data_26658 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26658 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for SczA from Streptococcus agalactiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-15 _Entry.Accession_date 2015-09-15 _Entry.Last_release_date 2015-09-16 _Entry.Original_release_date 2015-09-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'apo state' _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 Katherine Edmonds . A. . . 26658 2 David Giedroc . P. . . 26658 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Giedroc group, Indiana University' . 26658 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26658 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 26658 '15N chemical shifts' 157 26658 '1H chemical shifts' 157 26658 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-07-26 2015-09-25 update BMRB 'update entry citation' 26658 1 . . 2017-03-03 2015-09-25 original author 'original release' 26658 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3KKC 'entry containing crystal structure of nickel-bound form of SczA, deposited by another group' 26658 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26658 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1111/mmi.13654 _Citation.PubMed_ID 28249108 _Citation.Full_citation . _Citation.Title ; The zinc efflux activator SczA protects Streptococcus pneumoniae serotype 2 D39 from intracellular zinc toxicity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full 'Molecular microbiology' _Citation.Journal_volume 104 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1365-2958 _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 636 _Citation.Page_last 651 _Citation.Year 2017 _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 Julia Martin J. E. . . 26658 1 2 Katherine Edmonds K. A. . . 26658 1 3 Kevin Bruce K. E. . . 26658 1 4 Gregory Campanello G. C. . . 26658 1 5 Bart Eijkelkamp B. A. . . 26658 1 6 Erin Brazel E. B. . . 26658 1 7 Christopher McDevitt C. A. . . 26658 1 8 Malcolm Winkler M. E. . . 26658 1 9 David Giedroc D. P. . . 26658 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SczA 26658 1 metalloregulator 26658 1 'transcriptional regulator' 26658 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26658 _Assembly.ID 1 _Assembly.Name 'SczA homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 42000 _Assembly.Enzyme_commission_number . _Assembly.Details 'SczA homodimer' _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 'SczA, chain 1' 1 $SczA_transcriptional_regulator A . yes native no no . . . 26658 1 2 'SczA, chain 2' 1 $SczA_transcriptional_regulator B . yes native no no . . . 26658 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 3KKC . . X-ray 2.5 'structure of the nickel-bound regulator that is in the apo state in this entry' . 26658 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'zinc-sensitive transcriptional regulation' 26658 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SczA_transcriptional_regulator _Entity.Sf_category entity _Entity.Sf_framecode SczA_transcriptional_regulator _Entity.Entry_ID 26658 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SczA_transcriptional_regulator _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 ; MVKDRQIQKTKVAIYNAFIS LLQENDYSKITVQDVIGLAN VGRSTFYSHYESKEVLLKEL CEDLFHHLFKQGRDVTFEEY LVHILKHFEQNQDSIATLLL SDDPYFLLRFRSELEHDVYP RLREEYITKVDIPEDFLKQF LLSSFIETLKWWLHQRQKMT VEDLLKYYLTMVER ; _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 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 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 3KKC . 'TetR family Transcriptional regulator' . . . . . . . . . . . . . . 26658 1 2 yes NCBI WP_000237802 . 'TetR family transcriptional regulator' . . . . . . . . . . . . . . 26658 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcriptional regulator' 26658 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 1 MET . 26658 1 2 2 VAL . 26658 1 3 3 LYS . 26658 1 4 4 ASP . 26658 1 5 5 ARG . 26658 1 6 6 GLN . 26658 1 7 7 ILE . 26658 1 8 8 GLN . 26658 1 9 9 LYS . 26658 1 10 10 THR . 26658 1 11 11 LYS . 26658 1 12 12 VAL . 26658 1 13 13 ALA . 26658 1 14 14 ILE . 26658 1 15 15 TYR . 26658 1 16 16 ASN . 26658 1 17 17 ALA . 26658 1 18 18 PHE . 26658 1 19 19 ILE . 26658 1 20 20 SER . 26658 1 21 21 LEU . 26658 1 22 22 LEU . 26658 1 23 23 GLN . 26658 1 24 24 GLU . 26658 1 25 25 ASN . 26658 1 26 26 ASP . 26658 1 27 27 TYR . 26658 1 28 28 SER . 26658 1 29 29 LYS . 26658 1 30 30 ILE . 26658 1 31 31 THR . 26658 1 32 32 VAL . 26658 1 33 33 GLN . 26658 1 34 34 ASP . 26658 1 35 35 VAL . 26658 1 36 36 ILE . 26658 1 37 37 GLY . 26658 1 38 38 LEU . 26658 1 39 39 ALA . 26658 1 40 40 ASN . 26658 1 41 41 VAL . 26658 1 42 42 GLY . 26658 1 43 43 ARG . 26658 1 44 44 SER . 26658 1 45 45 THR . 26658 1 46 46 PHE . 26658 1 47 47 TYR . 26658 1 48 48 SER . 26658 1 49 49 HIS . 26658 1 50 50 TYR . 26658 1 51 51 GLU . 26658 1 52 52 SER . 26658 1 53 53 LYS . 26658 1 54 54 GLU . 26658 1 55 55 VAL . 26658 1 56 56 LEU . 26658 1 57 57 LEU . 26658 1 58 58 LYS . 26658 1 59 59 GLU . 26658 1 60 60 LEU . 26658 1 61 61 CYS . 26658 1 62 62 GLU . 26658 1 63 63 ASP . 26658 1 64 64 LEU . 26658 1 65 65 PHE . 26658 1 66 66 HIS . 26658 1 67 67 HIS . 26658 1 68 68 LEU . 26658 1 69 69 PHE . 26658 1 70 70 LYS . 26658 1 71 71 GLN . 26658 1 72 72 GLY . 26658 1 73 73 ARG . 26658 1 74 74 ASP . 26658 1 75 75 VAL . 26658 1 76 76 THR . 26658 1 77 77 PHE . 26658 1 78 78 GLU . 26658 1 79 79 GLU . 26658 1 80 80 TYR . 26658 1 81 81 LEU . 26658 1 82 82 VAL . 26658 1 83 83 HIS . 26658 1 84 84 ILE . 26658 1 85 85 LEU . 26658 1 86 86 LYS . 26658 1 87 87 HIS . 26658 1 88 88 PHE . 26658 1 89 89 GLU . 26658 1 90 90 GLN . 26658 1 91 91 ASN . 26658 1 92 92 GLN . 26658 1 93 93 ASP . 26658 1 94 94 SER . 26658 1 95 95 ILE . 26658 1 96 96 ALA . 26658 1 97 97 THR . 26658 1 98 98 LEU . 26658 1 99 99 LEU . 26658 1 100 100 LEU . 26658 1 101 101 SER . 26658 1 102 102 ASP . 26658 1 103 103 ASP . 26658 1 104 104 PRO . 26658 1 105 105 TYR . 26658 1 106 106 PHE . 26658 1 107 107 LEU . 26658 1 108 108 LEU . 26658 1 109 109 ARG . 26658 1 110 110 PHE . 26658 1 111 111 ARG . 26658 1 112 112 SER . 26658 1 113 113 GLU . 26658 1 114 114 LEU . 26658 1 115 115 GLU . 26658 1 116 116 HIS . 26658 1 117 117 ASP . 26658 1 118 118 VAL . 26658 1 119 119 TYR . 26658 1 120 120 PRO . 26658 1 121 121 ARG . 26658 1 122 122 LEU . 26658 1 123 123 ARG . 26658 1 124 124 GLU . 26658 1 125 125 GLU . 26658 1 126 126 TYR . 26658 1 127 127 ILE . 26658 1 128 128 THR . 26658 1 129 129 LYS . 26658 1 130 130 VAL . 26658 1 131 131 ASP . 26658 1 132 132 ILE . 26658 1 133 133 PRO . 26658 1 134 134 GLU . 26658 1 135 135 ASP . 26658 1 136 136 PHE . 26658 1 137 137 LEU . 26658 1 138 138 LYS . 26658 1 139 139 GLN . 26658 1 140 140 PHE . 26658 1 141 141 LEU . 26658 1 142 142 LEU . 26658 1 143 143 SER . 26658 1 144 144 SER . 26658 1 145 145 PHE . 26658 1 146 146 ILE . 26658 1 147 147 GLU . 26658 1 148 148 THR . 26658 1 149 149 LEU . 26658 1 150 150 LYS . 26658 1 151 151 TRP . 26658 1 152 152 TRP . 26658 1 153 153 LEU . 26658 1 154 154 HIS . 26658 1 155 155 GLN . 26658 1 156 156 ARG . 26658 1 157 157 GLN . 26658 1 158 158 LYS . 26658 1 159 159 MET . 26658 1 160 160 THR . 26658 1 161 161 VAL . 26658 1 162 162 GLU . 26658 1 163 163 ASP . 26658 1 164 164 LEU . 26658 1 165 165 LEU . 26658 1 166 166 LYS . 26658 1 167 167 TYR . 26658 1 168 168 TYR . 26658 1 169 169 LEU . 26658 1 170 170 THR . 26658 1 171 171 MET . 26658 1 172 172 VAL . 26658 1 173 173 GLU . 26658 1 174 174 ARG . 