data_19244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19244 _Entry.Title ; Backbone chemical shifts of isolated Domain 2 from E. coli HisJ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-15 _Entry.Accession_date 2013-05-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Byron Chu . 'C. H.' . 19244 2 Hans Vogel . J. . 19244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 19244 '15N chemical shifts' 94 19244 '1H chemical shifts' 94 19244 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-12-06 2013-05-15 update BMRB 'update entry citation' 19244 1 . . 2013-09-30 2013-05-15 original author 'original release' 19244 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19242 'E. coli apo-HisJ' 19244 BMRB 19243 'Backbone chemical shifts of isolated Domain 1 from E. coli HisJ' 19244 BMRB 19245 'Backbone chemical shifts from E. coli HisJ complexed with Histidine' 19244 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19244 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24036119 _Citation.Full_citation . _Citation.Title 'Role of the Two Structural Domains from the Periplasmic Escherichia coli Histidine-binding Protein HisJ.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 44 _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 31409 _Citation.Page_last 31422 _Citation.Year 2013 _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 Byron Chu . C.H. . 19244 1 2 Timothy Dewolf . . . 19244 1 3 Hans Vogel . J. . 19244 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E. coli' 19244 1 HisJ 19244 1 histidine 19244 1 'Periplasmic binding protein' 19244 1 'structural domain' 19244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19244 _Assembly.ID 1 _Assembly.Name 'Domain 2 from E. coli HisJ' _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Domain 2 from E. coli HisJ' 1 $D2 A . yes native no no . . . 19244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_D2 _Entity.Sf_category entity _Entity.Sf_framecode D2 _Entity.Entry_ID 19244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name D2 _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 ; GGMDSRLVVAKNSDIQPTVE SLKGKRVGVLQGTTQETFGN EHWAPKGIEIVSYQGQDNIY SDLTAGRIDAAFQDEVAASE GFLKQPVGKDYKFGGPSVKD EK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 16204 . HisJ . . . . . 97.06 238 100.00 100.00 3.77e-63 . . . . 19244 1 2 no BMRB 16205 . HisJ . . . . . 97.06 238 100.00 100.00 3.77e-63 . . . . 19244 1 3 no BMRB 19242 . apo-HisJ . . . . . 97.06 241 100.00 100.00 4.96e-63 . . . . 19244 1 4 no BMRB 19245 . Holo-HisJ . . . . . 97.06 241 100.00 100.00 4.96e-63 . . . . 19244 1 5 no PDB 1HPB . "The Bacterial Periplasmic Histidine-Binding Protein: Structure(Slash)function Analysis Of The Ligand-Binding Site And Compariso" . . . . . 97.06 238 97.98 98.99 7.52e-62 . . . . 19244 1 6 no PDB 1HSL . "Refined 1.89 Angstroms Structure Of The Histidine-Binding Protein Complexed With Histidine And Its Relationship With Many Other" . . . . . 97.06 238 97.98 98.99 7.52e-62 . . . . 19244 1 7 no PDB 2M8C . "The Solution Nmr Structure Of E. Coli Apo-hisj" . . . . . 97.06 241 100.00 100.00 4.96e-63 . . . . 19244 1 8 no DBJ BAA16155 . "histidine/lysine/arginine/ornithine transporter subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 9 no DBJ BAB36616 . "histidine transport system histidine-binding periplasmic protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 10 no DBJ BAG66608 . "histidine/lysine/arginine/ornithine transporter subunit [Escherichia coli O111:H-]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 11 no DBJ BAG78142 . "histidine ABC transporter substrate binding component [Escherichia coli SE11]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 12 no DBJ BAI26504 . "histidine/lysine/arginine/ornithine transporter subunit HisJ [Escherichia coli O26:H11 str. 11368]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 13 no EMBL CAA24658 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.06 260 97.98 98.99 3.55e-62 . . . . 19244 1 14 no EMBL CAA24659 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.06 260 97.98 98.99 3.55e-62 . . . . 19244 1 15 no EMBL CAD07586 . "histidine-binding periplasmic protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 97.06 260 96.97 98.99 5.29e-62 . . . . 19244 1 16 no EMBL CAJ55342 . "periplasmic histidine-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 52.94 164 98.15 98.15 9.48e-29 . . . . 19244 1 17 no EMBL CAJ55343 . "periplasmic histidine-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 52.94 164 98.15 98.15 1.02e-28 . . . . 19244 1 18 no GB AAA75578 . "J protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.06 260 97.98 98.99 3.55e-62 . . . . 19244 1 19 no GB AAA85769 . "histidine-binding periplasmic protein HisJ [Escherichia coli]" . . . . . 97.06 260 98.99 98.99 1.40e-62 . . . . 19244 1 20 no GB AAC75369 . "histidine ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 21 no GB AAG57438 . "histidine-binding periplasmic protein of high-affinity histidine transport system [Escherichia coli O157:H7 str. EDL933]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 22 no GB AAL21255 . "histidine transport protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 97.06 260 97.98 98.99 3.55e-62 . . . . 19244 1 23 no PIR AH0800 . "histidine-binding periplasmic protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 97.06 260 96.97 98.99 5.29e-62 . . . . 19244 1 24 no PRF 0809313B . "protein hisJ" . . . . . 97.06 260 97.98 98.99 3.55e-62 . . . . 19244 1 25 no REF NP_311220 . "histidine transport system histidine-binding periplasmic protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 26 no REF NP_416812 . "histidine ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 27 no REF NP_456896 . "histidine ABC transporter substrate-binding protein HisJ [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 97.06 260 96.97 98.99 5.29e-62 . . . . 