data_26745 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26745 _Entry.Title ; Backbone 1H, 13C, and 15N assignments for Sortase C1 (SrtC1) from Streptococcus pneumoniae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-13 _Entry.Accession_date 2016-02-13 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _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 'Backbone 1H, 13C, and 15N assignments for Sortase C1 from Streptococcus pneumoniae' _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 Alex Jacobitz . W. . . 26745 2 Robert Clubb . T. . . 26745 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . UCLA . 26745 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26745 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 26745 '15N chemical shifts' 192 26745 '1H chemical shifts' 339 26745 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 . . 2016-10-26 2016-02-13 update BMRB 'update entry citation' 26745 1 . . 2016-07-14 2016-02-13 original author 'original release' 26745 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26745 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27109553 _Citation.Full_citation . _Citation.Title ; The "Lid" in the Streptococcus pneumoniae SrtC1 Sortase Adopts a Rigid Structure that Regulates Substrate Access to the Active Site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B' _Citation.Journal_name_full . _Citation.Journal_volume 120 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8302 _Citation.Page_last 8312 _Citation.Year 2016 _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 Alex Jacobitz . W. . . 26745 1 2 Emmanuel Naziga . B. . . 26745 1 3 Yi 'Sung Wook' . . . . 26745 1 4 Scott McConnell . A. . . 26745 1 5 Robert Peterson . . . . 26745 1 6 Michael Jung . E. . . 26745 1 7 Robert Clubb . T. . . 26745 1 8 Jeff Wereszczynski . . . . 26745 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Sortase 26745 1 SrtC1 26745 1 'Streptococcus pneumoniae' 26745 1 pilin 26745 1 transpeptidase 26745 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26745 _Assembly.ID 1 _Assembly.Name 'SrtC1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 SrtC1 1 $SrtC1 A . yes native no no . . . 26745 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 2W1J . . X-ray 1.24 'Crystal structure of the protein in this study' . 26745 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Pilin assembly' 26745 1 Transpeptidation 26745 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SrtC1 _Entity.Sf_category entity _Entity.Sf_framecode SrtC1 _Entity.Entry_ID 26745 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SrtC1 _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 ; SESNQQIADFDKEKATLDEA DIDERMKLAQAFNDSLNNVV SGDPWSEEMKKKGRAEYARM LEIHERMGHVEIPVIDVDLP VYAGTAEEVLQQGAGHLEGT SLPIGGNSTHAVITAHTGLP TAKMFTDLTKLKVGDKFYVH NIKEVMAYQVDQVKVIEPTN FDDLLIVPGHDYVTLLTCTP YMINTHRLLVRGHRIPYVAE VEEEFIAANKLSH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; S,16 E,17 S,18 N,19 Q,20 Q,21 ; _Entity.Polymer_author_seq_details ; Sequence matches PDB ID 2W1J. First 15 residues in this sequence are part of a membrane anchor and were removed to generate a soluble construct. First residue, S-16, is a remnant of a cleaved purification tag. ; _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 213 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'soluble domain of SrtC1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23812.9 _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 2W1J . SrtC-1 . . . . . . . . . . . . . . 