" . . . . . 100.00 122 100.00 100.00 1.13e-79 . . . . 4128 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cyanobacterial metallothionein gene repressor' common 4128 1 SmtB abbreviation 4128 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 . THR . 4128 1 2 . LYS . 4128 1 3 . PRO . 4128 1 4 . VAL . 4128 1 5 . LEU . 4128 1 6 . GLN . 4128 1 7 . ASP . 4128 1 8 . GLY . 4128 1 9 . GLU . 4128 1 10 . THR . 4128 1 11 . VAL . 4128 1 12 . VAL . 4128 1 13 . CYS . 4128 1 14 . GLN . 4128 1 15 . GLY . 4128 1 16 . THR . 4128 1 17 . HIS . 4128 1 18 . ALA . 4128 1 19 . ALA . 4128 1 20 . ILE . 4128 1 21 . ALA . 4128 1 22 . SER . 4128 1 23 . GLU . 4128 1 24 . LEU . 4128 1 25 . GLN . 4128 1 26 . ALA . 4128 1 27 . ILE . 4128 1 28 . ALA . 4128 1 29 . PRO . 4128 1 30 . GLU . 4128 1 31 . VAL . 4128 1 32 . ALA . 4128 1 33 . GLN . 4128 1 34 . SER . 4128 1 35 . LEU . 4128 1 36 . ALA . 4128 1 37 . GLU . 4128 1 38 . PHE . 4128 1 39 . PHE . 4128 1 40 . ALA . 4128 1 41 . VAL . 4128 1 42 . LEU . 4128 1 43 . ALA . 4128 1 44 . ASP . 4128 1 45 . PRO . 4128 1 46 . ASN . 4128 1 47 . ARG . 4128 1 48 . LEU . 4128 1 49 . ARG . 4128 1 50 . LEU . 4128 1 51 . LEU . 4128 1 52 . SER . 4128 1 53 . LEU . 4128 1 54 . LEU . 4128 1 55 . ALA . 4128 1 56 . ARG . 4128 1 57 . SER . 4128 1 58 . GLU . 4128 1 59 . LEU . 4128 1 60 . CYS . 4128 1 61 . VAL . 4128 1 62 . GLY . 4128 1 63 . ASP . 4128 1 64 . LEU . 4128 1 65 . ALA . 4128 1 66 . GLN . 4128 1 67 . ALA . 4128 1 68 . ILE . 4128 1 69 . GLY . 4128 1 70 . VAL . 4128 1 71 . SER . 4128 1 72 . GLU . 4128 1 73 . SER . 4128 1 74 . ALA . 4128 1 75 . VAL . 4128 1 76 . SER . 4128 1 77 . HIS . 4128 1 78 . GLN . 4128 1 79 . LEU . 4128 1 80 . ARG . 4128 1 81 . SER . 4128 1 82 . LEU . 4128 1 83 . ARG . 4128 1 84 . ASN . 4128 1 85 . LEU . 4128 1 86 . ARG . 4128 1 87 . LEU . 4128 1 88 . VAL . 4128 1 89 . SER . 4128 1 90 . TYR . 4128 1 91 . ARG . 4128 1 92 . LYS . 4128 1 93 . GLN . 4128 1 94 . GLY . 4128 1 95 . ARG . 4128 1 96 . HIS . 4128 1 97 . VAL . 4128 1 98 . TYR . 4128 1 99 . TYR . 4128 1 100 . GLN . 4128 1 101 . LEU . 4128 1 102 . GLN . 4128 1 103 . ASP . 4128 1 104 . HIS . 4128 1 105 . HIS . 4128 1 106 . ILE . 4128 1 107 . VAL . 4128 1 108 . ALA . 4128 1 109 . LEU . 4128 1 110 . TYR . 4128 1 111 . GLN . 4128 1 112 . ASN . 4128 1 113 . ALA . 4128 1 114 . LEU . 4128 1 115 . ASP . 4128 1 116 . HIS . 4128 1 117 . LEU . 4128 1 118 . GLN . 4128 1 119 . GLU . 4128 1 120 . CYS . 4128 1 121 . ARG . 4128 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 . THR 1 1 4128 1 . LYS 2 2 4128 1 . PRO 3 3 4128 1 . VAL 4 4 4128 1 . LEU 5 5 4128 1 . GLN 6 6 4128 1 . ASP 7 7 4128 1 . GLY 8 8 4128 1 . GLU 9 9 4128 1 . THR 10 10 4128 1 . VAL 11 11 4128 1 . VAL 12 12 4128 1 . CYS 13 13 4128 1 . GLN 14 14 4128 1 . GLY 15 15 4128 1 . THR 16 16 4128 1 . HIS 17 17 4128 1 . ALA 18 18 4128 1 . ALA 19 19 4128 1 . ILE 20 20 4128 1 . ALA 21 21 4128 1 . SER 22 22 4128 1 . GLU 23 23 4128 1 . LEU 24 24 4128 1 . GLN 25 25 4128 1 . ALA 26 26 4128 1 . ILE 27 27 4128 1 . ALA 28 28 4128 1 . PRO 29 29 4128 1 . GLU 30 30 4128 1 . VAL 31 31 4128 1 . ALA 32 32 4128 1 . GLN 33 33 4128 1 . SER 34 34 4128 1 . LEU 35 35 4128 1 . ALA 36 36 4128 1 . GLU 37 37 4128 1 . PHE 38 38 4128 1 . PHE 39 39 4128 1 . ALA 40 40 4128 1 . VAL 41 41 4128 1 . LEU 42 42 4128 1 . ALA 43 43 4128 1 . ASP 44 44 4128 1 . PRO 45 45 4128 1 . ASN 46 46 4128 1 . ARG 47 47 4128 1 . LEU 48 48 4128 1 . ARG 49 49 4128 1 . LEU 50 50 4128 1 . LEU 51 51 4128 1 . SER 52 52 4128 1 . LEU 53 53 4128 1 . LEU 54 54 4128 1 . ALA 55 55 4128 1 . ARG 56 56 4128 1 . SER 57 57 4128 1 . GLU 58 58 4128 1 . LEU 59 59 4128 1 . CYS 60 60 4128 1 . VAL 61 61 4128 1 . GLY 62 62 4128 1 . ASP 63 63 4128 1 . LEU 64 64 4128 1 . ALA 65 65 4128 1 . GLN 66 66 4128 1 . ALA 67 67 4128 1 . ILE 68 68 4128 1 . GLY 69 69 4128 1 . VAL 70 70 4128 1 . SER 71 71 4128 1 . GLU 72 72 4128 1 . SER 73 73 4128 1 . ALA 74 74 4128 1 . VAL 75 75 4128 1 . SER 76 76 4128 1 . HIS 77 77 4128 1 . GLN 78 78 4128 1 . LEU 79 79 4128 1 . ARG 80 80 4128 1 . SER 81 81 4128 1 . LEU 82 82 4128 1 . ARG 83 83 4128 1 . ASN 84 84 4128 1 . LEU 85 85 4128 1 . ARG 86 86 4128 1 . LEU 87 87 4128 1 . VAL 88 88 4128 1 . SER 89 89 4128 1 . TYR 90 90 4128 1 . ARG 91 91 4128 1 . LYS 92 92 4128 1 . GLN 93 93 4128 1 . GLY 94 94 4128 1 . ARG 95 95 4128 1 . HIS 96 96 4128 1 . VAL 97 97 4128 1 . TYR 98 98 4128 1 . TYR 99 99 4128 1 . GLN 100 100 4128 1 . LEU 101 101 4128 1 . GLN 102 102 4128 1 . ASP 103 103 4128 1 . HIS 104 104 4128 1 . HIS 105 105 4128 1 . ILE 106 106 4128 1 . VAL 107 107 4128 1 . ALA 108 108 4128 1 . LEU 109 109 4128 1 . TYR 110 110 4128 1 . GLN 111 111 4128 1 . ASN 112 112 4128 1 . ALA 113 113 4128 1 . LEU 114 114 4128 1 . ASP 115 115 4128 1 . HIS 116 116 4128 1 . LEU 117 117 4128 1 . GLN 118 118 4128 1 . GLU 119 119 4128 1 . CYS 120 120 4128 1 . ARG 121 121 4128 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 4128 _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 $SmtB . 1140 organism . 'Synechococcus PCC7942' Synechococcus . . Eubacteria . Synechococcus PCC7942 . . . . . . . . . . . . . . . . . . . . . 4128 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 4128 _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 $SmtB . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET-21d . Novagen . 'Synechococcus PCC7942' . . 4128 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4128 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cyanobacterial metallothionein gene repressor' [U-15N];[U-13C,U-15N];[15N]-His;[15N]-Lys;[15N]-Arg;[15N]-Val;[15N]-Leu;[15N]-Cys 1 $system_SmtB_dimer . . . . 0.6 . . mM . . . . 4128 1 2 H2O . . . . . . . 90 . . % . . . . 4128 1 3 D2O . . . . . . . 10 . . % . . . . 4128 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4128 _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 6.0 0.05 n/a 4128 1 temperature 313 0.1 K 4128 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4128 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_one 1 $SmtB 95 % 'SDS gel electrophoresis' . 4128 1 stop_ save_ ############################ # Computer software used # ############################ save_software_NMRPipe _Software.Sf_category software _Software.Sf_framecode software_NMRPipe _Software.Entry_ID 4128 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 4128 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking and assignments' 4128 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4128 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4128 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker DMX . 500 . . . 4128 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 4128 _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 . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4128 1 2 'Three-dimensional experiments' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4128 1 3 3D_HNCACB . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4128 1 4 3D_CBCA(CO)NH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4128 1 5 3D_HNCA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4128 1 6 3D_HN(CO)CA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4128 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4128 _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 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.2514495 . . . . . . . . . 4128 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4128 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.1013291 . . . . . . . . . 4128 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4128 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4128 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO CA C 13 63.20 0.25 . 