data_52345 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52345 _Entry.Title ; Backbone assignments of E. coli RfaH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-06 _Entry.Accession_date 2024-03-06 _Entry.Last_release_date 2024-03-06 _Entry.Original_release_date 2024-03-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Bjoern Burmann . M. . . 52345 2 Kristian Schweimer . . . . 52345 3 Paul Roesch . . . . 52345 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52345 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 448 52345 '15N chemical shifts' 135 52345 '1H chemical shifts' 135 52345 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 . . 2024-03-20 . original BMRB . 52345 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52345 _Citation.ID 1 _Citation.Name 'entry citation' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 22817892 _Citation.DOI 10.1016/j.cell.2012.05.042 _Citation.Full_citation . _Citation.Title ; An a helix to b barrel domain switch transforms the transcription factor RfaH into a translation factor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 150 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4172 _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 291 _Citation.Page_last 303 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bjorn Burmann B. M. . . 52345 1 2 Stefan Knauer S. H. . . 52345 1 3 Anastasia Sevostyanova A. . . . 52345 1 4 Kristian Schweimer K. . . . 52345 1 5 Rachel Mooney R. A. . . 52345 1 6 Robert Landick R. . . . 52345 1 7 Irina Artsimovitch I. . . . 52345 1 8 Paul Rosch P. . . . 52345 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52345 _Assembly.ID 1 _Assembly.Name RfaH _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 RfaH 1 $entity_1 . . yes native no no . . . 52345 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52345 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSHMQSWYLLYCKRGQLQRA QEHLERQAVNCLAPMITLEK IVRGKRTAVSEPLFPNYLFV EFDPEVIHTTTINATRGVSH FVRFGASPAIVPSAVIHQLS VYKPKDIVDPATPYPGDKVI ITEGAFEGFQAIFTEPDGEA RSMLLLNLINKEIKHSVKNT EFRKL ; _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state reduced _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes PDB 2OUG . 'Crystal Structure Of The Rfah Transcription Factor At 2.1a Resolution' . . . . . . . . . . . . . . 52345 1 2 yes DBJ BAB38193 . 'transcriptional activator RfaH [Escherichia coli O157:H7 str. Sakai]' . . . . . . . . . . . . . . 52345 1 3 yes DBJ BAE77461 . 'DNA-binding transcriptional antiterminator [Escherichia coli str. K12 substr. W3110]' . . . . . . . . . . . . . . 52345 1 4 yes DBJ BAG79652 . 'transcriptional activator [Escherichia coli SE11]' . . . . . . . . . . . . . . 52345 1 5 yes DBJ BAI27905 . 'DNA-binding transcriptional antiterminator RfaH [Escherichia coli O26:H11 str. 11368]' . . . . . . . . . . . . . . 52345 1 6 yes DBJ BAI33028 . 'DNA-binding transcriptional antiterminator RfaH [Escherichia coli O103:H2 str. 12009]' . . . . . . . . . . . . . . 52345 1 7 yes EMBL CAA46147 . 'transcriptional activator of haemolysin synthesis and secretion [Escherichia coli]' . . . . . . . . . . . . . . 52345 1 8 yes EMBL CAP78305 . 'Transcriptional activator rfaH [Escherichia coli LF82]' . . . . . . . . . . . . . . 52345 1 9 yes EMBL CAQ34199 . 'RfaH transcriptional antiterminator [Escherichia coli BL21(DE3)]' . . . . . . . . . . . . . . 52345 1 10 yes EMBL CAR00816 . 'DNA-binding transcriptional antiterminator [Escherichia coli IAI1]' . . . . . . . . . . . . . . 52345 1 11 yes EMBL CAR05481 . 'DNA-binding transcriptional antiterminator [Escherichia coli S88]' . . . . . . . . . . . . . . 52345 1 12 yes GB AAA67638 . 'also called sfrB, hlyT [Escherichia coli str. K-12 substr. MG1655]' . . . . . . . . . . . . . . 52345 1 13 yes GB AAA91060 . 'RfaH [Escherichia coli]' . . . . . . . . . . . . . . 52345 1 14 yes GB AAC76845 . 'transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]' . . . . . . . . . . . . . . 52345 1 15 yes GB AAG10071 . 'transcriptional activator RfaH [Escherichia coli]' . . . . . . . . . . . . . . 52345 1 16 yes GB AAG59036 . 'transcriptional activator affecting biosynthesis of lipopolysaccharide core, F pilin, and haemolysin [Escherichia coli O157:H7' . . . . . . . . . . . . . . 52345 1 17 yes REF NP_312797 . 'transcriptional activator RfaH [Escherichia coli O157:H7 str. Sakai]' . . . . . . . . . . . . . . 52345 1 18 yes REF NP_418284 . 'transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]' . . . . . . . . . . . . . . 52345 1 19 yes REF NP_709646 . 'transcriptional activator RfaH [Shigella flexneri 2a str. 301]' . . . . . . . . . . . . . . 52345 1 20 yes REF WP_001161073 . 'transcriptional regulator [Escherichia coli]' . . . . . . . . . . . . . . 52345 1 21 yes REF WP_001192387 . 'transcription antitermination protein RfaH [Escherichia coli]' . . . . . . . . . . . . . . 52345 1 22 yes SP P0AFW0 . 'RecName: Full=Transcription antitermination protein RfaH' . . . . . . . . . . . . . . 52345 1 23 yes SP P0AFW1 . 'RecName: Full=Transcription antitermination protein RfaH' . . . . . . . . . . . . . . 52345 1 24 yes SP Q0TAL4 . 'RecName: Full=Transcription antitermination protein RfaH' . . . . . . . . . . . . . . 52345 1 25 yes SP Q8FBI4 . 'RecName: Full=Transcription antitermination protein RfaH' . . . . . . . . . . . . . . 52345 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 . 52345 1 2 . SER . 52345 1 3 . HIS . 52345 1 4 . MET . 52345 1 5 . GLN . 52345 1 6 . SER . 52345 1 7 . TRP . 52345 1 8 . TYR . 52345 1 9 . LEU . 52345 1 10 . LEU . 52345 1 11 . TYR . 52345 1 12 . CYS . 52345 1 13 . LYS . 52345 1 14 . ARG . 52345 1 15 . GLY . 52345 1 16 . GLN . 52345 1 17 . LEU . 52345 1 18 . GLN . 52345 1 19 . ARG . 52345 1 20 . ALA . 52345 1 21 . GLN . 52345 1 22 . GLU . 52345 1 23 . HIS . 52345 1 24 . LEU . 52345 1 25 . GLU . 52345 1 26 . ARG . 52345 1 27 . GLN . 52345 1 28 . ALA . 52345 1 29 . VAL . 52345 1 30 . ASN . 52345 1 31 . CYS . 52345 1 32 . LEU . 52345 1 33 . ALA . 52345 1 34 . PRO . 52345 1 35 . MET . 52345 1 36 . ILE . 52345 1 37 . THR . 52345 1 38 . LEU . 52345 1 39 . GLU . 52345 1 40 . LYS . 52345 1 41 . ILE . 52345 1 42 . VAL . 52345 1 43 . ARG . 52345 1 44 . GLY . 52345 1 45 . LYS . 52345 1 46 . ARG . 52345 1 47 . THR . 52345 1 48 . ALA . 52345 1 49 . VAL . 52345 1 50 . SER . 52345 1 51 . GLU . 52345 1 52 . PRO . 52345 1 53 . LEU . 52345 1 54 . PHE . 52345 1 55 . PRO . 52345 1 56 . ASN . 52345 1 57 . TYR . 52345 1 58 . LEU . 52345 1 59 . PHE . 52345 1 60 . VAL . 52345 1 61 . GLU . 52345 1 62 . PHE . 52345 1 63 . ASP . 52345 1 64 . PRO . 52345 1 65 . GLU . 52345 1 66 . VAL . 52345 1 67 . ILE . 52345 1 68 . HIS . 52345 1 69 . THR . 52345 1 70 . THR . 52345 1 71 . THR . 52345 1 72 . ILE . 52345 1 73 . ASN . 52345 1 74 . ALA . 52345 1 75 . THR . 52345 1 76 . ARG . 52345 1 77 . GLY . 52345 1 78 . VAL . 52345 1 79 . SER . 52345 1 80 . HIS . 52345 1 81 . PHE . 52345 1 82 . VAL . 52345 1 83 . ARG . 52345 1 84 . PHE . 52345 1 85 . GLY . 52345 1 86 . ALA . 52345 1 87 . SER . 52345 1 88 . PRO . 52345 1 89 . ALA . 52345 1 90 . ILE . 52345 1 91 . VAL . 52345 1 92 . PRO . 52345 1 93 . SER . 52345 1 94 . ALA . 52345 1 95 . VAL . 52345 1 96 . ILE . 52345 1 97 . HIS . 52345 1 98 . GLN . 52345 1 99 . LEU . 52345 1 100 . SER . 52345 1 101 . VAL . 52345 1 102 . TYR . 52345 1 103 . LYS . 52345 1 104 . PRO . 52345 1 105 . LYS . 52345 1 106 . ASP . 52345 1 107 . ILE . 52345 1 108 . VAL . 52345 1 109 . ASP . 52345 1 110 . PRO . 52345 1 111 . ALA . 52345 1 112 . THR . 52345 1 113 . PRO . 52345 1 114 . TYR . 52345 1 115 . PRO . 52345 1 116 . GLY . 52345 1 117 . ASP . 52345 1 118 . LYS . 52345 1 119 . VAL . 52345 1 120 . ILE . 52345 1 121 . ILE . 52345 1 122 . THR . 52345 1 123 . GLU . 52345 1 124 . GLY . 52345 1 125 . ALA . 52345 1 126 . PHE . 52345 1 127 . GLU . 52345 1 128 . GLY . 52345 1 129 . PHE . 52345 1 130 . GLN . 52345 1 131 . ALA . 52345 1 132 . ILE . 52345 1 133 . PHE . 52345 1 134 . THR . 52345 1 135 . GLU . 52345 1 136 . PRO . 52345 1 137 . ASP . 52345 1 138 . GLY . 52345 1 139 . GLU . 52345 1 140 . ALA . 52345 1 141 . ARG . 52345 1 142 . SER . 52345 1 143 . MET . 52345 1 144 . LEU . 52345 1 145 . LEU . 52345 1 146 . LEU . 52345 1 147 . ASN . 52345 1 148 . LEU . 52345 1 149 . ILE . 52345 1 150 . ASN . 52345 1 151 . LYS . 52345 1 152 . GLU . 52345 1 153 . ILE . 52345 1 154 . LYS . 52345 1 155 . HIS . 52345 1 156 . SER . 52345 1 157 . VAL . 52345 1 158 . LYS . 52345 1 159 . ASN . 52345 1 160 . THR . 52345 1 161 . GLU . 52345 1 162 . PHE . 52345 1 163 . ARG . 52345 1 164 . LYS . 52345 1 165 . LEU . 