26658 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 26658 1 . VAL 2 2 26658 1 . LYS 3 3 26658 1 . ASP 4 4 26658 1 . ARG 5 5 26658 1 . GLN 6 6 26658 1 . ILE 7 7 26658 1 . GLN 8 8 26658 1 . LYS 9 9 26658 1 . THR 10 10 26658 1 . LYS 11 11 26658 1 . VAL 12 12 26658 1 . ALA 13 13 26658 1 . ILE 14 14 26658 1 . TYR 15 15 26658 1 . ASN 16 16 26658 1 . ALA 17 17 26658 1 . PHE 18 18 26658 1 . ILE 19 19 26658 1 . SER 20 20 26658 1 . LEU 21 21 26658 1 . LEU 22 22 26658 1 . GLN 23 23 26658 1 . GLU 24 24 26658 1 . ASN 25 25 26658 1 . ASP 26 26 26658 1 . TYR 27 27 26658 1 . SER 28 28 26658 1 . LYS 29 29 26658 1 . ILE 30 30 26658 1 . THR 31 31 26658 1 . VAL 32 32 26658 1 . GLN 33 33 26658 1 . ASP 34 34 26658 1 . VAL 35 35 26658 1 . ILE 36 36 26658 1 . GLY 37 37 26658 1 . LEU 38 38 26658 1 . ALA 39 39 26658 1 . ASN 40 40 26658 1 . VAL 41 41 26658 1 . GLY 42 42 26658 1 . ARG 43 43 26658 1 . SER 44 44 26658 1 . THR 45 45 26658 1 . PHE 46 46 26658 1 . TYR 47 47 26658 1 . SER 48 48 26658 1 . HIS 49 49 26658 1 . TYR 50 50 26658 1 . GLU 51 51 26658 1 . SER 52 52 26658 1 . LYS 53 53 26658 1 . GLU 54 54 26658 1 . VAL 55 55 26658 1 . LEU 56 56 26658 1 . LEU 57 57 26658 1 . LYS 58 58 26658 1 . GLU 59 59 26658 1 . LEU 60 60 26658 1 . CYS 61 61 26658 1 . GLU 62 62 26658 1 . ASP 63 63 26658 1 . LEU 64 64 26658 1 . PHE 65 65 26658 1 . HIS 66 66 26658 1 . HIS 67 67 26658 1 . LEU 68 68 26658 1 . PHE 69 69 26658 1 . LYS 70 70 26658 1 . GLN 71 71 26658 1 . GLY 72 72 26658 1 . ARG 73 73 26658 1 . ASP 74 74 26658 1 . VAL 75 75 26658 1 . THR 76 76 26658 1 . PHE 77 77 26658 1 . GLU 78 78 26658 1 . GLU 79 79 26658 1 . TYR 80 80 26658 1 . LEU 81 81 26658 1 . VAL 82 82 26658 1 . HIS 83 83 26658 1 . ILE 84 84 26658 1 . LEU 85 85 26658 1 . LYS 86 86 26658 1 . HIS 87 87 26658 1 . PHE 88 88 26658 1 . GLU 89 89 26658 1 . GLN 90 90 26658 1 . ASN 91 91 26658 1 . GLN 92 92 26658 1 . ASP 93 93 26658 1 . SER 94 94 26658 1 . ILE 95 95 26658 1 . ALA 96 96 26658 1 . THR 97 97 26658 1 . LEU 98 98 26658 1 . LEU 99 99 26658 1 . LEU 100 100 26658 1 . SER 101 101 26658 1 . ASP 102 102 26658 1 . ASP 103 103 26658 1 . PRO 104 104 26658 1 . TYR 105 105 26658 1 . PHE 106 106 26658 1 . LEU 107 107 26658 1 . LEU 108 108 26658 1 . ARG 109 109 26658 1 . PHE 110 110 26658 1 . ARG 111 111 26658 1 . SER 112 112 26658 1 . GLU 113 113 26658 1 . LEU 114 114 26658 1 . GLU 115 115 26658 1 . HIS 116 116 26658 1 . ASP 117 117 26658 1 . VAL 118 118 26658 1 . TYR 119 119 26658 1 . PRO 120 120 26658 1 . ARG 121 121 26658 1 . LEU 122 122 26658 1 . ARG 123 123 26658 1 . GLU 124 124 26658 1 . GLU 125 125 26658 1 . TYR 126 126 26658 1 . ILE 127 127 26658 1 . THR 128 128 26658 1 . LYS 129 129 26658 1 . VAL 130 130 26658 1 . ASP 131 131 26658 1 . ILE 132 132 26658 1 . PRO 133 133 26658 1 . GLU 134 134 26658 1 . ASP 135 135 26658 1 . PHE 136 136 26658 1 . LEU 137 137 26658 1 . LYS 138 138 26658 1 . GLN 139 139 26658 1 . PHE 140 140 26658 1 . LEU 141 141 26658 1 . LEU 142 142 26658 1 . SER 143 143 26658 1 . SER 144 144 26658 1 . PHE 145 145 26658 1 . ILE 146 146 26658 1 . GLU 147 147 26658 1 . THR 148 148 26658 1 . LEU 149 149 26658 1 . LYS 150 150 26658 1 . TRP 151 151 26658 1 . TRP 152 152 26658 1 . LEU 153 153 26658 1 . HIS 154 154 26658 1 . GLN 155 155 26658 1 . ARG 156 156 26658 1 . GLN 157 157 26658 1 . LYS 158 158 26658 1 . MET 159 159 26658 1 . THR 160 160 26658 1 . VAL 161 161 26658 1 . GLU 162 162 26658 1 . ASP 163 163 26658 1 . LEU 164 164 26658 1 . LEU 165 165 26658 1 . LYS 166 166 26658 1 . TYR 167 167 26658 1 . TYR 168 168 26658 1 . LEU 169 169 26658 1 . THR 170 170 26658 1 . MET 171 171 26658 1 . VAL 172 172 26658 1 . GLU 173 173 26658 1 . ARG 174 174 26658 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 26658 _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 $SczA_transcriptional_regulator . 1311 organism . 'Streptococcus agalactiae' firmicutes . . Bacteria . Streptococcus agalactiae 2603V . . . . . . . . . . . . 26658 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 26658 _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 $SczA_transcriptional_regulator . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta(DE3)pLysS . . . . . pET3a . . . 26658 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26658 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SczA transcriptional regulator' '[U-13C; U-15N; U-2H]' . . 1 $SczA_transcriptional_regulator . . 0.3 . . mM . . . . 26658 1 2 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 26658 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 26658 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 26658 1 5 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 26658 1 6 MES 'natural abundance' . . . . . . 25 . . mM . . . . 26658 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26658 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26658 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 26658 _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 6.5 . pH 26658 1 pressure 1 . atm 26658 1 temperature 273 . K 26658 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26658 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26658 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26658 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26658 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26658 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26658 2 stop_ save_ save_hmsIST _Software.Sf_category software _Software.Sf_framecode hmsIST _Software.Entry_ID 26658 _Software.ID 3 _Software.Name hmsIST _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Sven G. Hyberts, Alexander G. Milbradt, Andreas B. Wagner, Haribabu Arthanari, Gerhard Wagner' . http://gwagner.med.harvard.edu/intranet/hmsIST/ 26658 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26658 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26658 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus L.J. Keller' . http://cara.nmr.ch/ 26658 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26658 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26658 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26658 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26658 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 800 . . . 26658 1 2 spectrometer_2 Varian VNMRS . 600 . . . 26658 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 26658 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26658 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26658 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26658 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26658 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26658 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26658 1 7 '3D HNCBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26658 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26658 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26658 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26658 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26658 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26658 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26658 1 2 '3D HNCO' . . . 26658 1 3 '3D HNCA' . . . 26658 1 4 '3D HNCACB' . . . 26658 1 5 '3D HN(CO)CA' . . . 26658 1 6 '3D HN(CA)CO' . . . 26658 1 7 '3D HNCBCA(CO)NH' . . . 26658 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 $VNMRJ . . 26658 1 2 $NMRPipe . . 26658 1 3 $hmsIST . . 26658 1 4 $CARA . . 26658 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 4 4 ASP H H 1 8.306 0.020 . 1 . . . . 4 ASP H . 26658 1 2 . 1 1 4 4 ASP C C 13 176.326 0.3 . 1 . . . . 4 ASP C . 26658 1 3 . 1 1 4 4 ASP CA C 13 53.956 0.3 . 1 . . . . 4 ASP CA . 26658 1 4 . 1 1 4 4 ASP CB C 13 40.593 0.3 . 1 . . . . 4 ASP CB . 26658 1 5 . 1 1 4 4 ASP N N 15 122.210 0.3 . 1 . . . . 4 ASP N . 26658 1 6 . 1 1 5 5 ARG H H 1 8.327 0.020 . 1 . . . . 5 ARG H . 26658 1 7 . 1 1 5 5 ARG C C 13 176.670 0.3 . 1 . . . . 5 ARG C . 26658 1 8 . 1 1 5 5 ARG CA C 13 56.139 0.3 . 1 . . . . 5 ARG CA . 26658 1 9 . 1 1 5 5 ARG CB C 13 29.493 0.3 . 1 . . . . 5 ARG CB . 26658 1 10 . 1 1 5 5 ARG N N 15 122.210 0.3 . 1 . . . . 5 ARG N . 26658 1 11 . 1 1 6 6 GLN H H 1 8.348 0.020 . 1 . . . . 6 GLN H . 26658 1 12 . 1 1 6 6 GLN C C 13 176.681 0.3 . 1 . . . . 6 GLN C . 26658 1 13 . 1 1 6 6 GLN CA C 13 56.001 0.3 . 1 . . . . 6 GLN CA . 26658 1 14 . 1 1 6 6 GLN CB C 13 27.927 0.3 . 1 . . . . 6 GLN CB . 26658 1 15 . 1 1 6 6 GLN N N 15 120.992 0.3 . 1 . . . . 6 GLN N . 26658 1 16 . 1 1 7 7 ILE H H 1 8.032 0.020 . 1 . . . . 7 ILE H . 26658 1 17 . 1 1 7 7 ILE C C 13 176.646 0.3 . 1 . . . . 7 ILE C . 26658 1 18 . 1 1 7 7 ILE CA C 13 61.640 0.3 . 1 . . . . 7 ILE CA . 26658 1 19 . 1 1 7 7 ILE CB C 13 37.249 0.3 . 1 . . . . 7 ILE CB . 26658 1 20 . 1 1 7 7 ILE N N 15 122.214 0.3 . 1 . . . . 7 ILE N . 26658 1 21 . 1 1 8 8 GLN H H 1 8.245 0.020 . 1 . . . . 8 GLN H . 26658 1 22 . 1 1 8 8 GLN C C 13 177.049 0.3 . 1 . . . . 8 GLN C . 26658 1 23 . 1 1 8 8 GLN CA C 13 56.305 0.3 . 1 . . . . 8 GLN CA . 26658 1 24 . 1 1 8 8 GLN CB C 13 27.785 0.3 . 1 . . . . 8 GLN CB . 26658 1 25 . 1 1 8 8 GLN N N 15 123.230 0.3 . 1 . . . . 8 GLN N . 26658 1 26 . 1 1 9 9 LYS H H 1 8.202 0.020 . 1 . . . . 9 LYS H . 26658 1 27 . 1 1 9 9 LYS CA C 13 58.240 0.3 . 1 . . . . 9 LYS CA . 26658 1 28 . 1 1 9 9 LYS N N 15 121.455 0.3 . 1 . . . . 9 LYS N . 26658 1 29 . 1 1 11 11 LYS H H 1 7.430 0.020 . 1 . . . . 11 LYS H . 26658 1 30 . 1 1 11 11 LYS C C 13 177.938 0.3 . 1 . . . . 11 LYS C . 26658 1 31 . 1 1 11 11 LYS CA C 13 60.217 0.3 . 1 . . . . 11 LYS CA . 26658 1 32 . 1 1 11 11 LYS CB C 13 30.987 0.3 . 1 . . . . 11 LYS CB . 26658 1 33 . 1 1 11 11 LYS N N 15 122.115 0.3 . 1 . . . . 11 LYS N . 26658 1 34 . 1 1 12 12 VAL H H 1 7.523 0.020 . 1 . . . . 12 VAL H . 26658 1 35 . 1 1 12 12 VAL C C 13 177.476 0.3 . 1 . . . . 12 VAL C . 26658 1 36 . 1 1 12 12 VAL CA C 13 65.235 0.3 . 1 . . . . 12 VAL CA . 26658 1 37 . 1 1 12 12 VAL CB C 13 30.845 0.3 . 1 . . . . 12 VAL CB . 26658 1 38 . 1 1 12 12 VAL N N 15 117.898 0.3 . 1 . . . . 12 VAL N . 26658 1 39 . 