1 . . . . . . . . 4128 1 2 . 1 1 4 4 VAL H H 1 8.21 0.04 . 1 . . . . . . . . 4128 1 3 . 1 1 4 4 VAL CA C 13 62.50 0.25 . 1 . . . . . . . . 4128 1 4 . 1 1 4 4 VAL N N 15 120.68 0.05 . 1 . . . . . . . . 4128 1 5 . 1 1 5 5 LEU H H 1 8.29 0.04 . 1 . . . . . . . . 4128 1 6 . 1 1 5 5 LEU CA C 13 54.87 0.25 . 1 . . . . . . . . 4128 1 7 . 1 1 5 5 LEU N N 15 125.95 0.05 . 1 . . . . . . . . 4128 1 8 . 1 1 6 6 GLN H H 1 8.45 0.04 . 1 . . . . . . . . 4128 1 9 . 1 1 6 6 GLN CA C 13 55.80 0.25 . 1 . . . . . . . . 4128 1 10 . 1 1 6 6 GLN N N 15 121.54 0.05 . 1 . . . . . . . . 4128 1 11 . 1 1 7 7 ASP H H 1 8.42 0.04 . 1 . . . . . . . . 4128 1 12 . 1 1 7 7 ASP CA C 13 54.88 0.25 . 1 . . . . . . . . 4128 1 13 . 1 1 7 7 ASP N N 15 121.95 0.05 . 1 . . . . . . . . 4128 1 14 . 1 1 8 8 GLY H H 1 8.37 0.04 . 1 . . . . . . . . 4128 1 15 . 1 1 8 8 GLY CA C 13 45.60 0.25 . 1 . . . . . . . . 4128 1 16 . 1 1 8 8 GLY N N 15 109.20 0.05 . 1 . . . . . . . . 4128 1 17 . 1 1 9 9 GLU H H 1 8.28 0.04 . 1 . . . . . . . . 4128 1 18 . 1 1 9 9 GLU CA C 13 56.73 0.25 . 1 . . . . . . . . 4128 1 19 . 1 1 9 9 GLU N N 15 120.45 0.05 . 1 . . . . . . . . 4128 1 20 . 1 1 10 10 THR H H 1 8.26 0.04 . 1 . . . . . . . . 4128 1 21 . 1 1 10 10 THR CA C 13 62.38 0.25 . 1 . . . . . . . . 4128 1 22 . 1 1 10 10 THR N N 15 115.70 0.05 . 1 . . . . . . . . 4128 1 23 . 1 1 11 11 VAL H H 1 8.18 0.04 . 1 . . . . . . . . 4128 1 24 . 1 1 11 11 VAL CA C 13 62.38 0.25 . 1 . . . . . . . . 4128 1 25 . 1 1 11 11 VAL N N 15 123.18 0.05 . 1 . . . . . . . . 4128 1 26 . 1 1 12 12 VAL H H 1 8.23 0.04 . 1 . . . . . . . . 4128 1 27 . 1 1 12 12 VAL CA C 13 62.42 0.25 . 1 . . . . . . . . 4128 1 28 . 1 1 12 12 VAL N N 15 123.95 0.05 . 1 . . . . . . . . 4128 1 29 . 1 1 13 13 CYS H H 1 8.46 0.04 . 1 . . . . . . . . 4128 1 30 . 1 1 13 13 CYS CA C 13 58.60 0.25 . 1 . . . . . . . . 4128 1 31 . 1 1 13 13 CYS N N 15 123.36 0.05 . 1 . . . . . . . . 4128 1 32 . 1 1 14 14 GLN H H 1 8.57 0.04 . 1 . . . . . . . . 4128 1 33 . 1 1 14 14 GLN CA C 13 56.28 0.25 . 1 . . . . . . . . 4128 1 34 . 1 1 14 14 GLN N N 15 123.36 0.05 . 1 . . . . . . . . 4128 1 35 . 1 1 15 15 GLY H H 1 8.47 0.04 . 1 . . . . . . . . 4128 1 36 . 1 1 15 15 GLY CA C 13 45.50 0.25 . 1 . . . . . . . . 4128 1 37 . 1 1 15 15 GLY N N 15 110.00 0.05 . 1 . . . . . . . . 4128 1 38 . 1 1 16 16 THR H H 1 8.06 0.04 . 1 . . . . . . . . 4128 1 39 . 1 1 16 16 THR CA C 13 62.00 0.25 . 1 . . . . . . . . 4128 1 40 . 1 1 16 16 THR N N 15 113.58 0.05 . 1 . . . . . . . . 4128 1 41 . 1 1 17 17 HIS H H 1 8.49 0.04 . 1 . . . . . . . . 4128 1 42 . 1 1 17 17 HIS CA C 13 55.80 0.25 . 1 . . . . . . . . 4128 1 43 . 1 1 17 17 HIS N N 15 121.08 0.05 . 1 . . . . . . . . 4128 1 44 . 1 1 18 18 ALA H H 1 8.31 0.04 . 1 . . . . . . . . 4128 1 45 . 1 1 18 18 ALA CA C 13 52.52 0.25 . 1 . . . . . . . . 4128 1 46 . 1 1 18 18 ALA N N 15 125.35 0.05 . 1 . . . . . . . . 4128 1 47 . 1 1 19 19 ALA H H 1 8.31 0.04 . 1 . . . . . . . . 4128 1 48 . 1 1 19 19 ALA CA C 13 52.52 0.25 . 1 . . . . . . . . 4128 1 49 . 1 1 19 19 ALA N N 15 123.72 0.05 . 1 . . . . . . . . 4128 1 50 . 1 1 20 20 ILE H H 1 8.05 0.04 . 1 . . . . . . . . 4128 1 51 . 1 1 20 20 ILE CA C 13 61.10 0.25 . 1 . . . . . . . . 4128 1 52 . 1 1 20 20 ILE N N 15 119.67 0.05 . 1 . . . . . . . . 4128 1 53 . 1 1 21 21 ALA H H 1 8.37 0.04 . 1 . . . . . . . . 4128 1 54 . 1 1 21 21 ALA CA C 13 53.18 0.25 . 1 . . . . . . . . 4128 1 55 . 1 1 21 21 ALA N N 15 127.40 0.05 . 1 . . . . . . . . 4128 1 56 . 1 1 22 22 SER H H 1 8.15 0.04 . 1 . . . . . . . . 4128 1 57 . 1 1 22 22 SER CA C 13 58.90 0.25 . 1 . . . . . . . . 4128 1 58 . 1 1 22 22 SER N N 15 114.13 0.05 . 1 . . . . . . . . 4128 1 59 . 1 1 23 23 GLU H H 1 8.39 0.04 . 1 . . . . . . . . 4128 1 60 . 1 1 23 23 GLU CA C 13 56.74 0.25 . 1 . . . . . . . . 4128 1 61 . 