52345 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 52345 1 . SER 2 2 52345 1 . HIS 3 3 52345 1 . MET 4 4 52345 1 . GLN 5 5 52345 1 . SER 6 6 52345 1 . TRP 7 7 52345 1 . TYR 8 8 52345 1 . LEU 9 9 52345 1 . LEU 10 10 52345 1 . TYR 11 11 52345 1 . CYS 12 12 52345 1 . LYS 13 13 52345 1 . ARG 14 14 52345 1 . GLY 15 15 52345 1 . GLN 16 16 52345 1 . LEU 17 17 52345 1 . GLN 18 18 52345 1 . ARG 19 19 52345 1 . ALA 20 20 52345 1 . GLN 21 21 52345 1 . GLU 22 22 52345 1 . HIS 23 23 52345 1 . LEU 24 24 52345 1 . GLU 25 25 52345 1 . ARG 26 26 52345 1 . GLN 27 27 52345 1 . ALA 28 28 52345 1 . VAL 29 29 52345 1 . ASN 30 30 52345 1 . CYS 31 31 52345 1 . LEU 32 32 52345 1 . ALA 33 33 52345 1 . PRO 34 34 52345 1 . MET 35 35 52345 1 . ILE 36 36 52345 1 . THR 37 37 52345 1 . LEU 38 38 52345 1 . GLU 39 39 52345 1 . LYS 40 40 52345 1 . ILE 41 41 52345 1 . VAL 42 42 52345 1 . ARG 43 43 52345 1 . GLY 44 44 52345 1 . LYS 45 45 52345 1 . ARG 46 46 52345 1 . THR 47 47 52345 1 . ALA 48 48 52345 1 . VAL 49 49 52345 1 . SER 50 50 52345 1 . GLU 51 51 52345 1 . PRO 52 52 52345 1 . LEU 53 53 52345 1 . PHE 54 54 52345 1 . PRO 55 55 52345 1 . ASN 56 56 52345 1 . TYR 57 57 52345 1 . LEU 58 58 52345 1 . PHE 59 59 52345 1 . VAL 60 60 52345 1 . GLU 61 61 52345 1 . PHE 62 62 52345 1 . ASP 63 63 52345 1 . PRO 64 64 52345 1 . GLU 65 65 52345 1 . VAL 66 66 52345 1 . ILE 67 67 52345 1 . HIS 68 68 52345 1 . THR 69 69 52345 1 . THR 70 70 52345 1 . THR 71 71 52345 1 . ILE 72 72 52345 1 . ASN 73 73 52345 1 . ALA 74 74 52345 1 . THR 75 75 52345 1 . ARG 76 76 52345 1 . GLY 77 77 52345 1 . VAL 78 78 52345 1 . SER 79 79 52345 1 . HIS 80 80 52345 1 . PHE 81 81 52345 1 . VAL 82 82 52345 1 . ARG 83 83 52345 1 . PHE 84 84 52345 1 . GLY 85 85 52345 1 . ALA 86 86 52345 1 . SER 87 87 52345 1 . PRO 88 88 52345 1 . ALA 89 89 52345 1 . ILE 90 90 52345 1 . VAL 91 91 52345 1 . PRO 92 92 52345 1 . SER 93 93 52345 1 . ALA 94 94 52345 1 . VAL 95 95 52345 1 . ILE 96 96 52345 1 . HIS 97 97 52345 1 . GLN 98 98 52345 1 . LEU 99 99 52345 1 . SER 100 100 52345 1 . VAL 101 101 52345 1 . TYR 102 102 52345 1 . LYS 103 103 52345 1 . PRO 104 104 52345 1 . LYS 105 105 52345 1 . ASP 106 106 52345 1 . ILE 107 107 52345 1 . VAL 108 108 52345 1 . ASP 109 109 52345 1 . PRO 110 110 52345 1 . ALA 111 111 52345 1 . THR 112 112 52345 1 . PRO 113 113 52345 1 . TYR 114 114 52345 1 . PRO 115 115 52345 1 . GLY 116 116 52345 1 . ASP 117 117 52345 1 . LYS 118 118 52345 1 . VAL 119 119 52345 1 . ILE 120 120 52345 1 . ILE 121 121 52345 1 . THR 122 122 52345 1 . GLU 123 123 52345 1 . GLY 124 124 52345 1 . ALA 125 125 52345 1 . PHE 126 126 52345 1 . GLU 127 127 52345 1 . GLY 128 128 52345 1 . PHE 129 129 52345 1 . GLN 130 130 52345 1 . ALA 131 131 52345 1 . ILE 132 132 52345 1 . PHE 133 133 52345 1 . THR 134 134 52345 1 . GLU 135 135 52345 1 . PRO 136 136 52345 1 . ASP 137 137 52345 1 . GLY 138 138 52345 1 . GLU 139 139 52345 1 . ALA 140 140 52345 1 . ARG 141 141 52345 1 . SER 142 142 52345 1 . MET 143 143 52345 1 . LEU 144 144 52345 1 . LEU 145 145 52345 1 . LEU 146 146 52345 1 . ASN 147 147 52345 1 . LEU 148 148 52345 1 . ILE 149 149 52345 1 . ASN 150 150 52345 1 . LYS 151 151 52345 1 . GLU 152 152 52345 1 . ILE 153 153 52345 1 . LYS 154 154 52345 1 . HIS 155 155 52345 1 . SER 156 156 52345 1 . VAL 157 157 52345 1 . LYS 158 158 52345 1 . ASN 159 159 52345 1 . THR 160 160 52345 1 . GLU 161 161 52345 1 . PHE 162 162 52345 1 . ARG 163 163 52345 1 . LYS 164 164 52345 1 . LEU 165 165 52345 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52345 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52345 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52345 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . BL21-DE3 . . . 52345 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52345 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM RfaH solved in NMR-buffer' _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 RfaH '[U-90%-2H; U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52345 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 52345 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52345 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52345 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 52345 1 6 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 52345 1 7 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52345 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 52345 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 1' _Sample_condition_list.Details '25 mM HEPES, 50 mM NaCl, pH 7.5' 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' 75 . mM 52345 1 pH 7.5 . pH 52345 1 pressure 1 . atm 52345 1 temperature 288 . K 52345 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52345 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52345 1 'data analysis' . 52345 1 'peak picking' . 52345 1 stop_ 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 52345 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 1' _NMR_spectrometer.Details 'equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52345 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52345 1 2 '3D TROSY-HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52345 1 3 '3D TROSY-HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52345 1 4 '3D TROSY-HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52345 1 5 '3D TROSY-HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52345 1 6 '3D TROSY-HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52345 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52345 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52345 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52345 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52345 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52345 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52345 1 2 '3D TROSY-HNCO' . . . 52345 1 3 '3D TROSY-HNCACB' . . . 52345 1 4 '3D TROSY-HNCA' . . . 52345 1 5 '3D TROSY-HN(CA)CO' . . . 52345 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52345 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 HIS C C 13 177.44 0.20 . 1 . . . . . 3 HIS C . 52345 1 2 . 1 . 1 3 3 HIS CA C 13 54.51 0.20 . 1 . . . . . 3 HIS CA . 52345 1 3 . 1 . 1 3 3 HIS CB C 13 31.50 0.20 . 1 . . . . . 3 HIS CB . 52345 1 4 . 1 . 1 4 4 MET H H 1 8.53 0.03 . 1 . . . . . 4 MET H . 52345 1 5 . 1 . 1 4 4 MET C C 13 175.97 0.20 . 1 . . . . . 4 MET C . 52345 1 6 . 1 . 1 4 4 MET CA C 13 54.48 0.20 . 1 . . . . . 4 MET CA . 52345 1 7 . 1 . 1 4 4 MET CB C 13 31.14 0.20 . 1 . . . . . 4 MET CB . 52345 1 8 . 1 . 1 4 4 MET N N 15 120.89 0.20 . 1 . . . . . 4 MET N . 52345 1 9 . 1 . 1 5 5 GLN H H 1 8.05 0.03 . 1 . . . . . 5 GLN H . 52345 1 10 . 1 . 1 5 5 GLN C C 13 175.74 0.20 . 1 . . . . . 5 GLN C . 52345 1 11 . 1 . 1 5 5 GLN CA C 13 55.51 0.20 . 1 . . . . . 5 GLN CA . 52345 1 12 . 1 . 1 5 5 GLN CB C 13 29.25 0.20 . 1 . . . . . 5 GLN CB . 52345 1 13 . 1 . 1 5 5 GLN N N 15 119.56 0.20 . 1 . . . . . 5 GLN N . 52345 1 14 . 1 . 1 6 6 SER H H 1 8.26 0.03 . 1 . . . . . 6 SER H . 52345 1 15 . 1 . 1 6 6 SER C C 13 170.18 0.20 . 1 . . . . . 6 SER C . 52345 1 16 . 1 . 1 6 6 SER CA C 13 57.35 0.20 . 1 . . . . . 6 SER CA . 52345 1 17 . 1 . 1 6 6 SER CB C 13 66.10 0.20 . 1 . . . . . 6 SER CB . 52345 1 18 . 1 . 1 6 6 SER N N 15 119.71 0.20 . 1 . . . . . 6 SER N . 52345 1 19 . 1 . 1 7 7 TRP H H 1 8.44 0.03 . 1 . . . . . 7 TRP H . 52345 1 20 . 1 . 1 7 7 TRP C C 13 174.87 0.20 . 1 . . . . . 7 TRP C . 52345 1 21 . 1 . 1 7 7 TRP CA C 13 56.69 0.20 . 1 . . . . . 7 TRP CA . 52345 1 22 . 1 . 1 7 7 TRP CB C 13 30.64 0.20 . 1 . . . . . 7 TRP CB . 52345 1 23 . 1 . 1 7 7 TRP N N 15 120.50 0.20 . 1 . . . . . 7 TRP N . 52345 1 24 . 1 . 1 7 7 TRP NE1 N 15 128.53 0.20 . 1 . . . . . 7 TRP NE1 . 52345 1 25 . 1 . 1 8 8 TYR H H 1 10.04 0.03 . 1 . . . . . 8 TYR H . 52345 1 26 . 1 . 1 8 8 TYR C C 13 174.37 0.20 . 1 . . . . . 8 TYR C . 52345 1 27 . 1 . 1 8 8 TYR CA C 13 56.38 0.20 . 1 . . . . . 8 TYR CA . 52345 1 28 . 1 . 1 8 8 TYR CB C 13 41.68 0.20 . 1 . . . . . 8 TYR CB . 52345 1 29 . 1 . 1 8 8 TYR N N 15 120.53 0.20 . 1 . . . . . 8 TYR N . 52345 1 30 . 1 . 1 9 9 LEU H H 1 10.07 0.03 . 1 . . . . . 9 LEU H . 52345 1 31 . 1 . 1 9 9 LEU C C 13 173.65 0.20 . 1 . . . . . 9 LEU C . 52345 1 32 . 1 . 1 9 9 LEU CA C 13 53.70 0.20 . 1 . . . . . 9 LEU CA . 52345 1 33 . 1 . 1 9 9 LEU CB C 13 45.25 0.20 . 1 . . . . . 9 LEU CB . 52345 1 34 . 1 . 1 9 9 LEU N N 15 123.34 0.20 . 1 . . . . . 9 LEU N . 52345 1 35 . 1 . 1 10 10 LEU H H 1 9.16 0.03 . 1 . . . . . 10 LEU H . 52345 1 36 . 1 . 1 10 10 LEU C C 13 175.18 0.20 . 