19244 1 28 no REF NP_461296 . "histidine ABC transporter substrate-binding protein HisJ [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 97.06 260 97.98 98.99 3.55e-62 . . . . 19244 1 29 no REF NP_708191 . "histidine ABC transporter substrate-binding protein HisJ [Shigella flexneri 2a str. 301]" . . . . . 97.06 264 100.00 100.00 5.47e-64 . . . . 19244 1 30 no SP P02910 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 97.06 260 97.98 98.99 3.55e-62 . . . . 19244 1 31 no SP P0AEU0 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 32 no SP P0AEU1 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 1 33 no SP P0AEU2 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 97.06 260 100.00 100.00 1.87e-63 . . . . 19244 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 . GLY . 19244 1 2 . GLY . 19244 1 3 . MET . 19244 1 4 . ASP . 19244 1 5 . SER . 19244 1 6 . ARG . 19244 1 7 . LEU . 19244 1 8 . VAL . 19244 1 9 . VAL . 19244 1 10 . ALA . 19244 1 11 . LYS . 19244 1 12 . ASN . 19244 1 13 . SER . 19244 1 14 . ASP . 19244 1 15 . ILE . 19244 1 16 . GLN . 19244 1 17 . PRO . 19244 1 18 . THR . 19244 1 19 . VAL . 19244 1 20 . GLU . 19244 1 21 . SER . 19244 1 22 . LEU . 19244 1 23 . LYS . 19244 1 24 . GLY . 19244 1 25 . LYS . 19244 1 26 . ARG . 19244 1 27 . VAL . 19244 1 28 . GLY . 19244 1 29 . VAL . 19244 1 30 . LEU . 19244 1 31 . GLN . 19244 1 32 . GLY . 19244 1 33 . THR . 19244 1 34 . THR . 19244 1 35 . GLN . 19244 1 36 . GLU . 19244 1 37 . THR . 19244 1 38 . PHE . 19244 1 39 . GLY . 19244 1 40 . ASN . 19244 1 41 . GLU . 19244 1 42 . HIS . 19244 1 43 . TRP . 19244 1 44 . ALA . 19244 1 45 . PRO . 19244 1 46 . LYS . 19244 1 47 . GLY . 19244 1 48 . ILE . 19244 1 49 . GLU . 19244 1 50 . ILE . 19244 1 51 . VAL . 19244 1 52 . SER . 19244 1 53 . TYR . 19244 1 54 . GLN . 19244 1 55 . GLY . 19244 1 56 . GLN . 19244 1 57 . ASP . 19244 1 58 . ASN . 19244 1 59 . ILE . 19244 1 60 . TYR . 19244 1 61 . SER . 19244 1 62 . ASP . 19244 1 63 . LEU . 19244 1 64 . THR . 19244 1 65 . ALA . 19244 1 66 . GLY . 19244 1 67 . ARG . 19244 1 68 . ILE . 19244 1 69 . ASP . 19244 1 70 . ALA . 19244 1 71 . ALA . 19244 1 72 . PHE . 19244 1 73 . GLN . 19244 1 74 . ASP . 19244 1 75 . GLU . 19244 1 76 . VAL . 19244 1 77 . ALA . 19244 1 78 . ALA . 19244 1 79 . SER . 19244 1 80 . GLU . 19244 1 81 . GLY . 19244 1 82 . PHE . 19244 1 83 . LEU . 19244 1 84 . LYS . 19244 1 85 . GLN . 19244 1 86 . PRO . 19244 1 87 . VAL . 19244 1 88 . GLY . 19244 1 89 . LYS . 19244 1 90 . ASP . 19244 1 91 . TYR . 19244 1 92 . LYS . 19244 1 93 . PHE . 19244 1 94 . GLY . 19244 1 95 . GLY . 19244 1 96 . PRO . 19244 1 97 . SER . 19244 1 98 . VAL . 19244 1 99 . LYS . 19244 1 100 . ASP . 19244 1 101 . GLU . 19244 1 102 . LYS . 19244 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 . GLY 1 1 19244 1 . GLY 2 2 19244 1 . MET 3 3 19244 1 . ASP 4 4 19244 1 . SER 5 5 19244 1 . ARG 6 6 19244 1 . LEU 7 7 19244 1 . VAL 8 8 19244 1 . VAL 9 9 19244 1 . ALA 10 10 19244 1 . LYS 11 11 19244 1 . ASN 12 12 19244 1 . SER 13 13 19244 1 . ASP 14 14 19244 1 . ILE 15 15 19244 1 . GLN 16 16 19244 1 . PRO 17 17 19244 1 . THR 18 18 19244 1 . VAL 19 19 19244 1 . GLU 20 20 19244 1 . SER 21 21 19244 1 . LEU 22 22 19244 1 . LYS 23 23 19244 1 . GLY 24 24 19244 1 . LYS 25 25 19244 1 . ARG 26 26 19244 1 . VAL 27 27 19244 1 . GLY 28 28 19244 1 . VAL 29 29 19244 1 . LEU 30 30 19244 1 . GLN 31 31 19244 1 . GLY 32 32 19244 1 . THR 33 33 19244 1 . THR 34 34 19244 1 . GLN 35 35 19244 1 . GLU 36 36 19244 1 . THR 37 37 19244 1 . PHE 38 38 19244 1 . GLY 39 39 19244 1 . ASN 40 40 19244 1 . GLU 41 41 19244 1 . HIS 42 42 19244 1 . TRP 43 43 19244 1 . ALA 44 44 19244 1 . PRO 45 45 19244 1 . LYS 46 46 19244 1 . GLY 47 47 19244 1 . ILE 48 48 19244 1 . GLU 49 49 19244 1 . ILE 50 50 19244 1 . VAL 51 51 19244 1 . SER 52 52 19244 1 . TYR 53 53 19244 1 . GLN 54 54 19244 1 . GLY 55 55 19244 1 . GLN 56 56 19244 1 . ASP 57 57 19244 1 . ASN 58 58 19244 1 . ILE 59 59 19244 1 . TYR 60 60 19244 1 . SER 61 61 19244 1 . ASP 62 62 19244 1 . LEU 63 63 19244 1 . THR 64 64 19244 1 . ALA 65 65 19244 1 . GLY 66 66 19244 1 . ARG 67 67 19244 1 . ILE 68 68 19244 1 . ASP 69 69 19244 1 . ALA 70 70 19244 1 . ALA 71 71 19244 1 . PHE 72 72 19244 1 . GLN 73 73 19244 1 . ASP 74 74 19244 1 . GLU 75 75 19244 1 . VAL 76 76 19244 1 . ALA 77 77 19244 1 . ALA 78 78 19244 1 . SER 79 79 19244 1 . GLU 80 80 19244 1 . GLY 81 81 19244 1 . PHE 82 82 19244 1 . LEU 83 83 19244 1 . LYS 84 84 19244 1 . GLN 85 85 19244 1 . PRO 86 86 19244 1 . VAL 87 87 19244 1 . GLY 88 88 19244 1 . LYS 89 89 19244 1 . ASP 90 90 19244 1 . TYR 91 91 19244 1 . LYS 92 92 19244 1 . PHE 93 93 19244 1 . GLY 94 94 19244 1 . GLY 95 95 19244 1 . PRO 96 96 19244 1 . SER 97 97 19244 1 . VAL 98 98 19244 1 . LYS 99 99 19244 1 . ASP 100 100 19244 1 . GLU 101 101 19244 1 . LYS 102 102 19244 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 19244 _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 $D2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 19244 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 19244 _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 $D2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-15 . . . . . . 19244 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19244 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2 '[U-13C; U-15N]' . . 1 $D2 . . 1 . . mM . . . . 