1 1 23 23 GLU N N 15 121.70 0.05 . 1 . . . . . . . . 4128 1 62 . 1 1 24 24 LEU H H 1 8.05 0.04 . 1 . . . . . . . . 4128 1 63 . 1 1 24 24 LEU CA C 13 54.88 0.25 . 1 . . . . . . . . 4128 1 64 . 1 1 24 24 LEU N N 15 122.40 0.05 . 1 . . . . . . . . 4128 1 65 . 1 1 25 25 GLN H H 1 7.99 0.04 . 1 . . . . . . . . 4128 1 66 . 1 1 25 25 GLN CA C 13 54.88 0.25 . 1 . . . . . . . . 4128 1 67 . 1 1 25 25 GLN N N 15 120.96 0.05 . 1 . . . . . . . . 4128 1 68 . 1 1 26 26 ALA H H 1 8.66 0.04 . 1 . . . . . . . . 4128 1 69 . 1 1 26 26 ALA CA C 13 51.09 0.25 . 1 . . . . . . . . 4128 1 70 . 1 1 26 26 ALA N N 15 126.47 0.05 . 1 . . . . . . . . 4128 1 71 . 1 1 27 27 ILE H H 1 7.79 0.04 . 1 . . . . . . . . 4128 1 72 . 1 1 27 27 ILE CA C 13 62.05 0.25 . 1 . . . . . . . . 4128 1 73 . 1 1 27 27 ILE N N 15 115.68 0.05 . 1 . . . . . . . . 4128 1 74 . 1 1 28 28 ALA H H 1 8.57 0.04 . 1 . . . . . . . . 4128 1 75 . 1 1 28 28 ALA CA C 13 50.95 0.25 . 1 . . . . . . . . 4128 1 76 . 1 1 28 28 ALA N N 15 126.68 0.05 . 1 . . . . . . . . 4128 1 77 . 1 1 29 29 PRO CA C 13 66.59 0.25 . 1 . . . . . . . . 4128 1 78 . 1 1 30 30 GLU H H 1 9.82 0.04 . 1 . . . . . . . . 4128 1 79 . 1 1 30 30 GLU CA C 13 60.02 0.25 . 1 . . . . . . . . 4128 1 80 . 1 1 30 30 GLU N N 15 116.90 0.05 . 1 . . . . . . . . 4128 1 81 . 1 1 31 31 VAL H H 1 7.12 0.04 . 1 . . . . . . . . 4128 1 82 . 1 1 31 31 VAL CA C 13 65.35 0.25 . 1 . . . . . . . . 4128 1 83 . 1 1 31 31 VAL N N 15 122.70 0.05 . 1 . . . . . . . . 4128 1 84 . 1 1 32 32 ALA H H 1 8.39 0.04 . 1 . . . . . . . . 4128 1 85 . 1 1 32 32 ALA CA C 13 55.85 0.25 . 1 . . . . . . . . 4128 1 86 . 1 1 32 32 ALA N N 15 122.38 0.05 . 1 . . . . . . . . 4128 1 87 . 1 1 33 33 GLN H H 1 8.43 0.04 . 1 . . . . . . . . 4128 1 88 . 1 1 33 33 GLN CA C 13 59.28 0.25 . 1 . . . . . . . . 4128 1 89 . 1 1 33 33 GLN N N 15 116.86 0.05 . 1 . . . . . . . . 4128 1 90 . 1 1 34 34 SER H H 1 7.66 0.04 . 1 . . . . . . . . 4128 1 91 . 1 1 34 34 SER CA C 13 61.95 0.25 . 1 . . . . . . . . 4128 1 92 . 1 1 34 34 SER N N 15 116.03 0.05 . 1 . . . . . . . . 4128 1 93 . 1 1 35 35 LEU H H 1 8.70 0.04 . 1 . . . . . . . . 4128 1 94 . 1 1 35 35 LEU CA C 13 57.65 0.25 . 1 . . . . . . . . 4128 1 95 . 1 1 35 35 LEU N N 15 123.49 0.05 . 1 . . . . . . . . 4128 1 96 . 1 1 36 36 ALA H H 1 8.54 0.04 . 1 . . . . . . . . 4128 1 97 . 1 1 36 36 ALA CA C 13 56.28 0.25 . 1 . . . . . . . . 4128 1 98 . 1 1 36 36 ALA N N 15 122.60 0.05 . 1 . . . . . . . . 4128 1 99 . 1 1 37 37 GLU H H 1 8.02 0.04 . 1 . . . . . . . . 4128 1 100 . 1 1 37 37 GLU CA C 13 59.09 0.25 . 1 . . . . . . . . 4128 1 101 . 1 1 37 37 GLU N N 15 116.78 0.05 . 1 . . . . . . . . 4128 1 102 . 1 1 38 38 PHE H H 1 7.66 0.04 . 1 . . . . . . . . 4128 1 103 . 1 1 38 38 PHE CA C 13 60.49 0.25 . 1 . . . . . . . . 4128 1 104 . 1 1 38 38 PHE N N 15 120.87 0.05 . 1 . . . . . . . . 4128 1 105 . 1 1 39 39 PHE H H 1 8.38 0.04 . 1 . . . . . . . . 4128 1 106 . 1 1 39 39 PHE CA C 13 61.90 0.25 . 1 . . . . . . . . 4128 1 107 . 1 1 39 39 PHE N N 15 117.57 0.05 . 1 . . . . . . . . 4128 1 108 . 1 1 40 40 ALA H H 1 8.24 0.04 . 1 . . . . . . . . 4128 1 109 . 1 1 40 40 ALA CA C 13 55.20 0.25 . 1 . . . . . . . . 4128 1 110 . 1 1 40 40 ALA N N 15 118.89 0.05 . 1 . . . . . . . . 4128 1 111 . 1 1 41 41 VAL H H 1 7.56 0.04 . 1 . . . . . . . . 4128 1 112 . 1 1 41 41 VAL CA C 13 64.71 0.25 . 1 . . . . . . . . 4128 1 113 . 1 1 41 41 VAL N N 15 117.21 0.05 . 1 . . . . . . . . 4128 1 114 . 1 1 42 42 LEU H H 1 6.91 0.04 . 1 . . . . . . . . 4128 1 115 . 1 1 42 42 LEU CA C 13 54.87 0.25 . 1 . . . . . . . . 4128 1 116 . 1 1 42 42 LEU N N 15 117.58 0.05 . 1 . . . . . . . . 4128 1 117 . 1 1 43 43 ALA H H 1 7.06 0.04 . 1 . . . . . . . . 4128 1 118 . 1 1 43 43 ALA CA C 13 51.58 0.25 . 1 . . . . . . . . 4128 1 119 . 1 1 43 43 ALA N N 15 120.75 0.05 . 1 . . . . . . . . 4128 1 120 . 