1 1 13 13 ALA H H 1 7.684 0.020 . 1 . . . . 13 ALA H . 26658 1 40 . 1 1 13 13 ALA C C 13 181.433 0.3 . 1 . . . . 13 ALA C . 26658 1 41 . 1 1 13 13 ALA CA C 13 54.591 0.3 . 1 . . . . 13 ALA CA . 26658 1 42 . 1 1 13 13 ALA CB C 13 17.111 0.3 . 1 . . . . 13 ALA CB . 26658 1 43 . 1 1 13 13 ALA N N 15 121.923 0.3 . 1 . . . . 13 ALA N . 26658 1 44 . 1 1 14 14 ILE H H 1 7.794 0.020 . 1 . . . . 14 ILE H . 26658 1 45 . 1 1 14 14 ILE C C 13 176.362 0.3 . 1 . . . . 14 ILE C . 26658 1 46 . 1 1 14 14 ILE CA C 13 65.150 0.3 . 1 . . . . 14 ILE CA . 26658 1 47 . 1 1 14 14 ILE CB C 13 37.149 0.3 . 1 . . . . 14 ILE CB . 26658 1 48 . 1 1 14 14 ILE N N 15 119.245 0.3 . 1 . . . . 14 ILE N . 26658 1 49 . 1 1 15 15 TYR H H 1 8.458 0.020 . 1 . . . . 15 TYR H . 26658 1 50 . 1 1 15 15 TYR C C 13 177.429 0.3 . 1 . . . . 15 TYR C . 26658 1 51 . 1 1 15 15 TYR CA C 13 61.004 0.3 . 1 . . . . 15 TYR CA . 26658 1 52 . 1 1 15 15 TYR CB C 13 37.496 0.3 . 1 . . . . 15 TYR CB . 26658 1 53 . 1 1 15 15 TYR N N 15 121.834 0.3 . 1 . . . . 15 TYR N . 26658 1 54 . 1 1 16 16 ASN H H 1 8.945 0.020 . 1 . . . . 16 ASN H . 26658 1 55 . 1 1 16 16 ASN C C 13 178.590 0.3 . 1 . . . . 16 ASN C . 26658 1 56 . 1 1 16 16 ASN CA C 13 55.117 0.3 . 1 . . . . 16 ASN CA . 26658 1 57 . 1 1 16 16 ASN CB C 13 36.940 0.3 . 1 . . . . 16 ASN CB . 26658 1 58 . 1 1 16 16 ASN N N 15 115.838 0.3 . 1 . . . . 16 ASN N . 26658 1 59 . 1 1 17 17 ALA H H 1 7.871 0.020 . 1 . . . . 17 ALA H . 26658 1 60 . 1 1 17 17 ALA C C 13 178.531 0.3 . 1 . . . . 17 ALA C . 26658 1 61 . 1 1 17 17 ALA CA C 13 54.315 0.3 . 1 . . . . 17 ALA CA . 26658 1 62 . 1 1 17 17 ALA CB C 13 18.276 0.3 . 1 . . . . 17 ALA CB . 26658 1 63 . 1 1 17 17 ALA N N 15 124.365 0.3 . 1 . . . . 17 ALA N . 26658 1 64 . 1 1 18 18 PHE H H 1 8.191 0.020 . 1 . . . . 18 PHE H . 26658 1 65 . 1 1 18 18 PHE C C 13 175.877 0.3 . 1 . . . . 18 PHE C . 26658 1 66 . 1 1 18 18 PHE CA C 13 60.424 0.3 . 1 . . . . 18 PHE CA . 26658 1 67 . 1 1 18 18 PHE CB C 13 38.467 0.3 . 1 . . . . 18 PHE CB . 26658 1 68 . 1 1 18 18 PHE N N 15 119.081 0.3 . 1 . . . . 18 PHE N . 26658 1 69 . 1 1 19 19 ILE H H 1 8.108 0.020 . 1 . . . . 19 ILE H . 26658 1 70 . 1 1 19 19 ILE C C 13 179.004 0.3 . 1 . . . . 19 ILE C . 26658 1 71 . 1 1 19 19 ILE CA C 13 64.183 0.3 . 1 . . . . 19 ILE CA . 26658 1 72 . 1 1 19 19 ILE CB C 13 36.110 0.3 . 1 . . . . 19 ILE CB . 26658 1 73 . 1 1 19 19 ILE N N 15 117.230 0.3 . 1 . . . . 19 ILE N . 26658 1 74 . 1 1 20 20 SER H H 1 7.903 0.020 . 1 . . . . 20 SER H . 26658 1 75 . 1 1 20 20 SER C C 13 178.028 0.3 . 1 . . . . 20 SER C . 26658 1 76 . 1 1 20 20 SER CA C 13 61.323 0.3 . 1 . . . . 20 SER CA . 26658 1 77 . 1 1 20 20 SER CB C 13 62.082 0.3 . 1 . . . . 20 SER CB . 26658 1 78 . 1 1 20 20 SER N N 15 115.626 0.3 . 1 . . . . 20 SER N . 26658 1 79 . 1 1 21 21 LEU H H 1 8.141 0.020 . 1 . . . . 21 LEU H . 26658 1 80 . 1 1 21 21 LEU C C 13 179.680 0.3 . 1 . . . . 21 LEU C . 26658 1 81 . 1 1 21 21 LEU CA C 13 57.273 0.3 . 1 . . . . 21 LEU CA . 26658 1 82 . 1 1 21 21 LEU CB C 13 41.104 0.3 . 1 . . . . 21 LEU CB . 26658 1 83 . 1 1 21 21 LEU N N 15 122.961 0.3 . 1 . . . . 21 LEU N . 26658 1 84 . 1 1 22 22 LEU H H 1 7.769 0.020 . 1 . . . . 22 LEU H . 26658 1 85 . 1 1 22 22 LEU C C 13 177.166 0.3 . 1 . . . . 22 LEU C . 26658 1 86 . 1 1 22 22 LEU CA C 13 55.365 0.3 . 1 . . . . 22 LEU CA . 26658 1 87 . 1 1 22 22 LEU CB C 13 40.999 0.3 . 1 . . . . 22 LEU CB . 26658 1 88 . 1 1 22 22 LEU N N 15 120.891 0.3 . 1 . . . . 22 LEU N . 26658 1 89 . 1 1 23 23 GLN H H 1 7.289 0.020 . 1 . . . . 23 GLN H . 26658 1 90 . 1 1 23 23 GLN C C 13 177.238 0.3 . 1 . . . . 23 GLN C . 26658 1 91 . 1 1 23 23 GLN CA C 13 57.326 0.3 . 1 . . . . 23 GLN CA . 26658 1 92 . 1 1 23 23 GLN CB C 13 27.920 0.3 . 1 . . . . 23 GLN CB . 26658 1 93 . 1 1 23 23 GLN N N 15 115.457 0.3 . 1 . . . . 23 GLN N . 26658 1 94 . 1 1 24 24 GLU H H 1 7.138 0.020 . 1 . . . . 24 GLU H . 26658 1 95 . 1 1 24 24 GLU C C 13 174.929 0.3 . 1 . . . . 24 GLU C . 26658 1 96 . 1 1 24 24 GLU CA C 13 54.895 0.3 . 1 . . . . 24 GLU CA . 26658 1 97 . 1 1 24 24 GLU CB C 13 31.667 0.3 . 1 . . . . 24 GLU CB . 26658 1 98 . 1 1 24 24 GLU N N 15 113.293 0.3 . 1 . . . . 24 GLU N . 26658 1 99 . 1 1 25 25 ASN H H 1 7.667 0.020 . 1 . . . . 25 ASN H . 26658 1 100 . 1 1 25 25 ASN C C 13 172.653 0.3 . 1 . . . . 25 ASN C . 26658 1 101 . 1 1 25 25 ASN CA C 13 51.260 0.3 . 1 . . . . 25 ASN CA . 26658 1 102 . 1 1 25 25 ASN CB C 13 42.087 0.3 . 1 . . . . 25 ASN CB . 26658 1 103 . 1 1 25 25 ASN N N 15 117.863 0.3 . 1 . . . . 25 ASN N . 26658 1 104 . 1 1 26 26 ASP H H 1 8.226 0.020 . 1 . . . . 26 ASP H . 26658 1 105 . 1 1 26 26 ASP C C 13 176.907 0.3 . 1 . . . . 26 ASP C . 26658 1 106 . 1 1 26 26 ASP CA C 13 53.624 0.3 . 1 . . . . 26 ASP CA . 26658 1 107 . 1 1 26 26 ASP CB C 13 41.376 0.3 . 1 . . . . 26 ASP CB . 26658 1 108 . 1 1 26 26 ASP N N 15 119.304 0.3 . 1 . . . . 26 ASP N . 26658 1 109 . 1 1 27 27 TYR H H 1 8.624 0.020 . 1 . . . . 27 TYR H . 26658 1 110 . 1 1 27 27 TYR C C 13 177.627 0.3 . 1 . . . . 27 TYR C . 26658 1 111 . 1 1 27 27 TYR CA C 13 61.170 0.3 . 1 . . . . 27 TYR CA . 26658 1 112 . 1 1 27 27 TYR CB C 13 38.077 0.3 . 1 . . . . 27 TYR CB . 26658 1 113 . 1 1 27 27 TYR N N 15 124.545 0.3 . 1 . . . . 27 TYR N . 26658 1 114 . 1 1 28 28 SER H H 1 8.837 0.020 . 1 . . . . 28 SER H . 26658 1 115 . 1 1 28 28 SER C C 13 174.809 0.3 . 1 . . . . 28 SER C . 26658 1 116 . 1 1 28 28 SER CA C 13 60.064 0.3 . 1 . . . . 28 SER CA . 26658 1 117 . 1 1 28 28 SER CB C 13 62.128 0.3 . 1 . . . . 28 SER CB . 26658 1 118 . 1 1 28 28 SER N N 15 113.583 0.3 . 1 . . . . 28 SER N . 26658 1 119 . 1 1 29 29 LYS H H 1 7.461 0.020 . 1 . . . . 29 LYS H . 26658 1 120 . 1 1 29 29 LYS C C 13 176.504 0.3 . 1 . . . . 29 LYS C . 26658 1 121 . 1 1 29 29 LYS CA C 13 55.200 0.3 . 1 . . . . 29 LYS CA . 26658 1 122 . 1 1 29 29 LYS CB C 13 32.268 0.3 . 1 . . . . 29 LYS CB . 26658 1 123 . 1 1 29 29 LYS N N 15 120.033 0.3 . 1 . . . . 29 LYS N . 26658 1 124 . 1 1 30 30 ILE H H 1 6.884 0.020 . 1 . . . . 30 ILE H . 26658 1 125 . 1 1 30 30 ILE C C 13 175.509 0.3 . 1 . . . . 30 ILE C . 26658 1 126 . 1 1 30 30 ILE CA C 13 61.096 0.3 . 1 . . . . 30 ILE CA . 26658 1 127 . 1 1 30 30 ILE CB C 13 38.672 0.3 . 1 . . . . 30 ILE CB . 26658 1 128 . 1 1 30 30 ILE N N 15 119.738 0.3 . 1 . . . . 30 ILE N . 26658 1 129 . 1 1 31 31 THR H H 1 8.849 0.020 . 1 . . . . 31 THR H . 26658 1 130 . 1 1 31 31 THR C C 13 175.923 0.3 . 1 . . . . 31 THR C . 26658 1 131 . 1 1 31 31 THR CA C 13 58.461 0.3 . 1 . . . . 31 THR CA . 26658 1 132 . 1 1 31 31 THR CB C 13 71.831 0.3 . 1 . . . . 31 THR CB . 26658 1 133 . 1 1 31 31 THR N N 15 118.275 0.3 . 1 . . . . 31 THR N . 26658 1 134 . 1 1 32 32 VAL H H 1 8.609 0.020 . 1 . . . . 32 VAL H . 26658 1 135 . 1 1 32 32 VAL C C 13 177.155 0.3 . 1 . . . . 32 VAL C . 26658 1 136 . 1 1 32 32 VAL CA C 13 66.526 0.3 . 1 . . . . 32 VAL CA . 26658 1 137 . 1 1 32 32 VAL CB C 13 30.133 0.3 . 1 . . . . 32 VAL CB . 26658 1 138 . 1 1 32 32 VAL N N 15 120.892 0.3 . 1 . . . . 32 VAL N . 26658 1 139 . 1 1 33 33 GLN H H 1 7.942 0.020 . 1 . . . . 33 GLN H . 26658 1 140 . 1 1 33 33 GLN C C 13 178.340 0.3 . 1 . . . . 33 GLN C . 26658 1 141 . 1 1 33 33 GLN CA C 13 58.431 0.3 . 1 . . . . 33 GLN CA . 26658 1 142 . 1 1 33 33 GLN CB C 13 27.145 0.3 . 1 . . . . 33 GLN CB . 26658 1 143 . 1 1 33 33 GLN N N 15 118.178 0.3 . 1 . . . . 33 GLN N . 26658 1 144 . 1 1 34 34 ASP H H 1 7.656 0.020 . 1 . . . . 34 ASP H . 26658 1 145 . 1 1 34 34 ASP C C 13 178.490 0.3 . 1 . . . . 34 ASP C . 26658 1 146 . 1 1 34 34 ASP CA C 13 56.830 0.3 . 1 . . . . 34 ASP CA . 26658 1 147 . 1 1 34 34 ASP CB C 13 40.722 0.3 . 1 . . . . 34 ASP CB . 26658 1 148 . 1 1 34 34 ASP N N 15 120.084 0.3 . 1 . . . . 34 ASP N . 26658 1 149 . 1 1 35 35 VAL H H 1 7.295 0.020 . 1 . . . . 35 VAL H . 26658 1 150 . 1 1 35 35 VAL C C 13 177.463 0.3 . 1 . . . . 35 VAL C . 26658 1 151 . 1 1 35 35 VAL CA C 13 65.716 0.3 . 1 . . . . 35 VAL CA . 26658 1 152 . 1 1 35 35 VAL CB C 13 30.774 0.3 . 1 . . . . 35 VAL CB . 26658 1 153 . 1 1 35 35 VAL N N 15 119.905 0.3 . 1 . . . . 35 VAL N . 26658 1 154 . 1 1 36 36 ILE H H 1 8.416 0.020 . 1 . . . . 36 ILE H . 26658 1 155 . 1 1 36 36 ILE C C 13 178.566 0.3 . 1 . . . . 36 ILE C . 26658 1 156 . 1 1 36 36 ILE CA C 13 65.150 0.3 . 1 . . . . 36 ILE CA . 26658 1 157 . 1 1 36 36 ILE CB C 13 35.043 0.3 . 1 . . . . 36 ILE CB . 26658 1 158 . 1 1 36 36 ILE N N 15 115.181 0.3 . 1 . . . . 36 ILE N . 26658 1 159 . 1 1 37 37 GLY H H 1 7.968 0.020 . 1 . . . . 37 GLY H . 26658 1 160 . 1 1 37 37 GLY C C 13 175.901 0.3 . 1 . . . . 37 GLY C . 26658 1 161 . 1 1 37 37 GLY CA C 13 45.995 0.3 . 1 . . . . 37 GLY CA . 26658 1 162 . 1 1 37 37 GLY N N 15 108.104 0.3 . 1 . . . . 37 GLY N . 26658 1 163 . 1 1 38 38 LEU H H 1 7.263 0.020 . 1 . . . . 38 LEU H . 26658 1 164 . 1 1 38 38 LEU C C 13 178.258 0.3 . 1 . . . . 38 LEU C . 26658 1 165 . 