19244 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19244 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19244 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19244 1 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 19244 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19244 _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' 0 . M 19244 1 pH 7 . pH 19244 1 pressure 1 . atm 19244 1 temperature 298 . K 19244 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19244 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19244 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19244 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19244 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19244 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19244 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19244 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19244 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19244 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19244 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19244 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 19244 _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 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19244 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19244 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19244 1 4 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19244 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19244 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19244 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H chemical shifts were referenced to the methyl signal of DSS, and 15N and 13C chemical shifts were indirectly referenced to DSS (0 ppm for 1H).' 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 0.00 na indirect 0.251449530 . . . . . . . . . 19244 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19244 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19244 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19244 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '3D HNCACB' . . . 19244 1 2 '3D CBCA(CO)NH' . . . 19244 1 3 '3D HNCO' . . . 19244 1 4 '2D 1H-15N HSQC' . . . 19244 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 2 2 GLY C C 13 173.9000 . . 1 . . . . 2 GLY C . 19244 1 2 . 1 1 2 2 GLY CA C 13 45.5200 . . 1 . . . . 2 GLY CA . 19244 1 3 . 1 1 3 3 MET H H 1 8.5300 . . 1 . . . . 3 MET HN . 19244 1 4 . 1 1 3 3 MET C C 13 175.8000 . . 1 . . . . 3 MET C . 19244 1 5 . 1 1 3 3 MET CA C 13 55.1100 . . 1 . . . . 3 MET CA . 19244 1 6 . 1 1 3 3 MET CB C 13 33.0100 . . 1 . . . . 3 MET CB . 19244 1 7 . 1 1 3 3 MET N N 15 119.9000 . . 1 . . . . 3 MET N . 19244 1 8 . 1 1 4 4 ASP H H 1 8.3360 . . 1 . . . . 4 ASP HN . 19244 1 9 . 1 1 4 4 ASP C C 13 175.8000 . . 1 . . . . 4 ASP C . 19244 1 10 . 1 1 4 4 ASP CA C 13 54.5100 . . 1 . . . . 4 ASP CA . 19244 1 11 . 1 1 4 4 ASP CB C 13 41.7000 . . 1 . . . . 4 ASP CB . 19244 1 12 . 1 1 4 4 ASP N N 15 122.3000 . . 1 . . . . 4 ASP N . 19244 1 13 . 1 1 5 5 SER H H 1 8.2930 . . 1 . . . . 5 SER HN . 19244 1 14 . 1 1 5 5 SER C C 13 172.1000 . . 1 . . . . 5 SER C . 19244 1 15 . 1 1 5 5 SER CA C 13 57.8500 . . 1 . . . . 5 SER CA . 19244 1 16 . 1 1 5 5 SER CB C 13 65.6300 . . 1 . . . . 5 SER CB . 19244 1 17 . 1 1 5 5 SER N N 15 117.1000 . . 1 . . . . 5 SER N . 19244 1 18 . 1 1 6 6 ARG H H 1 9.1340 . . 1 . . . . 6 ARG HN . 19244 1 19 . 1 1 6 6 ARG C C 13 174.4000 . . 1 . . . . 6 ARG C . 19244 1 20 . 1 1 6 6 ARG CA C 13 56.0200 . . 1 . . . . 6 ARG CA . 19244 1 21 . 1 1 6 6 ARG CB C 13 35.9700 . . 1 . . . . 6 ARG CB . 19244 1 22 . 1 1 6 6 ARG N N 15 123.6000 . . 1 . . . . 6 ARG N . 19244 1 23 . 1 1 7 7 LEU H H 1 9.2530 . . 1 . . . . 7 LEU HN . 19244 1 24 . 1 1 7 7 LEU C C 13 177.1000 . . 1 . . . . 7 LEU C . 19244 1 25 . 1 1 7 7 LEU CA C 13 54.4100 . . 1 . . . . 7 LEU CA . 19244 1 26 . 1 1 7 7 LEU CB C 13 43.7100 . . 1 . . . . 7 LEU CB . 19244 1 27 . 1 1 7 7 LEU N N 15 123.4000 . . 1 . . . . 7 LEU N . 19244 1 28 . 1 1 8 8 VAL H H 1 9.7290 . . 1 . . . . 8 VAL HN . 19244 1 29 . 1 1 8 8 VAL C C 13 175.7000 . . 1 . . . . 8 VAL C . 19244 1 30 . 1 1 8 8 VAL CA C 13 62.4500 . . 1 . . . . 8 VAL CA . 19244 1 31 . 1 1 8 8 VAL CB C 13 33.3400 . . 1 . . . . 8 VAL CB . 19244 1 32 . 1 1 8 8 VAL N N 15 125.7000 . . 1 . . . . 8 VAL N . 19244 1 33 . 1 1 9 9 VAL H H 1 9.2470 . . 1 . . . . 9 VAL HN . 19244 1 34 . 1 1 9 9 VAL C C 13 174.6000 . . 1 . . . . 9 VAL C . 19244 1 35 . 1 1 9 9 VAL CA C 13 58.6100 . . 1 . . . . 9 VAL CA . 19244 1 36 . 1 1 9 9 VAL CB C 13 37.5900 . . 1 . . . . 9 VAL CB . 19244 1 37 . 1 1 9 9 VAL N N 15 116.6000 . . 1 . . . . 9 VAL N . 19244 1 38 . 1 1 10 10 ALA H H 1 9.0930 . . 1 . . . . 10 ALA HN . 19244 1 39 . 1 1 10 10 ALA C C 13 179.2000 . . 1 . . . . 10 ALA C . 19244 1 40 . 1 1 10 10 ALA CA C 13 53.0900 . . 1 . . . . 10 ALA CA . 19244 1 41 . 1 1 10 10 ALA CB C 13 18.9900 . . 1 . . . . 10 ALA CB . 19244 1 42 . 1 1 10 10 ALA N N 15 123.2000 . . 1 . . . . 10 ALA N . 19244 1 43 . 1 1 11 11 LYS H H 1 7.9970 . . 1 . . . . 11 LYS HN . 19244 1 44 . 1 1 11 11 LYS C C 13 176.8000 . . 1 . . . . 11 LYS C . 19244 1 45 . 1 1 11 11 LYS CA C 13 59.9000 . . 1 . . . . 11 LYS CA . 19244 1 46 . 1 1 11 11 LYS CB C 13 32.3900 . . 1 . . . . 11 LYS CB . 19244 1 47 . 1 1 11 11 LYS N N 15 119.3000 . . 1 . . . . 11 LYS N . 19244 1 48 . 1 1 12 12 ASN C C 13 175.4000 . . 1 . . . . 12 ASN C . 19244 1 49 . 1 1 12 12 ASN CA C 13 52.6400 . . 1 . . . . 12 ASN CA . 19244 1 50 . 1 1 12 12 ASN CB C 13 37.5200 . . 1 . . . . 12 ASN CB . 19244 1 51 . 1 1 13 13 SER H H 1 7.7680 . . 1 . . . . 13 SER HN . 19244 1 52 . 1 1 13 13 SER C C 13 175.8000 . . 1 . . . . 13 SER C . 19244 1 53 . 1 1 13 13 SER CA C 13 58.6800 . . 1 . . . . 13 SER CA . 19244 1 54 . 1 1 13 13 SER CB C 13 64.8600 . . 1 . . . . 13 SER CB . 19244 1 55 . 1 1 13 13 SER N N 15 114.3000 . . 1 . . . . 13 SER N . 19244 1 56 . 1 1 14 14 ASP H H 1 8.6430 . . 1 . . . . 14 ASP HN . 19244 1 57 . 1 1 14 14 ASP C C 13 176.6000 . . 1 . . . . 14 ASP C . 19244 1 58 . 1 1 14 14 ASP CA C 13 53.4400 . . 1 . . . . 14 ASP CA . 19244 1 59 . 1 1 14 14 ASP CB C 13 40.9700 . . 