1 1 44 44 ASP H H 1 8.15 0.04 . 1 . . . . . . . . 4128 1 121 . 1 1 44 44 ASP CA C 13 51.35 0.25 . 1 . . . . . . . . 4128 1 122 . 1 1 44 44 ASP N N 15 121.57 0.05 . 1 . . . . . . . . 4128 1 123 . 1 1 45 45 PRO CA C 13 65.18 0.25 . 1 . . . . . . . . 4128 1 124 . 1 1 46 46 ASN H H 1 8.13 0.04 . 1 . . . . . . . . 4128 1 125 . 1 1 46 46 ASN CA C 13 56.74 0.25 . 1 . . . . . . . . 4128 1 126 . 1 1 46 46 ASN N N 15 116.68 0.05 . 1 . . . . . . . . 4128 1 127 . 1 1 47 47 ARG H H 1 8.33 0.04 . 1 . . . . . . . . 4128 1 128 . 1 1 47 47 ARG CA C 13 60.50 0.25 . 1 . . . . . . . . 4128 1 129 . 1 1 47 47 ARG N N 15 121.46 0.05 . 1 . . . . . . . . 4128 1 130 . 1 1 48 48 LEU H H 1 8.03 0.04 . 1 . . . . . . . . 4128 1 131 . 1 1 48 48 LEU CA C 13 58.14 0.25 . 1 . . . . . . . . 4128 1 132 . 1 1 48 48 LEU N N 15 116.98 0.05 . 1 . . . . . . . . 4128 1 133 . 1 1 49 49 ARG H H 1 8.22 0.04 . 1 . . . . . . . . 4128 1 134 . 1 1 49 49 ARG CA C 13 60.96 0.25 . 1 . . . . . . . . 4128 1 135 . 1 1 49 49 ARG N N 15 119.31 0.05 . 1 . . . . . . . . 4128 1 136 . 1 1 50 50 LEU H H 1 7.54 0.04 . 1 . . . . . . . . 4128 1 137 . 1 1 50 50 LEU CA C 13 59.08 0.25 . 1 . . . . . . . . 4128 1 138 . 1 1 50 50 LEU N N 15 119.95 0.05 . 1 . . . . . . . . 4128 1 139 . 1 1 51 51 LEU H H 1 8.35 0.04 . 1 . . . . . . . . 4128 1 140 . 1 1 51 51 LEU CA C 13 58.62 0.25 . 1 . . . . . . . . 4128 1 141 . 1 1 51 51 LEU N N 15 118.26 0.05 . 1 . . . . . . . . 4128 1 142 . 1 1 52 52 SER H H 1 8.13 0.04 . 1 . . . . . . . . 4128 1 143 . 1 1 52 52 SER CA C 13 61.43 0.25 . 1 . . . . . . . . 4128 1 144 . 1 1 52 52 SER N N 15 112.4 0.05 . 1 . . . . . . . . 4128 1 145 . 1 1 53 53 LEU H H 1 7.13 0.04 . 1 . . . . . . . . 4128 1 146 . 1 1 53 53 LEU CA C 13 57.25 0.25 . 1 . . . . . . . . 4128 1 147 . 1 1 53 53 LEU N N 15 123.07 0.05 . 1 . . . . . . . . 4128 1 148 . 1 1 54 54 LEU H H 1 7.38 0.04 . 1 . . . . . . . . 4128 1 149 . 1 1 54 54 LEU CA C 13 55.33 0.25 . 1 . . . . . . . . 4128 1 150 . 1 1 54 54 LEU N N 15 117.91 0.05 . 1 . . . . . . . . 4128 1 151 . 1 1 55 55 ALA H H 1 8.00 0.04 . 1 . . . . . . . . 4128 1 152 . 1 1 55 55 ALA CA C 13 54.30 0.25 . 1 . . . . . . . . 4128 1 153 . 1 1 55 55 ALA N N 15 119.05 0.05 . 1 . . . . . . . . 4128 1 154 . 1 1 56 56 ARG H H 1 7.54 0.04 . 1 . . . . . . . . 4128 1 155 . 1 1 56 56 ARG CA C 13 56.74 0.25 . 1 . . . . . . . . 4128 1 156 . 1 1 56 56 ARG N N 15 114.72 0.05 . 1 . . . . . . . . 4128 1 157 . 1 1 57 57 SER H H 1 7.72 0.04 . 1 . . . . . . . . 4128 1 158 . 1 1 57 57 SER CA C 13 57.68 0.25 . 1 . . . . . . . . 4128 1 159 . 1 1 57 57 SER N N 15 112.87 0.05 . 1 . . . . . . . . 4128 1 160 . 1 1 58 58 GLU H H 1 8.11 0.04 . 1 . . . . . . . . 4128 1 161 . 1 1 58 58 GLU CA C 13 56.28 0.25 . 1 . . . . . . . . 4128 1 162 . 1 1 58 58 GLU N N 15 121.20 0.05 . 1 . . . . . . . . 4128 1 163 . 1 1 59 59 LEU H H 1 8.36 0.04 . 1 . . . . . . . . 4128 1 164 . 1 1 59 59 LEU CA C 13 54.40 0.25 . 1 . . . . . . . . 4128 1 165 . 1 1 59 59 LEU N N 15 124.90 0.05 . 1 . . . . . . . . 4128 1 166 . 1 1 60 60 CYS H H 1 9.18 0.04 . 1 . . . . . . . . 4128 1 167 . 1 1 60 60 CYS CA C 13 56.28 0.25 . 1 . . . . . . . . 4128 1 168 . 1 1 60 60 CYS N N 15 118.72 0.05 . 1 . . . . . . . . 4128 1 169 . 1 1 61 61 VAL H H 1 8.94 0.04 . 1 . . . . . . . . 4128 1 170 . 1 1 61 61 VAL CA C 13 67.52 0.25 . 1 . . . . . . . . 4128 1 171 . 1 1 61 61 VAL N N 15 121.60 0.05 . 1 . . . . . . . . 4128 1 172 . 1 1 62 62 GLY H H 1 8.76 0.04 . 1 . . . . . . . . 4128 1 173 . 1 1 62 62 GLY CA C 13 47.35 0.25 . 1 . . . . . . . . 4128 1 174 . 1 1 62 62 GLY N N 15 107.55 0.05 . 1 . . . . . . . . 4128 1 175 . 1 1 63 63 ASP H H 1 7.31 0.04 . 1 . . . . . . . . 4128 1 176 . 1 1 63 63 ASP CA C 13 57.21 0.25 . 1 . . . . . . . . 4128 1 177 . 1 1 63 63 ASP N N 15 121.94 0.05 . 1 . . . . . . . . 4128 1 178 . 1 1 64 64 LEU H H 1 7.88 0.04 . 