1 . . . . . 10 LEU C . 52345 1 37 . 1 . 1 10 10 LEU CA C 13 52.05 0.20 . 1 . . . . . 10 LEU CA . 52345 1 38 . 1 . 1 10 10 LEU CB C 13 43.33 0.20 . 1 . . . . . 10 LEU CB . 52345 1 39 . 1 . 1 10 10 LEU N N 15 124.26 0.20 . 1 . . . . . 10 LEU N . 52345 1 40 . 1 . 1 11 11 TYR H H 1 8.79 0.03 . 1 . . . . . 11 TYR H . 52345 1 41 . 1 . 1 11 11 TYR CA C 13 56.28 0.20 . 1 . . . . . 11 TYR CA . 52345 1 42 . 1 . 1 11 11 TYR CB C 13 39.27 0.20 . 1 . . . . . 11 TYR CB . 52345 1 43 . 1 . 1 11 11 TYR N N 15 121.80 0.20 . 1 . . . . . 11 TYR N . 52345 1 44 . 1 . 1 12 12 CYS H H 1 8.38 0.03 . 1 . . . . . 12 CYS H . 52345 1 45 . 1 . 1 12 12 CYS C C 13 172.28 0.20 . 1 . . . . . 12 CYS C . 52345 1 46 . 1 . 1 12 12 CYS CA C 13 58.65 0.20 . 1 . . . . . 12 CYS CA . 52345 1 47 . 1 . 1 12 12 CYS CB C 13 28.60 0.20 . 1 . . . . . 12 CYS CB . 52345 1 48 . 1 . 1 12 12 CYS N N 15 125.97 0.20 . 1 . . . . . 12 CYS N . 52345 1 49 . 1 . 1 13 13 LYS H H 1 8.10 0.03 . 1 . . . . . 13 LYS H . 52345 1 50 . 1 . 1 13 13 LYS C C 13 172.25 0.20 . 1 . . . . . 13 LYS C . 52345 1 51 . 1 . 1 13 13 LYS CA C 13 55.94 0.20 . 1 . . . . . 13 LYS CA . 52345 1 52 . 1 . 1 13 13 LYS CB C 13 32.16 0.20 . 1 . . . . . 13 LYS CB . 52345 1 53 . 1 . 1 13 13 LYS N N 15 118.49 0.20 . 1 . . . . . 13 LYS N . 52345 1 54 . 1 . 1 15 15 GLY C C 13 176.02 0.20 . 1 . . . . . 15 GLY C . 52345 1 55 . 1 . 1 15 15 GLY CA C 13 45.55 0.20 . 1 . . . . . 15 GLY CA . 52345 1 56 . 1 . 1 16 16 GLN H H 1 8.18 0.03 . 1 . . . . . 16 GLN H . 52345 1 57 . 1 . 1 16 16 GLN C C 13 175.56 0.20 . 1 . . . . . 16 GLN C . 52345 1 58 . 1 . 1 16 16 GLN CA C 13 54.91 0.20 . 1 . . . . . 16 GLN CA . 52345 1 59 . 1 . 1 16 16 GLN CB C 13 29.11 0.20 . 1 . . . . . 16 GLN CB . 52345 1 60 . 1 . 1 16 16 GLN N N 15 116.44 0.20 . 1 . . . . . 16 GLN N . 52345 1 61 . 1 . 1 17 17 LEU H H 1 7.89 0.03 . 1 . . . . . 17 LEU H . 52345 1 62 . 1 . 1 17 17 LEU C C 13 177.92 0.20 . 1 . . . . . 17 LEU C . 52345 1 63 . 1 . 1 17 17 LEU CA C 13 59.67 0.20 . 1 . . . . . 17 LEU CA . 52345 1 64 . 1 . 1 17 17 LEU CB C 13 40.88 0.20 . 1 . . . . . 17 LEU CB . 52345 1 65 . 1 . 1 17 17 LEU N N 15 123.03 0.20 . 1 . . . . . 17 LEU N . 52345 1 66 . 1 . 1 18 18 GLN H H 1 8.57 0.03 . 1 . . . . . 18 GLN H . 52345 1 67 . 1 . 1 18 18 GLN C C 13 178.74 0.20 . 1 . . . . . 18 GLN C . 52345 1 68 . 1 . 1 18 18 GLN CA C 13 59.10 0.20 . 1 . . . . . 18 GLN CA . 52345 1 69 . 1 . 1 18 18 GLN CB C 13 27.08 0.20 . 1 . . . . . 18 GLN CB . 52345 1 70 . 1 . 1 18 18 GLN N N 15 116.57 0.20 . 1 . . . . . 18 GLN N . 52345 1 71 . 1 . 1 19 19 ARG H H 1 7.57 0.03 . 1 . . . . . 19 ARG H . 52345 1 72 . 1 . 1 19 19 ARG C C 13 178.73 0.20 . 1 . . . . . 19 ARG C . 52345 1 73 . 1 . 1 19 19 ARG CA C 13 57.91 0.20 . 1 . . . . . 19 ARG CA . 52345 1 74 . 1 . 1 19 19 ARG CB C 13 29.06 0.20 . 1 . . . . . 19 ARG CB . 52345 1 75 . 1 . 1 19 19 ARG N N 15 119.14 0.20 . 1 . . . . . 19 ARG N . 52345 1 76 . 1 . 1 20 20 ALA H H 1 8.14 0.03 . 1 . . . . . 20 ALA H . 52345 1 77 . 1 . 1 20 20 ALA C C 13 179.21 0.20 . 1 . . . . . 20 ALA C . 52345 1 78 . 1 . 1 20 20 ALA CA C 13 54.97 0.20 . 1 . . . . . 20 ALA CA . 52345 1 79 . 1 . 1 20 20 ALA CB C 13 17.55 0.20 . 1 . . . . . 20 ALA CB . 52345 1 80 . 1 . 1 20 20 ALA N N 15 124.12 0.20 . 1 . . . . . 20 ALA N . 52345 1 81 . 1 . 1 21 21 GLN H H 1 8.86 0.03 . 1 . . . . . 21 GLN H . 52345 1 82 . 1 . 1 21 21 GLN C C 13 177.86 0.20 . 1 . . . . . 21 GLN C . 52345 1 83 . 1 . 1 21 21 GLN CA C 13 59.07 0.20 . 1 . . . . . 21 GLN CA . 52345 1 84 . 1 . 1 21 21 GLN CB C 13 27.08 0.20 . 1 . . . . . 21 GLN CB . 52345 1 85 . 1 . 1 21 21 GLN N N 15 117.54 0.20 . 1 . . . . . 21 GLN N . 52345 1 86 . 1 . 1 22 22 GLU H H 1 8.10 0.03 . 1 . . . . . 22 GLU H . 52345 1 87 . 1 . 1 22 22 GLU C C 13 179.57 0.20 . 1 . . . . . 22 GLU C . 52345 1 88 . 1 . 1 22 22 GLU CA C 13 59.02 0.20 . 1 . . . . . 22 GLU CA . 52345 1 89 . 1 . 1 22 22 GLU CB C 13 28.60 0.20 . 1 . . . . . 22 GLU CB . 52345 1 90 . 1 . 1 22 22 GLU N N 15 117.73 0.20 . 1 . . . . . 22 GLU N . 52345 1 91 . 1 . 1 23 23 HIS H H 1 7.97 0.03 . 1 . . . . . 23 HIS H . 52345 1 92 . 1 . 1 23 23 HIS C C 13 179.21 0.20 . 1 . . . . . 23 HIS C . 52345 1 93 . 1 . 1 23 23 HIS CA C 13 59.35 0.20 . 1 . . . . . 23 HIS CA . 52345 1 94 . 1 . 1 23 23 HIS CB C 13 30.66 0.20 . 1 . . . . . 23 HIS CB . 52345 1 95 . 1 . 1 23 23 HIS N N 15 117.74 0.20 . 1 . . . . . 23 HIS N . 52345 1 96 . 1 . 1 24 24 LEU H H 1 8.84 0.03 . 1 . . . . . 24 LEU H . 52345 1 97 . 1 . 1 24 24 LEU C C 13 179.77 0.20 . 1 . . . . . 24 LEU C . 52345 1 98 . 1 . 1 24 24 LEU CA C 13 58.00 0.20 . 1 . . . . . 24 LEU CA . 52345 1 99 . 1 . 1 24 24 LEU CB C 13 39.78 0.20 . 1 . . . . . 24 LEU CB . 52345 1 100 . 1 . 1 24 24 LEU N N 15 122.00 0.20 . 1 . . . . . 24 LEU N . 52345 1 101 . 1 . 1 25 25 GLU H H 1 9.06 0.03 . 1 . . . . . 25 GLU H . 52345 1 102 . 1 . 1 25 25 GLU C C 13 181.61 0.20 . 1 . . . . . 25 GLU C . 52345 1 103 . 1 . 1 25 25 GLU CA C 13 59.21 0.20 . 1 . . . . . 25 GLU CA . 52345 1 104 . 1 . 1 25 25 GLU CB C 13 28.10 0.20 . 1 . . . . . 25 GLU CB . 52345 1 105 . 1 . 1 25 25 GLU N N 15 121.17 0.20 . 1 . . . . . 25 GLU N . 52345 1 106 . 1 . 1 26 26 ARG H H 1 7.65 0.03 . 1 . . . . . 26 ARG H . 52345 1 107 . 1 . 1 26 26 ARG C C 13 177.51 0.20 . 1 . . . . . 26 ARG C . 52345 1 108 . 1 . 1 26 26 ARG CA C 13 58.12 0.20 . 1 . . . . . 26 ARG CA . 52345 1 109 . 1 . 1 26 26 ARG CB C 13 29.62 0.20 . 1 . . . . . 26 ARG CB . 52345 1 110 . 1 . 1 26 26 ARG N N 15 119.12 0.20 . 1 . . . . . 26 ARG N . 52345 1 111 . 1 . 1 27 27 GLN H H 1 7.49 0.03 . 1 . . . . . 27 GLN H . 52345 1 112 . 1 . 1 27 27 GLN C C 13 173.94 0.20 . 1 . . . . . 27 GLN C . 52345 1 113 . 1 . 1 27 27 GLN CA C 13 54.79 0.20 . 1 . . . . . 27 GLN CA . 52345 1 114 . 1 . 1 27 27 GLN CB C 13 29.36 0.20 . 1 . . . . . 27 GLN CB . 52345 1 115 . 1 . 1 27 27 GLN N N 15 117.84 0.20 . 1 . . . . . 27 GLN N . 52345 1 116 . 1 . 1 28 28 ALA H H 1 7.88 0.03 . 1 . . . . . 28 ALA H . 52345 1 117 . 1 . 1 28 28 ALA C C 13 176.01 0.20 . 1 . . . . . 28 ALA C . 52345 1 118 . 1 . 1 28 28 ALA CA C 13 52.91 0.20 . 1 . . . . . 28 ALA CA . 52345 1 119 . 1 . 1 28 28 ALA CB C 13 15.40 0.20 . 1 . . . . . 28 ALA CB . 52345 1 120 . 1 . 1 28 28 ALA N N 15 116.95 0.20 . 1 . . . . . 28 ALA N . 52345 1 121 . 1 . 1 29 29 VAL H H 1 7.65 0.03 . 1 . . . . . 29 VAL H . 52345 1 122 . 1 . 1 29 29 VAL C C 13 175.57 0.20 . 1 . . . . . 29 VAL C . 52345 1 123 . 1 . 1 29 29 VAL CA C 13 61.62 0.20 . 1 . . . . . 29 VAL CA . 52345 1 124 . 1 . 1 29 29 VAL CB C 13 31.65 0.20 . 1 . . . . . 29 VAL CB . 52345 1 125 . 1 . 1 29 29 VAL N N 15 120.63 0.20 . 1 . . . . . 29 VAL N . 52345 1 126 . 1 . 1 30 30 ASN H H 1 7.95 0.03 . 1 . . . . . 30 ASN H . 52345 1 127 . 1 . 1 30 30 ASN C C 13 174.30 0.20 . 1 . . . . . 30 ASN C . 52345 1 128 . 1 . 1 30 30 ASN CA C 13 52.88 0.20 . 1 . . . . . 30 ASN CA . 52345 1 129 . 1 . 1 30 30 ASN CB C 13 38.76 0.20 . 1 . . . . . 30 ASN CB . 52345 1 130 . 1 . 1 30 30 ASN N N 15 125.20 0.20 . 1 . . . . . 30 ASN N . 52345 1 131 . 1 . 1 31 31 CYS H H 1 8.85 0.03 . 1 . . . . . 31 CYS H . 52345 1 132 . 1 . 1 31 31 CYS C C 13 174.62 0.20 . 1 . . . . . 31 CYS C . 52345 1 133 . 1 . 1 31 31 CYS CA C 13 57.51 0.20 . 1 . . . . . 31 CYS CA . 52345 1 134 . 1 . 1 31 31 CYS CB C 13 32.16 0.20 . 1 . . . . . 31 CYS CB . 52345 1 135 . 1 . 1 31 31 CYS N N 15 119.41 0.20 . 1 . . . . . 31 CYS N . 52345 1 136 . 1 . 1 32 32 LEU H H 1 9.50 0.03 . 1 . . . . . 32 LEU H . 52345 1 137 . 1 . 1 32 32 LEU C C 13 174.38 0.20 . 1 . . . . . 32 LEU C . 52345 1 138 . 1 . 1 32 32 LEU CA C 13 55.00 0.20 . 1 . . . . . 32 LEU CA . 52345 1 139 . 1 . 1 32 32 LEU CB C 13 45.87 0.20 . 1 . . . . . 32 LEU CB . 52345 1 140 . 1 . 1 32 32 LEU N N 15 123.76 0.20 . 1 . . . . . 32 LEU N . 52345 1 141 . 1 . 1 33 33 ALA H H 1 9.14 0.03 . 1 . . . . . 33 ALA H . 52345 1 142 . 1 . 1 33 33 ALA C C 13 173.53 0.20 . 1 . . . . . 33 ALA C . 52345 1 143 . 1 . 1 33 33 ALA CA C 13 48.86 0.20 . 1 . . . . . 33 ALA CA . 52345 1 144 . 1 . 1 33 33 ALA CB C 13 18.45 0.20 . 1 . . . . . 33 ALA CB . 52345 1 145 . 1 . 1 33 33 ALA N N 15 128.95 0.20 . 1 . . . . . 33 ALA N . 52345 1 146 . 1 . 1 34 34 PRO C C 13 176.37 0.20 . 1 . . . . . 34 PRO C . 52345 1 147 . 1 . 1 34 34 PRO CA C 13 62.53 0.20 . 1 . . . . . 34 PRO CA . 52345 1 148 . 1 . 1 34 34 PRO CB C 13 31.65 0.20 . 1 . . . . . 34 PRO CB . 52345 1 149 . 1 . 1 35 35 MET H H 1 8.82 0.03 . 1 . . . . . 35 MET H . 52345 1 150 . 1 . 1 35 35 MET C C 13 174.60 0.20 . 1 . . . . . 35 MET C . 52345 1 151 . 1 . 1 35 35 MET CA C 13 53.04 0.20 . 1 . . . . . 35 MET CA . 52345 1 152 . 1 . 1 35 35 MET CB C 13 33.68 0.20 . 1 . . . . . 35 MET CB . 52345 1 153 . 