1 . . . . 14 ASP CB . 19244 1 60 . 1 1 14 14 ASP N N 15 127.6000 . . 1 . . . . 14 ASP N . 19244 1 61 . 1 1 15 15 ILE H H 1 7.8850 . . 1 . . . . 15 ILE HN . 19244 1 62 . 1 1 15 15 ILE C C 13 173.9000 . . 1 . . . . 15 ILE C . 19244 1 63 . 1 1 15 15 ILE CA C 13 63.9700 . . 1 . . . . 15 ILE CA . 19244 1 64 . 1 1 15 15 ILE CB C 13 38.4600 . . 1 . . . . 15 ILE CB . 19244 1 65 . 1 1 15 15 ILE N N 15 122.1000 . . 1 . . . . 15 ILE N . 19244 1 66 . 1 1 16 16 GLN H H 1 8.2920 . . 1 . . . . 16 GLN HN . 19244 1 67 . 1 1 16 16 GLN C C 13 174.6000 . . 1 . . . . 16 GLN C . 19244 1 68 . 1 1 16 16 GLN CA C 13 52.0500 . . 1 . . . . 16 GLN CA . 19244 1 69 . 1 1 16 16 GLN CB C 13 31.8200 . . 1 . . . . 16 GLN CB . 19244 1 70 . 1 1 16 16 GLN N N 15 124.4000 . . 1 . . . . 16 GLN N . 19244 1 71 . 1 1 17 17 PRO C C 13 175.0000 . . 1 . . . . 17 PRO C . 19244 1 72 . 1 1 17 17 PRO CA C 13 62.2400 . . 1 . . . . 17 PRO CA . 19244 1 73 . 1 1 18 18 THR H H 1 8.5550 . . 1 . . . . 18 THR HN . 19244 1 74 . 1 1 18 18 THR C C 13 173.9000 . . 1 . . . . 18 THR C . 19244 1 75 . 1 1 18 18 THR CA C 13 58.1500 . . 1 . . . . 18 THR CA . 19244 1 76 . 1 1 18 18 THR CB C 13 71.5500 . . 1 . . . . 18 THR CB . 19244 1 77 . 1 1 18 18 THR N N 15 114.1000 . . 1 . . . . 18 THR N . 19244 1 78 . 1 1 19 19 VAL H H 1 8.8460 . . 1 . . . . 19 VAL HN . 19244 1 79 . 1 1 19 19 VAL C C 13 177.3000 . . 1 . . . . 19 VAL C . 19244 1 80 . 1 1 19 19 VAL CA C 13 66.1200 . . 1 . . . . 19 VAL CA . 19244 1 81 . 1 1 19 19 VAL CB C 13 31.4800 . . 1 . . . . 19 VAL CB . 19244 1 82 . 1 1 19 19 VAL N N 15 121.6000 . . 1 . . . . 19 VAL N . 19244 1 83 . 1 1 20 20 GLU H H 1 8.4980 . . 1 . . . . 20 ALA HN . 19244 1 84 . 1 1 20 20 GLU C C 13 178.4000 . . 1 . . . . 20 ALA C . 19244 1 85 . 1 1 20 20 GLU CA C 13 59.8700 . . 1 . . . . 20 ALA CA . 19244 1 86 . 1 1 20 20 GLU CB C 13 29.0500 . . 1 . . . . 20 ALA CB . 19244 1 87 . 1 1 20 20 GLU N N 15 116.6000 . . 1 . . . . 20 ALA N . 19244 1 88 . 1 1 21 21 SER H H 1 7.4550 . . 1 . . . . 21 SER HN . 19244 1 89 . 1 1 21 21 SER C C 13 176.4000 . . 1 . . . . 21 SER C . 19244 1 90 . 1 1 21 21 SER CA C 13 59.8400 . . 1 . . . . 21 SER CA . 19244 1 91 . 1 1 21 21 SER CB C 13 64.0100 . . 1 . . . . 21 SER CB . 19244 1 92 . 1 1 21 21 SER N N 15 112.6000 . . 1 . . . . 21 SER N . 19244 1 93 . 1 1 22 22 LEU H H 1 7.6510 . . 1 . . . . 22 LEU HN . 19244 1 94 . 1 1 22 22 LEU C C 13 176.5000 . . 1 . . . . 22 LEU C . 19244 1 95 . 1 1 22 22 LEU CA C 13 54.9400 . . 1 . . . . 22 LEU CA . 19244 1 96 . 1 1 22 22 LEU CB C 13 43.6700 . . 1 . . . . 22 LEU CB . 19244 1 97 . 1 1 22 22 LEU N N 15 115.9000 . . 1 . . . . 22 LEU N . 19244 1 98 . 1 1 23 23 LYS H H 1 7.4430 . . 1 . . . . 23 LYS HN . 19244 1 99 . 1 1 23 23 LYS C C 13 178.2000 . . 1 . . . . 23 LYS C . 19244 1 100 . 1 1 23 23 LYS CA C 13 59.3000 . . 1 . . . . 23 LYS CA . 19244 1 101 . 1 1 23 23 LYS CB C 13 31.8800 . . 1 . . . . 23 LYS CB . 19244 1 102 . 1 1 23 23 LYS N N 15 120.5000 . . 1 . . . . 23 LYS N . 19244 1 103 . 1 1 24 24 GLY H H 1 8.5470 . . 1 . . . . 24 GLY HN . 19244 1 104 . 1 1 24 24 GLY C C 13 174.2000 . . 1 . . . . 24 GLY C . 19244 1 105 . 1 1 24 24 GLY CA C 13 45.7500 . . 1 . . . . 24 GLY CA . 19244 1 106 . 1 1 24 24 GLY N N 15 113.6000 . . 1 . . . . 24 GLY N . 19244 1 107 . 1 1 25 25 LYS H H 1 8.5560 . . 1 . . . . 25 LYS HN . 19244 1 108 . 1 1 25 25 LYS C C 13 174.8000 . . 1 . . . . 25 LYS C . 19244 1 109 . 1 1 25 25 LYS CA C 13 54.1600 . . 1 . . . . 25 LYS CA . 19244 1 110 . 1 1 25 25 LYS CB C 13 32.9500 . . 1 . . . . 25 LYS CB . 19244 1 111 . 1 1 25 25 LYS N N 15 120.0000 . . 1 . . . . 25 LYS N . 19244 1 112 . 1 1 26 26 ARG H H 1 9.5300 . . 1 . . . . 26 ARG HN . 19244 1 113 . 1 1 26 26 ARG C C 13 175.9000 . . 1 . . . . 26 ARG C . 19244 1 114 . 1 1 26 26 ARG CA C 13 55.2800 . . 1 . . . . 26 ARG CA . 19244 1 115 . 1 1 26 26 ARG CB C 13 33.2300 . . 1 . . . . 26 ARG CB . 19244 1 116 . 1 1 26 26 ARG N N 15 119.1000 . . 1 . . . . 26 ARG N . 19244 1 117 . 1 1 27 27 VAL H H 1 9.2870 . . 1 . . . . 27 VAL HN . 19244 1 118 . 1 1 27 27 VAL C C 13 175.2000 . . 1 . . . . 27 VAL C . 19244 1 119 . 1 1 27 27 VAL CA C 13 60.6200 . . 1 . . . . 27 VAL CA . 19244 1 120 . 1 1 27 27 VAL CB C 13 34.7300 . . 1 . . . . 27 VAL CB . 19244 1 121 . 1 1 27 27 VAL N N 15 125.7000 . . 1 . . . . 27 VAL N . 19244 1 122 . 1 1 28 28 GLY H H 1 9.3820 . . 1 . . . . 28 GLY HN . 19244 1 123 . 1 1 28 28 GLY C C 13 172.3000 . . 1 . . . . 28 GLY C . 19244 1 124 . 1 1 28 28 GLY CA C 13 45.5100 . . 1 . . . . 28 GLY CA . 19244 1 125 . 1 1 28 28 GLY N N 15 113.5000 . . 1 . . . . 28 GLY N . 19244 1 126 . 1 1 29 29 VAL H H 1 9.2530 . . 1 . . . . 29 VAL HN . 19244 1 127 . 1 1 29 29 VAL C C 13 173.9000 . . 1 . . . . 29 VAL C . 19244 1 128 . 1 1 29 29 VAL CA C 13 58.7500 . . 1 . . . . 29 VAL CA . 19244 1 129 . 1 1 29 29 VAL CB C 13 37.0900 . . 1 . . . . 29 VAL CB . 19244 1 130 . 1 1 29 29 VAL N N 15 115.8000 . . 1 . . . . 29 VAL N . 19244 1 131 . 1 1 30 30 LEU H H 1 9.2210 . . 1 . . . . 30 LEU HN . 19244 1 132 . 1 1 30 30 LEU C C 13 176.8000 . . 1 . . . . 30 LEU C . 19244 1 133 . 1 1 30 30 LEU CA C 13 53.9200 . . 1 . . . . 30 LEU CA . 19244 1 134 . 1 1 30 30 LEU CB C 13 42.4500 . . 1 . . . . 30 LEU CB . 19244 1 135 . 1 1 30 30 LEU N N 15 123.8000 . . 1 . . . . 30 LEU N . 19244 1 136 . 1 1 31 31 GLN H H 1 9.2550 . . 1 . . . . 31 GLN HN . 19244 1 137 . 1 1 31 31 GLN C C 13 176.9000 . . 1 . . . . 31 GLN C . 19244 1 138 . 1 1 31 31 GLN CA C 13 57.1700 . . 1 . . . . 31 GLN CA . 19244 1 139 . 1 1 31 31 GLN CB C 13 28.8100 . . 1 . . . . 31 GLN CB . 19244 1 140 . 1 1 31 31 GLN N N 15 127.3000 . . 1 . . . . 31 GLN N . 19244 1 141 . 1 1 32 32 GLY H H 1 9.4580 . . 1 . . . . 32 GLY HN . 19244 1 142 . 1 1 32 32 GLY C C 13 175.1000 . . 1 . . . . 32 GLY C . 19244 1 143 . 1 1 32 32 GLY CA C 13 45.7700 . . 1 . . . . 32 GLY CA . 19244 1 144 . 