1 . . . . . . . . 4128 1 179 . 1 1 64 64 LEU CA C 13 58.38 0.25 . 1 . . . . . . . . 4128 1 180 . 1 1 64 64 LEU N N 15 120.68 0.05 . 1 . . . . . . . . 4128 1 181 . 1 1 65 65 ALA H H 1 8.59 0.04 . 1 . . . . . . . . 4128 1 182 . 1 1 65 65 ALA CA C 13 55.80 0.25 . 1 . . . . . . . . 4128 1 183 . 1 1 65 65 ALA N N 15 119.79 0.05 . 1 . . . . . . . . 4128 1 184 . 1 1 66 66 GLN H H 1 7.74 0.04 . 1 . . . . . . . . 4128 1 185 . 1 1 66 66 GLN CA C 13 58.61 0.25 . 1 . . . . . . . . 4128 1 186 . 1 1 66 66 GLN N N 15 115.54 0.05 . 1 . . . . . . . . 4128 1 187 . 1 1 67 67 ALA H H 1 7.86 0.04 . 1 . . . . . . . . 4128 1 188 . 1 1 67 67 ALA CA C 13 54.87 0.25 . 1 . . . . . . . . 4128 1 189 . 1 1 67 67 ALA N N 15 120.04 0.05 . 1 . . . . . . . . 4128 1 190 . 1 1 68 68 ILE H H 1 7.76 0.04 . 1 . . . . . . . . 4128 1 191 . 1 1 68 68 ILE CA C 13 60.93 0.25 . 1 . . . . . . . . 4128 1 192 . 1 1 68 68 ILE N N 15 111.12 0.05 . 1 . . . . . . . . 4128 1 193 . 1 1 69 69 GLY H H 1 8.11 0.04 . 1 . . . . . . . . 4128 1 194 . 1 1 69 69 GLY CA C 13 46.90 0.25 . 1 . . . . . . . . 4128 1 195 . 1 1 69 69 GLY N N 15 111.47 0.05 . 1 . . . . . . . . 4128 1 196 . 1 1 70 70 VAL H H 1 7.64 0.04 . 1 . . . . . . . . 4128 1 197 . 1 1 70 70 VAL CA C 13 59.09 0.25 . 1 . . . . . . . . 4128 1 198 . 1 1 70 70 VAL N N 15 112.93 0.05 . 1 . . . . . . . . 4128 1 199 . 1 1 71 71 SER H H 1 8.25 0.04 . 1 . . . . . . . . 4128 1 200 . 1 1 71 71 SER CA C 13 57.87 0.25 . 1 . . . . . . . . 4128 1 201 . 1 1 71 71 SER N N 15 115.12 0.05 . 1 . . . . . . . . 4128 1 202 . 1 1 72 72 GLU H H 1 9.09 0.04 . 1 . . . . . . . . 4128 1 203 . 1 1 72 72 GLU CA C 13 60.73 0.25 . 1 . . . . . . . . 4128 1 204 . 1 1 72 72 GLU N N 15 121.18 0.05 . 1 . . . . . . . . 4128 1 205 . 1 1 73 73 SER H H 1 8.47 0.04 . 1 . . . . . . . . 4128 1 206 . 1 1 73 73 SER CA C 13 61.20 0.25 . 1 . . . . . . . . 4128 1 207 . 1 1 73 73 SER N N 15 114.12 0.05 . 1 . . . . . . . . 4128 1 208 . 1 1 74 74 ALA H H 1 7.86 0.04 . 1 . . . . . . . . 4128 1 209 . 1 1 74 74 ALA CA C 13 55.33 0.25 . 1 . . . . . . . . 4128 1 210 . 1 1 74 74 ALA N N 15 125.95 0.05 . 1 . . . . . . . . 4128 1 211 . 1 1 75 75 VAL H H 1 8.13 0.04 . 1 . . . . . . . . 4128 1 212 . 1 1 75 75 VAL CA C 13 66.40 0.25 . 1 . . . . . . . . 4128 1 213 . 1 1 75 75 VAL N N 15 118.65 0.05 . 1 . . . . . . . . 4128 1 214 . 1 1 76 76 SER H H 1 8.65 0.04 . 1 . . . . . . . . 4128 1 215 . 1 1 76 76 SER CA C 13 62.83 0.25 . 1 . . . . . . . . 4128 1 216 . 1 1 76 76 SER N N 15 117.26 0.05 . 1 . . . . . . . . 4128 1 217 . 1 1 77 77 HIS H H 1 8.43 0.04 . 1 . . . . . . . . 4128 1 218 . 1 1 77 77 HIS CA C 13 59.55 0.25 . 1 . . . . . . . . 4128 1 219 . 1 1 77 77 HIS N N 15 120.85 0.05 . 1 . . . . . . . . 4128 1 220 . 1 1 78 78 GLN H H 1 7.74 0.04 . 1 . . . . . . . . 4128 1 221 . 1 1 78 78 GLN CA C 13 58.80 0.25 . 1 . . . . . . . . 4128 1 222 . 1 1 78 78 GLN N N 15 119.03 0.05 . 1 . . . . . . . . 4128 1 223 . 1 1 79 79 LEU H H 1 8.70 0.04 . 1 . . . . . . . . 4128 1 224 . 1 1 79 79 LEU CA C 13 57.68 0.25 . 1 . . . . . . . . 4128 1 225 . 1 1 79 79 LEU N N 15 119.43 0.05 . 1 . . . . . . . . 4128 1 226 . 1 1 80 80 ARG H H 1 7.95 0.04 . 1 . . . . . . . . 4128 1 227 . 1 1 80 80 ARG CA C 13 60.02 0.25 . 1 . . . . . . . . 4128 1 228 . 1 1 80 80 ARG N N 15 120.42 0.05 . 1 . . . . . . . . 4128 1 229 . 1 1 81 81 SER H H 1 7.51 0.04 . 1 . . . . . . . . 4128 1 230 . 1 1 81 81 SER CA C 13 61.90 0.25 . 1 . . . . . . . . 4128 1 231 . 1 1 81 81 SER N N 15 114.40 0.05 . 1 . . . . . . . . 4128 1 232 . 1 1 82 82 LEU H H 1 7.90 0.04 . 1 . . . . . . . . 4128 1 233 . 1 1 82 82 LEU CA C 13 58.04 0.25 . 1 . . . . . . . . 4128 1 234 . 1 1 82 82 LEU N N 15 118.91 0.05 . 1 . . . . . . . . 4128 1 235 . 1 1 83 83 ARG H H 1 8.73 0.04 . 1 . . . . . . . . 4128 1 236 . 1 1 83 83 ARG CA C 13 59.09 0.25 . 1 . . . . . . . . 4128 1 237 . 