data_4718 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4718 _Entry.Title ; Assignments of amide 1H, amide 15N, and Ca, CO, Cb 13C shifts for the replication terminator protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-12 _Entry.Accession_date 2000-04-17 _Entry.Last_release_date 2001-05-01 _Entry.Original_release_date 2001-05-01 _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 Jackie Wilce . W. . 4718 2 Julian Vivian . P. . 4718 3 Adam Hastings . F. . 4718 4 Gottfried Otting . . . 4718 5 Rutger Folmer . . . 4718 6 I. Duggin . G. . 4718 7 R. Wake . Gerry . 4718 8 Matthew Wilce . C. J. 4718 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4718 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 131 4718 '13C chemical shifts' 333 4718 '15N chemical shifts' 123 4718 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 . . 2001-05-01 2000-04-12 original author . 4718 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4718 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21127481 _Citation.DOI . _Citation.PubMed_ID 11224562 _Citation.Full_citation . _Citation.Title ; Structure of the RTP-DNA Complex and the Mechanism of Polar Replication Fork Arrest ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 8 _Citation.Journal_issue 3 _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 206 _Citation.Page_last 210 _Citation.Year 2001 _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 Jackie Wilce . A. . 4718 1 2 Julian Vivian . P. . 4718 1 3 Adam Hastings . F. . 4718 1 4 Gottfried Otting . . . 4718 1 5 Rutger Folmer . H. . 4718 1 6 I. Duggin . G. . 4718 1 7 R. Wake . Gerry . 4718 1 8 Matthew Wilce . C. J. 4718 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'replication terminator protein' 4718 1 'Bacillus subtilis' 4718 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RTP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RTP _Assembly.Entry_ID 4718 _Assembly.ID 1 _Assembly.Name 'replication terminator protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4718 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 'RTP subunit 1' 1 $RTP . . . native . . 1 . . 4718 1 2 'RTP subunit 2' 1 $RTP . . . native . . 1 . . 4718 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1bm9 . . . . . 'Residue Cys-110 has been replaced by Ser in the molecule studied here.' 4718 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'replication terminator protein' system 4718 1 RTP abbreviation 4718 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'replication terminator' 4718 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RTP _Entity.Sf_category entity _Entity.Sf_framecode RTP _Entity.Entry_ID 4718 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'replication termination protein' _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 ; MKEEKRSSTGFLVKQRAFLK LYMITMTEQERLYGLKLLEV LRSEFKEIGFKPNHTEVYRS LHELLDDGILKQIKVKKEGA KLQEVVLYQFKDYEAAKLYK KQLKVELDRSKKLIEKALSD NF ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-11-24 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 PDB 1BM9 . "Replication Terminator Protein From Bacillus Subtilis" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 2 no PDB 1F4K . "Crystal Structure Of The Replication Terminator ProteinB- Site Dna Complex" . . . . . 100.00 122 100.00 100.00 3.38e-78 . . . . 4718 1 3 no PDB 1J0R . "Crystal Structure Of The Replication Termination Protein Mutant C110s" . . . . . 100.00 122 100.00 100.00 3.38e-78 . . . . 4718 1 4 no PDB 2DPD . "Crystal Structure Of The Replication Termination Protein In Complex With A Pseudosymmetric B-Site" . . . . . 100.00 122 100.00 100.00 3.38e-78 . . . . 4718 1 5 no PDB 2DPU . "Crystal Structure Of The Replication Termination Protein In Complex With A Pseudosymmetric 21mer B-Site Dna" . . . . . 100.00 122 100.00 100.00 3.38e-78 . . . . 4718 1 6 no PDB 2DQR . "Crystal Structure Of The Replication Terminator Protein Mutant Rtp.E39k.R42q" . . . . . 100.00 122 97.54 99.18 3.98e-76 . . . . 4718 1 7 no PDB 2EFW . "Crystal Structure Of The Rtp:nrb Complex From Bacillus Subtilis" . . . . . 100.00 122 100.00 100.00 3.38e-78 . . . . 4718 1 8 no DBJ BAM52503 . "replication terminator protein [Bacillus subtilis BEST7613]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 9 no DBJ BAM58079 . "replication terminator protein [Bacillus subtilis BEST7003]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 10 no DBJ BAO93415 . "hypothetical protein BSNT_08440 [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 130 99.18 99.18 1.50e-77 . . . . 4718 1 11 no DBJ GAK78159 . "replication terminator protein [Bacillus subtilis Miyagi-4]" . . . . . 100.00 123 99.18 99.18 1.37e-77 . . . . 4718 1 12 no EMBL CAA29534 . "unnamed protein product [Bacillus subtilis]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 13 no EMBL CAB13742 . "replication terminator protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 14 no EMBL CCU58469 . "replication terminator protein [Bacillus subtilis E1]" . . . . . 100.00 123 99.18 99.18 1.37e-77 . . . . 4718 1 15 no EMBL CEI57043 . "hypothetical protein BS49_20480 [Bacillus subtilis]" . . . . . 100.00 123 99.18 99.18 1.37e-77 . . . . 4718 1 16 no EMBL CEJ77468 . "hypothetical protein BS34A_20480 [Bacillus sp.]" . . . . . 100.00 123 99.18 99.18 1.37e-77 . . . . 4718 1 17 no GB AAA22721 . "replication terminator protein (rtp; terC) [Bacillus subtilis]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 18 no GB AAC38659 . "replication terminator protein [Bacillus vallismortis]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 19 no GB AAC38660 . "replication terminator protein [Bacillus mojavensis]" . . . . . 100.00 122 98.36 99.18 7.50e-77 . . . . 4718 1 20 no GB AAC38662 . "replication terminator protein [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 122 97.54 98.36 1.66e-76 . . . . 4718 1 21 no GB ADM38012 . "replication terminator protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 22 no REF NP_389731 . "replication termination protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 23 no REF WP_003220337 . "MULTISPECIES: replication termination protein [Bacillales]" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 24 no REF WP_010334473 . "MULTISPECIES: replication terminator protein [Bacillaceae]" . . . . . 100.00 122 98.36 99.18 7.50e-77 . . . . 4718 1 25 no REF WP_024715459 . "replication termination protein [Bacillus tequilensis]" . . . . . 100.00 122 98.36 99.18 3.03e-77 . . . . 4718 1 26 no REF WP_041849904 . "MULTISPECIES: replication termination protein [Bacillus]" . . . . . 100.00 122 98.36 99.18 2.75e-77 . . . . 