1 1 32 32 GLY N N 15 113.1000 . . 1 . . . . 32 GLY N . 19244 1 145 . 1 1 33 33 THR H H 1 7.2630 . . 1 . . . . 33 THR HN . 19244 1 146 . 1 1 33 33 THR C C 13 176.8000 . . 1 . . . . 33 THR C . 19244 1 147 . 1 1 33 33 THR CA C 13 60.5000 . . 1 . . . . 33 THR CA . 19244 1 148 . 1 1 33 33 THR CB C 13 74.2500 . . 1 . . . . 33 THR CB . 19244 1 149 . 1 1 33 33 THR N N 15 107.5000 . . 1 . . . . 33 THR N . 19244 1 150 . 1 1 34 34 THR C C 13 177.3000 . . 1 . . . . 34 THR C . 19244 1 151 . 1 1 34 34 THR CA C 13 64.7400 . . 1 . . . . 34 THR CA . 19244 1 152 . 1 1 34 34 THR CB C 13 68.4200 . . 1 . . . . 34 THR CB . 19244 1 153 . 1 1 35 35 GLN H H 1 7.2690 . . 1 . . . . 35 GLN HN . 19244 1 154 . 1 1 35 35 GLN C C 13 177.9000 . . 1 . . . . 35 GLN C . 19244 1 155 . 1 1 35 35 GLN CA C 13 61.4500 . . 1 . . . . 35 GLN CA . 19244 1 156 . 1 1 35 35 GLN CB C 13 26.5400 . . 1 . . . . 35 GLN CB . 19244 1 157 . 1 1 35 35 GLN N N 15 119.8000 . . 1 . . . . 35 GLN N . 19244 1 158 . 1 1 36 36 GLU H H 1 7.6110 . . 1 . . . . 36 GLU HN . 19244 1 159 . 1 1 36 36 GLU C C 13 177.6000 . . 1 . . . . 36 GLU C . 19244 1 160 . 1 1 36 36 GLU CA C 13 60.2100 . . 1 . . . . 36 GLU CA . 19244 1 161 . 1 1 36 36 GLU CB C 13 29.6400 . . 1 . . . . 36 GLU CB . 19244 1 162 . 1 1 36 36 GLU N N 15 121.4000 . . 1 . . . . 36 GLU N . 19244 1 163 . 1 1 37 37 THR H H 1 8.0110 . . 1 . . . . 37 THR HN . 19244 1 164 . 1 1 37 37 THR C C 13 176.1000 . . 1 . . . . 37 THR C . 19244 1 165 . 1 1 37 37 THR CA C 13 66.6100 . . 1 . . . . 37 THR CA . 19244 1 166 . 1 1 37 37 THR CB C 13 68.5000 . . 1 . . . . 37 THR CB . 19244 1 167 . 1 1 37 37 THR N N 15 116.0000 . . 1 . . . . 37 THR N . 19244 1 168 . 1 1 38 38 PHE H H 1 8.6370 . . 1 . . . . 38 PHE HN . 19244 1 169 . 1 1 38 38 PHE C C 13 178.6000 . . 1 . . . . 38 PHE C . 19244 1 170 . 1 1 38 38 PHE CA C 13 61.5100 . . 1 . . . . 38 PHE CA . 19244 1 171 . 1 1 38 38 PHE CB C 13 39.4400 . . 1 . . . . 38 PHE CB . 19244 1 172 . 1 1 38 38 PHE N N 15 122.1000 . . 1 . . . . 38 PHE N . 19244 1 173 . 1 1 39 39 GLY H H 1 8.9570 . . 1 . . . . 39 GLY HN . 19244 1 174 . 1 1 39 39 GLY C C 13 176.3000 . . 1 . . . . 39 GLY C . 19244 1 175 . 1 1 39 39 GLY CA C 13 47.0800 . . 1 . . . . 39 GLY CA . 19244 1 176 . 1 1 39 39 GLY N N 15 106.4000 . . 1 . . . . 39 GLY N . 19244 1 177 . 1 1 40 40 ASN H H 1 8.8690 . . 1 . . . . 40 ASN HN . 19244 1 178 . 1 1 40 40 ASN C C 13 176.3000 . . 1 . . . . 40 ASN C . 19244 1 179 . 1 1 40 40 ASN CA C 13 55.8400 . . 1 . . . . 40 ASN CA . 19244 1 180 . 1 1 40 40 ASN CB C 13 38.2000 . . 1 . . . . 40 ASN CB . 19244 1 181 . 1 1 40 40 ASN N N 15 122.3000 . . 1 . . . . 40 ASN N . 19244 1 182 . 1 1 41 41 GLU H H 1 7.9620 . . 1 . . . . 41 GLU HN . 19244 1 183 . 1 1 41 41 GLU C C 13 177.8000 . . 1 . . . . 41 GLU C . 19244 1 184 . 1 1 41 41 GLU CA C 13 58.4700 . . 1 . . . . 41 GLU CA . 19244 1 185 . 1 1 41 41 GLU CB C 13 30.3200 . . 1 . . . . 41 GLU CB . 19244 1 186 . 1 1 41 41 GLU N N 15 118.6000 . . 1 . . . . 41 GLU N . 19244 1 187 . 1 1 42 42 HIS H H 1 7.9810 . . 1 . . . . 42 HIS HN . 19244 1 188 . 1 1 42 42 HIS C C 13 175.9000 . . 1 . . . . 42 HIS C . 19244 1 189 . 1 1 42 42 HIS CA C 13 57.3400 . . 1 . . . . 42 HIS CA . 19244 1 190 . 1 1 42 42 HIS CB C 13 31.1600 . . 1 . . . . 42 HIS CB . 19244 1 191 . 1 1 42 42 HIS N N 15 112.1000 . . 1 . . . . 42 HIS N . 19244 1 192 . 1 1 43 43 TRP H H 1 7.7680 . . 1 . . . . 43 TRP HN . 19244 1 193 . 1 1 43 43 TRP C C 13 176.9000 . . 1 . . . . 43 TRP C . 19244 1 194 . 1 1 43 43 TRP CA C 13 55.9300 . . 1 . . . . 43 TRP CA . 19244 1 195 . 1 1 43 43 TRP CB C 13 30.5900 . . 1 . . . . 43 TRP CB . 19244 1 196 . 1 1 43 43 TRP N N 15 119.0000 . . 1 . . . . 43 TRP N . 19244 1 197 . 1 1 44 44 ALA H H 1 8.6920 . . 1 . . . . 44 ALA HN . 19244 1 198 . 1 1 44 44 ALA C C 13 177.7000 . . 1 . . . . 44 ALA C . 19244 1 199 . 1 1 44 44 ALA CA C 13 55.8400 . . 1 . . . . 44 ALA CA . 19244 1 200 . 1 1 44 44 ALA CB C 13 16.7400 . . 1 . . . . 44 ALA CB . 19244 1 201 . 1 1 44 44 ALA N N 15 125.1000 . . 1 . . . . 44 ALA N . 19244 1 202 . 1 1 45 45 PRO C C 13 177.2000 . . 1 . . . . 45 PRO C . 19244 1 203 . 1 1 45 45 PRO CA C 13 65.1400 . . 1 . . . . 45 PRO CA . 19244 1 204 . 1 1 45 45 PRO CB C 13 31.5500 . . 1 . . . . 45 PRO CB . 19244 1 205 . 1 1 46 46 LYS H H 1 7.7200 . . 1 . . . . 46 LYS HN . 19244 1 206 . 1 1 46 46 LYS C C 13 176.4000 . . 1 . . . . 46 LYS C . 19244 1 207 . 1 1 46 46 LYS CA C 13 54.0600 . . 1 . . . . 46 LYS CA . 19244 1 208 . 1 1 46 46 LYS CB C 13 32.5000 . . 1 . . . . 46 LYS CB . 19244 1 209 . 1 1 46 46 LYS N N 15 115.4000 . . 1 . . . . 46 LYS N . 19244 1 210 . 1 1 47 47 GLY H H 1 7.9560 . . 1 . . . . 47 GLY HN . 19244 1 211 . 1 1 47 47 GLY C C 13 174.3000 . . 1 . . . . 47 GLY C . 19244 1 212 . 1 1 47 47 GLY CA C 13 46.2100 . . 1 . . . . 47 GLY CA . 19244 1 213 . 1 1 47 47 GLY N N 15 105.7000 . . 1 . . . . 47 GLY N . 19244 1 214 . 1 1 48 48 ILE H H 1 6.9780 . . 1 . . . . 48 ILE HN . 19244 1 215 . 1 1 48 48 ILE C C 13 174.4000 . . 1 . . . . 48 ILE C . 19244 1 216 . 1 1 48 48 ILE CA C 13 60.8300 . . 1 . . . . 48 ILE CA . 19244 1 217 . 1 1 48 48 ILE CB C 13 38.8800 . . 1 . . . . 48 ILE CB . 19244 1 218 . 1 1 48 48 ILE N N 15 123.8000 . . 1 . . . . 48 ILE N . 19244 1 219 . 1 1 49 49 GLU H H 1 8.2930 . . 1 . . . . 49 GLU HN . 19244 1 220 . 1 1 49 49 GLU C C 13 174.0000 . . 1 . . . . 49 GLU C . 19244 1 221 . 1 1 49 49 GLU CA C 13 56.5800 . . 1 . . . . 49 GLU CA . 19244 1 222 . 1 1 49 49 GLU CB C 13 30.4300 . . 1 . . . . 49 GLU CB . 19244 1 223 . 1 1 49 49 GLU N N 15 128.1000 . . 1 . . . . 49 GLU N . 19244 1 224 . 1 1 50 50 ILE H H 1 8.6920 . . 1 . . . . 50 ILE HN . 19244 1 225 . 1 1 50 50 ILE C C 13 176.1000 . . 1 . . . . 50 ILE C . 19244 1 226 . 1 1 50 50 ILE CA C 13 57.5500 . . 1 . . . . 50 ILE CA . 19244 1 227 . 1 1 50 50 ILE CB C 13 35.4600 . . 1 . . . . 50 ILE CB . 19244 1 228 . 