1 . 1 35 35 MET N N 15 121.53 0.20 . 1 . . . . . 35 MET N . 52345 1 154 . 1 . 1 36 36 ILE H H 1 9.33 0.03 . 1 . . . . . 36 ILE H . 52345 1 155 . 1 . 1 36 36 ILE C C 13 172.57 0.20 . 1 . . . . . 36 ILE C . 52345 1 156 . 1 . 1 36 36 ILE CA C 13 59.16 0.20 . 1 . . . . . 36 ILE CA . 52345 1 157 . 1 . 1 36 36 ILE CB C 13 41.30 0.20 . 1 . . . . . 36 ILE CB . 52345 1 158 . 1 . 1 36 36 ILE N N 15 120.29 0.20 . 1 . . . . . 36 ILE N . 52345 1 159 . 1 . 1 37 37 THR H H 1 8.22 0.03 . 1 . . . . . 37 THR H . 52345 1 160 . 1 . 1 37 37 THR C C 13 173.51 0.20 . 1 . . . . . 37 THR C . 52345 1 161 . 1 . 1 37 37 THR CA C 13 61.09 0.20 . 1 . . . . . 37 THR CA . 52345 1 162 . 1 . 1 37 37 THR CB C 13 69.23 0.20 . 1 . . . . . 37 THR CB . 52345 1 163 . 1 . 1 37 37 THR N N 15 122.04 0.20 . 1 . . . . . 37 THR N . 52345 1 164 . 1 . 1 38 38 LEU H H 1 8.98 0.03 . 1 . . . . . 38 LEU H . 52345 1 165 . 1 . 1 38 38 LEU C C 13 175.02 0.20 . 1 . . . . . 38 LEU C . 52345 1 166 . 1 . 1 38 38 LEU CA C 13 52.99 0.20 . 1 . . . . . 38 LEU CA . 52345 1 167 . 1 . 1 38 38 LEU CB C 13 44.35 0.20 . 1 . . . . . 38 LEU CB . 52345 1 168 . 1 . 1 38 38 LEU N N 15 127.57 0.20 . 1 . . . . . 38 LEU N . 52345 1 169 . 1 . 1 39 39 GLU H H 1 8.57 0.03 . 1 . . . . . 39 GLU H . 52345 1 170 . 1 . 1 39 39 GLU C C 13 175.95 0.20 . 1 . . . . . 39 GLU C . 52345 1 171 . 1 . 1 39 39 GLU CA C 13 55.44 0.20 . 1 . . . . . 39 GLU CA . 52345 1 172 . 1 . 1 39 39 GLU CB C 13 30.13 0.20 . 1 . . . . . 39 GLU CB . 52345 1 173 . 1 . 1 39 39 GLU N N 15 120.50 0.20 . 1 . . . . . 39 GLU N . 52345 1 174 . 1 . 1 40 40 LYS H H 1 8.91 0.03 . 1 . . . . . 40 LYS H . 52345 1 175 . 1 . 1 40 40 LYS C C 13 174.70 0.20 . 1 . . . . . 40 LYS C . 52345 1 176 . 1 . 1 40 40 LYS CA C 13 54.13 0.20 . 1 . . . . . 40 LYS CA . 52345 1 177 . 1 . 1 40 40 LYS CB C 13 35.72 0.20 . 1 . . . . . 40 LYS CB . 52345 1 178 . 1 . 1 40 40 LYS N N 15 124.82 0.20 . 1 . . . . . 40 LYS N . 52345 1 179 . 1 . 1 41 41 ILE H H 1 8.70 0.03 . 1 . . . . . 41 ILE H . 52345 1 180 . 1 . 1 41 41 ILE C C 13 176.21 0.20 . 1 . . . . . 41 ILE C . 52345 1 181 . 1 . 1 41 41 ILE CA C 13 60.05 0.20 . 1 . . . . . 41 ILE CA . 52345 1 182 . 1 . 1 41 41 ILE CB C 13 35.21 0.20 . 1 . . . . . 41 ILE CB . 52345 1 183 . 1 . 1 41 41 ILE N N 15 121.85 0.20 . 1 . . . . . 41 ILE N . 52345 1 184 . 1 . 1 42 42 VAL H H 1 8.69 0.03 . 1 . . . . . 42 VAL H . 52345 1 185 . 1 . 1 42 42 VAL C C 13 176.10 0.20 . 1 . . . . . 42 VAL C . 52345 1 186 . 1 . 1 42 42 VAL CA C 13 61.36 0.20 . 1 . . . . . 42 VAL CA . 52345 1 187 . 1 . 1 42 42 VAL CB C 13 33.17 0.20 . 1 . . . . . 42 VAL CB . 52345 1 188 . 1 . 1 42 42 VAL N N 15 129.76 0.20 . 1 . . . . . 42 VAL N . 52345 1 189 . 1 . 1 43 43 ARG C C 13 176.75 0.20 . 1 . . . . . 43 ARG C . 52345 1 190 . 1 . 1 43 43 ARG CA C 13 56.69 0.20 . 1 . . . . . 43 ARG CA . 52345 1 191 . 1 . 1 43 43 ARG CB C 13 27.08 0.20 . 1 . . . . . 43 ARG CB . 52345 1 192 . 1 . 1 44 44 GLY H H 1 8.24 0.03 . 1 . . . . . 44 GLY H . 52345 1 193 . 1 . 1 44 44 GLY C C 13 173.69 0.20 . 1 . . . . . 44 GLY C . 52345 1 194 . 1 . 1 44 44 GLY CA C 13 44.95 0.20 . 1 . . . . . 44 GLY CA . 52345 1 195 . 1 . 1 44 44 GLY N N 15 102.22 0.20 . 1 . . . . . 44 GLY N . 52345 1 196 . 1 . 1 45 45 LYS H H 1 7.81 0.03 . 1 . . . . . 45 LYS H . 52345 1 197 . 1 . 1 45 45 LYS C C 13 176.24 0.20 . 1 . . . . . 45 LYS C . 52345 1 198 . 1 . 1 45 45 LYS CA C 13 54.02 0.20 . 1 . . . . . 45 LYS CA . 52345 1 199 . 1 . 1 45 45 LYS CB C 13 34.19 0.20 . 1 . . . . . 45 LYS CB . 52345 1 200 . 1 . 1 45 45 LYS N N 15 120.80 0.20 . 1 . . . . . 45 LYS N . 52345 1 201 . 1 . 1 46 46 ARG C C 13 175.97 0.20 . 1 . . . . . 46 ARG C . 52345 1 202 . 1 . 1 46 46 ARG CA C 13 57.29 0.20 . 1 . . . . . 46 ARG CA . 52345 1 203 . 1 . 1 46 46 ARG CB C 13 29.11 0.20 . 1 . . . . . 46 ARG CB . 52345 1 204 . 1 . 1 47 47 THR H H 1 9.23 0.03 . 1 . . . . . 47 THR H . 52345 1 205 . 1 . 1 47 47 THR C C 13 171.57 0.20 . 1 . . . . . 47 THR C . 52345 1 206 . 1 . 1 47 47 THR CA C 13 61.16 0.20 . 1 . . . . . 47 THR CA . 52345 1 207 . 1 . 1 47 47 THR CB C 13 71.77 0.20 . 1 . . . . . 47 THR CB . 52345 1 208 . 1 . 1 47 47 THR N N 15 123.69 0.20 . 1 . . . . . 47 THR N . 52345 1 209 . 1 . 1 48 48 ALA H H 1 8.56 0.03 . 1 . . . . . 48 ALA H . 52345 1 210 . 1 . 1 48 48 ALA C C 13 176.77 0.20 . 1 . . . . . 48 ALA C . 52345 1 211 . 1 . 1 48 48 ALA CA C 13 51.42 0.20 . 1 . . . . . 48 ALA CA . 52345 1 212 . 1 . 1 48 48 ALA CB C 13 18.42 0.20 . 1 . . . . . 48 ALA CB . 52345 1 213 . 1 . 1 48 48 ALA N N 15 128.42 0.20 . 1 . . . . . 48 ALA N . 52345 1 214 . 1 . 1 49 49 VAL H H 1 9.14 0.03 . 1 . . . . . 49 VAL H . 52345 1 215 . 1 . 1 49 49 VAL C C 13 174.38 0.20 . 1 . . . . . 49 VAL C . 52345 1 216 . 1 . 1 49 49 VAL CA C 13 60.52 0.20 . 1 . . . . . 49 VAL CA . 52345 1 217 . 1 . 1 49 49 VAL CB C 13 34.19 0.20 . 1 . . . . . 49 VAL CB . 52345 1 218 . 1 . 1 49 49 VAL N N 15 123.81 0.20 . 1 . . . . . 49 VAL N . 52345 1 219 . 1 . 1 50 50 SER H H 1 8.56 0.03 . 1 . . . . . 50 SER H . 52345 1 220 . 1 . 1 50 50 SER C C 13 174.03 0.20 . 1 . . . . . 50 SER C . 52345 1 221 . 1 . 1 50 50 SER CA C 13 56.47 0.20 . 1 . . . . . 50 SER CA . 52345 1 222 . 1 . 1 50 50 SER CB C 13 63.65 0.20 . 1 . . . . . 50 SER CB . 52345 1 223 . 1 . 1 50 50 SER N N 15 119.97 0.20 . 1 . . . . . 50 SER N . 52345 1 224 . 1 . 1 51 51 GLU H H 1 9.28 0.03 . 1 . . . . . 51 GLU H . 52345 1 225 . 1 . 1 51 51 GLU C C 13 171.94 0.20 . 1 . . . . . 51 GLU C . 52345 1 226 . 1 . 1 51 51 GLU CA C 13 52.80 0.20 . 1 . . . . . 51 GLU CA . 52345 1 227 . 1 . 1 51 51 GLU CB C 13 30.64 0.20 . 1 . . . . . 51 GLU CB . 52345 1 228 . 1 . 1 51 51 GLU N N 15 124.30 0.20 . 1 . . . . . 51 GLU N . 52345 1 229 . 1 . 1 52 52 PRO C C 13 177.58 0.20 . 1 . . . . . 52 PRO C . 52345 1 230 . 1 . 1 52 52 PRO CA C 13 63.14 0.20 . 1 . . . . . 52 PRO CA . 52345 1 231 . 1 . 1 52 52 PRO CB C 13 31.14 0.20 . 1 . . . . . 52 PRO CB . 52345 1 232 . 1 . 1 53 53 LEU H H 1 8.72 0.03 . 1 . . . . . 53 LEU H . 52345 1 233 . 1 . 1 53 53 LEU C C 13 176.54 0.20 . 1 . . . . . 53 LEU C . 52345 1 234 . 1 . 1 53 53 LEU CA C 13 57.47 0.20 . 1 . . . . . 53 LEU CA . 52345 1 235 . 1 . 1 53 53 LEU CB C 13 41.30 0.20 . 1 . . . . . 53 LEU CB . 52345 1 236 . 1 . 1 53 53 LEU N N 15 127.14 0.20 . 1 . . . . . 53 LEU N . 52345 1 237 . 1 . 1 54 54 PHE H H 1 8.95 0.03 . 1 . . . . . 54 PHE H . 52345 1 238 . 1 . 1 54 54 PHE C C 13 173.37 0.20 . 1 . . . . . 54 PHE C . 52345 1 239 . 1 . 1 54 54 PHE CA C 13 51.59 0.20 . 1 . . . . . 54 PHE CA . 52345 1 240 . 1 . 1 54 54 PHE CB C 13 38.25 0.20 . 1 . . . . . 54 PHE CB . 52345 1 241 . 1 . 1 54 54 PHE N N 15 115.34 0.20 . 1 . . . . . 54 PHE N . 52345 1 242 . 1 . 1 55 55 PRO C C 13 177.02 0.20 . 1 . . . . . 55 PRO C . 52345 1 243 . 1 . 1 55 55 PRO CA C 13 64.20 0.20 . 1 . . . . . 55 PRO CA . 52345 1 244 . 1 . 1 55 55 PRO CB C 13 30.84 0.20 . 1 . . . . . 55 PRO CB . 52345 1 245 . 1 . 1 56 56 ASN H H 1 9.13 0.03 . 1 . . . . . 56 ASN H . 52345 1 246 . 1 . 1 56 56 ASN C C 13 172.15 0.20 . 1 . . . . . 56 ASN C . 52345 1 247 . 1 . 1 56 56 ASN CA C 13 55.83 0.20 . 1 . . . . . 56 ASN CA . 52345 1 248 . 1 . 1 56 56 ASN CB C 13 37.20 0.20 . 1 . . . . . 56 ASN CB . 52345 1 249 . 1 . 1 56 56 ASN N N 15 113.44 0.20 . 1 . . . . . 56 ASN N . 52345 1 250 . 1 . 1 57 57 TYR H H 1 7.84 0.03 . 1 . . . . . 57 TYR H . 52345 1 251 . 1 . 1 57 57 TYR C C 13 174.79 0.20 . 1 . . . . . 57 TYR C . 52345 1 252 . 1 . 1 57 57 TYR CA C 13 58.07 0.20 . 1 . . . . . 57 TYR CA . 52345 1 253 . 1 . 1 57 57 TYR CB C 13 39.27 0.20 . 1 . . . . . 57 TYR CB . 52345 1 254 . 1 . 1 57 57 TYR N N 15 118.03 0.20 . 1 . . . . . 57 TYR N . 52345 1 255 . 1 . 1 58 58 LEU H H 1 9.13 0.03 . 1 . . . . . 58 LEU H . 52345 1 256 . 1 . 1 58 58 LEU C C 13 175.43 0.20 . 1 . . . . . 58 LEU C . 52345 1 257 . 1 . 1 58 58 LEU CA C 13 53.04 0.20 . 1 . . . . . 58 LEU CA . 52345 1 258 . 1 . 1 58 58 LEU CB C 13 46.89 0.20 . 1 . . . . . 58 LEU CB . 52345 1 259 . 1 . 1 58 58 LEU N N 15 122.82 0.20 . 1 . . . . . 58 LEU N . 52345 1 260 . 1 . 1 59 59 PHE H H 1 8.80 0.03 . 1 . . . . . 59 PHE H . 52345 1 261 . 1 . 1 59 59 PHE C C 13 176.75 0.20 . 1 . . . . . 59 PHE C . 52345 1 262 . 1 . 1 59 59 PHE CA C 13 57.54 0.20 . 1 . . . . . 59 PHE CA . 52345 1 263 . 1 . 1 59 59 PHE CB C 13 39.27 0.20 . 1 . . . . . 59 PHE CB . 52345 1 264 . 1 . 1 59 59 PHE N N 15 125.63 0.20 . 1 . . . . . 59 PHE N . 52345 1 265 . 1 . 1 60 60 VAL H H 1 9.25 0.03 . 1 . . . . . 60 VAL H . 52345 1 266 . 1 . 1 60 60 VAL C C 13 172.91 0.20 . 1 . . . . . 60 VAL C . 52345 1 267 . 1 . 1 60 60 VAL CA C 13 58.58 0.20 . 1 . . . . . 60 VAL CA . 52345 1 268 . 1 . 1 60 60 VAL CB C 13 35.21 0.20 . 1 . . . . . 