26745 1 2 yes GB EJH14048.1 . 'Sortase B' . . . . . . . . . . . . . . 26745 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Pilin Polymerization' 26745 1 transpeptidase 26745 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 16 SER . 26745 1 2 17 GLU . 26745 1 3 18 SER . 26745 1 4 19 ASN . 26745 1 5 20 GLN . 26745 1 6 21 GLN . 26745 1 7 22 ILE . 26745 1 8 23 ALA . 26745 1 9 24 ASP . 26745 1 10 25 PHE . 26745 1 11 26 ASP . 26745 1 12 27 LYS . 26745 1 13 28 GLU . 26745 1 14 29 LYS . 26745 1 15 30 ALA . 26745 1 16 31 THR . 26745 1 17 32 LEU . 26745 1 18 33 ASP . 26745 1 19 34 GLU . 26745 1 20 35 ALA . 26745 1 21 36 ASP . 26745 1 22 37 ILE . 26745 1 23 38 ASP . 26745 1 24 39 GLU . 26745 1 25 40 ARG . 26745 1 26 41 MET . 26745 1 27 42 LYS . 26745 1 28 43 LEU . 26745 1 29 44 ALA . 26745 1 30 45 GLN . 26745 1 31 46 ALA . 26745 1 32 47 PHE . 26745 1 33 48 ASN . 26745 1 34 49 ASP . 26745 1 35 50 SER . 26745 1 36 51 LEU . 26745 1 37 52 ASN . 26745 1 38 53 ASN . 26745 1 39 54 VAL . 26745 1 40 55 VAL . 26745 1 41 56 SER . 26745 1 42 57 GLY . 26745 1 43 58 ASP . 26745 1 44 59 PRO . 26745 1 45 60 TRP . 26745 1 46 61 SER . 26745 1 47 62 GLU . 26745 1 48 63 GLU . 26745 1 49 64 MET . 26745 1 50 65 LYS . 26745 1 51 66 LYS . 26745 1 52 67 LYS . 26745 1 53 68 GLY . 26745 1 54 69 ARG . 26745 1 55 70 ALA . 26745 1 56 71 GLU . 26745 1 57 72 TYR . 26745 1 58 73 ALA . 26745 1 59 74 ARG . 26745 1 60 75 MET . 26745 1 61 76 LEU . 26745 1 62 77 GLU . 26745 1 63 78 ILE . 26745 1 64 79 HIS . 26745 1 65 80 GLU . 26745 1 66 81 ARG . 26745 1 67 82 MET . 26745 1 68 83 GLY . 26745 1 69 84 HIS . 26745 1 70 85 VAL . 26745 1 71 86 GLU . 26745 1 72 87 ILE . 26745 1 73 88 PRO . 26745 1 74 89 VAL . 26745 1 75 90 ILE . 26745 1 76 91 ASP . 26745 1 77 92 VAL . 26745 1 78 93 ASP . 26745 1 79 94 LEU . 26745 1 80 95 PRO . 26745 1 81 96 VAL . 26745 1 82 97 TYR . 26745 1 83 98 ALA . 26745 1 84 99 GLY . 26745 1 85 100 THR . 26745 1 86 101 ALA . 26745 1 87 102 GLU . 26745 1 88 103 GLU . 26745 1 89 104 VAL . 26745 1 90 105 LEU . 26745 1 91 106 GLN . 26745 1 92 107 GLN . 26745 1 93 108 GLY . 26745 1 94 109 ALA . 26745 1 95 110 GLY . 26745 1 96 111 HIS . 26745 1 97 112 LEU . 26745 1 98 113 GLU . 26745 1 99 114 GLY . 26745 1 100 115 THR . 26745 1 101 116 SER . 26745 1 102 117 LEU . 26745 1 103 118 PRO . 26745 1 104 119 ILE . 26745 1 105 120 GLY . 26745 1 106 121 GLY . 26745 1 107 122 ASN . 26745 1 108 123 SER . 26745 1 109 124 THR . 26745 1 110 125 HIS . 26745 1 111 126 ALA . 26745 1 112 127 VAL . 26745 1 113 128 ILE . 26745 1 114 129 THR . 26745 1 115 130 ALA . 26745 1 116 131 HIS . 26745 1 117 132 THR . 26745 1 118 133 GLY . 26745 1 119 134 LEU . 26745 1 120 135 PRO . 26745 1 121 136 THR . 26745 1 122 137 ALA . 26745 1 123 138 LYS . 26745 1 124 139 MET . 26745 1 125 140 PHE . 26745 1 126 141 THR . 26745 1 127 142 ASP . 26745 1 128 143 LEU . 26745 1 129 144 THR . 26745 1 130 145 LYS . 26745 1 131 146 LEU . 26745 1 132 147 LYS . 26745 1 133 148 VAL . 26745 1 134 149 GLY . 26745 1 135 150 ASP . 26745 1 136 151 LYS . 26745 1 137 152 PHE . 26745 1 138 153 TYR . 26745 1 139 154 VAL . 26745 1 140 155 HIS . 