4718 1 27 no SP E0TY12 . "RecName: Full=Replication termination protein; AltName: Full=Replication terminator protein" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 28 no SP P0CI76 . "RecName: Full=Replication termination protein; AltName: Full=Replication terminator protein" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 29 no SP P68733 . "RecName: Full=Replication termination protein; AltName: Full=Replication terminator protein" . . . . . 100.00 122 99.18 99.18 1.57e-77 . . . . 4718 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'replication termination protein' common 4718 1 C110S variant 4718 1 RTP abbreviation 4718 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4718 1 2 . LYS . 4718 1 3 . GLU . 4718 1 4 . GLU . 4718 1 5 . LYS . 4718 1 6 . ARG . 4718 1 7 . SER . 4718 1 8 . SER . 4718 1 9 . THR . 4718 1 10 . GLY . 4718 1 11 . PHE . 4718 1 12 . LEU . 4718 1 13 . VAL . 4718 1 14 . LYS . 4718 1 15 . GLN . 4718 1 16 . ARG . 4718 1 17 . ALA . 4718 1 18 . PHE . 4718 1 19 . LEU . 4718 1 20 . LYS . 4718 1 21 . LEU . 4718 1 22 . TYR . 4718 1 23 . MET . 4718 1 24 . ILE . 4718 1 25 . THR . 4718 1 26 . MET . 4718 1 27 . THR . 4718 1 28 . GLU . 4718 1 29 . GLN . 4718 1 30 . GLU . 4718 1 31 . ARG . 4718 1 32 . LEU . 4718 1 33 . TYR . 4718 1 34 . GLY . 4718 1 35 . LEU . 4718 1 36 . LYS . 4718 1 37 . LEU . 4718 1 38 . LEU . 4718 1 39 . GLU . 4718 1 40 . VAL . 4718 1 41 . LEU . 4718 1 42 . ARG . 4718 1 43 . SER . 4718 1 44 . GLU . 4718 1 45 . PHE . 4718 1 46 . LYS . 4718 1 47 . GLU . 4718 1 48 . ILE . 4718 1 49 . GLY . 4718 1 50 . PHE . 4718 1 51 . LYS . 4718 1 52 . PRO . 4718 1 53 . ASN . 4718 1 54 . HIS . 4718 1 55 . THR . 4718 1 56 . GLU . 4718 1 57 . VAL . 4718 1 58 . TYR . 4718 1 59 . ARG . 4718 1 60 . SER . 4718 1 61 . LEU . 4718 1 62 . HIS . 4718 1 63 . GLU . 4718 1 64 . LEU . 4718 1 65 . LEU . 4718 1 66 . ASP . 4718 1 67 . ASP . 4718 1 68 . GLY . 4718 1 69 . ILE . 4718 1 70 . LEU . 4718 1 71 . LYS . 4718 1 72 . GLN . 4718 1 73 . ILE . 4718 1 74 . LYS . 4718 1 75 . VAL . 4718 1 76 . LYS . 4718 1 77 . LYS . 4718 1 78 . GLU . 4718 1 79 . GLY . 4718 1 80 . ALA . 4718 1 81 . LYS . 4718 1 82 . LEU . 4718 1 83 . GLN . 4718 1 84 . GLU . 4718 1 85 . VAL . 4718 1 86 . VAL . 4718 1 87 . LEU . 4718 1 88 . TYR . 4718 1 89 . GLN . 4718 1 90 . PHE . 4718 1 91 . LYS . 4718 1 92 . ASP . 4718 1 93 . TYR . 4718 1 94 . GLU . 4718 1 95 . ALA . 4718 1 96 . ALA . 4718 1 97 . LYS . 4718 1 98 . LEU . 4718 1 99 . TYR . 4718 1 100 . LYS . 4718 1 101 . LYS . 4718 1 102 . GLN . 4718 1 103 . LEU . 4718 1 104 . LYS . 4718 1 105 . VAL . 4718 1 106 . GLU . 4718 1 107 . LEU . 4718 1 108 . ASP . 4718 1 109 . ARG . 4718 1 110 . SER . 4718 1 111 . LYS . 4718 1 112 . LYS . 4718 1 113 . LEU . 4718 1 114 . ILE . 4718 1 115 . GLU . 4718 1 116 . LYS . 4718 1 117 . ALA . 4718 1 118 . LEU . 4718 1 119 . SER . 4718 1 120 . ASP . 4718 1 121 . ASN . 4718 1 122 . PHE . 4718 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4718 1 . LYS 2 2 4718 1 . GLU 3 3 4718 1 . GLU 4 4 4718 1 . LYS 5 5 4718 1 . ARG 6 6 4718 1 . SER 7 7 4718 1 . SER 8 8 4718 1 . THR 9 9 4718 1 . GLY 10 10 4718 1 . PHE 11 11 4718 1 . LEU 12 12 4718 1 . VAL 13 13 4718 1 . LYS 14 14 4718 1 . GLN 15 15 4718 1 . ARG 16 16 4718 1 . ALA 17 17 4718 1 . PHE 18 18 4718 1 . LEU 19 19 4718 1 . LYS 20 20 4718 1 . LEU 21 21 4718 1 . TYR 22 22 4718 1 . MET 23 23 4718 1 . ILE 24 24 4718 1 . THR 25 25 4718 1 . MET 26 26 4718 1 . THR 27 27 4718 1 . GLU 28 28 4718 1 . GLN 29 29 4718 1 . GLU 30 30 4718 1 . ARG 31 31 4718 1 . LEU 32 32 4718 1 . TYR 33 33 4718 1 . GLY 34 34 4718 1 . LEU 35 35 4718 1 . LYS 36 36 4718 1 . LEU 37 37 4718 1 . LEU 38 38 4718 1 . GLU 39 39 4718 1 . VAL 40 40 4718 1 . LEU 41 41 4718 1 . ARG 42 42 4718 1 . SER 43 43 4718 1 . GLU 44 44 4718 1 . PHE 45 45 4718 1 . LYS 46 46 4718 1 . GLU 47 47 4718 1 . ILE 48 48 4718 1 . GLY 49 49 4718 1 . PHE 50 50 4718 1 . LYS 51 51 4718 1 . PRO 52 52 4718 1 . ASN 53 53 4718 1 . HIS 54 54 4718 1 . THR 55 55 4718 1 . GLU 56 56 4718 1 . VAL 57 57 4718 1 . TYR 58 58 4718 1 . ARG 59 59 4718 1 . SER 60 60 4718 1 . LEU 61 61 4718 1 . HIS 62 62 4718 1 . GLU 63 63 4718 1 . LEU 64 64 4718 1 . LEU 65 65 4718 1 . ASP 66 66 4718 1 . ASP 67 67 4718 1 . GLY 68 68 4718 1 . ILE 69 69 4718 1 . LEU 70 70 4718 1 . LYS 71 71 4718 1 . GLN 72 72 4718 1 . ILE 73 73 4718 1 . LYS 74 74 4718 1 . VAL 75 75 4718 1 . LYS 76 76 4718 1 . LYS 77 77 4718 1 . GLU 78 78 4718 1 . GLY 79 79 4718 1 . ALA 80 80 4718 1 . LYS 81 81 4718 1 . LEU 82 82 4718 1 . GLN 83 83 4718 1 . GLU 84 84 4718 1 . VAL 85 85 4718 1 . VAL 86 86 4718 1 . LEU 87 87 4718 1 . TYR 88 88 4718 1 . GLN 89 89 4718 1 . PHE 90 90 4718 1 . LYS 91 91 4718 1 . ASP 92 92 4718 1 . TYR 93 93 4718 1 . GLU 94 94 4718 1 . ALA 95 95 4718 1 . ALA 96 96 4718 1 . LYS 97 97 4718 1 . LEU 98 98 4718 1 . TYR 99 99 4718 1 . LYS 100 100 4718 1 . LYS 101 101 4718 1 . GLN 102 102 4718 1 . LEU 103 103 4718 1 . LYS 104 104 4718 1 . VAL 105 105 4718 1 . GLU 106 106 4718 1 . LEU 107 107 4718 1 . ASP 108 108 4718 1 . ARG 109 109 4718 1 . SER 110 110 4718 1 . LYS 111 111 4718 1 . LYS 112 112 4718 1 . LEU 113 113 4718 1 . ILE 114 114 4718 1 . GLU 115 115 4718 1 . LYS 116 116 4718 1 . ALA 117 117 4718 1 . LEU 118 118 4718 1 . SER 119 119 4718 1 . ASP 120 120 4718 1 . ASN 121 121 4718 1 . PHE 122 122 4718 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 4718 _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 $RTP . 1423 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 4718 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 4718 _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 $RTP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4718 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4718 _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 'replication termination protein' '[U-100% 13C; U-100% 15N; U-70% 2H]' . . 1 $RTP . . 0.25 . . mM . . . . 4718 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4718 _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 0.1 n/a 4718 1 temperature 298 0.1 K 4718 1 'ionic strength' 0.11 0.01 M 4718 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4718 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4718 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4718 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4718 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 800 . . . 