1 1 83 83 ARG N N 15 122.83 0.05 . 1 . . . . . . . . 4128 1 238 . 1 1 84 84 ASN H H 1 8.27 0.04 . 1 . . . . . . . . 4128 1 239 . 1 1 84 84 ASN CA C 13 56.28 0.25 . 1 . . . . . . . . 4128 1 240 . 1 1 84 84 ASN N N 15 121.72 0.05 . 1 . . . . . . . . 4128 1 241 . 1 1 85 85 LEU H H 1 7.61 0.04 . 1 . . . . . . . . 4128 1 242 . 1 1 85 85 LEU CA C 13 54.87 0.25 . 1 . . . . . . . . 4128 1 243 . 1 1 85 85 LEU N N 15 118.10 0.05 . 1 . . . . . . . . 4128 1 244 . 1 1 86 86 ARG H H 1 8.23 0.04 . 1 . . . . . . . . 4128 1 245 . 1 1 86 86 ARG CA C 13 57.21 0.25 . 1 . . . . . . . . 4128 1 246 . 1 1 86 86 ARG N N 15 114.16 0.05 . 1 . . . . . . . . 4128 1 247 . 1 1 87 87 LEU H H 1 8.13 0.04 . 1 . . . . . . . . 4128 1 248 . 1 1 87 87 LEU CA C 13 55.90 0.25 . 1 . . . . . . . . 4128 1 249 . 1 1 87 87 LEU N N 15 112.40 0.05 . 1 . . . . . . . . 4128 1 250 . 1 1 88 88 VAL H H 1 7.10 0.04 . 1 . . . . . . . . 4128 1 251 . 1 1 88 88 VAL CA C 13 58.60 0.25 . 1 . . . . . . . . 4128 1 252 . 1 1 88 88 VAL N N 15 110.65 0.05 . 1 . . . . . . . . 4128 1 253 . 1 1 89 89 SER H H 1 9.14 0.04 . 1 . . . . . . . . 4128 1 254 . 1 1 89 89 SER CA C 13 56.50 0.25 . 1 . . . . . . . . 4128 1 255 . 1 1 89 89 SER N N 15 118.26 0.05 . 1 . . . . . . . . 4128 1 256 . 1 1 90 90 TYR H H 1 7.99 0.04 . 1 . . . . . . . . 4128 1 257 . 1 1 90 90 TYR CA C 13 55.32 0.25 . 1 . . . . . . . . 4128 1 258 . 1 1 90 90 TYR N N 15 115.92 0.05 . 1 . . . . . . . . 4128 1 259 . 1 1 91 91 ARG H H 1 8.88 0.04 . 1 . . . . . . . . 4128 1 260 . 1 1 91 91 ARG CA C 13 54.63 0.25 . 1 . . . . . . . . 4128 1 261 . 1 1 91 91 ARG N N 15 119.42 0.05 . 1 . . . . . . . . 4128 1 262 . 1 1 92 92 LYS H H 1 8.86 0.04 . 1 . . . . . . . . 4128 1 263 . 1 1 92 92 LYS CA C 13 55.80 0.25 . 1 . . . . . . . . 4128 1 264 . 1 1 92 92 LYS N N 15 124.12 0.05 . 1 . . . . . . . . 4128 1 265 . 1 1 93 93 GLN H H 1 8.84 0.04 . 1 . . . . . . . . 4128 1 266 . 1 1 93 93 GLN CA C 13 55.50 0.25 . 1 . . . . . . . . 4128 1 267 . 1 1 93 93 GLN N N 15 126.77 0.05 . 1 . . . . . . . . 4128 1 268 . 1 1 94 94 GLY H H 1 8.47 0.04 . 1 . . . . . . . . 4128 1 269 . 1 1 94 94 GLY CA C 13 45.50 0.25 . 1 . . . . . . . . 4128 1 270 . 1 1 94 94 GLY N N 15 110.00 0.05 . 1 . . . . . . . . 4128 1 271 . 1 1 95 95 ARG H H 1 8.49 0.04 . 1 . . . . . . . . 4128 1 272 . 1 1 95 95 ARG CA C 13 56.25 0.25 . 1 . . . . . . . . 4128 1 273 . 1 1 95 95 ARG N N 15 121.08 0.05 . 1 . . . . . . . . 4128 1 274 . 1 1 96 96 HIS H H 1 8.00 0.04 . 1 . . . . . . . . 4128 1 275 . 1 1 96 96 HIS CA C 13 55.75 0.25 . 1 . . . . . . . . 4128 1 276 . 1 1 96 96 HIS N N 15 118.50 0.05 . 1 . . . . . . . . 4128 1 277 . 1 1 97 97 VAL H H 1 8.22 0.04 . 1 . . . . . . . . 4128 1 278 . 1 1 97 97 VAL CA C 13 62.10 0.25 . 1 . . . . . . . . 4128 1 279 . 1 1 97 97 VAL N N 15 122.30 0.05 . 1 . . . . . . . . 4128 1 280 . 1 1 98 98 TYR H H 1 8.87 0.04 . 1 . . . . . . . . 4128 1 281 . 1 1 98 98 TYR CA C 13 57.21 0.25 . 1 . . . . . . . . 4128 1 282 . 1 1 98 98 TYR N N 15 125.12 0.05 . 1 . . . . . . . . 4128 1 283 . 1 1 99 99 TYR H H 1 9.15 0.04 . 1 . . . . . . . . 4128 1 284 . 1 1 99 99 TYR CA C 13 57.86 0.25 . 1 . . . . . . . . 4128 1 285 . 1 1 99 99 TYR N N 15 122.60 0.05 . 1 . . . . . . . . 4128 1 286 . 1 1 100 100 GLN H H 1 8.52 0.04 . 1 . . . . . . . . 4128 1 287 . 1 1 100 100 GLN CA C 13 54.20 0.25 . 1 . . . . . . . . 4128 1 288 . 1 1 100 100 GLN N N 15 113.82 0.05 . 1 . . . . . . . . 4128 1 289 . 1 1 101 101 LEU H H 1 8.81 0.04 . 1 . . . . . . . . 4128 1 290 . 1 1 101 101 LEU CA C 13 55.33 0.25 . 1 . . . . . . . . 4128 1 291 . 1 1 101 101 LEU N N 15 120.91 0.05 . 1 . . . . . . . . 4128 1 292 . 1 1 102 102 GLN H H 1 8.36 0.04 . 1 . . . . . . . . 4128 1 293 . 1 1 102 102 GLN CA C 13 58.15 0.25 . 1 . . . . . . . . 4128 1 294 . 1 1 102 102 GLN N N 15 121.40 0.05 . 1 . . . . . . . . 4128 1 295 . 1 1 103 103 ASP H H 1 7.26 0.04 . 