1 1 50 50 ILE N N 15 129.0000 . . 1 . . . . 50 ILE N . 19244 1 229 . 1 1 51 51 VAL H H 1 9.4380 . . 1 . . . . 51 VAL HN . 19244 1 230 . 1 1 51 51 VAL C C 13 174.4000 . . 1 . . . . 51 VAL C . 19244 1 231 . 1 1 51 51 VAL CA C 13 61.5900 . . 1 . . . . 51 VAL CA . 19244 1 232 . 1 1 51 51 VAL CB C 13 33.3900 . . 1 . . . . 51 VAL CB . 19244 1 233 . 1 1 51 51 VAL N N 15 132.3000 . . 1 . . . . 51 VAL N . 19244 1 234 . 1 1 52 52 SER H H 1 8.5850 . . 1 . . . . 52 SER HN . 19244 1 235 . 1 1 52 52 SER C C 13 174.9000 . . 1 . . . . 52 SER C . 19244 1 236 . 1 1 52 52 SER CA C 13 58.0600 . . 1 . . . . 52 SER CA . 19244 1 237 . 1 1 52 52 SER CB C 13 63.9600 . . 1 . . . . 52 SER CB . 19244 1 238 . 1 1 52 52 SER N N 15 122.4000 . . 1 . . . . 52 SER N . 19244 1 239 . 1 1 53 53 TYR H H 1 9.0620 . . 1 . . . . 53 TYR HN . 19244 1 240 . 1 1 53 53 TYR C C 13 175.8000 . . 1 . . . . 53 TYR C . 19244 1 241 . 1 1 53 53 TYR CA C 13 57.6300 . . 1 . . . . 53 TYR CA . 19244 1 242 . 1 1 53 53 TYR CB C 13 42.8500 . . 1 . . . . 53 TYR CB . 19244 1 243 . 1 1 53 53 TYR N N 15 123.1000 . . 1 . . . . 53 TYR N . 19244 1 244 . 1 1 54 54 GLN H H 1 9.0160 . . 1 . . . . 54 GLN HN . 19244 1 245 . 1 1 54 54 GLN C C 13 176.0000 . . 1 . . . . 54 GLN C . 19244 1 246 . 1 1 54 54 GLN CA C 13 57.0800 . . 1 . . . . 54 GLN CA . 19244 1 247 . 1 1 54 54 GLN CB C 13 29.3800 . . 1 . . . . 54 GLN CB . 19244 1 248 . 1 1 54 54 GLN N N 15 119.1000 . . 1 . . . . 54 GLN N . 19244 1 249 . 1 1 55 55 GLY H H 1 7.6370 . . 1 . . . . 55 GLY HN . 19244 1 250 . 1 1 55 55 GLY C C 13 173.5000 . . 1 . . . . 55 GLY C . 19244 1 251 . 1 1 55 55 GLY CA C 13 44.8000 . . 1 . . . . 55 GLY CA . 19244 1 252 . 1 1 55 55 GLY N N 15 106.3000 . . 1 . . . . 55 GLY N . 19244 1 253 . 1 1 56 56 GLN H H 1 8.9420 . . 1 . . . . 56 GLN HN . 19244 1 254 . 1 1 56 56 GLN C C 13 177.1000 . . 1 . . . . 56 GLN C . 19244 1 255 . 1 1 56 56 GLN CA C 13 58.5100 . . 1 . . . . 56 GLN CA . 19244 1 256 . 1 1 56 56 GLN CB C 13 29.1200 . . 1 . . . . 56 GLN CB . 19244 1 257 . 1 1 56 56 GLN N N 15 123.1000 . . 1 . . . . 56 GLN N . 19244 1 258 . 1 1 57 57 ASP H H 1 8.7810 . . 1 . . . . 57 ASP HN . 19244 1 259 . 1 1 57 57 ASP C C 13 178.9000 . . 1 . . . . 57 ASP C . 19244 1 260 . 1 1 57 57 ASP CA C 13 57.2000 . . 1 . . . . 57 ASP CA . 19244 1 261 . 1 1 57 57 ASP CB C 13 39.5600 . . 1 . . . . 57 ASP CB . 19244 1 262 . 1 1 57 57 ASP N N 15 117.6000 . . 1 . . . . 57 ASP N . 19244 1 263 . 1 1 58 58 ASN H H 1 7.6200 . . 1 . . . . 58 ASN HN . 19244 1 264 . 1 1 58 58 ASN C C 13 176.6000 . . 1 . . . . 58 ASN C . 19244 1 265 . 1 1 58 58 ASN CA C 13 55.6000 . . 1 . . . . 58 ASN CA . 19244 1 266 . 1 1 58 58 ASN CB C 13 39.3000 . . 1 . . . . 58 ASN CB . 19244 1 267 . 1 1 58 58 ASN N N 15 116.9000 . . 1 . . . . 58 ASN N . 19244 1 268 . 1 1 59 59 ILE H H 1 6.8620 . . 1 . . . . 59 ILE HN . 19244 1 269 . 1 1 59 59 ILE C C 13 177.2000 . . 1 . . . . 59 ILE C . 19244 1 270 . 1 1 59 59 ILE CA C 13 64.8900 . . 1 . . . . 59 ILE CA . 19244 1 271 . 1 1 59 59 ILE CB C 13 37.0200 . . 1 . . . . 59 ILE CB . 19244 1 272 . 1 1 59 59 ILE N N 15 119.3000 . . 1 . . . . 59 ILE N . 19244 1 273 . 1 1 60 60 TYR H H 1 6.9280 . . 1 . . . . 60 TYR HN . 19244 1 274 . 1 1 60 60 TYR C C 13 178.7000 . . 1 . . . . 60 TYR C . 19244 1 275 . 1 1 60 60 TYR CA C 13 60.6800 . . 1 . . . . 60 TYR CA . 19244 1 276 . 1 1 60 60 TYR CB C 13 36.8200 . . 1 . . . . 60 TYR CB . 19244 1 277 . 1 1 60 60 TYR N N 15 117.1000 . . 1 . . . . 60 TYR N . 19244 1 278 . 1 1 61 61 SER H H 1 8.2070 . . 1 . . . . 61 SER HN . 19244 1 279 . 1 1 61 61 SER C C 13 176.8000 . . 1 . . . . 61 SER C . 19244 1 280 . 1 1 61 61 SER CA C 13 61.6300 . . 1 . . . . 61 SER CA . 19244 1 281 . 1 1 61 61 SER CB C 13 62.3800 . . 1 . . . . 61 SER CB . 19244 1 282 . 1 1 61 61 SER N N 15 116.7000 . . 1 . . . . 61 SER N . 19244 1 283 . 1 1 62 62 ASP H H 1 7.5440 . . 1 . . . . 62 ASP HN . 19244 1 284 . 1 1 62 62 ASP C C 13 178.9000 . . 1 . . . . 62 ASP C . 19244 1 285 . 1 1 62 62 ASP CA C 13 57.1400 . . 1 . . . . 62 ASP CA . 19244 1 286 . 1 1 62 62 ASP CB C 13 38.9500 . . 1 . . . . 62 ASP CB . 19244 1 287 . 1 1 62 62 ASP N N 15 121.5000 . . 1 . . . . 62 ASP N . 19244 1 288 . 1 1 63 63 LEU H H 1 8.4410 . . 1 . . . . 63 LEU HN . 19244 1 289 . 1 1 63 63 LEU C C 13 180.2000 . . 1 . . . . 63 LEU C . 19244 1 290 . 1 1 63 63 LEU CA C 13 58.6700 . . 1 . . . . 63 LEU CA . 19244 1 291 . 1 1 63 63 LEU CB C 13 42.8800 . . 1 . . . . 63 LEU CB . 19244 1 292 . 1 1 63 63 LEU N N 15 123.5000 . . 1 . . . . 63 LEU N . 19244 1 293 . 1 1 64 64 THR H H 1 8.4670 . . 1 . . . . 64 THR HN . 19244 1 294 . 1 1 64 64 THR C C 13 176.7000 . . 1 . . . . 64 THR C . 19244 1 295 . 1 1 64 64 THR CA C 13 64.4500 . . 1 . . . . 64 THR CA . 19244 1 296 . 1 1 64 64 THR CB C 13 69.2300 . . 1 . . . . 64 THR CB . 19244 1 297 . 1 1 64 64 THR N N 15 111.1000 . . 1 . . . . 64 THR N . 19244 1 298 . 1 1 65 65 ALA H H 1 7.4900 . . 1 . . . . 65 ALA HN . 19244 1 299 . 1 1 65 65 ALA C C 13 178.1000 . . 1 . . . . 65 ALA C . 19244 1 300 . 1 1 65 65 ALA CA C 13 52.2000 . . 1 . . . . 65 ALA CA . 19244 1 301 . 1 1 65 65 ALA CB C 13 19.8000 . . 1 . . . . 65 ALA CB . 19244 1 302 . 1 1 65 65 ALA N N 15 121.4000 . . 1 . . . . 65 ALA N . 19244 1 303 . 1 1 66 66 GLY H H 1 7.9840 . . 1 . . . . 66 GLY HN . 19244 1 304 . 1 1 66 66 GLY C C 13 175.2000 . . 1 . . . . 66 GLY C . 19244 1 305 . 1 1 66 66 GLY CA C 13 45.9000 . . 1 . . . . 66 GLY CA . 19244 1 306 . 1 1 66 66 GLY N N 15 107.3000 . . 1 . . . . 66 GLY N . 19244 1 307 . 1 1 67 67 ARG H H 1 8.5190 . . 1 . . . . 67 ARG HN . 19244 1 308 . 1 1 67 67 ARG C C 13 176.7000 . . 1 . . . . 67 ARG C . 19244 1 309 . 1 1 67 67 ARG CA C 13 57.7400 . . 1 . . . . 67 ARG CA . 19244 1 310 . 1 1 67 67 ARG CB C 13 31.5000 . . 1 . . . . 67 ARG CB . 19244 1 311 . 1 1 67 67 ARG N N 15 118.6000 . . 1 . . . . 67 ARG N . 