4718 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 4718 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 4718 _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 TROSY-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4718 1 2 TROSY-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4718 1 3 TROSY-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4718 1 4 TROSY-HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4718 1 5 TROSY-HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4718 1 6 '3D NOESY-15N-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4718 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4718 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name TROSY-HNCA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4718 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TROSY-HNCO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4718 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TROSY-HNCACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4718 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TROSY-HN(CO)CACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4718 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name TROSY-HN(CA)CO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4718 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D NOESY-15N-HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4718 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4718 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4718 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4718 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4718 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 TROSY-HNCA 1 $sample_1 . 4718 1 2 TROSY-HNCO 1 $sample_1 . 4718 1 3 TROSY-HNCACB 1 $sample_1 . 4718 1 4 TROSY-HN(CO)CACB 1 $sample_1 . 4718 1 5 TROSY-HN(CA)CO 1 $sample_1 . 4718 1 6 '3D NOESY-15N-HSQC' 1 $sample_1 . 4718 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 LYS C C 13 175.9 0.1 . 1 . . . . . . . . 4718 1 2 . 1 1 2 2 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 4718 1 3 . 1 1 2 2 LYS CB C 13 32.2 0.1 . 1 . . . . . . . . 4718 1 4 . 1 1 3 3 GLU H H 1 8.60 0.02 . 1 . . . . . . . . 4718 1 5 . 1 1 3 3 GLU C C 13 175.9 0.1 . 1 . . . . . . . . 4718 1 6 . 1 1 3 3 GLU CA C 13 56.0 0.1 . 1 . . . . . . . . 4718 1 7 . 1 1 3 3 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 4718 1 8 . 1 1 3 3 GLU N N 15 123.3 0.2 . 1 . . . . . . . . 4718 1 9 . 1 1 4 4 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4718 1 10 . 1 1 4 4 GLU C C 13 176.4 0.1 . 1 . . . . . . . . 4718 1 11 . 1 1 4 4 GLU CA C 13 55.8 0.1 . 1 . . . . . . . . 4718 1 12 . 1 1 4 4 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 4718 1 13 . 1 1 4 4 GLU N N 15 123.4 0.2 . 1 . . . . . . . . 4718 1 14 . 1 1 5 5 LYS H H 1 8.48 0.02 . 1 . . . . . . . . 4718 1 15 . 1 1 5 5 LYS C C 13 176.6 0.1 . 1 . . . . . . . . 4718 1 16 . 1 1 5 5 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 4718 1 17 . 1 1 5 5 LYS CB C 13 32.0 0.1 . 1 . . . . . . . . 4718 1 18 . 1 1 5 5 LYS N N 15 123.0 0.2 . 1 . . . . . . . . 4718 1 19 . 1 1 6 6 ARG H H 1 8.42 0.02 . 1 . . . . . . . . 4718 1 20 . 1 1 6 6 ARG C C 13 176.2 0.1 . 1 . . . . . . . . 4718 1 21 . 1 1 6 6 ARG CA C 13 55.4 0.1 . 1 . . . . . . . . 4718 1 22 . 1 1 6 6 ARG CB C 13 30.0 0.1 . 1 . . . . . . . . 4718 1 23 . 1 1 6 6 ARG N N 15 122.0 0.2 . 1 . . . . . . . . 4718 1 24 . 1 1 7 7 SER H H 1 8.43 0.02 . 1 . . . . . . . . 4718 1 25 . 1 1 7 7 SER C C 13 174.7 0.1 . 1 . . . . . . . . 4718 1 26 . 1 1 7 7 SER CA C 13 57.7 0.1 . 1 . . . . . . . . 4718 1 27 . 1 1 7 7 SER N N 15 118.8 0.2 . 1 . . . . . . . . 4718 1 28 . 1 1 9 9 THR C C 13 175.2 0.1 . 1 . . . . . . . . 4718 1 29 . 1 1 9 9 THR CA C 13 61.5 0.1 . 1 . . . . . . . . 4718 1 30 . 1 1 9 9 THR CB C 13 70.0 0.1 . 1 . . . . . . . . 4718 1 31 . 1 1 10 10 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 4718 1 32 . 1 1 10 10 GLY C C 13 173.3 0.1 . 1 . . . . . . . . 4718 1 33 . 1 1 10 10 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 4718 1 34 . 1 1 10 10 GLY N N 15 110.0 0.2 . 1 . . . . . . . . 4718 1 35 . 1 1 11 11 PHE H H 1 8.18 0.02 . 1 . . . . . . . . 4718 1 36 . 1 1 11 11 PHE C C 13 173.6 0.1 . 1 . . . . . . . . 4718 1 37 . 1 1 11 11 PHE CA C 13 54.5 0.1 . 1 . . . . . . . . 4718 1 38 . 1 1 11 11 PHE CB C 13 37.5 0.1 . 1 . . . . . . . . 4718 1 39 . 1 1 11 11 PHE N N 15 119.6 0.2 . 1 . . . . . . . . 4718 1 40 . 1 1 12 12 LEU H H 1 6.04 0.02 . 1 . . . . . . . . 4718 1 41 . 1 1 12 12 LEU C C 13 176.1 0.1 . 1 . . . . . . . . 4718 1 42 . 1 1 12 12 LEU CA C 13 52.6 0.1 . 1 . . . . . . . . 4718 1 43 . 1 1 12 12 LEU N N 15 121.1 0.2 . 1 . . . . . . . . 4718 1 44 . 1 1 13 13 VAL H H 1 6.93 0.02 . 1 . . . . . . . . 4718 1 45 . 1 1 13 13 VAL C C 13 172.9 0.1 . 1 . . . . . . . . 4718 1 46 . 1 1 13 13 VAL CA C 13 60.1 0.1 . 1 . . . . . . . . 4718 1 47 . 1 1 13 13 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 4718 1 48 . 1 1 13 13 VAL N N 15 118.0 0.2 . 1 . . . . . . . . 4718 1 49 . 1 1 14 14 LYS H H 1 8.52 0.02 . 1 . . . . . . . . 4718 1 50 . 1 1 14 14 LYS C C 13 177.9 0.1 . 1 . . . . . . . . 4718 1 51 . 1 1 14 14 LYS CA C 13 55.3 0.1 . 1 . . . . . . . . 4718 1 52 . 1 1 14 14 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 4718 1 53 . 1 1 14 14 LYS N N 15 125.4 0.2 . 1 . . . . . . . . 4718 1 54 . 1 1 15 15 GLN H H 1 8.94 0.02 . 1 . . . . . . . . 4718 1 55 . 1 1 15 15 GLN HE21 H 1 7.07 0.02 . 1 . . . . . . . . 4718 1 56 . 1 1 15 15 GLN HE22 H 1 6.69 0.02 . 1 . . . . . . . . 4718 1 57 . 1 1 15 15 GLN C C 13 177.7 0.1 . 1 . . . . . . . . 4718 1 58 . 1 1 15 15 GLN CA C 13 59.5 0.1 . 1 . . . . . . . . 4718 1 59 . 1 1 15 15 GLN CB C 13 27.2 0.1 . 1 . . . . . . . . 4718 1 60 . 1 1 15 15 GLN N N 15 123.0 0.2 . 1 . . . . . . . . 4718 1 61 . 1 1 15 15 GLN NE2 N 15 106.9 0.2 . 1 . . . . . . . . 4718 1 62 . 1 1 16 16 ARG H H 1 8.82 0.02 . 1 . . . . . . . . 4718 1 63 . 1 1 16 16 ARG C C 13 177.9 0.1 . 1 . . . . . . . . 4718 1 64 . 1 1 16 16 ARG CA C 13 59.5 0.1 . 1 . . . . . . . . 4718 1 65 . 1 1 16 16 ARG CB C 13 29.0 0.1 . 1 . . . . . . . . 4718 1 66 . 1 1 16 16 ARG N N 15 116.8 0.2 . 1 . . . . . . . . 4718 1 67 . 1 1 17 17 ALA H H 1 6.63 0.02 . 1 . . . . . . . . 4718 1 68 . 1 1 17 17 ALA C C 13 179.0 0.1 . 1 . . . . . . . . 4718 1 69 . 1 1 17 17 ALA CA C 13 54.0 0.1 . 1 . . . . . . . . 4718 1 70 . 1 1 17 17 ALA CB C 13 18.0 0.1 . 1 . . . . . . . . 4718 1 71 . 1 1 17 17 ALA N N 15 120.2 0.2 . 1 . . . . . . . . 4718 1 72 . 1 1 18 18 PHE H H 1 8.12 0.02 . 1 . . . . . . . . 4718 1 73 . 1 1 18 18 PHE C C 13 176.7 0.1 . 1 . . . . . . . . 4718 1 74 . 1 1 18 18 PHE CA C 13 61.3 0.1 . 1 . . . . . . . . 4718 1 75 . 1 1 18 18 PHE CB C 13 40.5 0.1 . 1 . . . . . . . . 4718 1 76 . 1 1 18 18 PHE N N 15 119.3 0.2 . 1 . . . . . . . . 4718 1 77 . 1 1 19 19 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 4718 1 78 . 1 1 19 19 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 4718 1 79 . 1 1 19 19 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 4718 1 80 . 1 1 19 19 LEU CB C 13 40.5 0.1 . 1 . . . . . . . . 4718 1 81 . 1 1 19 19 LEU N N 15 116.8 0.2 . 1 . . . . . . . . 4718 1 82 . 1 1 20 20 LYS H H 1 8.65 0.02 . 