60 VAL CB . 52345 1 269 . 1 . 1 60 60 VAL N N 15 115.64 0.20 . 1 . . . . . 60 VAL N . 52345 1 270 . 1 . 1 61 61 GLU H H 1 8.72 0.03 . 1 . . . . . 61 GLU H . 52345 1 271 . 1 . 1 61 61 GLU C C 13 175.92 0.20 . 1 . . . . . 61 GLU C . 52345 1 272 . 1 . 1 61 61 GLU CA C 13 53.00 0.20 . 1 . . . . . 61 GLU CA . 52345 1 273 . 1 . 1 61 61 GLU CB C 13 30.13 0.20 . 1 . . . . . 61 GLU CB . 52345 1 274 . 1 . 1 61 61 GLU N N 15 126.21 0.20 . 1 . . . . . 61 GLU N . 52345 1 275 . 1 . 1 62 62 PHE H H 1 8.50 0.03 . 1 . . . . . 62 PHE H . 52345 1 276 . 1 . 1 62 62 PHE C C 13 171.81 0.20 . 1 . . . . . 62 PHE C . 52345 1 277 . 1 . 1 62 62 PHE CA C 13 56.05 0.20 . 1 . . . . . 62 PHE CA . 52345 1 278 . 1 . 1 62 62 PHE CB C 13 39.78 0.20 . 1 . . . . . 62 PHE CB . 52345 1 279 . 1 . 1 62 62 PHE N N 15 120.50 0.20 . 1 . . . . . 62 PHE N . 52345 1 280 . 1 . 1 63 63 ASP H H 1 8.81 0.03 . 1 . . . . . 63 ASP H . 52345 1 281 . 1 . 1 63 63 ASP C C 13 176.04 0.20 . 1 . . . . . 63 ASP C . 52345 1 282 . 1 . 1 63 63 ASP CA C 13 49.22 0.20 . 1 . . . . . 63 ASP CA . 52345 1 283 . 1 . 1 63 63 ASP CB C 13 41.81 0.20 . 1 . . . . . 63 ASP CB . 52345 1 284 . 1 . 1 63 63 ASP N N 15 120.41 0.20 . 1 . . . . . 63 ASP N . 52345 1 285 . 1 . 1 64 64 PRO C C 13 178.07 0.20 . 1 . . . . . 64 PRO C . 52345 1 286 . 1 . 1 64 64 PRO CA C 13 63.14 0.20 . 1 . . . . . 64 PRO CA . 52345 1 287 . 1 . 1 64 64 PRO CB C 13 31.65 0.20 . 1 . . . . . 64 PRO CB . 52345 1 288 . 1 . 1 65 65 GLU H H 1 8.76 0.03 . 1 . . . . . 65 GLU H . 52345 1 289 . 1 . 1 65 65 GLU C C 13 177.10 0.20 . 1 . . . . . 65 GLU C . 52345 1 290 . 1 . 1 65 65 GLU CA C 13 56.71 0.20 . 1 . . . . . 65 GLU CA . 52345 1 291 . 1 . 1 65 65 GLU CB C 13 28.60 0.20 . 1 . . . . . 65 GLU CB . 52345 1 292 . 1 . 1 65 65 GLU N N 15 117.74 0.20 . 1 . . . . . 65 GLU N . 52345 1 293 . 1 . 1 66 66 VAL H H 1 8.12 0.03 . 1 . . . . . 66 VAL H . 52345 1 294 . 1 . 1 66 66 VAL CA C 13 63.63 0.20 . 1 . . . . . 66 VAL CA . 52345 1 295 . 1 . 1 66 66 VAL CB C 13 33.03 0.20 . 1 . . . . . 66 VAL CB . 52345 1 296 . 1 . 1 66 66 VAL N N 15 120.93 0.20 . 1 . . . . . 66 VAL N . 52345 1 297 . 1 . 1 70 70 THR C C 13 177.22 0.20 . 1 . . . . . 70 THR C . 52345 1 298 . 1 . 1 70 70 THR CA C 13 64.68 0.20 . 1 . . . . . 70 THR CA . 52345 1 299 . 1 . 1 71 71 THR H H 1 7.41 0.03 . 1 . . . . . 71 THR H . 52345 1 300 . 1 . 1 71 71 THR C C 13 177.02 0.20 . 1 . . . . . 71 THR C . 52345 1 301 . 1 . 1 71 71 THR CA C 13 65.09 0.20 . 1 . . . . . 71 THR CA . 52345 1 302 . 1 . 1 71 71 THR CB C 13 67.71 0.20 . 1 . . . . . 71 THR CB . 52345 1 303 . 1 . 1 71 71 THR N N 15 120.96 0.20 . 1 . . . . . 71 THR N . 52345 1 304 . 1 . 1 72 72 ILE H H 1 7.41 0.03 . 1 . . . . . 72 ILE H . 52345 1 305 . 1 . 1 72 72 ILE C C 13 178.92 0.20 . 1 . . . . . 72 ILE C . 52345 1 306 . 1 . 1 72 72 ILE CA C 13 62.56 0.20 . 1 . . . . . 72 ILE CA . 52345 1 307 . 1 . 1 72 72 ILE CB C 13 34.70 0.20 . 1 . . . . . 72 ILE CB . 52345 1 308 . 1 . 1 72 72 ILE N N 15 122.03 0.20 . 1 . . . . . 72 ILE N . 52345 1 309 . 1 . 1 73 73 ASN H H 1 8.44 0.03 . 1 . . . . . 73 ASN H . 52345 1 310 . 1 . 1 73 73 ASN C C 13 175.18 0.20 . 1 . . . . . 73 ASN C . 52345 1 311 . 1 . 1 73 73 ASN CA C 13 54.54 0.20 . 1 . . . . . 73 ASN CA . 52345 1 312 . 1 . 1 73 73 ASN CB C 13 39.27 0.20 . 1 . . . . . 73 ASN CB . 52345 1 313 . 1 . 1 73 73 ASN N N 15 116.76 0.20 . 1 . . . . . 73 ASN N . 52345 1 314 . 1 . 1 74 74 ALA H H 1 7.22 0.03 . 1 . . . . . 74 ALA H . 52345 1 315 . 1 . 1 74 74 ALA C C 13 177.30 0.20 . 1 . . . . . 74 ALA C . 52345 1 316 . 1 . 1 74 74 ALA CA C 13 51.54 0.20 . 1 . . . . . 74 ALA CA . 52345 1 317 . 1 . 1 74 74 ALA CB C 13 17.94 0.20 . 1 . . . . . 74 ALA CB . 52345 1 318 . 1 . 1 74 74 ALA N N 15 117.08 0.20 . 1 . . . . . 74 ALA N . 52345 1 319 . 1 . 1 75 75 THR H H 1 7.39 0.03 . 1 . . . . . 75 THR H . 52345 1 320 . 1 . 1 75 75 THR C C 13 174.00 0.20 . 1 . . . . . 75 THR C . 52345 1 321 . 1 . 1 75 75 THR CA C 13 64.10 0.20 . 1 . . . . . 75 THR CA . 52345 1 322 . 1 . 1 75 75 THR CB C 13 68.72 0.20 . 1 . . . . . 75 THR CB . 52345 1 323 . 1 . 1 75 75 THR N N 15 118.69 0.20 . 1 . . . . . 75 THR N . 52345 1 324 . 1 . 1 76 76 ARG C C 13 175.22 0.20 . 1 . . . . . 76 ARG C . 52345 1 325 . 1 . 1 76 76 ARG CA C 13 57.75 0.20 . 1 . . . . . 76 ARG CA . 52345 1 326 . 1 . 1 76 76 ARG CB C 13 28.71 0.20 . 1 . . . . . 76 ARG CB . 52345 1 327 . 1 . 1 77 77 GLY H H 1 8.38 0.03 . 1 . . . . . 77 GLY H . 52345 1 328 . 1 . 1 77 77 GLY C C 13 173.87 0.20 . 1 . . . . . 77 GLY C . 52345 1 329 . 1 . 1 77 77 GLY CA C 13 44.85 0.20 . 1 . . . . . 77 GLY CA . 52345 1 330 . 1 . 1 77 77 GLY N N 15 109.04 0.20 . 1 . . . . . 77 GLY N . 52345 1 331 . 1 . 1 78 78 VAL H H 1 7.75 0.03 . 1 . . . . . 78 VAL H . 52345 1 332 . 1 . 1 78 78 VAL C C 13 175.84 0.20 . 1 . . . . . 78 VAL C . 52345 1 333 . 1 . 1 78 78 VAL CA C 13 63.61 0.20 . 1 . . . . . 78 VAL CA . 52345 1 334 . 1 . 1 78 78 VAL CB C 13 31.65 0.20 . 1 . . . . . 78 VAL CB . 52345 1 335 . 1 . 1 78 78 VAL N N 15 121.18 0.20 . 1 . . . . . 78 VAL N . 52345 1 336 . 1 . 1 79 79 SER H H 1 9.00 0.03 . 1 . . . . . 79 SER H . 52345 1 337 . 1 . 1 79 79 SER C C 13 174.93 0.20 . 1 . . . . . 79 SER C . 52345 1 338 . 1 . 1 79 79 SER CA C 13 58.97 0.20 . 1 . . . . . 79 SER CA . 52345 1 339 . 1 . 1 79 79 SER CB C 13 62.12 0.20 . 1 . . . . . 79 SER CB . 52345 1 340 . 1 . 1 79 79 SER N N 15 119.91 0.20 . 1 . . . . . 79 SER N . 52345 1 341 . 1 . 1 80 80 HIS H H 1 7.76 0.03 . 1 . . . . . 80 HIS H . 52345 1 342 . 1 . 1 80 80 HIS C C 13 173.81 0.20 . 1 . . . . . 80 HIS C . 52345 1 343 . 1 . 1 80 80 HIS CA C 13 55.60 0.20 . 1 . . . . . 80 HIS CA . 52345 1 344 . 1 . 1 80 80 HIS CB C 13 31.14 0.20 . 1 . . . . . 80 HIS CB . 52345 1 345 . 1 . 1 80 80 HIS N N 15 111.17 0.20 . 1 . . . . . 80 HIS N . 52345 1 346 . 1 . 1 81 81 PHE H H 1 8.89 0.03 . 1 . . . . . 81 PHE H . 52345 1 347 . 1 . 1 81 81 PHE C C 13 177.61 0.20 . 1 . . . . . 81 PHE C . 52345 1 348 . 1 . 1 81 81 PHE CA C 13 57.96 0.20 . 1 . . . . . 81 PHE CA . 52345 1 349 . 1 . 1 81 81 PHE CB C 13 39.78 0.20 . 1 . . . . . 81 PHE CB . 52345 1 350 . 1 . 1 81 81 PHE N N 15 116.58 0.20 . 1 . . . . . 81 PHE N . 52345 1 351 . 1 . 1 82 82 VAL H H 1 9.24 0.03 . 1 . . . . . 82 VAL H . 52345 1 352 . 1 . 1 82 82 VAL C C 13 176.23 0.20 . 1 . . . . . 82 VAL C . 52345 1 353 . 1 . 1 82 82 VAL CA C 13 64.07 0.20 . 1 . . . . . 82 VAL CA . 52345 1 354 . 1 . 1 82 82 VAL CB C 13 31.14 0.20 . 1 . . . . . 82 VAL CB . 52345 1 355 . 1 . 1 82 82 VAL N N 15 122.83 0.20 . 1 . . . . . 82 VAL N . 52345 1 356 . 1 . 1 83 83 ARG H H 1 8.70 0.03 . 1 . . . . . 83 ARG H . 52345 1 357 . 1 . 1 83 83 ARG C C 13 174.81 0.20 . 1 . . . . . 83 ARG C . 52345 1 358 . 1 . 1 83 83 ARG CA C 13 55.49 0.20 . 1 . . . . . 83 ARG CA . 52345 1 359 . 1 . 1 83 83 ARG CB C 13 33.17 0.20 . 1 . . . . . 83 ARG CB . 52345 1 360 . 1 . 1 83 83 ARG N N 15 128.10 0.20 . 1 . . . . . 83 ARG N . 52345 1 361 . 1 . 1 84 84 PHE H H 1 8.76 0.03 . 1 . . . . . 84 PHE H . 52345 1 362 . 1 . 1 84 84 PHE C C 13 175.93 0.20 . 1 . . . . . 84 PHE C . 52345 1 363 . 1 . 1 84 84 PHE CA C 13 57.08 0.20 . 1 . . . . . 84 PHE CA . 52345 1 364 . 1 . 1 84 84 PHE CB C 13 39.27 0.20 . 1 . . . . . 84 PHE CB . 52345 1 365 . 1 . 1 84 84 PHE N N 15 121.64 0.20 . 1 . . . . . 84 PHE N . 52345 1 366 . 1 . 1 86 86 ALA C C 13 178.28 0.20 . 1 . . . . . 86 ALA C . 52345 1 367 . 1 . 1 86 86 ALA CA C 13 53.03 0.20 . 1 . . . . . 86 ALA CA . 52345 1 368 . 1 . 1 86 86 ALA CB C 13 18.67 0.20 . 1 . . . . . 86 ALA CB . 52345 1 369 . 1 . 1 87 87 SER H H 1 7.84 0.03 . 1 . . . . . 87 SER H . 52345 1 370 . 1 . 1 87 87 SER C C 13 170.95 0.20 . 1 . . . . . 87 SER C . 52345 1 371 . 1 . 1 87 87 SER CA C 13 56.43 0.20 . 1 . . . . . 87 SER CA . 52345 1 372 . 1 . 1 87 87 SER CB C 13 63.10 0.20 . 1 . . . . . 87 SER CB . 52345 1 373 . 1 . 1 87 87 SER N N 15 113.54 0.20 . 1 . . . . . 87 SER N . 52345 1 374 . 1 . 1 93 93 SER C C 13 176.32 0.20 . 1 . . . . . 93 SER C . 52345 1 375 . 1 . 1 93 93 SER CA C 13 61.64 0.20 . 1 . . . . . 93 SER CA . 52345 1 376 . 1 . 1 94 94 ALA H H 1 8.95 0.03 . 1 . . . . . 94 ALA H . 52345 1 377 . 1 . 1 94 94 ALA C C 13 180.54 0.20 . 1 . . . . . 94 ALA C . 52345 1 378 . 1 . 1 94 94 ALA CA C 13 54.66 0.20 . 1 . . . . . 94 ALA CA . 52345 1 379 . 1 . 1 94 94 ALA CB C 13 18.45 0.20 . 1 . . . . . 94 ALA CB . 52345 1 380 . 1 . 1 94 94 ALA N N 15 121.63 0.20 . 1 . . . . . 94 ALA N . 52345 1 381 . 1 . 1 95 95 VAL H H 1 7.29 0.03 . 1 . . . . . 95 VAL H . 52345 1 382 . 1 . 1 95 95 VAL C C 13 176.37 0.20 . 1 . . . . . 95 VAL C . 52345 1 383 . 1 . 1 95 95 VAL CA C 13 65.22 0.20 . 1 . . . . . 95 VAL CA . 52345 1 384 . 1 . 1 95 95 VAL CB C 13 30.53 0.20 . 