1 . . . . . . . . 4128 1 296 . 1 1 103 103 ASP CA C 13 53.00 0.25 . 1 . . . . . . . . 4128 1 297 . 1 1 103 103 ASP N N 15 109.70 0.05 . 1 . . . . . . . . 4128 1 298 . 1 1 104 104 HIS H H 1 8.11 0.04 . 1 . . . . . . . . 4128 1 299 . 1 1 104 104 HIS CA C 13 58.15 0.25 . 1 . . . . . . . . 4128 1 300 . 1 1 104 104 HIS N N 15 120.66 0.05 . 1 . . . . . . . . 4128 1 301 . 1 1 105 105 HIS H H 1 8.42 0.04 . 1 . . . . . . . . 4128 1 302 . 1 1 105 105 HIS CA C 13 58.30 0.25 . 1 . . . . . . . . 4128 1 303 . 1 1 105 105 HIS N N 15 120.33 0.05 . 1 . . . . . . . . 4128 1 304 . 1 1 106 106 ILE H H 1 7.92 0.04 . 1 . . . . . . . . 4128 1 305 . 1 1 106 106 ILE CA C 13 63.30 0.25 . 1 . . . . . . . . 4128 1 306 . 1 1 106 106 ILE N N 15 117.59 0.05 . 1 . . . . . . . . 4128 1 307 . 1 1 107 107 VAL H H 1 6.99 0.04 . 1 . . . . . . . . 4128 1 308 . 1 1 107 107 VAL CA C 13 66.59 0.25 . 1 . . . . . . . . 4128 1 309 . 1 1 107 107 VAL N N 15 118.90 0.05 . 1 . . . . . . . . 4128 1 310 . 1 1 108 108 ALA H H 1 7.67 0.04 . 1 . . . . . . . . 4128 1 311 . 1 1 108 108 ALA CA C 13 55.07 0.25 . 1 . . . . . . . . 4128 1 312 . 1 1 108 108 ALA N N 15 120.35 0.05 . 1 . . . . . . . . 4128 1 313 . 1 1 109 109 LEU H H 1 8.39 0.04 . 1 . . . . . . . . 4128 1 314 . 1 1 109 109 LEU CA C 13 59.20 0.25 . 1 . . . . . . . . 4128 1 315 . 1 1 109 109 LEU N N 15 120.90 0.05 . 1 . . . . . . . . 4128 1 316 . 1 1 110 110 TYR H H 1 8.24 0.04 . 1 . . . . . . . . 4128 1 317 . 1 1 110 110 TYR CA C 13 61.90 0.25 . 1 . . . . . . . . 4128 1 318 . 1 1 110 110 TYR N N 15 121.02 0.05 . 1 . . . . . . . . 4128 1 319 . 1 1 111 111 GLN H H 1 8.44 0.04 . 1 . . . . . . . . 4128 1 320 . 1 1 111 111 GLN CA C 13 58.62 0.25 . 1 . . . . . . . . 4128 1 321 . 1 1 111 111 GLN N N 15 118.60 0.05 . 1 . . . . . . . . 4128 1 322 . 1 1 112 112 ASN H H 1 8.64 0.04 . 1 . . . . . . . . 4128 1 323 . 1 1 112 112 ASN CA C 13 57.21 0.25 . 1 . . . . . . . . 4128 1 324 . 1 1 112 112 ASN N N 15 116.28 0.05 . 1 . . . . . . . . 4128 1 325 . 1 1 113 113 ALA H H 1 8.22 0.04 . 1 . . . . . . . . 4128 1 326 . 1 1 113 113 ALA CA C 13 55.80 0.25 . 1 . . . . . . . . 4128 1 327 . 1 1 113 113 ALA N N 15 122.30 0.05 . 1 . . . . . . . . 4128 1 328 . 1 1 114 114 LEU H H 1 7.97 0.04 . 1 . . . . . . . . 4128 1 329 . 1 1 114 114 LEU CA C 13 58.15 0.25 . 1 . . . . . . . . 4128 1 330 . 1 1 114 114 LEU N N 15 118.80 0.05 . 1 . . . . . . . . 4128 1 331 . 1 1 115 115 ASP H H 1 8.53 0.04 . 1 . . . . . . . . 4128 1 332 . 1 1 115 115 ASP CA C 13 57.40 0.25 . 1 . . . . . . . . 4128 1 333 . 1 1 115 115 ASP N N 15 119.60 0.05 . 1 . . . . . . . . 4128 1 334 . 1 1 116 116 HIS H H 1 7.72 0.04 . 1 . . . . . . . . 4128 1 335 . 1 1 116 116 HIS CA C 13 59.38 0.25 . 1 . . . . . . . . 4128 1 336 . 1 1 116 116 HIS N N 15 117.26 0.05 . 1 . . . . . . . . 4128 1 337 . 1 1 117 117 LEU H H 1 7.75 0.04 . 1 . . . . . . . . 4128 1 338 . 1 1 117 117 LEU CA C 13 57.62 0.25 . 1 . . . . . . . . 4128 1 339 . 1 1 117 117 LEU N N 15 118.73 0.05 . 1 . . . . . . . . 4128 1 340 . 1 1 118 118 GLN H H 1 7.94 0.04 . 1 . . . . . . . . 4128 1 341 . 1 1 118 118 GLN CA C 13 57.68 0.25 . 1 . . . . . . . . 4128 1 342 . 1 1 118 118 GLN N N 15 116.62 0.05 . 1 . . . . . . . . 4128 1 343 . 1 1 119 119 GLU H H 1 7.64 0.04 . 1 . . . . . . . . 4128 1 344 . 1 1 119 119 GLU CA C 13 57.38 0.25 . 1 . . . . . . . . 4128 1 345 . 1 1 119 119 GLU N N 15 117.70 0.05 . 1 . . . . . . . . 4128 1 346 . 1 1 120 120 CYS H H 1 7.60 0.04 . 1 . . . . . . . . 4128 1 347 . 1 1 120 120 CYS CA C 13 59.30 0.25 . 1 . . . . . . . . 4128 1 348 . 1 1 120 120 CYS N N 15 117.73 0.05 . 1 . . . . . . . . 4128 1 349 . 1 1 121 121 ARG H H 1 7.57 0.04 . 1 . . . . . . . . 4128 1 350 . 1 1 121 121 ARG CA C 13 57.87 0.25 . 1 . . . . . . . . 4128 1 351 . 1 1 121 121 ARG N N 15 127.46 0.05 . 1 . . . . . . . . 4128 1 stop_ save_