1 . . . . . . . . 4718 1 83 . 1 1 20 20 LYS C C 13 178.3 0.1 . 1 . . . . . . . . 4718 1 84 . 1 1 20 20 LYS CA C 13 60.3 0.1 . 1 . . . . . . . . 4718 1 85 . 1 1 20 20 LYS N N 15 118.3 0.2 . 1 . . . . . . . . 4718 1 86 . 1 1 21 21 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 4718 1 87 . 1 1 21 21 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 4718 1 88 . 1 1 21 21 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 4718 1 89 . 1 1 21 21 LEU N N 15 118.0 0.2 . 1 . . . . . . . . 4718 1 90 . 1 1 22 22 TYR H H 1 7.16 0.02 . 1 . . . . . . . . 4718 1 91 . 1 1 22 22 TYR C C 13 177.7 0.1 . 1 . . . . . . . . 4718 1 92 . 1 1 22 22 TYR CA C 13 62.6 0.1 . 1 . . . . . . . . 4718 1 93 . 1 1 22 22 TYR CB C 13 41.2 0.1 . 1 . . . . . . . . 4718 1 94 . 1 1 22 22 TYR N N 15 114.6 0.2 . 1 . . . . . . . . 4718 1 95 . 1 1 23 23 MET H H 1 8.25 0.02 . 1 . . . . . . . . 4718 1 96 . 1 1 23 23 MET C C 13 174.5 0.1 . 1 . . . . . . . . 4718 1 97 . 1 1 23 23 MET CA C 13 57.9 0.1 . 1 . . . . . . . . 4718 1 98 . 1 1 23 23 MET N N 15 116.8 0.2 . 1 . . . . . . . . 4718 1 99 . 1 1 24 24 ILE H H 1 8.42 0.02 . 1 . . . . . . . . 4718 1 100 . 1 1 24 24 ILE C C 13 177.6 0.1 . 1 . . . . . . . . 4718 1 101 . 1 1 24 24 ILE CA C 13 66.4 0.1 . 1 . . . . . . . . 4718 1 102 . 1 1 24 24 ILE N N 15 122.3 0.2 . 1 . . . . . . . . 4718 1 103 . 1 1 25 25 THR H H 1 8.23 0.02 . 1 . . . . . . . . 4718 1 104 . 1 1 25 25 THR C C 13 178.5 0.1 . 1 . . . . . . . . 4718 1 105 . 1 1 25 25 THR CA C 13 65.6 0.1 . 1 . . . . . . . . 4718 1 106 . 1 1 25 25 THR N N 15 121.7 0.2 . 1 . . . . . . . . 4718 1 107 . 1 1 26 26 MET H H 1 9.03 0.02 . 1 . . . . . . . . 4718 1 108 . 1 1 26 26 MET C C 13 179.6 0.1 . 1 . . . . . . . . 4718 1 109 . 1 1 26 26 MET CA C 13 59.3 0.1 . 1 . . . . . . . . 4718 1 110 . 1 1 26 26 MET CB C 13 26.7 0.1 . 1 . . . . . . . . 4718 1 111 . 1 1 26 26 MET N N 15 118.3 0.2 . 1 . . . . . . . . 4718 1 112 . 1 1 27 27 THR H H 1 7.87 0.02 . 1 . . . . . . . . 4718 1 113 . 1 1 27 27 THR C C 13 179.5 0.1 . 1 . . . . . . . . 4718 1 114 . 1 1 27 27 THR CA C 13 59.5 0.1 . 1 . . . . . . . . 4718 1 115 . 1 1 27 27 THR N N 15 119.0 0.2 . 1 . . . . . . . . 4718 1 116 . 1 1 28 28 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4718 1 117 . 1 1 28 28 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 4718 1 118 . 1 1 28 28 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 4718 1 119 . 1 1 28 28 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 4718 1 120 . 1 1 28 28 GLU N N 15 125.7 0.2 . 1 . . . . . . . . 4718 1 121 . 1 1 29 29 GLN H H 1 7.58 0.02 . 1 . . . . . . . . 4718 1 122 . 1 1 29 29 GLN HE21 H 1 7.39 0.02 . 1 . . . . . . . . 4718 1 123 . 1 1 29 29 GLN HE22 H 1 7.00 0.02 . 1 . . . . . . . . 4718 1 124 . 1 1 29 29 GLN C C 13 174.1 0.1 . 1 . . . . . . . . 4718 1 125 . 1 1 29 29 GLN CA C 13 54.5 0.1 . 1 . . . . . . . . 4718 1 126 . 1 1 29 29 GLN CB C 13 27.2 0.1 . 1 . . . . . . . . 4718 1 127 . 1 1 29 29 GLN N N 15 114.6 0.2 . 1 . . . . . . . . 4718 1 128 . 1 1 29 29 GLN NE2 N 15 111.2 0.2 . 1 . . . . . . . . 4718 1 129 . 1 1 30 30 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 4718 1 130 . 1 1 30 30 GLU C C 13 176.0 0.1 . 1 . . . . . . . . 4718 1 131 . 1 1 30 30 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 4718 1 132 . 1 1 30 30 GLU CB C 13 26.0 0.1 . 1 . . . . . . . . 4718 1 133 . 1 1 30 30 GLU N N 15 115.6 0.2 . 1 . . . . . . . . 4718 1 134 . 1 1 31 31 ARG H H 1 8.55 0.02 . 1 . . . . . . . . 4718 1 135 . 1 1 31 31 ARG C C 13 174.7 0.1 . 1 . . . . . . . . 4718 1 136 . 1 1 31 31 ARG CA C 13 54.0 0.1 . 1 . . . . . . . . 4718 1 137 . 1 1 31 31 ARG CB C 13 30.0 0.1 . 1 . . . . . . . . 4718 1 138 . 1 1 31 31 ARG N N 15 112.8 0.2 . 1 . . . . . . . . 4718 1 139 . 1 1 32 32 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 4718 1 140 . 1 1 32 32 LEU C C 13 173.8 0.1 . 1 . . . . . . . . 4718 1 141 . 1 1 32 32 LEU CA C 13 53.5 0.1 . 1 . . . . . . . . 4718 1 142 . 1 1 32 32 LEU CB C 13 39.0 0.1 . 1 . . . . . . . . 4718 1 143 . 1 1 32 32 LEU N N 15 125.1 0.2 . 1 . . . . . . . . 4718 1 144 . 1 1 33 33 TYR H H 1 7.67 0.02 . 1 . . . . . . . . 4718 1 145 . 1 1 33 33 TYR C C 13 176.9 0.1 . 1 . . . . . . . . 4718 1 146 . 1 1 33 33 TYR CA C 13 56.1 0.1 . 1 . . . . . . . . 4718 1 147 . 1 1 33 33 TYR CB C 13 39.5 0.1 . 1 . . . . . . . . 4718 1 148 . 1 1 33 33 TYR N N 15 124.8 0.2 . 1 . . . . . . . . 4718 1 149 . 1 1 34 34 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 4718 1 150 . 1 1 34 34 GLY C C 13 175.0 0.1 . 1 . . . . . . . . 4718 1 151 . 1 1 34 34 GLY CA C 13 46.9 0.1 . 1 . . . . . . . . 4718 1 152 . 1 1 34 34 GLY N N 15 127.3 0.2 . 1 . . . . . . . . 4718 1 153 . 1 1 35 35 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4718 1 154 . 1 1 35 35 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 4718 1 155 . 1 1 35 35 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 4718 1 156 . 1 1 35 35 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 4718 1 157 . 1 1 36 36 LYS H H 1 8.27 0.02 . 1 . . . . . . . . 4718 1 158 . 1 1 36 36 LYS C C 13 175.6 0.1 . 1 . . . . . . . . 4718 1 159 . 1 1 36 36 LYS CA C 13 55.3 0.1 . 1 . . . . . . . . 4718 1 160 . 1 1 36 36 LYS N N 15 118.0 0.2 . 1 . . . . . . . . 4718 1 161 . 1 1 37 37 LEU H H 1 7.19 0.02 . 1 . . . . . . . . 4718 1 162 . 1 1 37 37 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 4718 1 163 . 1 1 37 37 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4718 1 164 . 1 1 37 37 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 4718 1 165 . 1 1 37 37 LEU N N 15 120.2 0.2 . 1 . . . . . . . . 4718 1 166 . 1 1 38 38 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 4718 1 167 . 1 1 38 38 LEU C C 13 178.0 0.1 . 1 . . . . . . . . 4718 1 168 . 1 1 38 38 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 4718 1 169 . 1 1 38 38 LEU CB C 13 41.0 0.1 . 1 . . . . . . . . 4718 1 170 . 1 1 38 38 LEU N N 15 116.5 0.2 . 1 . . . . . . . . 4718 1 171 . 1 1 39 39 GLU H H 1 8.23 0.02 . 1 . . . . . . . . 4718 1 172 . 1 1 39 39 GLU C C 13 179.7 0.1 . 1 . . . . . . . . 4718 1 173 . 1 1 39 39 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 4718 1 174 . 1 1 39 39 GLU CB C 13 28.0 0.1 . 1 . . . . . . . . 4718 1 175 . 1 1 39 39 GLU N N 15 118.6 0.2 . 1 . . . . . . . . 4718 1 176 . 1 1 40 40 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 4718 1 177 . 1 1 40 40 VAL C C 13 176.7 0.1 . 1 . . . . . . . . 4718 1 178 . 1 1 40 40 VAL CA C 13 66.0 0.1 . 1 . . . . . . . . 4718 1 179 . 1 1 40 40 VAL CB C 13 30.8 0.1 . 1 . . . . . . . . 4718 1 180 . 1 1 40 40 VAL N N 15 121.1 0.2 . 1 . . . . . . . . 4718 1 181 . 1 1 41 41 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 4718 1 182 . 1 1 41 41 LEU C C 13 176.7 0.1 . 1 . . . . . . . . 4718 1 183 . 