1 1 38 38 LEU CA C 13 56.192 0.3 . 1 . . . . 38 LEU CA . 26658 1 166 . 1 1 38 38 LEU CB C 13 41.233 0.3 . 1 . . . . 38 LEU CB . 26658 1 167 . 1 1 38 38 LEU N N 15 122.488 0.3 . 1 . . . . 38 LEU N . 26658 1 168 . 1 1 39 39 ALA H H 1 8.272 0.020 . 1 . . . . 39 ALA H . 26658 1 169 . 1 1 39 39 ALA C C 13 176.242 0.3 . 1 . . . . 39 ALA C . 26658 1 170 . 1 1 39 39 ALA CA C 13 52.297 0.3 . 1 . . . . 39 ALA CA . 26658 1 171 . 1 1 39 39 ALA CB C 13 18.276 0.3 . 1 . . . . 39 ALA CB . 26658 1 172 . 1 1 39 39 ALA N N 15 119.116 0.3 . 1 . . . . 39 ALA N . 26658 1 173 . 1 1 40 40 ASN H H 1 7.837 0.020 . 1 . . . . 40 ASN H . 26658 1 174 . 1 1 40 40 ASN C C 13 174.462 0.3 . 1 . . . . 40 ASN C . 26658 1 175 . 1 1 40 40 ASN CA C 13 53.347 0.3 . 1 . . . . 40 ASN CA . 26658 1 176 . 1 1 40 40 ASN CB C 13 36.316 0.3 . 1 . . . . 40 ASN CB . 26658 1 177 . 1 1 40 40 ASN N N 15 114.199 0.3 . 1 . . . . 40 ASN N . 26658 1 178 . 1 1 41 41 VAL H H 1 7.454 0.020 . 1 . . . . 41 VAL H . 26658 1 179 . 1 1 41 41 VAL C C 13 175.094 0.3 . 1 . . . . 41 VAL C . 26658 1 180 . 1 1 41 41 VAL CA C 13 57.908 0.3 . 1 . . . . 41 VAL CA . 26658 1 181 . 1 1 41 41 VAL CB C 13 34.403 0.3 . 1 . . . . 41 VAL CB . 26658 1 182 . 1 1 41 41 VAL N N 15 109.363 0.3 . 1 . . . . 41 VAL N . 26658 1 183 . 1 1 42 42 GLY H H 1 8.290 0.020 . 1 . . . . 42 GLY H . 26658 1 184 . 1 1 42 42 GLY C C 13 175.091 0.3 . 1 . . . . 42 GLY C . 26658 1 185 . 1 1 42 42 GLY CA C 13 43.756 0.3 . 1 . . . . 42 GLY CA . 26658 1 186 . 1 1 42 42 GLY N N 15 107.105 0.3 . 1 . . . . 42 GLY N . 26658 1 187 . 1 1 43 43 ARG H H 1 8.754 0.020 . 1 . . . . 43 ARG H . 26658 1 188 . 1 1 43 43 ARG C C 13 177.987 0.3 . 1 . . . . 43 ARG C . 26658 1 189 . 1 1 43 43 ARG CA C 13 59.981 0.3 . 1 . . . . 43 ARG CA . 26658 1 190 . 1 1 43 43 ARG N N 15 122.962 0.3 . 1 . . . . 43 ARG N . 26658 1 191 . 1 1 45 45 THR H H 1 7.440 0.020 . 1 . . . . 45 THR H . 26658 1 192 . 1 1 45 45 THR C C 13 176.400 0.3 . 1 . . . . 45 THR C . 26658 1 193 . 1 1 45 45 THR CA C 13 65.454 0.3 . 1 . . . . 45 THR CA . 26658 1 194 . 1 1 45 45 THR CB C 13 67.462 0.3 . 1 . . . . 45 THR CB . 26658 1 195 . 1 1 45 45 THR N N 15 120.150 0.3 . 1 . . . . 45 THR N . 26658 1 196 . 1 1 46 46 PHE H H 1 7.944 0.020 . 1 . . . . 46 PHE H . 26658 1 197 . 1 1 46 46 PHE C C 13 176.693 0.3 . 1 . . . . 46 PHE C . 26658 1 198 . 1 1 46 46 PHE CA C 13 62.635 0.3 . 1 . . . . 46 PHE CA . 26658 1 199 . 1 1 46 46 PHE CB C 13 38.103 0.3 . 1 . . . . 46 PHE CB . 26658 1 200 . 1 1 46 46 PHE N N 15 122.305 0.3 . 1 . . . . 46 PHE N . 26658 1 201 . 1 1 47 47 TYR H H 1 7.970 0.020 . 1 . . . . 47 TYR H . 26658 1 202 . 1 1 47 47 TYR C C 13 177.096 0.3 . 1 . . . . 47 TYR C . 26658 1 203 . 1 1 47 47 TYR CA C 13 59.424 0.3 . 1 . . . . 47 TYR CA . 26658 1 204 . 1 1 47 47 TYR CB C 13 36.918 0.3 . 1 . . . . 47 TYR CB . 26658 1 205 . 1 1 47 47 TYR N N 15 116.119 0.3 . 1 . . . . 47 TYR N . 26658 1 206 . 1 1 48 48 SER H H 1 7.575 0.020 . 1 . . . . 48 SER H . 26658 1 207 . 1 1 48 48 SER C C 13 173.945 0.3 . 1 . . . . 48 SER C . 26658 1 208 . 1 1 48 48 SER CA C 13 59.962 0.3 . 1 . . . . 48 SER CA . 26658 1 209 . 1 1 48 48 SER CB C 13 61.869 0.3 . 1 . . . . 48 SER CB . 26658 1 210 . 1 1 48 48 SER N N 15 115.725 0.3 . 1 . . . . 48 SER N . 26658 1 211 . 1 1 49 49 HIS H H 1 7.061 0.020 . 1 . . . . 49 HIS H . 26658 1 212 . 1 1 49 49 HIS C C 13 174.290 0.3 . 1 . . . . 49 HIS C . 26658 1 213 . 1 1 49 49 HIS CA C 13 56.759 0.3 . 1 . . . . 49 HIS CA . 26658 1 214 . 1 1 49 49 HIS CB C 13 32.694 0.3 . 1 . . . . 49 HIS CB . 26658 1 215 . 1 1 49 49 HIS N N 15 118.825 0.3 . 1 . . . . 49 HIS N . 26658 1 216 . 1 1 50 50 TYR H H 1 8.161 0.020 . 1 . . . . 50 TYR H . 26658 1 217 . 1 1 50 50 TYR C C 13 174.253 0.3 . 1 . . . . 50 TYR C . 26658 1 218 . 1 1 50 50 TYR CA C 13 56.305 0.3 . 1 . . . . 50 TYR CA . 26658 1 219 . 1 1 50 50 TYR CB C 13 40.807 0.3 . 1 . . . . 50 TYR CB . 26658 1 220 . 1 1 50 50 TYR N N 15 118.015 0.3 . 1 . . . . 50 TYR N . 26658 1 221 . 1 1 51 51 GLU H H 1 8.259 0.020 . 1 . . . . 51 GLU H . 26658 1 222 . 1 1 51 51 GLU C C 13 176.148 0.3 . 1 . . . . 51 GLU C . 26658 1 223 . 1 1 51 51 GLU CA C 13 57.798 0.3 . 1 . . . . 51 GLU CA . 26658 1 224 . 1 1 51 51 GLU CB C 13 29.564 0.3 . 1 . . . . 51 GLU CB . 26658 1 225 . 1 1 51 51 GLU N N 15 117.708 0.3 . 1 . . . . 51 GLU N . 26658 1 226 . 1 1 52 52 SER H H 1 7.499 0.020 . 1 . . . . 52 SER H . 26658 1 227 . 1 1 52 52 SER C C 13 174.110 0.3 . 1 . . . . 52 SER C . 26658 1 228 . 1 1 52 52 SER CA C 13 56.084 0.3 . 1 . . . . 52 SER CA . 26658 1 229 . 1 1 52 52 SER CB C 13 65.065 0.3 . 1 . . . . 52 SER CB . 26658 1 230 . 1 1 52 52 SER N N 15 106.497 0.3 . 1 . . . . 52 SER N . 26658 1 231 . 1 1 53 53 LYS H H 1 9.124 0.020 . 1 . . . . 53 LYS H . 26658 1 232 . 1 1 53 53 LYS C C 13 176.338 0.3 . 1 . . . . 53 LYS C . 26658 1 233 . 1 1 53 53 LYS CA C 13 59.125 0.3 . 1 . . . . 53 LYS CA . 26658 1 234 . 1 1 53 53 LYS CB C 13 30.987 0.3 . 1 . . . . 53 LYS CB . 26658 1 235 . 1 1 53 53 LYS N N 15 120.520 0.3 . 1 . . . . 53 LYS N . 26658 1 236 . 1 1 54 54 GLU H H 1 8.196 0.020 . 1 . . . . 54 GLU H . 26658 1 237 . 1 1 54 54 GLU C C 13 178.320 0.3 . 1 . . . . 54 GLU C . 26658 1 238 . 1 1 54 54 GLU CA C 13 59.125 0.3 . 1 . . . . 54 GLU CA . 26658 1 239 . 1 1 54 54 GLU CB C 13 28.567 0.3 . 1 . . . . 54 GLU CB . 26658 1 240 . 1 1 54 54 GLU N N 15 118.750 0.3 . 1 . . . . 54 GLU N . 26658 1 241 . 1 1 55 55 VAL H H 1 7.378 0.020 . 1 . . . . 55 VAL H . 26658 1 242 . 1 1 55 55 VAL C C 13 178.020 0.3 . 1 . . . . 55 VAL C . 26658 1 243 . 1 1 55 55 VAL CA C 13 65.631 0.3 . 1 . . . . 55 VAL CA . 26658 1 244 . 1 1 55 55 VAL CB C 13 30.844 0.3 . 1 . . . . 55 VAL CB . 26658 1 245 . 1 1 55 55 VAL N N 15 118.552 0.3 . 1 . . . . 55 VAL N . 26658 1 246 . 1 1 56 56 LEU H H 1 6.821 0.020 . 1 . . . . 56 LEU H . 26658 1 247 . 1 1 56 56 LEU C C 13 177.405 0.3 . 1 . . . . 56 LEU C . 26658 1 248 . 1 1 56 56 LEU CA C 13 57.553 0.3 . 1 . . . . 56 LEU CA . 26658 1 249 . 1 1 56 56 LEU CB C 13 39.022 0.3 . 1 . . . . 56 LEU CB . 26658 1 250 . 1 1 56 56 LEU N N 15 122.115 0.3 . 1 . . . . 56 LEU N . 26658 1 251 . 1 1 57 57 LEU H H 1 7.509 0.020 . 1 . . . . 57 LEU H . 26658 1 252 . 1 1 57 57 LEU C C 13 178.744 0.3 . 1 . . . . 57 LEU C . 26658 1 253 . 1 1 57 57 LEU CA C 13 57.354 0.3 . 1 . . . . 57 LEU CA . 26658 1 254 . 1 1 57 57 LEU CB C 13 39.577 0.3 . 1 . . . . 57 LEU CB . 26658 1 255 . 1 1 57 57 LEU N N 15 118.831 0.3 . 1 . . . . 57 LEU N . 26658 1 256 . 1 1 58 58 LYS H H 1 8.192 0.020 . 1 . . . . 58 LYS H . 26658 1 257 . 1 1 58 58 LYS C C 13 178.910 0.3 . 1 . . . . 58 LYS C . 26658 1 258 . 1 1 58 58 LYS CA C 13 59.981 0.3 . 1 . . . . 58 LYS CA . 26658 1 259 . 1 1 58 58 LYS CB C 13 31.414 0.3 . 1 . . . . 58 LYS CB . 26658 1 260 . 1 1 58 58 LYS N N 15 120.168 0.3 . 1 . . . . 58 LYS N . 26658 1 261 . 1 1 59 59 GLU H H 1 7.970 0.020 . 1 . . . . 59 GLU H . 26658 1 262 . 1 1 59 59 GLU C C 13 179.085 0.3 . 1 . . . . 59 GLU C . 26658 1 263 . 1 1 59 59 GLU CA C 13 59.263 0.3 . 1 . . . . 59 GLU CA . 26658 1 264 . 1 1 59 59 GLU CB C 13 28.651 0.3 . 1 . . . . 59 GLU CB . 26658 1 265 . 1 1 59 59 GLU N N 15 120.514 0.3 . 1 . . . . 59 GLU N . 26658 1 266 . 1 1 60 60 LEU H H 1 8.383 0.020 . 1 . . . . 60 LEU H . 26658 1 267 . 1 1 60 60 LEU C C 13 179.292 0.3 . 1 . . . . 60 LEU C . 26658 1 268 . 1 1 60 60 LEU CA C 13 57.383 0.3 . 1 . . . . 60 LEU CA . 26658 1 269 . 1 1 60 60 LEU CB C 13 40.736 0.3 . 1 . . . . 60 LEU CB . 26658 1 270 . 1 1 60 60 LEU N N 15 121.834 0.3 . 1 . . . . 60 LEU N . 26658 1 271 . 1 1 61 61 CYS H H 1 8.688 0.020 . 1 . . . . 61 CYS H . 26658 1 272 . 1 1 61 61 CYS C C 13 175.477 0.3 . 1 . . . . 61 CYS C . 26658 1 273 . 1 1 61 61 CYS CA C 13 64.376 0.3 . 1 . . . . 61 CYS CA . 26658 1 274 . 1 1 61 61 CYS CB C 13 26.077 0.3 . 1 . . . . 61 CYS CB . 26658 1 275 . 1 1 61 61 CYS N N 15 115.552 0.3 . 1 . . . . 61 CYS N . 26658 1 276 . 1 1 62 62 GLU H H 1 7.818 0.020 . 1 . . . . 62 GLU H . 26658 1 277 . 1 1 62 62 GLU C C 13 179.182 0.3 . 1 . . . . 62 GLU C . 26658 1 278 . 1 1 62 62 GLU CA C 13 58.687 0.3 . 1 . . . . 62 GLU CA . 26658 1 279 . 1 1 62 62 GLU CB C 13 27.990 0.3 . 1 . . . . 62 GLU CB . 26658 1 280 . 1 1 62 62 GLU N N 15 117.619 0.3 . 1 . . . . 62 GLU N . 26658 1 281 . 1 1 63 63 ASP H H 1 7.618 0.020 . 1 . . . . 63 ASP H . 26658 1 282 . 1 1 63 63 ASP C C 13 178.566 0.3 . 1 . . . . 63 ASP C . 26658 1 283 . 1 1 63 63 ASP CA C 13 56.720 0.3 . 1 . . . . 63 ASP CA . 26658 1 284 . 1 1 63 63 ASP CB C 13 40.722 0.3 . 1 . . . . 63 ASP CB . 26658 1 285 . 1 1 63 63 ASP N N 15 120.149 0.3 . 1 . . . . 63 ASP N . 26658 1 286 . 1 1 64 64 LEU H H 1 8.639 0.020 . 1 . . . . 64 LEU H . 26658 1 287 . 1 1 64 64 LEU C C 13 180.421 0.3 . 1 . . . . 64 LEU C . 26658 1 288 . 1 1 64 64 LEU CA C 13 57.355 0.3 . 1 . . . . 64 LEU CA . 26658 1 289 . 1 1 64 64 LEU CB C 13 41.162 0.3 . 1 . . . . 64 LEU CB . 26658 1 290 . 1 1 64 64 LEU N N 15 120.107 0.3 . 