1 . . . . . 95 VAL CB . 52345 1 385 . 1 . 1 95 95 VAL N N 15 115.96 0.20 . 1 . . . . . 95 VAL N . 52345 1 386 . 1 . 1 96 96 ILE H H 1 6.66 0.03 . 1 . . . . . 96 ILE H . 52345 1 387 . 1 . 1 96 96 ILE C C 13 179.00 0.20 . 1 . . . . . 96 ILE C . 52345 1 388 . 1 . 1 96 96 ILE CA C 13 60.86 0.20 . 1 . . . . . 96 ILE CA . 52345 1 389 . 1 . 1 96 96 ILE CB C 13 34.19 0.20 . 1 . . . . . 96 ILE CB . 52345 1 390 . 1 . 1 96 96 ILE N N 15 118.04 0.20 . 1 . . . . . 96 ILE N . 52345 1 391 . 1 . 1 97 97 HIS H H 1 8.32 0.03 . 1 . . . . . 97 HIS H . 52345 1 392 . 1 . 1 97 97 HIS C C 13 178.04 0.20 . 1 . . . . . 97 HIS C . 52345 1 393 . 1 . 1 97 97 HIS CA C 13 59.08 0.20 . 1 . . . . . 97 HIS CA . 52345 1 394 . 1 . 1 97 97 HIS CB C 13 29.62 0.20 . 1 . . . . . 97 HIS CB . 52345 1 395 . 1 . 1 97 97 HIS N N 15 118.64 0.20 . 1 . . . . . 97 HIS N . 52345 1 396 . 1 . 1 98 98 GLN H H 1 7.42 0.03 . 1 . . . . . 98 GLN H . 52345 1 397 . 1 . 1 98 98 GLN C C 13 178.02 0.20 . 1 . . . . . 98 GLN C . 52345 1 398 . 1 . 1 98 98 GLN CA C 13 57.54 0.20 . 1 . . . . . 98 GLN CA . 52345 1 399 . 1 . 1 98 98 GLN CB C 13 27.59 0.20 . 1 . . . . . 98 GLN CB . 52345 1 400 . 1 . 1 98 98 GLN N N 15 116.19 0.20 . 1 . . . . . 98 GLN N . 52345 1 401 . 1 . 1 99 99 LEU H H 1 7.66 0.03 . 1 . . . . . 99 LEU H . 52345 1 402 . 1 . 1 99 99 LEU C C 13 177.91 0.20 . 1 . . . . . 99 LEU C . 52345 1 403 . 1 . 1 99 99 LEU CA C 13 56.42 0.20 . 1 . . . . . 99 LEU CA . 52345 1 404 . 1 . 1 99 99 LEU CB C 13 40.79 0.20 . 1 . . . . . 99 LEU CB . 52345 1 405 . 1 . 1 99 99 LEU N N 15 116.26 0.20 . 1 . . . . . 99 LEU N . 52345 1 406 . 1 . 1 100 100 SER H H 1 7.72 0.03 . 1 . . . . . 100 SER H . 52345 1 407 . 1 . 1 100 100 SER C C 13 175.20 0.20 . 1 . . . . . 100 SER C . 52345 1 408 . 1 . 1 100 100 SER CA C 13 60.14 0.20 . 1 . . . . . 100 SER CA . 52345 1 409 . 1 . 1 100 100 SER CB C 13 63.14 0.20 . 1 . . . . . 100 SER CB . 52345 1 410 . 1 . 1 100 100 SER N N 15 112.93 0.20 . 1 . . . . . 100 SER N . 52345 1 411 . 1 . 1 101 101 VAL H H 1 7.24 0.03 . 1 . . . . . 101 VAL H . 52345 1 412 . 1 . 1 101 101 VAL C C 13 176.11 0.20 . 1 . . . . . 101 VAL C . 52345 1 413 . 1 . 1 101 101 VAL CA C 13 61.72 0.20 . 1 . . . . . 101 VAL CA . 52345 1 414 . 1 . 1 101 101 VAL CB C 13 31.51 0.20 . 1 . . . . . 101 VAL CB . 52345 1 415 . 1 . 1 101 101 VAL N N 15 115.36 0.20 . 1 . . . . . 101 VAL N . 52345 1 416 . 1 . 1 102 102 TYR H H 1 7.58 0.03 . 1 . . . . . 102 TYR H . 52345 1 417 . 1 . 1 102 102 TYR C C 13 174.72 0.20 . 1 . . . . . 102 TYR C . 52345 1 418 . 1 . 1 102 102 TYR CA C 13 58.57 0.20 . 1 . . . . . 102 TYR CA . 52345 1 419 . 1 . 1 102 102 TYR CB C 13 37.75 0.20 . 1 . . . . . 102 TYR CB . 52345 1 420 . 1 . 1 102 102 TYR N N 15 122.17 0.20 . 1 . . . . . 102 TYR N . 52345 1 421 . 1 . 1 103 103 LYS H H 1 7.50 0.03 . 1 . . . . . 103 LYS H . 52345 1 422 . 1 . 1 103 103 LYS C C 13 173.37 0.20 . 1 . . . . . 103 LYS C . 52345 1 423 . 1 . 1 103 103 LYS CA C 13 52.85 0.20 . 1 . . . . . 103 LYS CA . 52345 1 424 . 1 . 1 103 103 LYS CB C 13 32.16 0.20 . 1 . . . . . 103 LYS CB . 52345 1 425 . 1 . 1 103 103 LYS N N 15 125.45 0.20 . 1 . . . . . 103 LYS N . 52345 1 426 . 1 . 1 104 104 PRO C C 13 176.83 0.20 . 1 . . . . . 104 PRO C . 52345 1 427 . 1 . 1 104 104 PRO CA C 13 62.49 0.20 . 1 . . . . . 104 PRO CA . 52345 1 428 . 1 . 1 104 104 PRO CB C 13 31.45 0.20 . 1 . . . . . 104 PRO CB . 52345 1 429 . 1 . 1 105 105 LYS H H 1 8.38 0.03 . 1 . . . . . 105 LYS H . 52345 1 430 . 1 . 1 105 105 LYS C C 13 176.34 0.20 . 1 . . . . . 105 LYS C . 52345 1 431 . 1 . 1 105 105 LYS CA C 13 55.97 0.20 . 1 . . . . . 105 LYS CA . 52345 1 432 . 1 . 1 105 105 LYS CB C 13 32.16 0.20 . 1 . . . . . 105 LYS CB . 52345 1 433 . 1 . 1 105 105 LYS N N 15 120.91 0.20 . 1 . . . . . 105 LYS N . 52345 1 434 . 1 . 1 106 106 ASP H H 1 8.31 0.03 . 1 . . . . . 106 ASP H . 52345 1 435 . 1 . 1 106 106 ASP C C 13 175.97 0.20 . 1 . . . . . 106 ASP C . 52345 1 436 . 1 . 1 106 106 ASP CA C 13 54.06 0.20 . 1 . . . . . 106 ASP CA . 52345 1 437 . 1 . 1 106 106 ASP CB C 13 40.79 0.20 . 1 . . . . . 106 ASP CB . 52345 1 438 . 1 . 1 106 106 ASP N N 15 120.90 0.20 . 1 . . . . . 106 ASP N . 52345 1 439 . 1 . 1 107 107 ILE H H 1 8.04 0.03 . 1 . . . . . 107 ILE H . 52345 1 440 . 1 . 1 107 107 ILE C C 13 176.04 0.20 . 1 . . . . . 107 ILE C . 52345 1 441 . 1 . 1 107 107 ILE CA C 13 60.63 0.20 . 1 . . . . . 107 ILE CA . 52345 1 442 . 1 . 1 107 107 ILE CB C 13 37.75 0.20 . 1 . . . . . 107 ILE CB . 52345 1 443 . 1 . 1 107 107 ILE N N 15 120.40 0.20 . 1 . . . . . 107 ILE N . 52345 1 444 . 1 . 1 108 108 VAL H H 1 8.19 0.03 . 1 . . . . . 108 VAL H . 52345 1 445 . 1 . 1 108 108 VAL C C 13 175.49 0.20 . 1 . . . . . 108 VAL C . 52345 1 446 . 1 . 1 108 108 VAL CA C 13 61.68 0.20 . 1 . . . . . 108 VAL CA . 52345 1 447 . 1 . 1 108 108 VAL CB C 13 32.16 0.20 . 1 . . . . . 108 VAL CB . 52345 1 448 . 1 . 1 108 108 VAL N N 15 124.06 0.20 . 1 . . . . . 108 VAL N . 52345 1 449 . 1 . 1 109 109 ASP H H 1 8.41 0.03 . 1 . . . . . 109 ASP H . 52345 1 450 . 1 . 1 109 109 ASP C C 13 174.94 0.20 . 1 . . . . . 109 ASP C . 52345 1 451 . 1 . 1 109 109 ASP CA C 13 51.54 0.20 . 1 . . . . . 109 ASP CA . 52345 1 452 . 1 . 1 109 109 ASP CB C 13 40.79 0.20 . 1 . . . . . 109 ASP CB . 52345 1 453 . 1 . 1 109 109 ASP N N 15 125.28 0.20 . 1 . . . . . 109 ASP N . 52345 1 454 . 1 . 1 110 110 PRO C C 13 176.82 0.20 . 1 . . . . . 110 PRO C . 52345 1 455 . 1 . 1 110 110 PRO CA C 13 63.13 0.20 . 1 . . . . . 110 PRO CA . 52345 1 456 . 1 . 1 110 110 PRO CB C 13 31.14 0.20 . 1 . . . . . 110 PRO CB . 52345 1 457 . 1 . 1 111 111 ALA H H 1 8.41 0.03 . 1 . . . . . 111 ALA H . 52345 1 458 . 1 . 1 111 111 ALA C C 13 177.85 0.20 . 1 . . . . . 111 ALA C . 52345 1 459 . 1 . 1 111 111 ALA CA C 13 52.15 0.20 . 1 . . . . . 111 ALA CA . 52345 1 460 . 1 . 1 111 111 ALA CB C 13 18.45 0.20 . 1 . . . . . 111 ALA CB . 52345 1 461 . 1 . 1 111 111 ALA N N 15 121.97 0.20 . 1 . . . . . 111 ALA N . 52345 1 462 . 1 . 1 112 112 THR H H 1 7.87 0.03 . 1 . . . . . 112 THR H . 52345 1 463 . 1 . 1 112 112 THR C C 13 172.59 0.20 . 1 . . . . . 112 THR C . 52345 1 464 . 1 . 1 112 112 THR CA C 13 59.27 0.20 . 1 . . . . . 112 THR CA . 52345 1 465 . 1 . 1 112 112 THR CB C 13 69.23 0.20 . 1 . . . . . 112 THR CB . 52345 1 466 . 1 . 1 112 112 THR N N 15 115.42 0.20 . 1 . . . . . 112 THR N . 52345 1 467 . 1 . 1 113 113 PRO C C 13 176.35 0.20 . 1 . . . . . 113 PRO C . 52345 1 468 . 1 . 1 113 113 PRO CA C 13 62.66 0.20 . 1 . . . . . 113 PRO CA . 52345 1 469 . 1 . 1 113 113 PRO CB C 13 31.14 0.20 . 1 . . . . . 113 PRO CB . 52345 1 470 . 1 . 1 114 114 TYR H H 1 8.36 0.03 . 1 . . . . . 114 TYR H . 52345 1 471 . 1 . 1 114 114 TYR C C 13 174.62 0.20 . 1 . . . . . 114 TYR C . 52345 1 472 . 1 . 1 114 114 TYR CA C 13 55.19 0.20 . 1 . . . . . 114 TYR CA . 52345 1 473 . 1 . 1 114 114 TYR CB C 13 37.75 0.20 . 1 . . . . . 114 TYR CB . 52345 1 474 . 1 . 1 114 114 TYR N N 15 122.05 0.20 . 1 . . . . . 114 TYR N . 52345 1 475 . 1 . 1 115 115 PRO C C 13 177.34 0.20 . 1 . . . . . 115 PRO C . 52345 1 476 . 1 . 1 115 115 PRO CA C 13 63.14 0.20 . 1 . . . . . 115 PRO CA . 52345 1 477 . 1 . 1 115 115 PRO CB C 13 31.14 0.20 . 1 . . . . . 115 PRO CB . 52345 1 478 . 1 . 1 116 116 GLY H H 1 7.77 0.03 . 1 . . . . . 116 GLY H . 52345 1 479 . 1 . 1 116 116 GLY C C 13 173.81 0.20 . 1 . . . . . 116 GLY C . 52345 1 480 . 1 . 1 116 116 GLY CA C 13 44.84 0.20 . 1 . . . . . 116 GLY CA . 52345 1 481 . 1 . 1 116 116 GLY N N 15 108.23 0.20 . 1 . . . . . 116 GLY N . 52345 1 482 . 1 . 1 117 117 ASP H H 1 8.21 0.03 . 1 . . . . . 117 ASP H . 52345 1 483 . 1 . 1 117 117 ASP C C 13 176.25 0.20 . 1 . . . . . 117 ASP C . 52345 1 484 . 1 . 1 117 117 ASP CA C 13 54.10 0.20 . 1 . . . . . 117 ASP CA . 52345 1 485 . 1 . 1 117 117 ASP CB C 13 40.79 0.20 . 1 . . . . . 117 ASP CB . 52345 1 486 . 1 . 1 117 117 ASP N N 15 119.85 0.20 . 1 . . . . . 117 ASP N . 52345 1 487 . 1 . 1 118 118 LYS H H 1 8.18 0.03 . 1 . . . . . 118 LYS H . 52345 1 488 . 1 . 1 118 118 LYS C C 13 176.25 0.20 . 1 . . . . . 118 LYS C . 52345 1 489 . 1 . 1 118 118 LYS CA C 13 55.62 0.20 . 1 . . . . . 118 LYS CA . 52345 1 490 . 1 . 1 118 118 LYS CB C 13 32.16 0.20 . 1 . . . . . 118 LYS CB . 52345 1 491 . 1 . 1 118 118 LYS N N 15 120.74 0.20 . 1 . . . . . 118 LYS N . 52345 1 492 . 1 . 1 119 119 VAL H H 1 8.12 0.03 . 1 . . . . . 119 VAL H . 52345 1 493 . 1 . 1 119 119 VAL C C 13 175.74 0.20 . 1 . . . . . 119 VAL C . 52345 1 494 . 1 . 1 119 119 VAL CA C 13 62.08 0.20 . 1 . . . . . 119 VAL CA . 52345 1 495 . 1 . 1 119 119 VAL CB C 13 32.04 0.20 . 1 . . . . . 119 VAL CB . 52345 1 496 . 1 . 1 119 119 VAL N N 15 122.17 0.20 . 