1 1 41 41 LEU CA C 13 57.0 0.1 . 1 . . . . . . . . 4718 1 184 . 1 1 41 41 LEU CB C 13 40.8 0.1 . 1 . . . . . . . . 4718 1 185 . 1 1 41 41 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 4718 1 186 . 1 1 42 42 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 4718 1 187 . 1 1 42 42 ARG C C 13 180.0 0.1 . 1 . . . . . . . . 4718 1 188 . 1 1 42 42 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 4718 1 189 . 1 1 42 42 ARG CB C 13 28.6 0.1 . 1 . . . . . . . . 4718 1 190 . 1 1 42 42 ARG N N 15 116.5 0.2 . 1 . . . . . . . . 4718 1 191 . 1 1 43 43 SER H H 1 8.22 0.02 . 1 . . . . . . . . 4718 1 192 . 1 1 43 43 SER C C 13 176.3 0.1 . 1 . . . . . . . . 4718 1 193 . 1 1 43 43 SER CA C 13 61.3 0.1 . 1 . . . . . . . . 4718 1 194 . 1 1 43 43 SER CB C 13 62.5 0.1 . 1 . . . . . . . . 4718 1 195 . 1 1 43 43 SER N N 15 114.6 0.2 . 1 . . . . . . . . 4718 1 196 . 1 1 44 44 GLU H H 1 7.58 0.02 . 1 . . . . . . . . 4718 1 197 . 1 1 44 44 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 4718 1 198 . 1 1 44 44 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 4718 1 199 . 1 1 44 44 GLU CB C 13 28.2 0.1 . 1 . . . . . . . . 4718 1 200 . 1 1 44 44 GLU N N 15 121.1 0.2 . 1 . . . . . . . . 4718 1 201 . 1 1 45 45 PHE H H 1 6.93 0.02 . 1 . . . . . . . . 4718 1 202 . 1 1 45 45 PHE C C 13 176.1 0.1 . 1 . . . . . . . . 4718 1 203 . 1 1 45 45 PHE CA C 13 56.1 0.1 . 1 . . . . . . . . 4718 1 204 . 1 1 45 45 PHE CB C 13 40.2 0.1 . 1 . . . . . . . . 4718 1 205 . 1 1 45 45 PHE N N 15 111.8 0.2 . 1 . . . . . . . . 4718 1 206 . 1 1 46 46 LYS H H 1 7.36 0.02 . 1 . . . . . . . . 4718 1 207 . 1 1 46 46 LYS C C 13 178.5 0.1 . 1 . . . . . . . . 4718 1 208 . 1 1 46 46 LYS CA C 13 59.6 0.1 . 1 . . . . . . . . 4718 1 209 . 1 1 46 46 LYS CB C 13 31.5 0.1 . 1 . . . . . . . . 4718 1 210 . 1 1 46 46 LYS N N 15 121.4 0.2 . 1 . . . . . . . . 4718 1 211 . 1 1 47 47 GLU H H 1 8.81 0.02 . 1 . . . . . . . . 4718 1 212 . 1 1 47 47 GLU C C 13 178.0 0.1 . 1 . . . . . . . . 4718 1 213 . 1 1 47 47 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 4718 1 214 . 1 1 47 47 GLU CB C 13 28.1 0.1 . 1 . . . . . . . . 4718 1 215 . 1 1 47 47 GLU N N 15 118.6 0.2 . 1 . . . . . . . . 4718 1 216 . 1 1 48 48 ILE H H 1 7.86 0.02 . 1 . . . . . . . . 4718 1 217 . 1 1 48 48 ILE C C 13 176.4 0.1 . 1 . . . . . . . . 4718 1 218 . 1 1 48 48 ILE CA C 13 61.5 0.1 . 1 . . . . . . . . 4718 1 219 . 1 1 48 48 ILE CB C 13 38.9 0.1 . 1 . . . . . . . . 4718 1 220 . 1 1 48 48 ILE N N 15 117.4 0.2 . 1 . . . . . . . . 4718 1 221 . 1 1 49 49 GLY H H 1 8.01 0.02 . 1 . . . . . . . . 4718 1 222 . 1 1 49 49 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 4718 1 223 . 1 1 49 49 GLY CA C 13 44.9 0.1 . 1 . . . . . . . . 4718 1 224 . 1 1 49 49 GLY N N 15 125.7 0.2 . 1 . . . . . . . . 4718 1 225 . 1 1 50 50 PHE H H 1 6.81 0.02 . 1 . . . . . . . . 4718 1 226 . 1 1 50 50 PHE C C 13 173.1 0.1 . 1 . . . . . . . . 4718 1 227 . 1 1 50 50 PHE CA C 13 54.1 0.1 . 1 . . . . . . . . 4718 1 228 . 1 1 50 50 PHE CB C 13 40.0 0.1 . 1 . . . . . . . . 4718 1 229 . 1 1 50 50 PHE N N 15 120.5 0.2 . 1 . . . . . . . . 4718 1 230 . 1 1 51 51 LYS H H 1 8.79 0.02 . 1 . . . . . . . . 4718 1 231 . 1 1 51 51 LYS C C 13 171.5 0.1 . 1 . . . . . . . . 4718 1 232 . 1 1 51 51 LYS CA C 13 51.7 0.1 . 1 . . . . . . . . 4718 1 233 . 1 1 51 51 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 4718 1 234 . 1 1 51 51 LYS N N 15 110.9 0.2 . 1 . . . . . . . . 4718 1 235 . 1 1 52 52 PRO C C 13 175.1 0.1 . 1 . . . . . . . . 4718 1 236 . 1 1 52 52 PRO CA C 13 61.0 0.1 . 1 . . . . . . . . 4718 1 237 . 1 1 52 52 PRO CB C 13 30.3 0.1 . 1 . . . . . . . . 4718 1 238 . 1 1 53 53 ASN H H 1 8.92 0.02 . 1 . . . . . . . . 4718 1 239 . 1 1 53 53 ASN HD21 H 1 7.74 0.02 . 1 . . . . . . . . 4718 1 240 . 1 1 53 53 ASN HD22 H 1 7.12 0.02 . 1 . . . . . . . . 4718 1 241 . 1 1 53 53 ASN C C 13 175.2 0.1 . 1 . . . . . . . . 4718 1 242 . 1 1 53 53 ASN CA C 13 51.5 0.1 . 1 . . . . . . . . 4718 1 243 . 1 1 53 53 ASN CB C 13 39.8 0.1 . 1 . . . . . . . . 4718 1 244 . 1 1 53 53 ASN N N 15 120.8 0.2 . 1 . . . . . . . . 4718 1 245 . 1 1 53 53 ASN ND2 N 15 113.4 0.2 . 1 . . . . . . . . 4718 1 246 . 1 1 54 54 HIS C C 13 176.6 0.1 . 1 . . . . . . . . 4718 1 247 . 1 1 54 54 HIS CA C 13 60.2 0.1 . 1 . . . . . . . . 4718 1 248 . 1 1 55 55 THR H H 1 7.88 0.02 . 1 . . . . . . . . 4718 1 249 . 1 1 55 55 THR C C 13 176.7 0.1 . 1 . . . . . . . . 4718 1 250 . 1 1 55 55 THR CA C 13 65.9 0.1 . 1 . . . . . . . . 4718 1 251 . 1 1 55 55 THR CB C 13 67.9 0.1 . 1 . . . . . . . . 4718 1 252 . 1 1 55 55 THR N N 15 114.3 0.2 . 1 . . . . . . . . 4718 1 253 . 1 1 56 56 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 4718 1 254 . 1 1 56 56 GLU C C 13 172.0 0.1 . 1 . . . . . . . . 4718 1 255 . 1 1 56 56 GLU CA C 13 58.2 0.1 . 1 . . . . . . . . 4718 1 256 . 1 1 56 56 GLU CB C 13 28.2 0.1 . 1 . . . . . . . . 4718 1 257 . 1 1 56 56 GLU N N 15 119.9 0.2 . 1 . . . . . . . . 4718 1 258 . 1 1 57 57 VAL H H 1 7.92 0.02 . 1 . . . . . . . . 4718 1 259 . 1 1 57 57 VAL C C 13 176.7 0.1 . 1 . . . . . . . . 4718 1 260 . 1 1 57 57 VAL CA C 13 67.0 0.1 . 1 . . . . . . . . 4718 1 261 . 1 1 57 57 VAL N N 15 120.8 0.2 . 1 . . . . . . . . 4718 1 262 . 1 1 58 58 TYR H H 1 8.31 0.02 . 1 . . . . . . . . 4718 1 263 . 1 1 58 58 TYR C C 13 178.7 0.1 . 1 . . . . . . . . 4718 1 264 . 1 1 58 58 TYR CA C 13 62.2 0.1 . 1 . . . . . . . . 4718 1 265 . 1 1 58 58 TYR CB C 13 37.1 0.1 . 1 . . . . . . . . 4718 1 266 . 1 1 58 58 TYR N N 15 117.4 0.2 . 1 . . . . . . . . 4718 1 267 . 1 1 59 59 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 4718 1 268 . 1 1 59 59 ARG C C 13 178.8 0.1 . 1 . . . . . . . . 4718 1 269 . 1 1 59 59 ARG CA C 13 58.9 0.1 . 1 . . . . . . . . 4718 1 270 . 1 1 59 59 ARG CB C 13 29.0 0.1 . 1 . . . . . . . . 4718 1 271 . 1 1 59 59 ARG N N 15 119.6 0.2 . 1 . . . . . . . . 4718 1 272 . 1 1 60 60 SER H H 1 7.83 0.02 . 1 . . . . . . . . 4718 1 273 . 1 1 60 60 SER C C 13 174.5 0.1 . 1 . . . . . . . . 4718 1 274 . 1 1 60 60 SER CA C 13 63.5 0.1 . 1 . . . . . . . . 4718 1 275 . 1 1 60 60 SER CB C 13 62.5 0.1 . 1 . . . . . . . . 4718 1 276 . 1 1 60 60 SER N N 15 116.5 0.2 . 1 . . . . . . . . 4718 1 277 . 1 1 61 61 LEU H H 1 7.44 0.02 . 1 . . . . . . . . 4718 1 278 . 1 1 61 61 LEU C C 13 178.1 0.1 . 1 . . . . . . . . 4718 1 279 . 1 1 61 61 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 4718 1 280 . 1 1 61 61 LEU CB C 13 41.0 0.1 . 1 . . . . . . . . 4718 1 281 . 1 1 61 61 LEU N N 15 120.8 0.2 . 1 . . . . . . . . 4718 1 282 . 1 1 62 62 HIS H H 1 8.27 0.02 . 1 . . . . . . . . 4718 1 283 . 1 1 62 62 HIS C C 13 177.3 0.1 . 1 . . . . . . . . 4718 1 284 . 1 1 62 62 HIS CA C 13 59.3 0.1 . 1 . . . . . . . . 4718 1 285 . 1 1 62 62 HIS CB C 13 27.6 0.1 . 1 . . . . . . . . 4718 1 286 . 