1 . . . . 64 LEU N . 26658 1 291 . 1 1 65 65 PHE H H 1 8.657 0.020 . 1 . . . . 65 PHE H . 26658 1 292 . 1 1 65 65 PHE C C 13 178.364 0.3 . 1 . . . . 65 PHE C . 26658 1 293 . 1 1 65 65 PHE CA C 13 58.655 0.3 . 1 . . . . 65 PHE CA . 26658 1 294 . 1 1 65 65 PHE CB C 13 35.830 0.3 . 1 . . . . 65 PHE CB . 26658 1 295 . 1 1 65 65 PHE N N 15 116.678 0.3 . 1 . . . . 65 PHE N . 26658 1 296 . 1 1 66 66 HIS H H 1 7.950 0.020 . 1 . . . . 66 HIS H . 26658 1 297 . 1 1 66 66 HIS C C 13 176.788 0.3 . 1 . . . . 66 HIS C . 26658 1 298 . 1 1 66 66 HIS CA C 13 58.931 0.3 . 1 . . . . 66 HIS CA . 26658 1 299 . 1 1 66 66 HIS CB C 13 28.639 0.3 . 1 . . . . 66 HIS CB . 26658 1 300 . 1 1 66 66 HIS N N 15 120.374 0.3 . 1 . . . . 66 HIS N . 26658 1 301 . 1 1 67 67 HIS H H 1 7.606 0.020 . 1 . . . . 67 HIS H . 26658 1 302 . 1 1 67 67 HIS C C 13 176.729 0.3 . 1 . . . . 67 HIS C . 26658 1 303 . 1 1 67 67 HIS CA C 13 57.383 0.3 . 1 . . . . 67 HIS CA . 26658 1 304 . 1 1 67 67 HIS CB C 13 29.100 0.3 . 1 . . . . 67 HIS CB . 26658 1 305 . 1 1 67 67 HIS N N 15 114.612 0.3 . 1 . . . . 67 HIS N . 26658 1 306 . 1 1 68 68 LEU H H 1 8.062 0.020 . 1 . . . . 68 LEU H . 26658 1 307 . 1 1 68 68 LEU C C 13 176.765 0.3 . 1 . . . . 68 LEU C . 26658 1 308 . 1 1 68 68 LEU CA C 13 56.886 0.3 . 1 . . . . 68 LEU CA . 26658 1 309 . 1 1 68 68 LEU CB C 13 42.443 0.3 . 1 . . . . 68 LEU CB . 26658 1 310 . 1 1 68 68 LEU N N 15 118.863 0.3 . 1 . . . . 68 LEU N . 26658 1 311 . 1 1 69 69 PHE H H 1 7.886 0.020 . 1 . . . . 69 PHE H . 26658 1 312 . 1 1 69 69 PHE C C 13 177.440 0.3 . 1 . . . . 69 PHE C . 26658 1 313 . 1 1 69 69 PHE CA C 13 57.798 0.3 . 1 . . . . 69 PHE CA . 26658 1 314 . 1 1 69 69 PHE CB C 13 38.467 0.3 . 1 . . . . 69 PHE CB . 26658 1 315 . 1 1 69 69 PHE N N 15 111.614 0.3 . 1 . . . . 69 PHE N . 26658 1 316 . 1 1 70 70 LYS H H 1 7.539 0.020 . 1 . . . . 70 LYS H . 26658 1 317 . 1 1 70 70 LYS C C 13 175.948 0.3 . 1 . . . . 70 LYS C . 26658 1 318 . 1 1 70 70 LYS CA C 13 55.421 0.3 . 1 . . . . 70 LYS CA . 26658 1 319 . 1 1 70 70 LYS CB C 13 30.133 0.3 . 1 . . . . 70 LYS CB . 26658 1 320 . 1 1 70 70 LYS N N 15 121.251 0.3 . 1 . . . . 70 LYS N . 26658 1 321 . 1 1 71 71 GLN H H 1 8.106 0.020 . 1 . . . . 71 GLN H . 26658 1 322 . 1 1 71 71 GLN C C 13 176.219 0.3 . 1 . . . . 71 GLN C . 26658 1 323 . 1 1 71 71 GLN CA C 13 54.978 0.3 . 1 . . . . 71 GLN CA . 26658 1 324 . 1 1 71 71 GLN CB C 13 29.031 0.3 . 1 . . . . 71 GLN CB . 26658 1 325 . 1 1 71 71 GLN N N 15 122.735 0.3 . 1 . . . . 71 GLN N . 26658 1 326 . 1 1 72 72 GLY H H 1 8.418 0.020 . 1 . . . . 72 GLY H . 26658 1 327 . 1 1 72 72 GLY C C 13 174.158 0.3 . 1 . . . . 72 GLY C . 26658 1 328 . 1 1 72 72 GLY CA C 13 44.917 0.3 . 1 . . . . 72 GLY CA . 26658 1 329 . 1 1 72 72 GLY N N 15 110.017 0.3 . 1 . . . . 72 GLY N . 26658 1 330 . 1 1 73 73 ARG H H 1 8.095 0.020 . 1 . . . . 73 ARG H . 26658 1 331 . 1 1 73 73 ARG C C 13 176.350 0.3 . 1 . . . . 73 ARG C . 26658 1 332 . 1 1 73 73 ARG CA C 13 56.277 0.3 . 1 . . . . 73 ARG CA . 26658 1 333 . 1 1 73 73 ARG CB C 13 29.564 0.3 . 1 . . . . 73 ARG CB . 26658 1 334 . 1 1 73 73 ARG N N 15 119.584 0.3 . 1 . . . . 73 ARG N . 26658 1 335 . 1 1 74 74 ASP H H 1 8.561 0.020 . 1 . . . . 74 ASP H . 26658 1 336 . 1 1 74 74 ASP C C 13 175.437 0.3 . 1 . . . . 74 ASP C . 26658 1 337 . 1 1 74 74 ASP CA C 13 53.873 0.3 . 1 . . . . 74 ASP CA . 26658 1 338 . 1 1 74 74 ASP CB C 13 39.526 0.3 . 1 . . . . 74 ASP CB . 26658 1 339 . 1 1 74 74 ASP N N 15 119.208 0.3 . 1 . . . . 74 ASP N . 26658 1 340 . 1 1 75 75 VAL H H 1 7.268 0.020 . 1 . . . . 75 VAL H . 26658 1 341 . 1 1 75 75 VAL C C 13 176.895 0.3 . 1 . . . . 75 VAL C . 26658 1 342 . 1 1 75 75 VAL CA C 13 60.189 0.3 . 1 . . . . 75 VAL CA . 26658 1 343 . 1 1 75 75 VAL CB C 13 32.695 0.3 . 1 . . . . 75 VAL CB . 26658 1 344 . 1 1 75 75 VAL N N 15 116.863 0.3 . 1 . . . . 75 VAL N . 26658 1 345 . 1 1 76 76 THR H H 1 8.447 0.020 . 1 . . . . 76 THR H . 26658 1 346 . 1 1 76 76 THR C C 13 174.999 0.3 . 1 . . . . 76 THR C . 26658 1 347 . 1 1 76 76 THR CA C 13 61.087 0.3 . 1 . . . . 76 THR CA . 26658 1 348 . 1 1 76 76 THR CB C 13 69.981 0.3 . 1 . . . . 76 THR CB . 26658 1 349 . 1 1 76 76 THR N N 15 115.825 0.3 . 1 . . . . 76 THR N . 26658 1 350 . 1 1 77 77 PHE H H 1 9.246 0.020 . 1 . . . . 77 PHE H . 26658 1 351 . 1 1 77 77 PHE C C 13 176.918 0.3 . 1 . . . . 77 PHE C . 26658 1 352 . 1 1 77 77 PHE CA C 13 60.949 0.3 . 1 . . . . 77 PHE CA . 26658 1 353 . 1 1 77 77 PHE CB C 13 37.960 0.3 . 1 . . . . 77 PHE CB . 26658 1 354 . 1 1 77 77 PHE N N 15 122.953 0.3 . 1 . . . . 77 PHE N . 26658 1 355 . 1 1 78 78 GLU H H 1 8.834 0.020 . 1 . . . . 78 GLU H . 26658 1 356 . 1 1 78 78 GLU C C 13 178.127 0.3 . 1 . . . . 78 GLU C . 26658 1 357 . 1 1 78 78 GLU CA C 13 60.396 0.3 . 1 . . . . 78 GLU CA . 26658 1 358 . 1 1 78 78 GLU CB C 13 28.141 0.3 . 1 . . . . 78 GLU CB . 26658 1 359 . 1 1 78 78 GLU N N 15 116.992 0.3 . 1 . . . . 78 GLU N . 26658 1 360 . 1 1 79 79 GLU H H 1 7.399 0.020 . 1 . . . . 79 GLU H . 26658 1 361 . 1 1 79 79 GLU C C 13 178.993 0.3 . 1 . . . . 79 GLU C . 26658 1 362 . 1 1 79 79 GLU CA C 13 58.516 0.3 . 1 . . . . 79 GLU CA . 26658 1 363 . 1 1 79 79 GLU CB C 13 29.066 0.3 . 1 . . . . 79 GLU CB . 26658 1 364 . 1 1 79 79 GLU N N 15 117.983 0.3 . 1 . . . . 79 GLU N . 26658 1 365 . 1 1 80 80 TYR H H 1 8.477 0.020 . 1 . . . . 80 TYR H . 26658 1 366 . 1 1 80 80 TYR C C 13 177.831 0.3 . 1 . . . . 80 TYR C . 26658 1 367 . 1 1 80 80 TYR CA C 13 59.014 0.3 . 1 . . . . 80 TYR CA . 26658 1 368 . 1 1 80 80 TYR CB C 13 37.533 0.3 . 1 . . . . 80 TYR CB . 26658 1 369 . 1 1 80 80 TYR N N 15 123.892 0.3 . 1 . . . . 80 TYR N . 26658 1 370 . 1 1 81 81 LEU H H 1 8.045 0.020 . 1 . . . . 81 LEU H . 26658 1 371 . 1 1 81 81 LEU C C 13 179.289 0.3 . 1 . . . . 81 LEU C . 26658 1 372 . 1 1 81 81 LEU CA C 13 56.731 0.3 . 1 . . . . 81 LEU CA . 26658 1 373 . 1 1 81 81 LEU CB C 13 40.807 0.3 . 1 . . . . 81 LEU CB . 26658 1 374 . 1 1 81 81 LEU N N 15 118.556 0.3 . 1 . . . . 81 LEU N . 26658 1 375 . 1 1 82 82 VAL H H 1 8.211 0.020 . 1 . . . . 82 VAL H . 26658 1 376 . 1 1 82 82 VAL C C 13 177.216 0.3 . 1 . . . . 82 VAL C . 26658 1 377 . 1 1 82 82 VAL CA C 13 66.809 0.3 . 1 . . . . 82 VAL CA . 26658 1 378 . 1 1 82 82 VAL CB C 13 30.071 0.3 . 1 . . . . 82 VAL CB . 26658 1 379 . 1 1 82 82 VAL N N 15 120.089 0.3 . 1 . . . . 82 VAL N . 26658 1 380 . 1 1 83 83 HIS H H 1 7.960 0.020 . 1 . . . . 83 HIS H . 26658 1 381 . 1 1 83 83 HIS C C 13 177.919 0.3 . 1 . . . . 83 HIS C . 26658 1 382 . 1 1 83 83 HIS CA C 13 59.097 0.3 . 1 . . . . 83 HIS CA . 26658 1 383 . 1 1 83 83 HIS CB C 13 28.710 0.3 . 1 . . . . 83 HIS CB . 26658 1 384 . 1 1 83 83 HIS N N 15 119.202 0.3 . 1 . . . . 83 HIS N . 26658 1 385 . 1 1 84 84 ILE H H 1 7.610 0.020 . 1 . . . . 84 ILE H . 26658 1 386 . 1 1 84 84 ILE C C 13 178.199 0.3 . 1 . . . . 84 ILE C . 26658 1 387 . 1 1 84 84 ILE CA C 13 64.929 0.3 . 1 . . . . 84 ILE CA . 26658 1 388 . 1 1 84 84 ILE CB C 13 37.149 0.3 . 1 . . . . 84 ILE CB . 26658 1 389 . 1 1 84 84 ILE N N 15 119.396 0.3 . 1 . . . . 84 ILE N . 26658 1 390 . 1 1 85 85 LEU H H 1 8.406 0.020 . 1 . . . . 85 LEU H . 26658 1 391 . 1 1 85 85 LEU C C 13 180.093 0.3 . 1 . . . . 85 LEU C . 26658 1 392 . 1 1 85 85 LEU CA C 13 58.240 0.3 . 1 . . . . 85 LEU CA . 26658 1 393 . 1 1 85 85 LEU CB C 13 40.249 0.3 . 1 . . . . 85 LEU CB . 26658 1 394 . 1 1 85 85 LEU N N 15 119.304 0.3 . 1 . . . . 85 LEU N . 26658 1 395 . 1 1 86 86 LYS H H 1 9.125 0.020 . 1 . . . . 86 LYS H . 26658 1 396 . 1 1 86 86 LYS C C 13 179.194 0.3 . 1 . . . . 86 LYS C . 26658 1 397 . 1 1 86 86 LYS CA C 13 58.820 0.3 . 1 . . . . 86 LYS CA . 26658 1 398 . 1 1 86 86 LYS CB C 13 30.919 0.3 . 1 . . . . 86 LYS CB . 26658 1 399 . 1 1 86 86 LYS N N 15 120.795 0.3 . 1 . . . . 86 LYS N . 26658 1 400 . 1 1 87 87 HIS H H 1 7.703 0.020 . 1 . . . . 87 HIS H . 26658 1 401 . 1 1 87 87 HIS C C 13 178.258 0.3 . 1 . . . . 87 HIS C . 26658 1 402 . 1 1 87 87 HIS CA C 13 59.792 0.3 . 1 . . . . 87 HIS CA . 26658 1 403 . 1 1 87 87 HIS CB C 13 29.169 0.3 . 1 . . . . 87 HIS CB . 26658 1 404 . 1 1 87 87 HIS N N 15 119.293 0.3 . 1 . . . . 87 HIS N . 26658 1 405 . 1 1 96 96 ALA H H 1 8.215 0.020 . 1 . . . . 96 ALA H . 26658 1 406 . 1 1 96 96 ALA C C 13 178.744 0.3 . 1 . . . . 96 ALA C . 26658 1 407 . 1 1 96 96 ALA CA C 13 54.481 0.3 . 1 . . . . 96 ALA CA . 26658 1 408 . 1 1 96 96 ALA CB C 13 17.538 0.3 . 1 . . . . 96 ALA CB . 26658 1 409 . 1 1 96 96 ALA N N 15 123.418 0.3 . 1 . . . . 96 ALA N . 26658 1 410 . 1 1 97 97 THR H H 1 7.520 0.020 . 1 . . . . 97 THR H . 26658 1 411 . 1 1 97 97 THR C C 13 177.688 0.3 . 1 . . . . 97 THR C . 26658 1 412 . 1 1 97 97 THR CA C 13 65.289 0.3 . 1 . . . . 97 THR CA . 26658 1 413 . 1 1 97 97 THR CB C 13 67.887 0.3 . 1 . . . . 97 THR CB . 26658 1 414 . 1 1 97 97 THR N N 15 114.837 0.3 . 1 . . . . 97 THR N . 26658 1 415 . 1 1 98 98 LEU H H 1 7.770 0.020 . 