1 . . . . . 119 VAL N . 52345 1 497 . 1 . 1 120 120 ILE H H 1 8.28 0.03 . 1 . . . . . 120 ILE H . 52345 1 498 . 1 . 1 120 120 ILE C C 13 175.90 0.20 . 1 . . . . . 120 ILE C . 52345 1 499 . 1 . 1 120 120 ILE CA C 13 60.28 0.20 . 1 . . . . . 120 ILE CA . 52345 1 500 . 1 . 1 120 120 ILE CB C 13 37.75 0.20 . 1 . . . . . 120 ILE CB . 52345 1 501 . 1 . 1 120 120 ILE N N 15 125.80 0.20 . 1 . . . . . 120 ILE N . 52345 1 502 . 1 . 1 121 121 ILE H H 1 8.36 0.03 . 1 . . . . . 121 ILE H . 52345 1 503 . 1 . 1 121 121 ILE C C 13 176.29 0.20 . 1 . . . . . 121 ILE C . 52345 1 504 . 1 . 1 121 121 ILE CA C 13 60.17 0.20 . 1 . . . . . 121 ILE CA . 52345 1 505 . 1 . 1 121 121 ILE CB C 13 37.75 0.20 . 1 . . . . . 121 ILE CB . 52345 1 506 . 1 . 1 121 121 ILE N N 15 126.08 0.20 . 1 . . . . . 121 ILE N . 52345 1 507 . 1 . 1 122 122 THR H H 1 8.24 0.03 . 1 . . . . . 122 THR H . 52345 1 508 . 1 . 1 122 122 THR C C 13 174.49 0.20 . 1 . . . . . 122 THR C . 52345 1 509 . 1 . 1 122 122 THR CA C 13 61.16 0.20 . 1 . . . . . 122 THR CA . 52345 1 510 . 1 . 1 122 122 THR CB C 13 69.23 0.20 . 1 . . . . . 122 THR CB . 52345 1 511 . 1 . 1 122 122 THR N N 15 118.19 0.20 . 1 . . . . . 122 THR N . 52345 1 512 . 1 . 1 123 123 GLU H H 1 8.47 0.03 . 1 . . . . . 123 GLU H . 52345 1 513 . 1 . 1 123 123 GLU C C 13 177.21 0.20 . 1 . . . . . 123 GLU C . 52345 1 514 . 1 . 1 123 123 GLU CA C 13 56.64 0.20 . 1 . . . . . 123 GLU CA . 52345 1 515 . 1 . 1 123 123 GLU CB C 13 29.62 0.20 . 1 . . . . . 123 GLU CB . 52345 1 516 . 1 . 1 123 123 GLU N N 15 123.11 0.20 . 1 . . . . . 123 GLU N . 52345 1 517 . 1 . 1 124 124 GLY H H 1 8.64 0.03 . 1 . . . . . 124 GLY H . 52345 1 518 . 1 . 1 124 124 GLY C C 13 174.76 0.20 . 1 . . . . . 124 GLY C . 52345 1 519 . 1 . 1 124 124 GLY CA C 13 45.32 0.20 . 1 . . . . . 124 GLY CA . 52345 1 520 . 1 . 1 124 124 GLY N N 15 110.32 0.20 . 1 . . . . . 124 GLY N . 52345 1 521 . 1 . 1 125 125 ALA H H 1 8.24 0.03 . 1 . . . . . 125 ALA H . 52345 1 522 . 1 . 1 125 125 ALA C C 13 177.86 0.20 . 1 . . . . . 125 ALA C . 52345 1 523 . 1 . 1 125 125 ALA CA C 13 52.84 0.20 . 1 . . . . . 125 ALA CA . 52345 1 524 . 1 . 1 125 125 ALA CB C 13 18.45 0.20 . 1 . . . . . 125 ALA CB . 52345 1 525 . 1 . 1 125 125 ALA N N 15 123.81 0.20 . 1 . . . . . 125 ALA N . 52345 1 526 . 1 . 1 126 126 PHE H H 1 8.34 0.03 . 1 . . . . . 126 PHE H . 52345 1 527 . 1 . 1 126 126 PHE C C 13 176.52 0.20 . 1 . . . . . 126 PHE C . 52345 1 528 . 1 . 1 126 126 PHE CA C 13 58.14 0.20 . 1 . . . . . 126 PHE CA . 52345 1 529 . 1 . 1 126 126 PHE CB C 13 38.76 0.20 . 1 . . . . . 126 PHE CB . 52345 1 530 . 1 . 1 126 126 PHE N N 15 118.47 0.20 . 1 . . . . . 126 PHE N . 52345 1 531 . 1 . 1 127 127 GLU H H 1 8.54 0.03 . 1 . . . . . 127 GLU H . 52345 1 532 . 1 . 1 127 127 GLU C C 13 178.05 0.20 . 1 . . . . . 127 GLU C . 52345 1 533 . 1 . 1 127 127 GLU CA C 13 58.04 0.20 . 1 . . . . . 127 GLU CA . 52345 1 534 . 1 . 1 127 127 GLU CB C 13 28.89 0.20 . 1 . . . . . 127 GLU CB . 52345 1 535 . 1 . 1 127 127 GLU N N 15 122.55 0.20 . 1 . . . . . 127 GLU N . 52345 1 536 . 1 . 1 128 128 GLY H H 1 8.48 0.03 . 1 . . . . . 128 GLY H . 52345 1 537 . 1 . 1 128 128 GLY C C 13 175.51 0.20 . 1 . . . . . 128 GLY C . 52345 1 538 . 1 . 1 128 128 GLY CA C 13 45.59 0.20 . 1 . . . . . 128 GLY CA . 52345 1 539 . 1 . 1 128 128 GLY N N 15 109.31 0.20 . 1 . . . . . 128 GLY N . 52345 1 540 . 1 . 1 129 129 PHE H H 1 8.28 0.03 . 1 . . . . . 129 PHE H . 52345 1 541 . 1 . 1 129 129 PHE C C 13 176.96 0.20 . 1 . . . . . 129 PHE C . 52345 1 542 . 1 . 1 129 129 PHE CA C 13 60.85 0.20 . 1 . . . . . 129 PHE CA . 52345 1 543 . 1 . 1 129 129 PHE CB C 13 37.92 0.20 . 1 . . . . . 129 PHE CB . 52345 1 544 . 1 . 1 129 129 PHE N N 15 120.28 0.20 . 1 . . . . . 129 PHE N . 52345 1 545 . 1 . 1 130 130 GLN H H 1 8.43 0.03 . 1 . . . . . 130 GLN H . 52345 1 546 . 1 . 1 130 130 GLN C C 13 178.36 0.20 . 1 . . . . . 130 GLN C . 52345 1 547 . 1 . 1 130 130 GLN CA C 13 58.95 0.20 . 1 . . . . . 130 GLN CA . 52345 1 548 . 1 . 1 130 130 GLN CB C 13 27.08 0.20 . 1 . . . . . 130 GLN CB . 52345 1 549 . 1 . 1 130 130 GLN N N 15 118.33 0.20 . 1 . . . . . 130 GLN N . 52345 1 550 . 1 . 1 131 131 ALA H H 1 7.61 0.03 . 1 . . . . . 131 ALA H . 52345 1 551 . 1 . 1 131 131 ALA C C 13 179.49 0.20 . 1 . . . . . 131 ALA C . 52345 1 552 . 1 . 1 131 131 ALA CA C 13 53.76 0.20 . 1 . . . . . 131 ALA CA . 52345 1 553 . 1 . 1 131 131 ALA CB C 13 17.85 0.20 . 1 . . . . . 131 ALA CB . 52345 1 554 . 1 . 1 131 131 ALA N N 15 119.80 0.20 . 1 . . . . . 131 ALA N . 52345 1 555 . 1 . 1 132 132 ILE H H 1 7.43 0.03 . 1 . . . . . 132 ILE H . 52345 1 556 . 1 . 1 132 132 ILE C C 13 176.21 0.20 . 1 . . . . . 132 ILE C . 52345 1 557 . 1 . 1 132 132 ILE CA C 13 65.54 0.20 . 1 . . . . . 132 ILE CA . 52345 1 558 . 1 . 1 132 132 ILE CB C 13 37.24 0.20 . 1 . . . . . 132 ILE CB . 52345 1 559 . 1 . 1 132 132 ILE N N 15 117.46 0.20 . 1 . . . . . 132 ILE N . 52345 1 560 . 1 . 1 133 133 PHE H H 1 7.57 0.03 . 1 . . . . . 133 PHE H . 52345 1 561 . 1 . 1 133 133 PHE C C 13 176.20 0.20 . 1 . . . . . 133 PHE C . 52345 1 562 . 1 . 1 133 133 PHE CA C 13 59.08 0.20 . 1 . . . . . 133 PHE CA . 52345 1 563 . 1 . 1 133 133 PHE CB C 13 37.86 0.20 . 1 . . . . . 133 PHE CB . 52345 1 564 . 1 . 1 133 133 PHE N N 15 111.57 0.20 . 1 . . . . . 133 PHE N . 52345 1 565 . 1 . 1 134 134 THR H H 1 7.31 0.03 . 1 . . . . . 134 THR H . 52345 1 566 . 1 . 1 134 134 THR C C 13 173.58 0.20 . 1 . . . . . 134 THR C . 52345 1 567 . 1 . 1 134 134 THR CA C 13 60.82 0.20 . 1 . . . . . 134 THR CA . 52345 1 568 . 1 . 1 134 134 THR CB C 13 69.23 0.20 . 1 . . . . . 134 THR CB . 52345 1 569 . 1 . 1 134 134 THR N N 15 106.30 0.20 . 1 . . . . . 134 THR N . 52345 1 570 . 1 . 1 135 135 GLU H H 1 7.21 0.03 . 1 . . . . . 135 GLU H . 52345 1 571 . 1 . 1 135 135 GLU C C 13 174.34 0.20 . 1 . . . . . 135 GLU C . 52345 1 572 . 1 . 1 135 135 GLU CA C 13 51.87 0.20 . 1 . . . . . 135 GLU CA . 52345 1 573 . 1 . 1 135 135 GLU CB C 13 29.62 0.20 . 1 . . . . . 135 GLU CB . 52345 1 574 . 1 . 1 135 135 GLU N N 15 127.77 0.20 . 1 . . . . . 135 GLU N . 52345 1 575 . 1 . 1 136 136 PRO C C 13 176.69 0.20 . 1 . . . . . 136 PRO C . 52345 1 576 . 1 . 1 136 136 PRO CA C 13 64.15 0.20 . 1 . . . . . 136 PRO CA . 52345 1 577 . 1 . 1 136 136 PRO CB C 13 31.65 0.20 . 1 . . . . . 136 PRO CB . 52345 1 578 . 1 . 1 137 137 ASP H H 1 9.68 0.03 . 1 . . . . . 137 ASP H . 52345 1 579 . 1 . 1 137 137 ASP C C 13 177.18 0.20 . 1 . . . . . 137 ASP C . 52345 1 580 . 1 . 1 137 137 ASP CA C 13 53.49 0.20 . 1 . . . . . 137 ASP CA . 52345 1 581 . 1 . 1 137 137 ASP CB C 13 42.32 0.20 . 1 . . . . . 137 ASP CB . 52345 1 582 . 1 . 1 137 137 ASP N N 15 122.66 0.20 . 1 . . . . . 137 ASP N . 52345 1 583 . 1 . 1 138 138 GLY H H 1 9.50 0.03 . 1 . . . . . 138 GLY H . 52345 1 584 . 1 . 1 138 138 GLY C C 13 175.42 0.20 . 1 . . . . . 138 GLY C . 52345 1 585 . 1 . 1 138 138 GLY CA C 13 47.54 0.20 . 1 . . . . . 138 GLY CA . 52345 1 586 . 1 . 1 138 138 GLY N N 15 116.47 0.20 . 1 . . . . . 138 GLY N . 52345 1 587 . 1 . 1 139 139 GLU H H 1 8.27 0.03 . 1 . . . . . 139 GLU H . 52345 1 588 . 1 . 1 139 139 GLU C C 13 180.01 0.20 . 1 . . . . . 139 GLU C . 52345 1 589 . 1 . 1 139 139 GLU CA C 13 58.91 0.20 . 1 . . . . . 139 GLU CA . 52345 1 590 . 1 . 1 139 139 GLU CB C 13 27.62 0.20 . 1 . . . . . 139 GLU CB . 52345 1 591 . 1 . 1 139 139 GLU N N 15 121.16 0.20 . 1 . . . . . 139 GLU N . 52345 1 592 . 1 . 1 140 140 ALA H H 1 8.01 0.03 . 1 . . . . . 140 ALA H . 52345 1 593 . 1 . 1 140 140 ALA C C 13 181.36 0.20 . 1 . . . . . 140 ALA C . 52345 1 594 . 1 . 1 140 140 ALA CA C 13 54.55 0.20 . 1 . . . . . 140 ALA CA . 52345 1 595 . 1 . 1 140 140 ALA CB C 13 17.02 0.20 . 1 . . . . . 140 ALA CB . 52345 1 596 . 1 . 1 140 140 ALA N N 15 123.60 0.20 . 1 . . . . . 140 ALA N . 52345 1 597 . 1 . 1 141 141 ARG H H 1 8.61 0.03 . 1 . . . . . 141 ARG H . 52345 1 598 . 1 . 1 141 141 ARG C C 13 179.16 0.20 . 1 . . . . . 141 ARG C . 52345 1 599 . 1 . 1 141 141 ARG CA C 13 62.00 0.20 . 1 . . . . . 141 ARG CA . 52345 1 600 . 1 . 1 141 141 ARG CB C 13 30.13 0.20 . 1 . . . . . 141 ARG CB . 52345 1 601 . 1 . 1 141 141 ARG N N 15 119.62 0.20 . 1 . . . . . 141 ARG N . 52345 1 602 . 1 . 1 142 142 SER H H 1 8.54 0.03 . 1 . . . . . 142 SER H . 52345 1 603 . 1 . 1 142 142 SER C C 13 175.39 0.20 . 1 . . . . . 142 SER C . 52345 1 604 . 1 . 1 142 142 SER CA C 13 61.73 0.20 . 1 . . . . . 142 SER CA . 52345 1 605 . 1 . 1 142 142 SER CB C 13 62.20 0.20 . 1 . . . . . 142 SER CB . 52345 1 606 . 1 . 1 142 142 SER N N 15 115.74 0.20 . 1 . . . . . 142 SER N . 52345 1 607 . 1 . 1 143 143 MET H H 1 7.77 0.03 . 1 . . . . . 143 MET H . 