1 1 62 62 HIS N N 15 114.6 0.2 . 1 . . . . . . . . 4718 1 287 . 1 1 63 63 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 4718 1 288 . 1 1 63 63 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 4718 1 289 . 1 1 63 63 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 4718 1 290 . 1 1 63 63 GLU N N 15 119.9 0.2 . 1 . . . . . . . . 4718 1 291 . 1 1 64 64 LEU H H 1 7.36 0.02 . 1 . . . . . . . . 4718 1 292 . 1 1 64 64 LEU C C 13 180.1 0.1 . 1 . . . . . . . . 4718 1 293 . 1 1 64 64 LEU CA C 13 57.5 0.1 . 1 . . . . . . . . 4718 1 294 . 1 1 64 64 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 4718 1 295 . 1 1 65 65 LEU H H 1 7.74 0.02 . 1 . . . . . . . . 4718 1 296 . 1 1 65 65 LEU C C 13 180.5 0.1 . 1 . . . . . . . . 4718 1 297 . 1 1 65 65 LEU CA C 13 56.9 0.1 . 1 . . . . . . . . 4718 1 298 . 1 1 65 65 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 4718 1 299 . 1 1 66 66 ASP H H 1 9.11 0.02 . 1 . . . . . . . . 4718 1 300 . 1 1 66 66 ASP C C 13 178.6 0.1 . 1 . . . . . . . . 4718 1 301 . 1 1 66 66 ASP CA C 13 57.0 0.1 . 1 . . . . . . . . 4718 1 302 . 1 1 66 66 ASP CB C 13 39.5 0.1 . 1 . . . . . . . . 4718 1 303 . 1 1 66 66 ASP N N 15 124.2 0.2 . 1 . . . . . . . . 4718 1 304 . 1 1 67 67 ASP H H 1 8.59 0.02 . 1 . . . . . . . . 4718 1 305 . 1 1 67 67 ASP C C 13 177.0 0.1 . 1 . . . . . . . . 4718 1 306 . 1 1 67 67 ASP CA C 13 54.5 0.1 . 1 . . . . . . . . 4718 1 307 . 1 1 67 67 ASP CB C 13 39.5 0.1 . 1 . . . . . . . . 4718 1 308 . 1 1 67 67 ASP N N 15 117.1 0.2 . 1 . . . . . . . . 4718 1 309 . 1 1 68 68 GLY H H 1 7.83 0.02 . 1 . . . . . . . . 4718 1 310 . 1 1 68 68 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 4718 1 311 . 1 1 68 68 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4718 1 312 . 1 1 68 68 GLY N N 15 126.4 0.2 . 1 . . . . . . . . 4718 1 313 . 1 1 69 69 ILE H H 1 7.99 0.02 . 1 . . . . . . . . 4718 1 314 . 1 1 69 69 ILE C C 13 177.8 0.1 . 1 . . . . . . . . 4718 1 315 . 1 1 69 69 ILE CA C 13 63.5 0.1 . 1 . . . . . . . . 4718 1 316 . 1 1 69 69 ILE N N 15 117.7 0.2 . 1 . . . . . . . . 4718 1 317 . 1 1 69 69 ILE CB C 13 37.2 0.1 . 1 . . . . . . . . 4718 1 318 . 1 1 70 70 LEU H H 1 7.09 0.02 . 1 . . . . . . . . 4718 1 319 . 1 1 70 70 LEU C C 13 174.6 0.1 . 1 . . . . . . . . 4718 1 320 . 1 1 70 70 LEU CA C 13 52.1 0.1 . 1 . . . . . . . . 4718 1 321 . 1 1 70 70 LEU CB C 13 45.7 0.1 . 1 . . . . . . . . 4718 1 322 . 1 1 70 70 LEU N N 15 117.7 0.2 . 1 . . . . . . . . 4718 1 323 . 1 1 71 71 LYS H H 1 9.10 0.02 . 1 . . . . . . . . 4718 1 324 . 1 1 71 71 LYS C C 13 173.0 0.1 . 1 . . . . . . . . 4718 1 325 . 1 1 71 71 LYS CA C 13 54.0 0.1 . 1 . . . . . . . . 4718 1 326 . 1 1 71 71 LYS CB C 13 35.2 0.1 . 1 . . . . . . . . 4718 1 327 . 1 1 71 71 LYS N N 15 115.6 0.2 . 1 . . . . . . . . 4718 1 328 . 1 1 72 72 GLN H H 1 8.74 0.02 . 1 . . . . . . . . 4718 1 329 . 1 1 72 72 GLN HE21 H 1 7.27 0.02 . 1 . . . . . . . . 4718 1 330 . 1 1 72 72 GLN HE22 H 1 7.03 0.02 . 1 . . . . . . . . 4718 1 331 . 1 1 72 72 GLN C C 13 174.6 0.1 . 1 . . . . . . . . 4718 1 332 . 1 1 72 72 GLN CA C 13 54.2 0.1 . 1 . . . . . . . . 4718 1 333 . 1 1 72 72 GLN CB C 13 30.8 0.1 . 1 . . . . . . . . 4718 1 334 . 1 1 72 72 GLN N N 15 121.7 0.2 . 1 . . . . . . . . 4718 1 335 . 1 1 72 72 GLN NE2 N 15 111.8 0.2 . 1 . . . . . . . . 4718 1 336 . 1 1 73 73 ILE H H 1 8.82 0.02 . 1 . . . . . . . . 4718 1 337 . 1 1 73 73 ILE C C 13 173.8 0.1 . 1 . . . . . . . . 4718 1 338 . 1 1 73 73 ILE CA C 13 58.8 0.1 . 1 . . . . . . . . 4718 1 339 . 1 1 73 73 ILE CB C 13 39.7 0.1 . 1 . . . . . . . . 4718 1 340 . 1 1 73 73 ILE N N 15 124.8 0.2 . 1 . . . . . . . . 4718 1 341 . 1 1 74 74 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 4718 1 342 . 1 1 74 74 LYS C C 13 176.1 0.1 . 1 . . . . . . . . 4718 1 343 . 1 1 74 74 LYS CA C 13 54.5 0.1 . 1 . . . . . . . . 4718 1 344 . 1 1 74 74 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 4718 1 345 . 1 1 74 74 LYS N N 15 123.0 0.2 . 1 . . . . . . . . 4718 1 346 . 1 1 75 75 VAL H H 1 8.83 0.02 . 1 . . . . . . . . 4718 1 347 . 1 1 75 75 VAL C C 13 174.8 0.1 . 1 . . . . . . . . 4718 1 348 . 1 1 75 75 VAL CA C 13 60.0 0.1 . 1 . . . . . . . . 4718 1 349 . 1 1 75 75 VAL CB C 13 33.8 0.1 . 1 . . . . . . . . 4718 1 350 . 1 1 75 75 VAL N N 15 122.0 0.2 . 1 . . . . . . . . 4718 1 351 . 1 1 76 76 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 4718 1 352 . 1 1 76 76 LYS C C 13 176.1 0.1 . 1 . . . . . . . . 4718 1 353 . 1 1 76 76 LYS CA C 13 55.3 0.1 . 1 . . . . . . . . 4718 1 354 . 1 1 76 76 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 4718 1 355 . 1 1 76 76 LYS N N 15 124.5 0.2 . 1 . . . . . . . . 4718 1 356 . 1 1 77 77 LYS H H 1 8.52 0.02 . 1 . . . . . . . . 4718 1 357 . 1 1 77 77 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 4718 1 358 . 1 1 77 77 LYS CA C 13 54.9 0.1 . 1 . . . . . . . . 4718 1 359 . 1 1 77 77 LYS CB C 13 33.5 0.1 . 1 . . . . . . . . 4718 1 360 . 1 1 77 77 LYS N N 15 124.8 0.2 . 1 . . . . . . . . 4718 1 361 . 1 1 78 78 GLU H H 1 8.64 0.02 . 1 . . . . . . . . 4718 1 362 . 1 1 78 78 GLU C C 13 176.9 0.1 . 1 . . . . . . . . 4718 1 363 . 1 1 78 78 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 4718 1 364 . 1 1 78 78 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 4718 1 365 . 1 1 78 78 GLU N N 15 124.2 0.2 . 1 . . . . . . . . 4718 1 366 . 1 1 79 79 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 4718 1 367 . 1 1 79 79 GLY C C 13 173.6 0.1 . 1 . . . . . . . . 4718 1 368 . 1 1 79 79 GLY CA C 13 44.5 0.1 . 1 . . . . . . . . 4718 1 369 . 1 1 79 79 GLY N N 15 111.2 0.2 . 1 . . . . . . . . 4718 1 370 . 1 1 80 80 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 4718 1 371 . 1 1 80 80 ALA C C 13 177.8 0.1 . 1 . . . . . . . . 4718 1 372 . 1 1 80 80 ALA CA C 13 52.1 0.1 . 1 . . . . . . . . 4718 1 373 . 1 1 80 80 ALA CB C 13 18.9 0.1 . 1 . . . . . . . . 4718 1 374 . 1 1 80 80 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 4718 1 375 . 1 1 81 81 LYS H H 1 8.18 0.02 . 1 . . . . . . . . 4718 1 376 . 1 1 81 81 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 4718 1 377 . 1 1 81 81 LYS CA C 13 56.0 0.1 . 1 . . . . . . . . 4718 1 378 . 1 1 81 81 LYS CB C 13 32.0 0.1 . 1 . . . . . . . . 4718 1 379 . 1 1 81 81 LYS N N 15 118.0 0.2 . 1 . . . . . . . . 4718 1 380 . 1 1 82 82 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 4718 1 381 . 1 1 82 82 LEU C C 13 176.7 0.1 . 1 . . . . . . . . 4718 1 382 . 1 1 82 82 LEU CA C 13 54.6 0.1 . 1 . . . . . . . . 4718 1 383 . 1 1 82 82 LEU CB C 13 40.7 0.1 . 1 . . . . . . . . 4718 1 384 . 1 1 82 82 LEU N N 15 121.1 0.2 . 1 . . . . . . . . 4718 1 385 . 1 1 83 83 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 4718 1 386 . 1 1 83 83 GLN HE21 H 1 7.53 0.02 . 1 . . . . . . . . 4718 1 387 . 