1 . . . . 98 LEU H . 26658 1 416 . 1 1 98 98 LEU C C 13 179.230 0.3 . 1 . . . . 98 LEU C . 26658 1 417 . 1 1 98 98 LEU CA C 13 57.162 0.3 . 1 . . . . 98 LEU CA . 26658 1 418 . 1 1 98 98 LEU CB C 13 39.383 0.3 . 1 . . . . 98 LEU CB . 26658 1 419 . 1 1 98 98 LEU N N 15 121.170 0.3 . 1 . . . . 98 LEU N . 26658 1 420 . 1 1 99 99 LEU H H 1 7.612 0.020 . 1 . . . . 99 LEU H . 26658 1 421 . 1 1 99 99 LEU C C 13 178.211 0.3 . 1 . . . . 99 LEU C . 26658 1 422 . 1 1 99 99 LEU CA C 13 57.908 0.3 . 1 . . . . 99 LEU CA . 26658 1 423 . 1 1 99 99 LEU CB C 13 40.664 0.3 . 1 . . . . 99 LEU CB . 26658 1 424 . 1 1 99 99 LEU N N 15 122.020 0.3 . 1 . . . . 99 LEU N . 26658 1 425 . 1 1 100 100 LEU H H 1 8.104 0.020 . 1 . . . . 100 LEU H . 26658 1 426 . 1 1 100 100 LEU C C 13 177.429 0.3 . 1 . . . . 100 LEU C . 26658 1 427 . 1 1 100 100 LEU CA C 13 55.200 0.3 . 1 . . . . 100 LEU CA . 26658 1 428 . 1 1 100 100 LEU CB C 13 39.903 0.3 . 1 . . . . 100 LEU CB . 26658 1 429 . 1 1 100 100 LEU N N 15 116.198 0.3 . 1 . . . . 100 LEU N . 26658 1 430 . 1 1 101 101 SER H H 1 7.407 0.020 . 1 . . . . 101 SER H . 26658 1 431 . 1 1 101 101 SER C C 13 174.870 0.3 . 1 . . . . 101 SER C . 26658 1 432 . 1 1 101 101 SER CA C 13 59.338 0.3 . 1 . . . . 101 SER CA . 26658 1 433 . 1 1 101 101 SER CB C 13 63.793 0.3 . 1 . . . . 101 SER CB . 26658 1 434 . 1 1 101 101 SER N N 15 114.987 0.3 . 1 . . . . 101 SER N . 26658 1 435 . 1 1 102 102 ASP H H 1 8.016 0.020 . 1 . . . . 102 ASP H . 26658 1 436 . 1 1 102 102 ASP C C 13 175.581 0.3 . 1 . . . . 102 ASP C . 26658 1 437 . 1 1 102 102 ASP CA C 13 55.365 0.3 . 1 . . . . 102 ASP CA . 26658 1 438 . 1 1 102 102 ASP CB C 13 39.525 0.3 . 1 . . . . 102 ASP CB . 26658 1 439 . 1 1 102 102 ASP N N 15 119.272 0.3 . 1 . . . . 102 ASP N . 26658 1 440 . 1 1 103 103 ASP H H 1 8.145 0.020 . 1 . . . . 103 ASP H . 26658 1 441 . 1 1 103 103 ASP C C 13 175.556 0.3 . 1 . . . . 103 ASP C . 26658 1 442 . 1 1 103 103 ASP CA C 13 52.601 0.3 . 1 . . . . 103 ASP CA . 26658 1 443 . 1 1 103 103 ASP CB C 13 42.514 0.3 . 1 . . . . 103 ASP CB . 26658 1 444 . 1 1 103 103 ASP N N 15 122.192 0.3 . 1 . . . . 103 ASP N . 26658 1 445 . 1 1 105 105 TYR H H 1 8.173 0.020 . 1 . . . . 105 TYR H . 26658 1 446 . 1 1 105 105 TYR C C 13 177.441 0.3 . 1 . . . . 105 TYR C . 26658 1 447 . 1 1 105 105 TYR CA C 13 61.916 0.3 . 1 . . . . 105 TYR CA . 26658 1 448 . 1 1 105 105 TYR CB C 13 37.177 0.3 . 1 . . . . 105 TYR CB . 26658 1 449 . 1 1 105 105 TYR N N 15 121.385 0.3 . 1 . . . . 105 TYR N . 26658 1 450 . 1 1 106 106 PHE H H 1 9.286 0.020 . 1 . . . . 106 PHE H . 26658 1 451 . 1 1 106 106 PHE C C 13 176.955 0.3 . 1 . . . . 106 PHE C . 26658 1 452 . 1 1 106 106 PHE CA C 13 62.386 0.3 . 1 . . . . 106 PHE CA . 26658 1 453 . 1 1 106 106 PHE CB C 13 38.189 0.3 . 1 . . . . 106 PHE CB . 26658 1 454 . 1 1 106 106 PHE N N 15 120.583 0.3 . 1 . . . . 106 PHE N . 26658 1 455 . 1 1 107 107 LEU H H 1 8.380 0.020 . 1 . . . . 107 LEU H . 26658 1 456 . 1 1 107 107 LEU C C 13 179.218 0.3 . 1 . . . . 107 LEU C . 26658 1 457 . 1 1 107 107 LEU CA C 13 57.798 0.3 . 1 . . . . 107 LEU CA . 26658 1 458 . 1 1 107 107 LEU CB C 13 40.271 0.3 . 1 . . . . 107 LEU CB . 26658 1 459 . 1 1 107 107 LEU N N 15 118.386 0.3 . 1 . . . . 107 LEU N . 26658 1 460 . 1 1 108 108 LEU H H 1 7.867 0.020 . 1 . . . . 108 LEU H . 26658 1 461 . 1 1 108 108 LEU C C 13 180.177 0.3 . 1 . . . . 108 LEU C . 26658 1 462 . 1 1 108 108 LEU CA C 13 57.549 0.3 . 1 . . . . 108 LEU CA . 26658 1 463 . 1 1 108 108 LEU CB C 13 40.450 0.3 . 1 . . . . 108 LEU CB . 26658 1 464 . 1 1 108 108 LEU N N 15 120.719 0.3 . 1 . . . . 108 LEU N . 26658 1 465 . 1 1 109 109 ARG H H 1 8.088 0.020 . 1 . . . . 109 ARG H . 26658 1 466 . 1 1 109 109 ARG C C 13 178.294 0.3 . 1 . . . . 109 ARG C . 26658 1 467 . 1 1 109 109 ARG CA C 13 56.582 0.3 . 1 . . . . 109 ARG CA . 26658 1 468 . 1 1 109 109 ARG CB C 13 27.549 0.3 . 1 . . . . 109 ARG CB . 26658 1 469 . 1 1 109 109 ARG N N 15 120.799 0.3 . 1 . . . . 109 ARG N . 26658 1 470 . 1 1 110 110 PHE H H 1 9.036 0.020 . 1 . . . . 110 PHE H . 26658 1 471 . 1 1 110 110 PHE C C 13 176.681 0.3 . 1 . . . . 110 PHE C . 26658 1 472 . 1 1 110 110 PHE CA C 13 59.042 0.3 . 1 . . . . 110 PHE CA . 26658 1 473 . 1 1 110 110 PHE CB C 13 38.328 0.3 . 1 . . . . 110 PHE CB . 26658 1 474 . 1 1 110 110 PHE N N 15 121.182 0.3 . 1 . . . . 110 PHE N . 26658 1 475 . 1 1 111 111 ARG H H 1 8.304 0.020 . 1 . . . . 111 ARG H . 26658 1 476 . 1 1 111 111 ARG C C 13 177.630 0.3 . 1 . . . . 111 ARG C . 26658 1 477 . 1 1 111 111 ARG CA C 13 59.594 0.3 . 1 . . . . 111 ARG CA . 26658 1 478 . 1 1 111 111 ARG CB C 13 28.822 0.3 . 1 . . . . 111 ARG CB . 26658 1 479 . 1 1 111 111 ARG N N 15 118.397 0.3 . 1 . . . . 111 ARG N . 26658 1 480 . 1 1 112 112 SER H H 1 7.653 0.020 . 1 . . . . 112 SER H . 26658 1 481 . 1 1 112 112 SER C C 13 176.959 0.3 . 1 . . . . 112 SER C . 26658 1 482 . 1 1 112 112 SER CA C 13 61.004 0.3 . 1 . . . . 112 SER CA . 26658 1 483 . 1 1 112 112 SER CB C 13 62.011 0.3 . 1 . . . . 112 SER CB . 26658 1 484 . 1 1 112 112 SER N N 15 113.768 0.3 . 1 . . . . 112 SER N . 26658 1 485 . 1 1 113 113 GLU H H 1 7.832 0.020 . 1 . . . . 113 GLU H . 26658 1 486 . 1 1 113 113 GLU C C 13 179.425 0.3 . 1 . . . . 113 GLU C . 26658 1 487 . 1 1 113 113 GLU CA C 13 57.825 0.3 . 1 . . . . 113 GLU CA . 26658 1 488 . 1 1 113 113 GLU CB C 13 27.429 0.3 . 1 . . . . 113 GLU CB . 26658 1 489 . 1 1 113 113 GLU N N 15 122.198 0.3 . 1 . . . . 113 GLU N . 26658 1 490 . 1 1 114 114 LEU H H 1 8.004 0.020 . 1 . . . . 114 LEU H . 26658 1 491 . 1 1 114 114 LEU C C 13 180.142 0.3 . 1 . . . . 114 LEU C . 26658 1 492 . 1 1 114 114 LEU CA C 13 56.901 0.3 . 1 . . . . 114 LEU CA . 26658 1 493 . 1 1 114 114 LEU CB C 13 41.660 0.3 . 1 . . . . 114 LEU CB . 26658 1 494 . 1 1 114 114 LEU N N 15 118.644 0.3 . 1 . . . . 114 LEU N . 26658 1 495 . 1 1 115 115 GLU H H 1 8.434 0.020 . 1 . . . . 115 GLU H . 26658 1 496 . 1 1 115 115 GLU C C 13 176.400 0.3 . 1 . . . . 115 GLU C . 26658 1 497 . 1 1 115 115 GLU CA C 13 59.152 0.3 . 1 . . . . 115 GLU CA . 26658 1 498 . 1 1 115 115 GLU CB C 13 27.998 0.3 . 1 . . . . 115 GLU CB . 26658 1 499 . 1 1 115 115 GLU N N 15 121.625 0.3 . 1 . . . . 115 GLU N . 26658 1 500 . 1 1 116 116 HIS H H 1 7.433 0.020 . 1 . . . . 116 HIS H . 26658 1 501 . 1 1 116 116 HIS C C 13 176.007 0.3 . 1 . . . . 116 HIS C . 26658 1 502 . 1 1 116 116 HIS CA C 13 57.836 0.3 . 1 . . . . 116 HIS CA . 26658 1 503 . 1 1 116 116 HIS CB C 13 28.961 0.3 . 1 . . . . 116 HIS CB . 26658 1 504 . 1 1 116 116 HIS N N 15 114.817 0.3 . 1 . . . . 116 HIS N . 26658 1 505 . 1 1 117 117 ASP H H 1 8.272 0.020 . 1 . . . . 117 ASP H . 26658 1 506 . 1 1 117 117 ASP C C 13 176.659 0.3 . 1 . . . . 117 ASP C . 26658 1 507 . 1 1 117 117 ASP CA C 13 55.476 0.3 . 1 . . . . 117 ASP CA . 26658 1 508 . 1 1 117 117 ASP CB C 13 42.075 0.3 . 1 . . . . 117 ASP CB . 26658 1 509 . 1 1 117 117 ASP N N 15 115.273 0.3 . 1 . . . . 117 ASP N . 26658 1 510 . 1 1 118 118 VAL H H 1 8.069 0.020 . 1 . . . . 118 VAL H . 26658 1 511 . 1 1 118 118 VAL C C 13 175.210 0.3 . 1 . . . . 118 VAL C . 26658 1 512 . 1 1 118 118 VAL CA C 13 63.989 0.3 . 1 . . . . 118 VAL CA . 26658 1 513 . 1 1 118 118 VAL CB C 13 32.798 0.3 . 1 . . . . 118 VAL CB . 26658 1 514 . 1 1 118 118 VAL N N 15 119.293 0.3 . 1 . . . . 118 VAL N . 26658 1 515 . 1 1 119 119 TYR H H 1 8.360 0.020 . 1 . . . . 119 TYR H . 26658 1 516 . 1 1 119 119 TYR C C 13 179.206 0.3 . 1 . . . . 119 TYR C . 26658 1 517 . 1 1 119 119 TYR CA C 13 62.497 0.3 . 1 . . . . 119 TYR CA . 26658 1 518 . 1 1 119 119 TYR N N 15 118.453 0.3 . 1 . . . . 119 TYR N . 26658 1 519 . 1 1 121 121 ARG H H 1 7.040 0.020 . 1 . . . . 121 ARG H . 26658 1 520 . 1 1 121 121 ARG C C 13 177.238 0.3 . 1 . . . . 121 ARG C . 26658 1 521 . 1 1 121 121 ARG CA C 13 57.751 0.3 . 1 . . . . 121 ARG CA . 26658 1 522 . 1 1 121 121 ARG CB C 13 28.961 0.3 . 1 . . . . 121 ARG CB . 26658 1 523 . 1 1 121 121 ARG N N 15 115.552 0.3 . 1 . . . . 121 ARG N . 26658 1 524 . 1 1 122 122 LEU H H 1 7.635 0.020 . 1 . . . . 122 LEU H . 26658 1 525 . 1 1 122 122 LEU C C 13 178.040 0.3 . 1 . . . . 122 LEU C . 26658 1 526 . 1 1 122 122 LEU CA C 13 57.577 0.3 . 1 . . . . 122 LEU CA . 26658 1 527 . 1 1 122 122 LEU CB C 13 42.087 0.3 . 1 . . . . 122 LEU CB . 26658 1 528 . 1 1 122 122 LEU N N 15 121.208 0.3 . 1 . . . . 122 LEU N . 26658 1 529 . 1 1 123 123 ARG H H 1 8.231 0.020 . 1 . . . . 123 ARG H . 26658 1 530 . 1 1 123 123 ARG C C 13 178.152 0.3 . 1 . . . . 123 ARG C . 26658 1 531 . 1 1 123 123 ARG CA C 13 57.714 0.3 . 1 . . . . 123 ARG CA . 26658 1 532 . 1 1 123 123 ARG CB C 13 27.809 0.3 . 1 . . . . 123 ARG CB . 26658 1 533 . 1 1 123 123 ARG N N 15 117.336 0.3 . 1 . . . . 123 ARG N . 26658 1 534 . 1 1 124 124 GLU H H 1 7.566 0.020 . 1 . . . . 124 GLU H . 26658 1 535 . 1 1 124 124 GLU C C 13 178.353 0.3 . 1 . . . . 124 GLU C . 26658 1 536 . 