19244 1 312 . 1 1 68 68 ILE H H 1 7.1880 . . 1 . . . . 68 ILE HN . 19244 1 313 . 1 1 68 68 ILE C C 13 173.7000 . . 1 . . . . 68 ILE C . 19244 1 314 . 1 1 68 68 ILE CA C 13 60.3800 . . 1 . . . . 68 ILE CA . 19244 1 315 . 1 1 68 68 ILE CB C 13 41.0500 . . 1 . . . . 68 ILE CB . 19244 1 316 . 1 1 68 68 ILE N N 15 108.4000 . . 1 . . . . 68 ILE N . 19244 1 317 . 1 1 69 69 ASP H H 1 8.8520 . . 1 . . . . 69 ASP HN . 19244 1 318 . 1 1 69 69 ASP C C 13 174.6000 . . 1 . . . . 69 ASP C . 19244 1 319 . 1 1 69 69 ASP CA C 13 56.3000 . . 1 . . . . 69 ASP CA . 19244 1 320 . 1 1 69 69 ASP CB C 13 44.3400 . . 1 . . . . 69 ASP CB . 19244 1 321 . 1 1 69 69 ASP N N 15 118.6000 . . 1 . . . . 69 ASP N . 19244 1 322 . 1 1 70 70 ALA H H 1 7.7410 . . 1 . . . . 70 ALA HN . 19244 1 323 . 1 1 70 70 ALA C C 13 175.0000 . . 1 . . . . 70 ALA C . 19244 1 324 . 1 1 70 70 ALA CA C 13 50.6800 . . 1 . . . . 70 ALA CA . 19244 1 325 . 1 1 70 70 ALA CB C 13 23.8300 . . 1 . . . . 70 ALA CB . 19244 1 326 . 1 1 70 70 ALA N N 15 115.9000 . . 1 . . . . 70 ALA N . 19244 1 327 . 1 1 71 71 ALA H H 1 8.9740 . . 1 . . . . 71 ALA HN . 19244 1 328 . 1 1 71 71 ALA C C 13 175.5000 . . 1 . . . . 71 ALA C . 19244 1 329 . 1 1 71 71 ALA CA C 13 50.1000 . . 1 . . . . 71 ALA CA . 19244 1 330 . 1 1 71 71 ALA CB C 13 21.9800 . . 1 . . . . 71 ALA CB . 19244 1 331 . 1 1 71 71 ALA N N 15 123.0000 . . 1 . . . . 71 ALA N . 19244 1 332 . 1 1 72 72 PHE H H 1 9.1950 . . 1 . . . . 72 PHE HN . 19244 1 333 . 1 1 72 72 PHE C C 13 173.5000 . . 1 . . . . 72 PHE C . 19244 1 334 . 1 1 72 72 PHE CA C 13 54.8200 . . 1 . . . . 72 PHE CA . 19244 1 335 . 1 1 72 72 PHE CB C 13 39.8900 . . 1 . . . . 72 PHE CB . 19244 1 336 . 1 1 72 72 PHE N N 15 125.6000 . . 1 . . . . 72 PHE N . 19244 1 337 . 1 1 73 73 GLN H H 1 8.2640 . . 1 . . . . 73 GLN HN . 19244 1 338 . 1 1 73 73 GLN C C 13 173.9000 . . 1 . . . . 73 GLN C . 19244 1 339 . 1 1 73 73 GLN CA C 13 54.3500 . . 1 . . . . 73 GLN CA . 19244 1 340 . 1 1 73 73 GLN CB C 13 35.6300 . . 1 . . . . 73 GLN CB . 19244 1 341 . 1 1 73 73 GLN N N 15 124.4000 . . 1 . . . . 73 GLN N . 19244 1 342 . 1 1 74 74 ASP H H 1 8.1950 . . 1 . . . . 74 ASP HN . 19244 1 343 . 1 1 74 74 ASP C C 13 176.3000 . . 1 . . . . 74 ASP C . 19244 1 344 . 1 1 74 74 ASP CA C 13 55.5300 . . 1 . . . . 74 ASP CA . 19244 1 345 . 1 1 74 74 ASP CB C 13 42.5800 . . 1 . . . . 74 ASP CB . 19244 1 346 . 1 1 74 74 ASP N N 15 121.3000 . . 1 . . . . 74 ASP N . 19244 1 347 . 1 1 75 75 GLU H H 1 8.5820 . . 1 . . . . 75 GLU HN . 19244 1 348 . 1 1 75 75 GLU C C 13 177.9000 . . 1 . . . . 75 GLU C . 19244 1 349 . 1 1 75 75 GLU CA C 13 60.5100 . . 1 . . . . 75 GLU CA . 19244 1 350 . 1 1 75 75 GLU CB C 13 30.7300 . . 1 . . . . 75 GLU CB . 19244 1 351 . 1 1 75 75 GLU N N 15 127.4000 . . 1 . . . . 75 GLU N . 19244 1 352 . 1 1 76 76 VAL H H 1 8.1680 . . 1 . . . . 76 VAL HN . 19244 1 353 . 1 1 76 76 VAL C C 13 178.2000 . . 1 . . . . 76 VAL C . 19244 1 354 . 1 1 76 76 VAL CA C 13 66.4900 . . 1 . . . . 76 VAL CA . 19244 1 355 . 1 1 76 76 VAL CB C 13 31.3900 . . 1 . . . . 76 VAL CB . 19244 1 356 . 1 1 76 76 VAL N N 15 119.9000 . . 1 . . . . 76 VAL N . 19244 1 357 . 1 1 77 77 ALA H H 1 8.3230 . . 1 . . . . 77 ALA HN . 19244 1 358 . 1 1 77 77 ALA C C 13 182.1000 . . 1 . . . . 77 ALA C . 19244 1 359 . 1 1 77 77 ALA CA C 13 55.0600 . . 1 . . . . 77 ALA CA . 19244 1 360 . 1 1 77 77 ALA CB C 13 18.5700 . . 1 . . . . 77 ALA CB . 19244 1 361 . 1 1 77 77 ALA N N 15 122.4000 . . 1 . . . . 77 ALA N . 19244 1 362 . 1 1 78 78 ALA H H 1 8.2050 . . 1 . . . . 78 ALA HN . 19244 1 363 . 1 1 78 78 ALA C C 13 179.5000 . . 1 . . . . 78 ALA C . 19244 1 364 . 1 1 78 78 ALA CA C 13 54.9300 . . 1 . . . . 78 ALA CA . 19244 1 365 . 1 1 78 78 ALA CB C 13 19.5300 . . 1 . . . . 78 ALA CB . 19244 1 366 . 1 1 78 78 ALA N N 15 119.8000 . . 1 . . . . 78 ALA N . 19244 1 367 . 1 1 79 79 SER H H 1 8.5210 . . 1 . . . . 79 SER HN . 19244 1 368 . 1 1 79 79 SER C C 13 175.6000 . . 1 . . . . 79 SER C . 19244 1 369 . 1 1 79 79 SER CA C 13 61.8800 . . 1 . . . . 79 SER CA . 19244 1 370 . 1 1 79 79 SER CB C 13 63.3800 . . 1 . . . . 79 SER CB . 19244 1 371 . 1 1 79 79 SER N N 15 113.4000 . . 1 . . . . 79 SER N . 19244 1 372 . 1 1 80 80 GLU H H 1 8.4180 . . 1 . . . . 80 GLU HN . 19244 1 373 . 1 1 80 80 GLU C C 13 178.0000 . . 1 . . . . 80 GLU C . 19244 1 374 . 1 1 80 80 GLU CA C 13 57.6000 . . 1 . . . . 80 GLU CA . 19244 1 375 . 1 1 80 80 GLU CB C 13 29.8500 . . 1 . . . . 80 GLU CB . 19244 1 376 . 1 1 80 80 GLU N N 15 115.4000 . . 1 . . . . 80 GLU N . 19244 1 377 . 1 1 81 81 GLY H H 1 7.8320 . . 1 . . . . 81 GLY HN . 19244 1 378 . 1 1 81 81 GLY C C 13 173.7000 . . 1 . . . . 81 GLY C . 19244 1 379 . 1 1 81 81 GLY CA C 13 45.4800 . . 1 . . . . 81 GLY CA . 19244 1 380 . 1 1 81 81 GLY N N 15 105.1000 . . 1 . . . . 81 GLY N . 19244 1 381 . 1 1 82 82 PHE H H 1 7.6870 . . 1 . . . . 82 PHE HN . 19244 1 382 . 1 1 82 82 PHE C C 13 175.4000 . . 1 . . . . 82 PHE C . 19244 1 383 . 1 1 82 82 PHE CA C 13 61.4500 . . 1 . . . . 82 PHE CA . 19244 1 384 . 1 1 82 82 PHE CB C 13 41.1800 . . 1 . . . . 82 PHE CB . 19244 1 385 . 1 1 82 82 PHE N N 15 122.6000 . . 1 . . . . 82 PHE N . 19244 1 386 . 1 1 83 83 LEU H H 1 8.3520 . . 1 . . . . 83 LEU HN . 19244 1 387 . 1 1 83 83 LEU C C 13 178.6000 . . 1 . . . . 83 LEU C . 19244 1 388 . 1 1 83 83 LEU CA C 13 57.8200 . . 1 . . . . 83 LEU CA . 19244 1 389 . 1 1 83 83 LEU CB C 13 41.0600 . . 1 . . . . 83 LEU CB . 19244 1 390 . 1 1 83 83 LEU N N 15 115.2000 . . 1 . . . . 83 LEU N . 19244 1 391 . 1 1 84 84 LYS H H 1 7.9260 . . 1 . . . . 84 LYS HN . 19244 1 392 . 1 1 84 84 LYS C C 13 176.8000 . . 1 . . . . 84 LYS C . 19244 1 393 . 1 1 84 84 LYS CA C 13 56.4300 . . 1 . . . . 84 LYS CA . 19244 1 394 . 1 1 84 84 LYS CB C 13 32.9200 . . 1 . . . . 84 LYS CB . 19244 1 395 . 1 1 84 84 LYS N N 15 115.2000 . . 1 . . . . 84 LYS N . 