1 1 83 83 GLN HE22 H 1 6.86 0.02 . 1 . . . . . . . . 4718 1 388 . 1 1 83 83 GLN C C 13 174.9 0.1 . 1 . . . . . . . . 4718 1 389 . 1 1 83 83 GLN CA C 13 55.1 0.1 . 1 . . . . . . . . 4718 1 390 . 1 1 83 83 GLN CB C 13 29.4 0.1 . 1 . . . . . . . . 4718 1 391 . 1 1 83 83 GLN N N 15 120.5 0.2 . 1 . . . . . . . . 4718 1 392 . 1 1 83 83 GLN NE2 N 15 112.2 0.2 . 1 . . . . . . . . 4718 1 393 . 1 1 84 84 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 4718 1 394 . 1 1 84 84 GLU C C 13 175.6 0.1 . 1 . . . . . . . . 4718 1 395 . 1 1 84 84 GLU CA C 13 55.1 0.1 . 1 . . . . . . . . 4718 1 396 . 1 1 84 84 GLU CB C 13 31.0 0.1 . 1 . . . . . . . . 4718 1 397 . 1 1 84 84 GLU N N 15 121.4 0.2 . 1 . . . . . . . . 4718 1 398 . 1 1 85 85 VAL H H 1 8.79 0.02 . 1 . . . . . . . . 4718 1 399 . 1 1 85 85 VAL C C 13 174.3 0.1 . 1 . . . . . . . . 4718 1 400 . 1 1 85 85 VAL CA C 13 60.5 0.1 . 1 . . . . . . . . 4718 1 401 . 1 1 85 85 VAL CB C 13 33.5 0.1 . 1 . . . . . . . . 4718 1 402 . 1 1 85 85 VAL N N 15 121.7 0.2 . 1 . . . . . . . . 4718 1 403 . 1 1 86 86 VAL H H 1 8.19 0.02 . 1 . . . . . . . . 4718 1 404 . 1 1 86 86 VAL C C 13 175.0 0.1 . 1 . . . . . . . . 4718 1 405 . 1 1 86 86 VAL CA C 13 61.4 0.1 . 1 . . . . . . . . 4718 1 406 . 1 1 86 86 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . 4718 1 407 . 1 1 86 86 VAL N N 15 123.6 0.2 . 1 . . . . . . . . 4718 1 408 . 1 1 87 87 LEU H H 1 8.94 0.02 . 1 . . . . . . . . 4718 1 409 . 1 1 87 87 LEU C C 13 173.5 0.1 . 1 . . . . . . . . 4718 1 410 . 1 1 87 87 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 4718 1 411 . 1 1 87 87 LEU CB C 13 43.9 0.1 . 1 . . . . . . . . 4718 1 412 . 1 1 87 87 LEU N N 15 110.3 0.2 . 1 . . . . . . . . 4718 1 413 . 1 1 88 88 TYR H H 1 7.58 0.02 . 1 . . . . . . . . 4718 1 414 . 1 1 88 88 TYR C C 13 174.3 0.1 . 1 . . . . . . . . 4718 1 415 . 1 1 88 88 TYR CA C 13 56.9 0.1 . 1 . . . . . . . . 4718 1 416 . 1 1 88 88 TYR CB C 13 39.7 0.1 . 1 . . . . . . . . 4718 1 417 . 1 1 88 88 TYR N N 15 118.3 0.2 . 1 . . . . . . . . 4718 1 418 . 1 1 89 89 GLN H H 1 8.43 0.02 . 1 . . . . . . . . 4718 1 419 . 1 1 89 89 GLN HE21 H 1 7.32 0.02 . 1 . . . . . . . . 4718 1 420 . 1 1 89 89 GLN HE22 H 1 6.87 0.02 . 1 . . . . . . . . 4718 1 421 . 1 1 89 89 GLN C C 13 175.0 0.1 . 1 . . . . . . . . 4718 1 422 . 1 1 89 89 GLN CA C 13 52.3 0.1 . 1 . . . . . . . . 4718 1 423 . 1 1 89 89 GLN CB C 13 33.3 0.1 . 1 . . . . . . . . 4718 1 424 . 1 1 89 89 GLN N N 15 118.3 0.2 . 1 . . . . . . . . 4718 1 425 . 1 1 89 89 GLN NE2 N 15 111.1 0.2 . 1 . . . . . . . . 4718 1 426 . 1 1 90 90 PHE H H 1 9.04 0.02 . 1 . . . . . . . . 4718 1 427 . 1 1 90 90 PHE C C 13 176.2 0.1 . 1 . . . . . . . . 4718 1 428 . 1 1 90 90 PHE CA C 13 60.4 0.1 . 1 . . . . . . . . 4718 1 429 . 1 1 90 90 PHE CB C 13 38.1 0.1 . 1 . . . . . . . . 4718 1 430 . 1 1 90 90 PHE N N 15 117.4 0.2 . 1 . . . . . . . . 4718 1 431 . 1 1 91 91 LYS H H 1 8.86 0.02 . 1 . . . . . . . . 4718 1 432 . 1 1 91 91 LYS C C 13 175.5 0.1 . 1 . . . . . . . . 4718 1 433 . 1 1 91 91 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 4718 1 434 . 1 1 91 91 LYS CB C 13 32.1 0.1 . 1 . . . . . . . . 4718 1 435 . 1 1 91 91 LYS N N 15 124.2 0.2 . 1 . . . . . . . . 4718 1 436 . 1 1 92 92 ASP H H 1 7.45 0.02 . 1 . . . . . . . . 4718 1 437 . 1 1 92 92 ASP C C 13 175.4 0.1 . 1 . . . . . . . . 4718 1 438 . 1 1 92 92 ASP CA C 13 52.2 0.1 . 1 . . . . . . . . 4718 1 439 . 1 1 92 92 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 4718 1 440 . 1 1 92 92 ASP N N 15 117.1 0.2 . 1 . . . . . . . . 4718 1 441 . 1 1 93 93 TYR H H 1 9.00 0.02 . 1 . . . . . . . . 4718 1 442 . 1 1 93 93 TYR C C 13 177.8 0.1 . 1 . . . . . . . . 4718 1 443 . 1 1 93 93 TYR CA C 13 58.5 0.1 . 1 . . . . . . . . 4718 1 444 . 1 1 93 93 TYR CB C 13 40.3 0.1 . 1 . . . . . . . . 4718 1 445 . 1 1 93 93 TYR N N 15 124.8 0.2 . 1 . . . . . . . . 4718 1 446 . 1 1 94 94 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 4718 1 447 . 1 1 94 94 GLU C C 13 179.6 0.1 . 1 . . . . . . . . 4718 1 448 . 1 1 94 94 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 4718 1 449 . 1 1 94 94 GLU CB C 13 32.0 0.1 . 1 . . . . . . . . 4718 1 450 . 1 1 94 94 GLU N N 15 118.3 0.2 . 1 . . . . . . . . 4718 1 451 . 1 1 95 95 ALA H H 1 7.86 0.02 . 1 . . . . . . . . 4718 1 452 . 1 1 95 95 ALA C C 13 181.0 0.1 . 1 . . . . . . . . 4718 1 453 . 1 1 95 95 ALA CA C 13 53.9 0.1 . 1 . . . . . . . . 4718 1 454 . 1 1 95 95 ALA CB C 13 17.4 0.1 . 1 . . . . . . . . 4718 1 455 . 1 1 95 95 ALA N N 15 122.3 0.2 . 1 . . . . . . . . 4718 1 456 . 1 1 96 96 ALA H H 1 7.59 0.02 . 1 . . . . . . . . 4718 1 457 . 1 1 96 96 ALA C C 13 178.7 0.1 . 1 . . . . . . . . 4718 1 458 . 1 1 96 96 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 4718 1 459 . 1 1 96 96 ALA CB C 13 18.5 0.1 . 1 . . . . . . . . 4718 1 460 . 1 1 96 96 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 4718 1 461 . 1 1 97 97 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 4718 1 462 . 1 1 97 97 LYS C C 13 180.1 0.1 . 1 . . . . . . . . 4718 1 463 . 1 1 97 97 LYS CA C 13 59.4 0.1 . 1 . . . . . . . . 4718 1 464 . 1 1 97 97 LYS CB C 13 31.0 0.1 . 1 . . . . . . . . 4718 1 465 . 1 1 97 97 LYS N N 15 117.4 0.2 . 1 . . . . . . . . 4718 1 466 . 1 1 98 98 LEU H H 1 7.78 0.02 . 1 . . . . . . . . 4718 1 467 . 1 1 98 98 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 4718 1 468 . 1 1 98 98 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 4718 1 469 . 1 1 98 98 LEU CB C 13 40.3 0.1 . 1 . . . . . . . . 4718 1 470 . 1 1 98 98 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 4718 1 471 . 1 1 99 99 TYR H H 1 8.05 0.02 . 1 . . . . . . . . 4718 1 472 . 1 1 99 99 TYR C C 13 178.0 0.1 . 1 . . . . . . . . 4718 1 473 . 1 1 99 99 TYR CA C 13 60.9 0.1 . 1 . . . . . . . . 4718 1 474 . 1 1 99 99 TYR N N 15 121.4 0.2 . 1 . . . . . . . . 4718 1 475 . 1 1 100 100 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 4718 1 476 . 1 1 100 100 LYS C C 13 177.9 0.1 . 1 . . . . . . . . 4718 1 477 . 1 1 100 100 LYS CA C 13 61.0 0.1 . 1 . . . . . . . . 4718 1 478 . 1 1 100 100 LYS CB C 13 31.6 0.1 . 1 . . . . . . . . 4718 1 479 . 1 1 100 100 LYS N N 15 117.1 0.2 . 1 . . . . . . . . 4718 1 480 . 1 1 101 101 LYS H H 1 7.76 0.02 . 1 . . . . . . . . 4718 1 481 . 1 1 101 101 LYS C C 13 179.5 0.1 . 1 . . . . . . . . 4718 1 482 . 1 1 101 101 LYS CA C 13 59.4 0.1 . 1 . . . . . . . . 4718 1 483 . 1 1 101 101 LYS CB C 13 31.2 0.1 . 1 . . . . . . . . 4718 1 484 . 1 1 101 101 LYS N N 15 117.4 0.2 . 1 . . . . . . . . 4718 1 485 . 1 1 102 102 GLN H H 1 7.87 0.02 . 1 . . . . . . . . 4718 1 486 . 1 1 102 102 GLN HE21 H 1 7.45 0.02 . 1 . . . . . . . . 4718 1 487 . 1 1 102 102 GLN HE22 H 1 6.83 0.02 . 1 . . . . . . . . 4718 1 488 . 1 1 102 102 GLN C C 13 179.1 0.1 . 1 . . . . . . . . 