1 1 124 124 GLU CA C 13 58.035 0.3 . 1 . . . . 124 GLU CA . 26658 1 537 . 1 1 124 124 GLU CB C 13 29.299 0.3 . 1 . . . . 124 GLU CB . 26658 1 538 . 1 1 124 124 GLU N N 15 116.853 0.3 . 1 . . . . 124 GLU N . 26658 1 539 . 1 1 125 125 GLU H H 1 8.011 0.020 . 1 . . . . 125 GLU H . 26658 1 540 . 1 1 125 125 GLU C C 13 177.749 0.3 . 1 . . . . 125 GLU C . 26658 1 541 . 1 1 125 125 GLU CA C 13 57.411 0.3 . 1 . . . . 125 GLU CA . 26658 1 542 . 1 1 125 125 GLU CB C 13 29.564 0.3 . 1 . . . . 125 GLU CB . 26658 1 543 . 1 1 125 125 GLU N N 15 114.616 0.3 . 1 . . . . 125 GLU N . 26658 1 544 . 1 1 127 127 ILE H H 1 7.242 0.020 . 1 . . . . 127 ILE H . 26658 1 545 . 1 1 127 127 ILE C C 13 175.522 0.3 . 1 . . . . 127 ILE C . 26658 1 546 . 1 1 127 127 ILE CA C 13 58.035 0.3 . 1 . . . . 127 ILE CA . 26658 1 547 . 1 1 127 127 ILE N N 15 119.855 0.3 . 1 . . . . 127 ILE N . 26658 1 548 . 1 1 128 128 THR H H 1 9.456 0.020 . 1 . . . . 128 THR H . 26658 1 549 . 1 1 128 128 THR C C 13 175.498 0.3 . 1 . . . . 128 THR C . 26658 1 550 . 1 1 128 128 THR CA C 13 61.802 0.3 . 1 . . . . 128 THR CA . 26658 1 551 . 1 1 128 128 THR CB C 13 69.625 0.3 . 1 . . . . 128 THR CB . 26658 1 552 . 1 1 128 128 THR N N 15 118.591 0.3 . 1 . . . . 128 THR N . 26658 1 553 . 1 1 129 129 LYS H H 1 7.838 0.020 . 1 . . . . 129 LYS H . 26658 1 554 . 1 1 129 129 LYS C C 13 176.221 0.3 . 1 . . . . 129 LYS C . 26658 1 555 . 1 1 129 129 LYS CA C 13 55.697 0.3 . 1 . . . . 129 LYS CA . 26658 1 556 . 1 1 129 129 LYS CB C 13 32.410 0.3 . 1 . . . . 129 LYS CB . 26658 1 557 . 1 1 129 129 LYS N N 15 121.966 0.3 . 1 . . . . 129 LYS N . 26658 1 558 . 1 1 130 130 VAL H H 1 7.915 0.020 . 1 . . . . 130 VAL H . 26658 1 559 . 1 1 130 130 VAL C C 13 174.762 0.3 . 1 . . . . 130 VAL C . 26658 1 560 . 1 1 130 130 VAL CA C 13 59.990 0.3 . 1 . . . . 130 VAL CA . 26658 1 561 . 1 1 130 130 VAL CB C 13 32.268 0.3 . 1 . . . . 130 VAL CB . 26658 1 562 . 1 1 130 130 VAL N N 15 116.742 0.3 . 1 . . . . 130 VAL N . 26658 1 563 . 1 1 131 131 ASP H H 1 8.534 0.020 . 1 . . . . 131 ASP H . 26658 1 564 . 1 1 131 131 ASP C C 13 174.490 0.3 . 1 . . . . 131 ASP C . 26658 1 565 . 1 1 131 131 ASP CA C 13 52.822 0.3 . 1 . . . . 131 ASP CA . 26658 1 566 . 1 1 131 131 ASP CB C 13 39.384 0.3 . 1 . . . . 131 ASP CB . 26658 1 567 . 1 1 131 131 ASP N N 15 123.430 0.3 . 1 . . . . 131 ASP N . 26658 1 568 . 1 1 132 132 ILE H H 1 7.364 0.020 . 1 . . . . 132 ILE H . 26658 1 569 . 1 1 132 132 ILE C C 13 173.020 0.3 . 1 . . . . 132 ILE C . 26658 1 570 . 1 1 132 132 ILE CA C 13 56.419 0.3 . 1 . . . . 132 ILE CA . 26658 1 571 . 1 1 132 132 ILE CB C 13 39.526 0.3 . 1 . . . . 132 ILE CB . 26658 1 572 . 1 1 132 132 ILE N N 15 121.091 0.3 . 1 . . . . 132 ILE N . 26658 1 573 . 1 1 134 134 GLU H H 1 8.706 0.020 . 1 . . . . 134 GLU H . 26658 1 574 . 1 1 134 134 GLU C C 13 177.771 0.3 . 1 . . . . 134 GLU C . 26658 1 575 . 1 1 134 134 GLU CA C 13 58.876 0.3 . 1 . . . . 134 GLU CA . 26658 1 576 . 1 1 134 134 GLU CB C 13 28.492 0.3 . 1 . . . . 134 GLU CB . 26658 1 577 . 1 1 134 134 GLU N N 15 124.368 0.3 . 1 . . . . 134 GLU N . 26658 1 578 . 1 1 135 135 ASP H H 1 8.919 0.020 . 1 . . . . 135 ASP H . 26658 1 579 . 1 1 135 135 ASP C C 13 178.976 0.3 . 1 . . . . 135 ASP C . 26658 1 580 . 1 1 135 135 ASP CA C 13 56.471 0.3 . 1 . . . . 135 ASP CA . 26658 1 581 . 1 1 135 135 ASP CB C 13 38.459 0.3 . 1 . . . . 135 ASP CB . 26658 1 582 . 1 1 135 135 ASP N N 15 117.331 0.3 . 1 . . . . 135 ASP N . 26658 1 583 . 1 1 136 136 PHE H H 1 7.543 0.020 . 1 . . . . 136 PHE H . 26658 1 584 . 1 1 136 136 PHE C C 13 176.326 0.3 . 1 . . . . 136 PHE C . 26658 1 585 . 1 1 136 136 PHE CA C 13 59.843 0.3 . 1 . . . . 136 PHE CA . 26658 1 586 . 1 1 136 136 PHE CB C 13 38.326 0.3 . 1 . . . . 136 PHE CB . 26658 1 587 . 1 1 136 136 PHE N N 15 121.762 0.3 . 1 . . . . 136 PHE N . 26658 1 588 . 1 1 137 137 LEU H H 1 8.142 0.020 . 1 . . . . 137 LEU H . 26658 1 589 . 1 1 137 137 LEU C C 13 177.665 0.3 . 1 . . . . 137 LEU C . 26658 1 590 . 1 1 137 137 LEU CA C 13 57.770 0.3 . 1 . . . . 137 LEU CA . 26658 1 591 . 1 1 137 137 LEU CB C 13 41.305 0.3 . 1 . . . . 137 LEU CB . 26658 1 592 . 1 1 137 137 LEU N N 15 121.558 0.3 . 1 . . . . 137 LEU N . 26658 1 593 . 1 1 138 138 LYS H H 1 8.384 0.020 . 1 . . . . 138 LYS H . 26658 1 594 . 1 1 138 138 LYS C C 13 177.820 0.3 . 1 . . . . 138 LYS C . 26658 1 595 . 1 1 138 138 LYS CA C 13 59.263 0.3 . 1 . . . . 138 LYS CA . 26658 1 596 . 1 1 138 138 LYS CB C 13 31.201 0.3 . 1 . . . . 138 LYS CB . 26658 1 597 . 1 1 138 138 LYS N N 15 118.598 0.3 . 1 . . . . 138 LYS N . 26658 1 598 . 1 1 139 139 GLN H H 1 6.760 0.020 . 1 . . . . 139 GLN H . 26658 1 599 . 1 1 139 139 GLN C C 13 176.516 0.3 . 1 . . . . 139 GLN C . 26658 1 600 . 1 1 139 139 GLN CA C 13 57.107 0.3 . 1 . . . . 139 GLN CA . 26658 1 601 . 1 1 139 139 GLN CB C 13 23.373 0.3 . 1 . . . . 139 GLN CB . 26658 1 602 . 1 1 139 139 GLN N N 15 116.113 0.3 . 1 . . . . 139 GLN N . 26658 1 603 . 1 1 140 140 PHE H H 1 7.658 0.020 . 1 . . . . 140 PHE H . 26658 1 604 . 1 1 140 140 PHE C C 13 179.597 0.3 . 1 . . . . 140 PHE C . 26658 1 605 . 1 1 140 140 PHE CA C 13 60.009 0.3 . 1 . . . . 140 PHE CA . 26658 1 606 . 1 1 140 140 PHE CB C 13 39.028 0.3 . 1 . . . . 140 PHE CB . 26658 1 607 . 1 1 140 140 PHE N N 15 121.364 0.3 . 1 . . . . 140 PHE N . 26658 1 608 . 1 1 141 141 LEU H H 1 8.835 0.020 . 1 . . . . 141 LEU H . 26658 1 609 . 1 1 141 141 LEU C C 13 178.806 0.3 . 1 . . . . 141 LEU C . 26658 1 610 . 1 1 141 141 LEU CA C 13 57.825 0.3 . 1 . . . . 141 LEU CA . 26658 1 611 . 1 1 141 141 LEU CB C 13 40.315 0.3 . 1 . . . . 141 LEU CB . 26658 1 612 . 1 1 141 141 LEU N N 15 120.520 0.3 . 1 . . . . 141 LEU N . 26658 1 613 . 1 1 142 142 LEU H H 1 8.224 0.020 . 1 . . . . 142 LEU H . 26658 1 614 . 1 1 142 142 LEU C C 13 178.850 0.3 . 1 . . . . 142 LEU C . 26658 1 615 . 1 1 142 142 LEU CA C 13 57.609 0.3 . 1 . . . . 142 LEU CA . 26658 1 616 . 1 1 142 142 LEU CB C 13 40.095 0.3 . 1 . . . . 142 LEU CB . 26658 1 617 . 1 1 142 142 LEU N N 15 116.863 0.3 . 1 . . . . 142 LEU N . 26658 1 618 . 1 1 143 143 SER H H 1 8.368 0.020 . 1 . . . . 143 SER H . 26658 1 619 . 1 1 143 143 SER C C 13 176.424 0.3 . 1 . . . . 143 SER C . 26658 1 620 . 1 1 143 143 SER CA C 13 61.723 0.3 . 1 . . . . 143 SER CA . 26658 1 621 . 1 1 143 143 SER CB C 13 61.244 0.3 . 1 . . . . 143 SER CB . 26658 1 622 . 1 1 143 143 SER N N 15 114.267 0.3 . 1 . . . . 143 SER N . 26658 1 623 . 1 1 144 144 SER H H 1 7.699 0.020 . 1 . . . . 144 SER H . 26658 1 624 . 1 1 144 144 SER C C 13 177.676 0.3 . 1 . . . . 144 SER C . 26658 1 625 . 1 1 144 144 SER CA C 13 61.550 0.3 . 1 . . . . 144 SER CA . 26658 1 626 . 1 1 144 144 SER N N 15 115.848 0.3 . 1 . . . . 144 SER N . 26658 1 627 . 1 1 145 145 PHE H H 1 7.894 0.020 . 1 . . . . 145 PHE H . 26658 1 628 . 1 1 145 145 PHE C C 13 176.031 0.3 . 1 . . . . 145 PHE C . 26658 1 629 . 1 1 145 145 PHE CA C 13 61.946 0.3 . 1 . . . . 145 PHE CA . 26658 1 630 . 1 1 145 145 PHE CB C 13 37.981 0.3 . 1 . . . . 145 PHE CB . 26658 1 631 . 1 1 145 145 PHE N N 15 127.459 0.3 . 1 . . . . 145 PHE N . 26658 1 632 . 1 1 146 146 ILE H H 1 8.140 0.020 . 1 . . . . 146 ILE H . 26658 1 633 . 1 1 146 146 ILE C C 13 177.926 0.3 . 1 . . . . 146 ILE C . 26658 1 634 . 1 1 146 146 ILE CA C 13 65.924 0.3 . 1 . . . . 146 ILE CA . 26658 1 635 . 1 1 146 146 ILE CB C 13 37.218 0.3 . 1 . . . . 146 ILE CB . 26658 1 636 . 1 1 146 146 ILE N N 15 119.293 0.3 . 1 . . . . 146 ILE N . 26658 1 637 . 1 1 147 147 GLU H H 1 8.829 0.020 . 1 . . . . 147 GLU H . 26658 1 638 . 1 1 147 147 GLU C C 13 180.035 0.3 . 1 . . . . 147 GLU C . 26658 1 639 . 1 1 147 147 GLU CA C 13 58.074 0.3 . 1 . . . . 147 GLU CA . 26658 1 640 . 1 1 147 147 GLU CB C 13 27.500 0.3 . 1 . . . . 147 GLU CB . 26658 1 641 . 1 1 147 147 GLU N N 15 115.931 0.3 . 1 . . . . 147 GLU N . 26658 1 642 . 1 1 148 148 THR H H 1 7.760 0.020 . 1 . . . . 148 THR H . 26658 1 643 . 1 1 148 148 THR C C 13 175.185 0.3 . 1 . . . . 148 THR C . 26658 1 644 . 1 1 148 148 THR CA C 13 67.389 0.3 . 1 . . . . 148 THR CA . 26658 1 645 . 1 1 148 148 THR N N 15 120.385 0.3 . 1 . . . . 148 THR N . 26658 1 646 . 1 1 149 149 LEU H H 1 7.750 0.020 . 1 . . . . 149 LEU H . 26658 1 647 . 1 1 149 149 LEU C C 13 178.187 0.3 . 1 . . . . 149 LEU C . 26658 1 648 . 1 1 149 149 LEU CA C 13 58.019 0.3 . 1 . . . . 149 LEU CA . 26658 1 649 . 1 1 149 149 LEU CB C 13 40.757 0.3 . 1 . . . . 149 LEU CB . 26658 1 650 . 1 1 149 149 LEU N N 15 123.236 0.3 . 1 . . . . 149 LEU N . 26658 1 651 . 1 1 150 150 LYS H H 1 8.144 0.020 . 1 . . . . 150 LYS H . 26658 1 652 . 1 1 150 150 LYS C C 13 177.820 0.3 . 1 . . . . 150 LYS C . 26658 1 653 . 1 1 150 150 LYS CA C 13 60.274 0.3 . 1 . . . . 150 LYS CA . 26658 1 654 . 1 1 150 150 LYS CB C 13 32.054 0.3 . 1 . . . . 150 LYS CB . 26658 1 655 . 1 1 150 150 LYS N N 15 116.562 0.3 . 1 . . . . 150 LYS N . 26658 1 656 . 