19244 1 396 . 1 1 85 85 GLN H H 1 7.2390 . . 1 . . . . 85 GLN HN . 19244 1 397 . 1 1 85 85 GLN C C 13 176.1000 . . 1 . . . . 85 GLN C . 19244 1 398 . 1 1 85 85 GLN CA C 13 53.2000 . . 1 . . . . 85 GLN CA . 19244 1 399 . 1 1 85 85 GLN CB C 13 27.8700 . . 1 . . . . 85 GLN CB . 19244 1 400 . 1 1 85 85 GLN N N 15 119.0000 . . 1 . . . . 85 GLN N . 19244 1 401 . 1 1 86 86 PRO C C 13 179.3000 . . 1 . . . . 86 PRO C . 19244 1 402 . 1 1 86 86 PRO CA C 13 66.5600 . . 1 . . . . 86 PRO CA . 19244 1 403 . 1 1 86 86 PRO CB C 13 31.4800 . . 1 . . . . 86 PRO CB . 19244 1 404 . 1 1 87 87 VAL H H 1 7.5620 . . 1 . . . . 87 VAL HN . 19244 1 405 . 1 1 87 87 VAL C C 13 175.9000 . . 1 . . . . 87 VAL C . 19244 1 406 . 1 1 87 87 VAL CA C 13 63.4600 . . 1 . . . . 87 VAL CA . 19244 1 407 . 1 1 87 87 VAL CB C 13 31.5200 . . 1 . . . . 87 VAL CB . 19244 1 408 . 1 1 87 87 VAL N N 15 112.1000 . . 1 . . . . 87 VAL N . 19244 1 409 . 1 1 88 88 GLY H H 1 7.2450 . . 1 . . . . 88 GLY HN . 19244 1 410 . 1 1 88 88 GLY C C 13 175.0000 . . 1 . . . . 88 GLY C . 19244 1 411 . 1 1 88 88 GLY CA C 13 44.7400 . . 1 . . . . 88 GLY CA . 19244 1 412 . 1 1 88 88 GLY N N 15 109.1000 . . 1 . . . . 88 GLY N . 19244 1 413 . 1 1 89 89 LYS H H 1 7.1010 . . 1 . . . . 89 LYS HN . 19244 1 414 . 1 1 89 89 LYS C C 13 177.1000 . . 1 . . . . 89 LYS C . 19244 1 415 . 1 1 89 89 LYS CA C 13 58.7600 . . 1 . . . . 89 LYS CA . 19244 1 416 . 1 1 89 89 LYS CB C 13 32.2700 . . 1 . . . . 89 LYS CB . 19244 1 417 . 1 1 89 89 LYS N N 15 120.2000 . . 1 . . . . 89 LYS N . 19244 1 418 . 1 1 90 90 ASP H H 1 8.0040 . . 1 . . . . 90 ASP HN . 19244 1 419 . 1 1 90 90 ASP C C 13 174.0000 . . 1 . . . . 90 ASP C . 19244 1 420 . 1 1 90 90 ASP CA C 13 54.3400 . . 1 . . . . 90 ASP CA . 19244 1 421 . 1 1 90 90 ASP CB C 13 40.4300 . . 1 . . . . 90 ASP CB . 19244 1 422 . 1 1 90 90 ASP N N 15 116.8000 . . 1 . . . . 90 ASP N . 19244 1 423 . 1 1 91 91 TYR H H 1 7.8230 . . 1 . . . . 91 TYR HN . 19244 1 424 . 1 1 91 91 TYR C C 13 172.4000 . . 1 . . . . 91 TYR C . 19244 1 425 . 1 1 91 91 TYR CA C 13 58.3000 . . 1 . . . . 91 TYR CA . 19244 1 426 . 1 1 91 91 TYR CB C 13 42.6300 . . 1 . . . . 91 TYR CB . 19244 1 427 . 1 1 91 91 TYR N N 15 120.0000 . . 1 . . . . 91 TYR N . 19244 1 428 . 1 1 92 92 LYS H H 1 9.5690 . . 1 . . . . 92 LYS HN . 19244 1 429 . 1 1 92 92 LYS C C 13 174.8000 . . 1 . . . . 92 LYS C . 19244 1 430 . 1 1 92 92 LYS CA C 13 54.6500 . . 1 . . . . 92 LYS CA . 19244 1 431 . 1 1 92 92 LYS CB C 13 36.4700 . . 1 . . . . 92 LYS CB . 19244 1 432 . 1 1 92 92 LYS N N 15 116.5000 . . 1 . . . . 92 LYS N . 19244 1 433 . 1 1 93 93 PHE H H 1 8.5030 . . 1 . . . . 93 PHE HN . 19244 1 434 . 1 1 93 93 PHE C C 13 177.7000 . . 1 . . . . 93 PHE C . 19244 1 435 . 1 1 93 93 PHE CA C 13 56.7700 . . 1 . . . . 93 PHE CA . 19244 1 436 . 1 1 93 93 PHE CB C 13 39.1800 . . 1 . . . . 93 PHE CB . 19244 1 437 . 1 1 93 93 PHE N N 15 116.9000 . . 1 . . . . 93 PHE N . 19244 1 438 . 1 1 94 94 GLY H H 1 9.3510 . . 1 . . . . 94 GLY HN . 19244 1 439 . 1 1 94 94 GLY C C 13 173.4000 . . 1 . . . . 94 GLY C . 19244 1 440 . 1 1 94 94 GLY CA C 13 46.9000 . . 1 . . . . 94 GLY CA . 19244 1 441 . 1 1 94 94 GLY N N 15 113.4000 . . 1 . . . . 94 GLY N . 19244 1 442 . 1 1 95 95 GLY H H 1 8.0010 . . 1 . . . . 95 GLY HN . 19244 1 443 . 1 1 95 95 GLY C C 13 171.2000 . . 1 . . . . 95 GLY C . 19244 1 444 . 1 1 95 95 GLY CA C 13 45.0100 . . 1 . . . . 95 GLY CA . 19244 1 445 . 1 1 95 95 GLY N N 15 110.6000 . . 1 . . . . 95 GLY N . 19244 1 446 . 1 1 96 96 PRO C C 13 175.7000 . . 1 . . . . 96 PRO C . 19244 1 447 . 1 1 96 96 PRO CA C 13 62.2900 . . 1 . . . . 96 PRO CA . 19244 1 448 . 1 1 96 96 PRO CB C 13 33.4900 . . 1 . . . . 96 PRO CB . 19244 1 449 . 1 1 97 97 SER H H 1 8.2750 . . 1 . . . . 97 SER HN . 19244 1 450 . 1 1 97 97 SER C C 13 174.2000 . . 1 . . . . 97 SER C . 19244 1 451 . 1 1 97 97 SER CA C 13 59.0100 . . 1 . . . . 97 SER CA . 19244 1 452 . 1 1 97 97 SER CB C 13 63.6800 . . 1 . . . . 97 SER CB . 19244 1 453 . 1 1 97 97 SER N N 15 112.8000 . . 1 . . . . 97 SER N . 19244 1 454 . 1 1 98 98 VAL H H 1 8.9030 . . 1 . . . . 98 VAL HN . 19244 1 455 . 1 1 98 98 VAL C C 13 175.4000 . . 1 . . . . 98 VAL C . 19244 1 456 . 1 1 98 98 VAL CA C 13 62.0700 . . 1 . . . . 98 VAL CA . 19244 1 457 . 1 1 98 98 VAL CB C 13 33.5600 . . 1 . . . . 98 VAL CB . 19244 1 458 . 1 1 98 98 VAL N N 15 123.2000 . . 1 . . . . 98 VAL N . 19244 1 459 . 1 1 99 99 LYS H H 1 8.4510 . . 1 . . . . 99 LYS HN . 19244 1 460 . 1 1 99 99 LYS C C 13 175.6000 . . 1 . . . . 99 LYS C . 19244 1 461 . 1 1 99 99 LYS CA C 13 55.4900 . . 1 . . . . 99 LYS CA . 19244 1 462 . 1 1 99 99 LYS CB C 13 34.0100 . . 1 . . . . 99 LYS CB . 19244 1 463 . 1 1 99 99 LYS N N 15 126.3000 . . 1 . . . . 99 LYS N . 19244 1 464 . 1 1 100 100 ASP H H 1 8.5770 . . 1 . . . . 100 ASP HN . 19244 1 465 . 1 1 100 100 ASP C C 13 175.8000 . . 1 . . . . 100 ASP C . 19244 1 466 . 1 1 100 100 ASP CA C 13 54.0500 . . 1 . . . . 100 ASP CA . 19244 1 467 . 1 1 100 100 ASP CB C 13 41.3300 . . 1 . . . . 100 ASP CB . 19244 1 468 . 1 1 100 100 ASP N N 15 122.3000 . . 1 . . . . 100 ASP N . 19244 1 469 . 1 1 101 101 GLU H H 1 8.3340 . . 1 . . . . 101 GLU HN . 19244 1 470 . 1 1 101 101 GLU C C 13 175.4000 . . 1 . . . . 101 GLU C . 19244 1 471 . 1 1 101 101 GLU CA C 13 56.2300 . . 1 . . . . 101 GLU CA . 19244 1 472 . 1 1 101 101 GLU CB C 13 30.9500 . . 1 . . . . 101 GLU CB . 19244 1 473 . 1 1 101 101 GLU N N 15 122.4000 . . 1 . . . . 101 GLU N . 19244 1 474 . 1 1 102 102 LYS H H 1 8.0330 . . 1 . . . . 102 LYS HN . 19244 1 475 . 1 1 102 102 LYS C C 13 181.4000 . . 1 . . . . 102 LYS C . 19244 1 476 . 1 1 102 102 LYS CA C 13 57.7800 . . 1 . . . . 102 LYS CA . 19244 1 477 . 1 1 102 102 LYS CB C 13 33.6200 . . 1 . . . . 102 LYS CB . 19244 1 478 . 1 1 102 102 LYS N N 15 127.6000 . . 1 . . . . 102 LYS N . 19244 1 stop_ save_