52345 1 608 . 1 . 1 143 143 MET C C 13 179.33 0.20 . 1 . . . . . 143 MET C . 52345 1 609 . 1 . 1 143 143 MET CA C 13 58.07 0.20 . 1 . . . . . 143 MET CA . 52345 1 610 . 1 . 1 143 143 MET CB C 13 31.14 0.20 . 1 . . . . . 143 MET CB . 52345 1 611 . 1 . 1 143 143 MET N N 15 120.10 0.20 . 1 . . . . . 143 MET N . 52345 1 612 . 1 . 1 144 144 LEU H H 1 7.95 0.03 . 1 . . . . . 144 LEU H . 52345 1 613 . 1 . 1 144 144 LEU C C 13 180.54 0.20 . 1 . . . . . 144 LEU C . 52345 1 614 . 1 . 1 144 144 LEU CA C 13 57.58 0.20 . 1 . . . . . 144 LEU CA . 52345 1 615 . 1 . 1 144 144 LEU CB C 13 41.30 0.20 . 1 . . . . . 144 LEU CB . 52345 1 616 . 1 . 1 144 144 LEU N N 15 119.81 0.20 . 1 . . . . . 144 LEU N . 52345 1 617 . 1 . 1 145 145 LEU H H 1 8.10 0.03 . 1 . . . . . 145 LEU H . 52345 1 618 . 1 . 1 145 145 LEU C C 13 177.93 0.20 . 1 . . . . . 145 LEU C . 52345 1 619 . 1 . 1 145 145 LEU CA C 13 57.62 0.20 . 1 . . . . . 145 LEU CA . 52345 1 620 . 1 . 1 145 145 LEU CB C 13 39.21 0.20 . 1 . . . . . 145 LEU CB . 52345 1 621 . 1 . 1 145 145 LEU N N 15 121.50 0.20 . 1 . . . . . 145 LEU N . 52345 1 622 . 1 . 1 146 146 LEU H H 1 8.14 0.03 . 1 . . . . . 146 LEU H . 52345 1 623 . 1 . 1 146 146 LEU C C 13 179.68 0.20 . 1 . . . . . 146 LEU C . 52345 1 624 . 1 . 1 146 146 LEU CA C 13 58.00 0.20 . 1 . . . . . 146 LEU CA . 52345 1 625 . 1 . 1 146 146 LEU CB C 13 39.69 0.20 . 1 . . . . . 146 LEU CB . 52345 1 626 . 1 . 1 146 146 LEU N N 15 118.13 0.20 . 1 . . . . . 146 LEU N . 52345 1 627 . 1 . 1 147 147 ASN H H 1 7.74 0.03 . 1 . . . . . 147 ASN H . 52345 1 628 . 1 . 1 147 147 ASN C C 13 177.19 0.20 . 1 . . . . . 147 ASN C . 52345 1 629 . 1 . 1 147 147 ASN CA C 13 55.51 0.20 . 1 . . . . . 147 ASN CA . 52345 1 630 . 1 . 1 147 147 ASN CB C 13 37.75 0.20 . 1 . . . . . 147 ASN CB . 52345 1 631 . 1 . 1 147 147 ASN N N 15 116.36 0.20 . 1 . . . . . 147 ASN N . 52345 1 632 . 1 . 1 148 148 LEU H H 1 7.93 0.03 . 1 . . . . . 148 LEU H . 52345 1 633 . 1 . 1 148 148 LEU C C 13 179.12 0.20 . 1 . . . . . 148 LEU C . 52345 1 634 . 1 . 1 148 148 LEU CA C 13 57.98 0.20 . 1 . . . . . 148 LEU CA . 52345 1 635 . 1 . 1 148 148 LEU CB C 13 41.32 0.20 . 1 . . . . . 148 LEU CB . 52345 1 636 . 1 . 1 148 148 LEU N N 15 122.14 0.20 . 1 . . . . . 148 LEU N . 52345 1 637 . 1 . 1 149 149 ILE H H 1 8.44 0.03 . 1 . . . . . 149 ILE H . 52345 1 638 . 1 . 1 149 149 ILE C C 13 176.73 0.20 . 1 . . . . . 149 ILE C . 52345 1 639 . 1 . 1 149 149 ILE CA C 13 64.72 0.20 . 1 . . . . . 149 ILE CA . 52345 1 640 . 1 . 1 149 149 ILE CB C 13 37.24 0.20 . 1 . . . . . 149 ILE CB . 52345 1 641 . 1 . 1 149 149 ILE N N 15 116.42 0.20 . 1 . . . . . 149 ILE N . 52345 1 642 . 1 . 1 150 150 ASN H H 1 7.75 0.03 . 1 . . . . . 150 ASN H . 52345 1 643 . 1 . 1 150 150 ASN C C 13 176.33 0.20 . 1 . . . . . 150 ASN C . 52345 1 644 . 1 . 1 150 150 ASN CA C 13 55.27 0.20 . 1 . . . . . 150 ASN CA . 52345 1 645 . 1 . 1 150 150 ASN CB C 13 38.06 0.20 . 1 . . . . . 150 ASN CB . 52345 1 646 . 1 . 1 150 150 ASN N N 15 117.50 0.20 . 1 . . . . . 150 ASN N . 52345 1 647 . 1 . 1 151 151 LYS H H 1 7.86 0.03 . 1 . . . . . 151 LYS H . 52345 1 648 . 1 . 1 151 151 LYS C C 13 178.20 0.20 . 1 . . . . . 151 LYS C . 52345 1 649 . 1 . 1 151 151 LYS CA C 13 58.12 0.20 . 1 . . . . . 151 LYS CA . 52345 1 650 . 1 . 1 151 151 LYS CB C 13 31.65 0.20 . 1 . . . . . 151 LYS CB . 52345 1 651 . 1 . 1 151 151 LYS N N 15 119.07 0.20 . 1 . . . . . 151 LYS N . 52345 1 652 . 1 . 1 152 152 GLU H H 1 8.25 0.03 . 1 . . . . . 152 GLU H . 52345 1 653 . 1 . 1 152 152 GLU C C 13 178.67 0.20 . 1 . . . . . 152 GLU C . 52345 1 654 . 1 . 1 152 152 GLU CA C 13 57.32 0.20 . 1 . . . . . 152 GLU CA . 52345 1 655 . 1 . 1 152 152 GLU CB C 13 29.13 0.20 . 1 . . . . . 152 GLU CB . 52345 1 656 . 1 . 1 152 152 GLU N N 15 118.85 0.20 . 1 . . . . . 152 GLU N . 52345 1 657 . 1 . 1 153 153 ILE H H 1 8.26 0.03 . 1 . . . . . 153 ILE H . 52345 1 658 . 1 . 1 153 153 ILE C C 13 177.86 0.20 . 1 . . . . . 153 ILE C . 52345 1 659 . 1 . 1 153 153 ILE CA C 13 63.38 0.20 . 1 . . . . . 153 ILE CA . 52345 1 660 . 1 . 1 153 153 ILE CB C 13 37.34 0.20 . 1 . . . . . 153 ILE CB . 52345 1 661 . 1 . 1 153 153 ILE N N 15 121.28 0.20 . 1 . . . . . 153 ILE N . 52345 1 662 . 1 . 1 154 154 LYS H H 1 8.09 0.03 . 1 . . . . . 154 LYS H . 52345 1 663 . 1 . 1 154 154 LYS C C 13 177.62 0.20 . 1 . . . . . 154 LYS C . 52345 1 664 . 1 . 1 154 154 LYS CA C 13 58.08 0.20 . 1 . . . . . 154 LYS CA . 52345 1 665 . 1 . 1 154 154 LYS CB C 13 31.69 0.20 . 1 . . . . . 154 LYS CB . 52345 1 666 . 1 . 1 154 154 LYS N N 15 121.72 0.20 . 1 . . . . . 154 LYS N . 52345 1 667 . 1 . 1 155 155 HIS H H 1 8.07 0.03 . 1 . . . . . 155 HIS H . 52345 1 668 . 1 . 1 155 155 HIS C C 13 176.04 0.20 . 1 . . . . . 155 HIS C . 52345 1 669 . 1 . 1 155 155 HIS CA C 13 56.92 0.20 . 1 . . . . . 155 HIS CA . 52345 1 670 . 1 . 1 155 155 HIS CB C 13 30.25 0.20 . 1 . . . . . 155 HIS CB . 52345 1 671 . 1 . 1 155 155 HIS N N 15 118.55 0.20 . 1 . . . . . 155 HIS N . 52345 1 672 . 1 . 1 156 156 SER H H 1 8.06 0.03 . 1 . . . . . 156 SER H . 52345 1 673 . 1 . 1 156 156 SER C C 13 174.96 0.20 . 1 . . . . . 156 SER C . 52345 1 674 . 1 . 1 156 156 SER CA C 13 58.74 0.20 . 1 . . . . . 156 SER CA . 52345 1 675 . 1 . 1 156 156 SER CB C 13 63.66 0.20 . 1 . . . . . 156 SER CB . 52345 1 676 . 1 . 1 156 156 SER N N 15 115.81 0.20 . 1 . . . . . 156 SER N . 52345 1 677 . 1 . 1 157 157 VAL H H 1 8.07 0.03 . 1 . . . . . 157 VAL H . 52345 1 678 . 1 . 1 157 157 VAL C C 13 176.54 0.20 . 1 . . . . . 157 VAL C . 52345 1 679 . 1 . 1 157 157 VAL CA C 13 62.46 0.20 . 1 . . . . . 157 VAL CA . 52345 1 680 . 1 . 1 157 157 VAL CB C 13 31.66 0.20 . 1 . . . . . 157 VAL CB . 52345 1 681 . 1 . 1 157 157 VAL N N 15 121.60 0.20 . 1 . . . . . 157 VAL N . 52345 1 682 . 1 . 1 158 158 LYS H H 1 8.28 0.03 . 1 . . . . . 158 LYS H . 52345 1 683 . 1 . 1 158 158 LYS C C 13 176.58 0.20 . 1 . . . . . 158 LYS C . 52345 1 684 . 1 . 1 158 158 LYS CA C 13 56.13 0.20 . 1 . . . . . 158 LYS CA . 52345 1 685 . 1 . 1 158 158 LYS CB C 13 32.16 0.20 . 1 . . . . . 158 LYS CB . 52345 1 686 . 1 . 1 158 158 LYS N N 15 123.86 0.20 . 1 . . . . . 158 LYS N . 52345 1 687 . 1 . 1 159 159 ASN C C 13 175.65 0.20 . 1 . . . . . 159 ASN C . 52345 1 688 . 1 . 1 159 159 ASN CA C 13 53.23 0.20 . 1 . . . . . 159 ASN CA . 52345 1 689 . 1 . 1 159 159 ASN CB C 13 38.42 0.20 . 1 . . . . . 159 ASN CB . 52345 1 690 . 1 . 1 160 160 THR H H 1 8.16 0.03 . 1 . . . . . 160 THR H . 52345 1 691 . 1 . 1 160 160 THR C C 13 174.61 0.20 . 1 . . . . . 160 THR C . 52345 1 692 . 1 . 1 160 160 THR CA C 13 61.91 0.20 . 1 . . . . . 160 THR CA . 52345 1 693 . 1 . 1 160 160 THR CB C 13 69.10 0.20 . 1 . . . . . 160 THR CB . 52345 1 694 . 1 . 1 160 160 THR N N 15 114.29 0.20 . 1 . . . . . 160 THR N . 52345 1 695 . 1 . 1 161 161 GLU H H 1 8.34 0.03 . 1 . . . . . 161 GLU H . 52345 1 696 . 1 . 1 161 161 GLU C C 13 176.13 0.20 . 1 . . . . . 161 GLU C . 52345 1 697 . 1 . 1 161 161 GLU CA C 13 56.20 0.20 . 1 . . . . . 161 GLU CA . 52345 1 698 . 1 . 1 161 161 GLU CB C 13 29.42 0.20 . 1 . . . . . 161 GLU CB . 52345 1 699 . 1 . 1 161 161 GLU N N 15 122.83 0.20 . 1 . . . . . 161 GLU N . 52345 1 700 . 1 . 1 162 162 PHE H H 1 8.26 0.03 . 1 . . . . . 162 PHE H . 52345 1 701 . 1 . 1 162 162 PHE C C 13 175.46 0.20 . 1 . . . . . 162 PHE C . 52345 1 702 . 1 . 1 162 162 PHE CA C 13 57.49 0.20 . 1 . . . . . 162 PHE CA . 52345 1 703 . 1 . 1 162 162 PHE CB C 13 38.76 0.20 . 1 . . . . . 162 PHE CB . 52345 1 704 . 1 . 1 163 163 ARG H H 1 8.11 0.03 . 1 . . . . . 163 ARG H . 52345 1 705 . 1 . 1 163 163 ARG C C 13 175.25 0.20 . 1 . . . . . 163 ARG C . 52345 1 706 . 1 . 1 163 163 ARG CA C 13 55.43 0.20 . 1 . . . . . 163 ARG CA . 52345 1 707 . 1 . 1 163 163 ARG CB C 13 30.26 0.20 . 1 . . . . . 163 ARG CB . 52345 1 708 . 1 . 1 163 163 ARG N N 15 123.33 0.20 . 1 . . . . . 163 ARG N . 52345 1 709 . 1 . 1 164 164 LYS H H 1 8.33 0.03 . 1 . . . . . 164 LYS H . 52345 1 710 . 1 . 1 164 164 LYS C C 13 175.47 0.20 . 1 . . . . . 164 LYS C . 52345 1 711 . 1 . 1 164 164 LYS CA C 13 55.90 0.20 . 1 . . . . . 164 LYS CA . 52345 1 712 . 1 . 1 164 164 LYS CB C 13 32.16 0.20 . 1 . . . . . 164 LYS CB . 52345 1 713 . 1 . 1 164 164 LYS N N 15 123.88 0.20 . 1 . . . . . 164 LYS N . 52345 1 714 . 1 . 1 165 165 LEU H H 1 7.99 0.03 . 1 . . . . . 165 LEU H . 52345 1 715 . 1 . 1 165 165 LEU C C 13 182.43 0.20 . 1 . . . . . 165 LEU C . 52345 1 716 . 1 . 1 165 165 LEU CA C 13 56.34 0.20 . 1 . . . . . 165 LEU CA . 52345 1 717 . 1 . 1 165 165 LEU CB C 13 42.32 0.20 . 1 . . . . . 165 LEU CB . 52345 1 718 . 1 . 1 165 165 LEU N N 15 130.18 0.20 . 1 . . . . . 165 LEU N . 52345 1 stop_ save_