4718 1 489 . 1 1 102 102 GLN CA C 13 57.8 0.1 . 1 . . . . . . . . 4718 1 490 . 1 1 102 102 GLN CB C 13 27.0 0.1 . 1 . . . . . . . . 4718 1 491 . 1 1 102 102 GLN N N 15 119.0 0.2 . 1 . . . . . . . . 4718 1 492 . 1 1 102 102 GLN NE2 N 15 110.9 0.2 . 1 . . . . . . . . 4718 1 493 . 1 1 103 103 LEU H H 1 8.34 0.02 . 1 . . . . . . . . 4718 1 494 . 1 1 103 103 LEU C C 13 179.2 0.1 . 1 . . . . . . . . 4718 1 495 . 1 1 103 103 LEU CA C 13 54.6 0.1 . 1 . . . . . . . . 4718 1 496 . 1 1 103 103 LEU CB C 13 40.0 0.1 . 1 . . . . . . . . 4718 1 497 . 1 1 103 103 LEU N N 15 122.7 0.2 . 1 . . . . . . . . 4718 1 498 . 1 1 104 104 LYS H H 1 8.29 0.02 . 1 . . . . . . . . 4718 1 499 . 1 1 104 104 LYS C C 13 177.7 0.1 . 1 . . . . . . . . 4718 1 500 . 1 1 104 104 LYS CA C 13 59.0 0.1 . 1 . . . . . . . . 4718 1 501 . 1 1 104 104 LYS CB C 13 30.9 0.1 . 1 . . . . . . . . 4718 1 502 . 1 1 104 104 LYS N N 15 121.4 0.2 . 1 . . . . . . . . 4718 1 503 . 1 1 105 105 VAL H H 1 6.88 0.02 . 1 . . . . . . . . 4718 1 504 . 1 1 105 105 VAL C C 13 179.5 0.1 . 1 . . . . . . . . 4718 1 505 . 1 1 105 105 VAL CA C 13 65.4 0.1 . 1 . . . . . . . . 4718 1 506 . 1 1 105 105 VAL CB C 13 30.6 0.1 . 1 . . . . . . . . 4718 1 507 . 1 1 105 105 VAL N N 15 116.5 0.2 . 1 . . . . . . . . 4718 1 508 . 1 1 106 106 GLU H H 1 7.57 0.02 . 1 . . . . . . . . 4718 1 509 . 1 1 106 106 GLU C C 13 180.7 0.1 . 1 . . . . . . . . 4718 1 510 . 1 1 106 106 GLU CA C 13 58.6 0.1 . 1 . . . . . . . . 4718 1 511 . 1 1 106 106 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 4718 1 512 . 1 1 106 106 GLU N N 15 117.7 0.2 . 1 . . . . . . . . 4718 1 513 . 1 1 107 107 LEU H H 1 9.03 0.02 . 1 . . . . . . . . 4718 1 514 . 1 1 107 107 LEU C C 13 173.0 0.1 . 1 . . . . . . . . 4718 1 515 . 1 1 107 107 LEU CA C 13 57.8 0.1 . 1 . . . . . . . . 4718 1 516 . 1 1 107 107 LEU N N 15 123.3 0.2 . 1 . . . . . . . . 4718 1 517 . 1 1 108 108 ASP H H 1 8.74 0.02 . 1 . . . . . . . . 4718 1 518 . 1 1 108 108 ASP C C 13 179.5 0.1 . 1 . . . . . . . . 4718 1 519 . 1 1 108 108 ASP CA C 13 57.2 0.1 . 1 . . . . . . . . 4718 1 520 . 1 1 108 108 ASP N N 15 121.7 0.2 . 1 . . . . . . . . 4718 1 521 . 1 1 109 109 ARG H H 1 8.09 0.02 . 1 . . . . . . . . 4718 1 522 . 1 1 109 109 ARG C C 13 178.1 0.1 . 1 . . . . . . . . 4718 1 523 . 1 1 109 109 ARG CA C 13 59.1 0.1 . 1 . . . . . . . . 4718 1 524 . 1 1 109 109 ARG CB C 13 28.7 0.1 . 1 . . . . . . . . 4718 1 525 . 1 1 109 109 ARG N N 15 120.5 0.2 . 1 . . . . . . . . 4718 1 526 . 1 1 110 110 SER H H 1 7.16 0.02 . 1 . . . . . . . . 4718 1 527 . 1 1 110 110 SER HG H 1 4.90 0.02 . 1 . . . . . . . . 4718 1 528 . 1 1 110 110 SER C C 13 174.5 0.1 . 1 . . . . . . . . 4718 1 529 . 1 1 110 110 SER CA C 13 62.6 0.1 . 1 . . . . . . . . 4718 1 530 . 1 1 110 110 SER N N 15 114.6 0.2 . 1 . . . . . . . . 4718 1 531 . 1 1 111 111 LYS H H 1 8.60 0.02 . 1 . . . . . . . . 4718 1 532 . 1 1 111 111 LYS C C 13 177.6 0.1 . 1 . . . . . . . . 4718 1 533 . 1 1 111 111 LYS CA C 13 59.9 0.1 . 1 . . . . . . . . 4718 1 534 . 1 1 111 111 LYS N N 15 122.0 0.2 . 1 . . . . . . . . 4718 1 535 . 1 1 112 112 LYS H H 1 7.65 0.02 . 1 . . . . . . . . 4718 1 536 . 1 1 112 112 LYS C C 13 179.9 0.1 . 1 . . . . . . . . 4718 1 537 . 1 1 112 112 LYS CA C 13 59.0 0.1 . 1 . . . . . . . . 4718 1 538 . 1 1 112 112 LYS CB C 13 31.8 0.1 . 1 . . . . . . . . 4718 1 539 . 1 1 112 112 LYS N N 15 117.1 0.2 . 1 . . . . . . . . 4718 1 540 . 1 1 113 113 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 4718 1 541 . 1 1 113 113 LEU C C 13 178.5 0.1 . 1 . . . . . . . . 4718 1 542 . 1 1 113 113 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 4718 1 543 . 1 1 113 113 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 4718 1 544 . 1 1 113 113 LEU N N 15 121.1 0.2 . 1 . . . . . . . . 4718 1 545 . 1 1 114 114 ILE H H 1 8.04 0.02 . 1 . . . . . . . . 4718 1 546 . 1 1 114 114 ILE C C 13 177.7 0.1 . 1 . . . . . . . . 4718 1 547 . 1 1 114 114 ILE CA C 13 63.5 0.1 . 1 . . . . . . . . 4718 1 548 . 1 1 114 114 ILE N N 15 118.6 0.2 . 1 . . . . . . . . 4718 1 549 . 1 1 115 115 GLU H H 1 8.69 0.02 . 1 . . . . . . . . 4718 1 550 . 1 1 115 115 GLU C C 13 179.6 0.1 . 1 . . . . . . . . 4718 1 551 . 1 1 115 115 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 4718 1 552 . 1 1 115 115 GLU CB C 13 28.3 0.1 . 1 . . . . . . . . 4718 1 553 . 1 1 115 115 GLU N N 15 118.0 0.2 . 1 . . . . . . . . 4718 1 554 . 1 1 116 116 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 4718 1 555 . 1 1 116 116 LYS C C 13 177.5 0.1 . 1 . . . . . . . . 4718 1 556 . 1 1 116 116 LYS CA C 13 59.0 0.1 . 1 . . . . . . . . 4718 1 557 . 1 1 116 116 LYS N N 15 121.7 0.2 . 1 . . . . . . . . 4718 1 558 . 1 1 117 117 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 4718 1 559 . 1 1 117 117 ALA C C 13 182.1 0.1 . 1 . . . . . . . . 4718 1 560 . 1 1 117 117 ALA CA C 13 54.0 0.1 . 1 . . . . . . . . 4718 1 561 . 1 1 117 117 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . 4718 1 562 . 1 1 117 117 ALA N N 15 120.8 0.2 . 1 . . . . . . . . 4718 1 563 . 1 1 118 118 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 4718 1 564 . 1 1 118 118 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 4718 1 565 . 1 1 118 118 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 4718 1 566 . 1 1 118 118 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . 4718 1 567 . 1 1 118 118 LEU N N 15 119.3 0.2 . 1 . . . . . . . . 4718 1 568 . 1 1 119 119 SER H H 1 8.10 0.02 . 1 . . . . . . . . 4718 1 569 . 1 1 119 119 SER C C 13 176.9 0.1 . 1 . . . . . . . . 4718 1 570 . 1 1 119 119 SER CA C 13 60.3 0.1 . 1 . . . . . . . . 4718 1 571 . 1 1 119 119 SER CB C 13 63.2 0.1 . 1 . . . . . . . . 4718 1 572 . 1 1 119 119 SER N N 15 114.3 0.2 . 1 . . . . . . . . 4718 1 573 . 1 1 120 120 ASP H H 1 8.92 0.02 . 1 . . . . . . . . 4718 1 574 . 1 1 120 120 ASP C C 13 178.4 0.1 . 1 . . . . . . . . 4718 1 575 . 1 1 120 120 ASP CA C 13 55.8 0.1 . 1 . . . . . . . . 4718 1 576 . 1 1 120 120 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . 4718 1 577 . 1 1 120 120 ASP N N 15 116.8 0.2 . 1 . . . . . . . . 4718 1 578 . 1 1 121 121 ASN H H 1 6.99 0.02 . 1 . . . . . . . . 4718 1 579 . 1 1 121 121 ASN C C 13 171.5 0.1 . 1 . . . . . . . . 4718 1 580 . 1 1 121 121 ASN CA C 13 54.0 0.1 . 1 . . . . . . . . 4718 1 581 . 1 1 121 121 ASN CB C 13 41.2 0.1 . 1 . . . . . . . . 4718 1 582 . 1 1 121 121 ASN N N 15 111.2 0.2 . 1 . . . . . . . . 4718 1 583 . 1 1 122 122 PHE H H 1 7.02 0.02 . 1 . . . . . . . . 4718 1 584 . 1 1 122 122 PHE C C 13 179.7 0.1 . 1 . . . . . . . . 4718 1 585 . 1 1 122 122 PHE CA C 13 58.3 0.1 . 1 . . . . . . . . 4718 1 586 . 1 1 122 122 PHE CB C 13 40.8 0.1 . 1 . . . . . . . . 4718 1 587 . 1 1 122 122 PHE N N 15 120.5 0.2 . 1 . . . . . . . . 4718 1 stop_ save_