1 1 151 151 TRP H H 1 8.113 0.020 . 1 . . . . 151 TRP H . 26658 1 657 . 1 1 151 151 TRP C C 13 178.842 0.3 . 1 . . . . 151 TRP C . 26658 1 658 . 1 1 151 151 TRP CA C 13 60.921 0.3 . 1 . . . . 151 TRP CA . 26658 1 659 . 1 1 151 151 TRP CB C 13 27.365 0.3 . 1 . . . . 151 TRP CB . 26658 1 660 . 1 1 151 151 TRP N N 15 119.777 0.3 . 1 . . . . 151 TRP N . 26658 1 661 . 1 1 152 152 TRP H H 1 8.852 0.020 . 1 . . . . 152 TRP H . 26658 1 662 . 1 1 152 152 TRP C C 13 177.926 0.3 . 1 . . . . 152 TRP C . 26658 1 663 . 1 1 152 152 TRP CA C 13 59.594 0.3 . 1 . . . . 152 TRP CA . 26658 1 664 . 1 1 152 152 TRP CB C 13 28.133 0.3 . 1 . . . . 152 TRP CB . 26658 1 665 . 1 1 152 152 TRP N N 15 122.841 0.3 . 1 . . . . 152 TRP N . 26658 1 666 . 1 1 153 153 LEU H H 1 7.990 0.020 . 1 . . . . 153 LEU H . 26658 1 667 . 1 1 153 153 LEU C C 13 178.566 0.3 . 1 . . . . 153 LEU C . 26658 1 668 . 1 1 153 153 LEU CA C 13 56.050 0.3 . 1 . . . . 153 LEU CA . 26658 1 669 . 1 1 153 153 LEU CB C 13 40.807 0.3 . 1 . . . . 153 LEU CB . 26658 1 670 . 1 1 153 153 LEU N N 15 115.090 0.3 . 1 . . . . 153 LEU N . 26658 1 671 . 1 1 154 154 HIS H H 1 7.543 0.020 . 1 . . . . 154 HIS H . 26658 1 672 . 1 1 154 154 HIS C C 13 175.485 0.3 . 1 . . . . 154 HIS C . 26658 1 673 . 1 1 154 154 HIS CA C 13 56.475 0.3 . 1 . . . . 154 HIS CA . 26658 1 674 . 1 1 154 154 HIS CB C 13 29.235 0.3 . 1 . . . . 154 HIS CB . 26658 1 675 . 1 1 154 154 HIS N N 15 115.739 0.3 . 1 . . . . 154 HIS N . 26658 1 676 . 1 1 155 155 GLN H H 1 7.360 0.020 . 1 . . . . 155 GLN H . 26658 1 677 . 1 1 155 155 GLN C C 13 175.818 0.3 . 1 . . . . 155 GLN C . 26658 1 678 . 1 1 155 155 GLN CA C 13 54.690 0.3 . 1 . . . . 155 GLN CA . 26658 1 679 . 1 1 155 155 GLN CB C 13 27.572 0.3 . 1 . . . . 155 GLN CB . 26658 1 680 . 1 1 155 155 GLN N N 15 119.816 0.3 . 1 . . . . 155 GLN N . 26658 1 681 . 1 1 156 156 ARG H H 1 8.108 0.020 . 1 . . . . 156 ARG H . 26658 1 682 . 1 1 156 156 ARG C C 13 176.910 0.3 . 1 . . . . 156 ARG C . 26658 1 683 . 1 1 156 156 ARG CA C 13 57.245 0.3 . 1 . . . . 156 ARG CA . 26658 1 684 . 1 1 156 156 ARG CB C 13 28.994 0.3 . 1 . . . . 156 ARG CB . 26658 1 685 . 1 1 156 156 ARG N N 15 122.149 0.3 . 1 . . . . 156 ARG N . 26658 1 686 . 1 1 157 157 GLN H H 1 7.985 0.020 . 1 . . . . 157 GLN H . 26658 1 687 . 1 1 157 157 GLN C C 13 175.137 0.3 . 1 . . . . 157 GLN C . 26658 1 688 . 1 1 157 157 GLN CA C 13 54.232 0.3 . 1 . . . . 157 GLN CA . 26658 1 689 . 1 1 157 157 GLN CB C 13 27.287 0.3 . 1 . . . . 157 GLN CB . 26658 1 690 . 1 1 157 157 GLN N N 15 118.895 0.3 . 1 . . . . 157 GLN N . 26658 1 691 . 1 1 158 158 LYS H H 1 8.090 0.020 . 1 . . . . 158 LYS H . 26658 1 692 . 1 1 158 158 LYS C C 13 177.333 0.3 . 1 . . . . 158 LYS C . 26658 1 693 . 1 1 158 158 LYS CA C 13 56.222 0.3 . 1 . . . . 158 LYS CA . 26658 1 694 . 1 1 158 158 LYS CB C 13 32.339 0.3 . 1 . . . . 158 LYS CB . 26658 1 695 . 1 1 158 158 LYS N N 15 123.279 0.3 . 1 . . . . 158 LYS N . 26658 1 696 . 1 1 159 159 MET H H 1 8.252 0.020 . 1 . . . . 159 MET H . 26658 1 697 . 1 1 159 159 MET C C 13 176.835 0.3 . 1 . . . . 159 MET C . 26658 1 698 . 1 1 159 159 MET CA C 13 55.172 0.3 . 1 . . . . 159 MET CA . 26658 1 699 . 1 1 159 159 MET CB C 13 33.904 0.3 . 1 . . . . 159 MET CB . 26658 1 700 . 1 1 159 159 MET N N 15 120.430 0.3 . 1 . . . . 159 MET N . 26658 1 701 . 1 1 160 160 THR H H 1 9.081 0.020 . 1 . . . . 160 THR H . 26658 1 702 . 1 1 160 160 THR C C 13 175.485 0.3 . 1 . . . . 160 THR C . 26658 1 703 . 1 1 160 160 THR CA C 13 61.115 0.3 . 1 . . . . 160 THR CA . 26658 1 704 . 1 1 160 160 THR CB C 13 70.038 0.3 . 1 . . . . 160 THR CB . 26658 1 705 . 1 1 160 160 THR N N 15 115.178 0.3 . 1 . . . . 160 THR N . 26658 1 706 . 1 1 161 161 VAL H H 1 8.953 0.020 . 1 . . . . 161 VAL H . 26658 1 707 . 1 1 161 161 VAL C C 13 176.551 0.3 . 1 . . . . 161 VAL C . 26658 1 708 . 1 1 161 161 VAL CA C 13 65.040 0.3 . 1 . . . . 161 VAL CA . 26658 1 709 . 1 1 161 161 VAL CB C 13 30.335 0.3 . 1 . . . . 161 VAL CB . 26658 1 710 . 1 1 161 161 VAL N N 15 119.678 0.3 . 1 . . . . 161 VAL N . 26658 1 711 . 1 1 162 162 GLU H H 1 8.698 0.020 . 1 . . . . 162 GLU H . 26658 1 712 . 1 1 162 162 GLU C C 13 179.401 0.3 . 1 . . . . 162 GLU C . 26658 1 713 . 1 1 162 162 GLU CA C 13 60.229 0.3 . 1 . . . . 162 GLU CA . 26658 1 714 . 1 1 162 162 GLU CB C 13 27.358 0.3 . 1 . . . . 162 GLU CB . 26658 1 715 . 1 1 162 162 GLU N N 15 117.335 0.3 . 1 . . . . 162 GLU N . 26658 1 716 . 1 1 163 163 ASP H H 1 7.553 0.020 . 1 . . . . 163 ASP H . 26658 1 717 . 1 1 163 163 ASP C C 13 175.522 0.3 . 1 . . . . 163 ASP C . 26658 1 718 . 1 1 163 163 ASP CA C 13 56.277 0.3 . 1 . . . . 163 ASP CA . 26658 1 719 . 1 1 163 163 ASP CB C 13 38.387 0.3 . 1 . . . . 163 ASP CB . 26658 1 720 . 1 1 163 163 ASP N N 15 121.622 0.3 . 1 . . . . 163 ASP N . 26658 1 721 . 1 1 164 164 LEU H H 1 7.988 0.020 . 1 . . . . 164 LEU H . 26658 1 722 . 1 1 164 164 LEU C C 13 178.661 0.3 . 1 . . . . 164 LEU C . 26658 1 723 . 1 1 164 164 LEU CA C 13 57.687 0.3 . 1 . . . . 164 LEU CA . 26658 1 724 . 1 1 164 164 LEU CB C 13 40.522 0.3 . 1 . . . . 164 LEU CB . 26658 1 725 . 1 1 164 164 LEU N N 15 120.982 0.3 . 1 . . . . 164 LEU N . 26658 1 726 . 1 1 165 165 LEU H H 1 7.770 0.020 . 1 . . . . 165 LEU H . 26658 1 727 . 1 1 165 165 LEU C C 13 177.676 0.3 . 1 . . . . 165 LEU C . 26658 1 728 . 1 1 165 165 LEU CA C 13 56.731 0.3 . 1 . . . . 165 LEU CA . 26658 1 729 . 1 1 165 165 LEU CB C 13 40.451 0.3 . 1 . . . . 165 LEU CB . 26658 1 730 . 1 1 165 165 LEU N N 15 115.930 0.3 . 1 . . . . 165 LEU N . 26658 1 731 . 1 1 166 166 LYS H H 1 7.452 0.020 . 1 . . . . 166 LYS H . 26658 1 732 . 1 1 166 166 LYS C C 13 180.497 0.3 . 1 . . . . 166 LYS C . 26658 1 733 . 1 1 166 166 LYS CA C 13 58.516 0.3 . 1 . . . . 166 LYS CA . 26658 1 734 . 1 1 166 166 LYS CB C 13 30.489 0.3 . 1 . . . . 166 LYS CB . 26658 1 735 . 1 1 166 166 LYS N N 15 118.786 0.3 . 1 . . . . 166 LYS N . 26658 1 736 . 1 1 167 167 TYR H H 1 8.296 0.020 . 1 . . . . 167 TYR H . 26658 1 737 . 1 1 167 167 TYR C C 13 176.694 0.3 . 1 . . . . 167 TYR C . 26658 1 738 . 1 1 167 167 TYR CA C 13 58.572 0.3 . 1 . . . . 167 TYR CA . 26658 1 739 . 1 1 167 167 TYR CB C 13 33.679 0.3 . 1 . . . . 167 TYR CB . 26658 1 740 . 1 1 167 167 TYR N N 15 121.328 0.3 . 1 . . . . 167 TYR N . 26658 1 741 . 1 1 168 168 TYR H H 1 8.340 0.020 . 1 . . . . 168 TYR H . 26658 1 742 . 1 1 168 168 TYR C C 13 176.386 0.3 . 1 . . . . 168 TYR C . 26658 1 743 . 1 1 168 168 TYR CA C 13 63.022 0.3 . 1 . . . . 168 TYR CA . 26658 1 744 . 1 1 168 168 TYR CB C 13 37.747 0.3 . 1 . . . . 168 TYR CB . 26658 1 745 . 1 1 168 168 TYR N N 15 120.334 0.3 . 1 . . . . 168 TYR N . 26658 1 746 . 1 1 169 169 LEU H H 1 8.706 0.020 . 1 . . . . 169 LEU H . 26658 1 747 . 1 1 169 169 LEU C C 13 179.585 0.3 . 1 . . . . 169 LEU C . 26658 1 748 . 1 1 169 169 LEU CA C 13 56.941 0.3 . 1 . . . . 169 LEU CA . 26658 1 749 . 1 1 169 169 LEU CB C 13 39.241 0.3 . 1 . . . . 169 LEU CB . 26658 1 750 . 1 1 169 169 LEU N N 15 116.859 0.3 . 1 . . . . 169 LEU N . 26658 1 751 . 1 1 170 170 THR H H 1 7.980 0.020 . 1 . . . . 170 THR H . 26658 1 752 . 1 1 170 170 THR C C 13 176.007 0.3 . 1 . . . . 170 THR C . 26658 1 753 . 1 1 170 170 THR CA C 13 65.716 0.3 . 1 . . . . 170 THR CA . 26658 1 754 . 1 1 170 170 THR CB C 13 67.956 0.3 . 1 . . . . 170 THR CB . 26658 1 755 . 1 1 170 170 THR N N 15 114.719 0.3 . 1 . . . . 170 THR N . 26658 1 756 . 1 1 171 171 MET H H 1 7.323 0.020 . 1 . . . . 171 MET H . 26658 1 757 . 1 1 171 171 MET C C 13 177.429 0.3 . 1 . . . . 171 MET C . 26658 1 758 . 1 1 171 171 MET CA C 13 54.520 0.3 . 1 . . . . 171 MET CA . 26658 1 759 . 1 1 171 171 MET CB C 13 29.350 0.3 . 1 . . . . 171 MET CB . 26658 1 760 . 1 1 171 171 MET N N 15 118.647 0.3 . 1 . . . . 171 MET N . 26658 1 761 . 1 1 172 172 VAL H H 1 7.223 0.020 . 1 . . . . 172 VAL H . 26658 1 762 . 1 1 172 172 VAL C C 13 175.663 0.3 . 1 . . . . 172 VAL C . 26658 1 763 . 1 1 172 172 VAL CA C 13 62.137 0.3 . 1 . . . . 172 VAL CA . 26658 1 764 . 1 1 172 172 VAL CB C 13 31.698 0.3 . 1 . . . . 172 VAL CB . 26658 1 765 . 1 1 172 172 VAL N N 15 111.147 0.3 . 1 . . . . 172 VAL N . 26658 1 766 . 1 1 173 173 GLU H H 1 7.585 0.020 . 1 . . . . 173 GLU H . 26658 1 767 . 1 1 173 173 GLU C C 13 176.113 0.3 . 1 . . . . 173 GLU C . 26658 1 768 . 1 1 173 173 GLU CA C 13 56.554 0.3 . 1 . . . . 173 GLU CA . 26658 1 769 . 1 1 173 173 GLU CB C 13 28.781 0.3 . 1 . . . . 173 GLU CB . 26658 1 770 . 1 1 173 173 GLU N N 15 119.869 0.3 . 1 . . . . 173 GLU N . 26658 1 771 . 1 1 174 174 ARG H H 1 8.575 0.020 . 1 . . . . 174 ARG H . 26658 1 772 . 1 1 174 174 ARG C C 13 179.821 0.3 . 1 . . . . 174 ARG C . 26658 1 773 . 1 1 174 174 ARG CA C 13 56.692 0.3 . 1 . . . . 174 ARG CA . 26658 1 774 . 1 1 174 174 ARG CB C 13 30.631 0.3 . 1 . . . . 174 ARG CB . 26658 1 775 . 1 1 174 174 ARG N N 15 127.927 0.3 . 1 . . . . 174 ARG N . 26658 1 stop_ save_