26745 1 141 156 ASN . 26745 1 142 157 ILE . 26745 1 143 158 LYS . 26745 1 144 159 GLU . 26745 1 145 160 VAL . 26745 1 146 161 MET . 26745 1 147 162 ALA . 26745 1 148 163 TYR . 26745 1 149 164 GLN . 26745 1 150 165 VAL . 26745 1 151 166 ASP . 26745 1 152 167 GLN . 26745 1 153 168 VAL . 26745 1 154 169 LYS . 26745 1 155 170 VAL . 26745 1 156 171 ILE . 26745 1 157 172 GLU . 26745 1 158 173 PRO . 26745 1 159 174 THR . 26745 1 160 175 ASN . 26745 1 161 176 PHE . 26745 1 162 177 ASP . 26745 1 163 178 ASP . 26745 1 164 179 LEU . 26745 1 165 180 LEU . 26745 1 166 181 ILE . 26745 1 167 182 VAL . 26745 1 168 183 PRO . 26745 1 169 184 GLY . 26745 1 170 185 HIS . 26745 1 171 186 ASP . 26745 1 172 187 TYR . 26745 1 173 188 VAL . 26745 1 174 189 THR . 26745 1 175 190 LEU . 26745 1 176 191 LEU . 26745 1 177 192 THR . 26745 1 178 193 CYS . 26745 1 179 194 THR . 26745 1 180 195 PRO . 26745 1 181 196 TYR . 26745 1 182 197 MET . 26745 1 183 198 ILE . 26745 1 184 199 ASN . 26745 1 185 200 THR . 26745 1 186 201 HIS . 26745 1 187 202 ARG . 26745 1 188 203 LEU . 26745 1 189 204 LEU . 26745 1 190 205 VAL . 26745 1 191 206 ARG . 26745 1 192 207 GLY . 26745 1 193 208 HIS . 26745 1 194 209 ARG . 26745 1 195 210 ILE . 26745 1 196 211 PRO . 26745 1 197 212 TYR . 26745 1 198 213 VAL . 26745 1 199 214 ALA . 26745 1 200 215 GLU . 26745 1 201 216 VAL . 26745 1 202 217 GLU . 26745 1 203 218 GLU . 26745 1 204 219 GLU . 26745 1 205 220 PHE . 26745 1 206 221 ILE . 26745 1 207 222 ALA . 26745 1 208 223 ALA . 26745 1 209 224 ASN . 26745 1 210 225 LYS . 26745 1 211 226 LEU . 26745 1 212 227 SER . 26745 1 213 228 HIS . 26745 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 . SER 1 1 26745 1 . GLU 2 2 26745 1 . SER 3 3 26745 1 . ASN 4 4 26745 1 . GLN 5 5 26745 1 . GLN 6 6 26745 1 . ILE 7 7 26745 1 . ALA 8 8 26745 1 . ASP 9 9 26745 1 . PHE 10 10 26745 1 . ASP 11 11 26745 1 . LYS 12 12 26745 1 . GLU 13 13 26745 1 . LYS 14 14 26745 1 . ALA 15 15 26745 1 . THR 16 16 26745 1 . LEU 17 17 26745 1 . ASP 18 18 26745 1 . GLU 19 19 26745 1 . ALA 20 20 26745 1 . ASP 21 21 26745 1 . ILE 22 22 26745 1 . ASP 23 23 26745 1 . GLU 24 24 26745 1 . ARG 25 25 26745 1 . MET 26 26 26745 1 . LYS 27 27 26745 1 . LEU 28 28 26745 1 . ALA 29 29 26745 1 . GLN 30 30 26745 1 . ALA 31 31 26745 1 . PHE 32 32 26745 1 . ASN 33 33 26745 1 . ASP 34 34 26745 1 . SER 35 35 26745 1 . LEU 36 36 26745 1 . ASN 37 37 26745 1 . ASN 38 38 26745 1 . VAL 39 39 26745 1 . VAL 40 40 26745 1 . SER 41 41 26745 1 . GLY 42 42 26745 1 . ASP 43 43 26745 1 . PRO 44 44 26745 1 . TRP 45 45 26745 1 . SER 46 46 26745 1 . GLU 47 47 26745 1 . GLU 48 48 26745 1 . MET 49 49 26745 1 . LYS 50 50 26745 1 . LYS 51 51 26745 1 . LYS 52 52 26745 1 . GLY 53 53 26745 1 . ARG 54 54 26745 1 . ALA 55 55 26745 1 . GLU 56 56 26745 1 . TYR 57 57 26745 1 . ALA 58 58 26745 1 . ARG 59 59 26745 1 . MET 60 60 26745 1 . LEU 61 61 26745 1 . GLU 62 62 26745 1 . ILE 63 63 26745 1 . HIS 64 64 26745 1 . GLU 65 65 26745 1 . ARG 66 66 26745 1 . MET 67 67 26745 1 . GLY 68 68 26745 1 . HIS 69 69 26745 1 . VAL 70 70 26745 1 . GLU 71 71 26745 1 . ILE 72 72 26745 1 . PRO 73 73 26745 1 . VAL 74 74 26745 1 . ILE 75 75 26745 1 . ASP 76 76 26745 1 . VAL 77 77 26745 1 . ASP 78 78 26745 1 . LEU 79 79 26745 1 . PRO 80 80 26745 1 . VAL 81 81 26745 1 . TYR 82 82 26745 1 . ALA 83 83 26745 1 . GLY 84 84 26745 1 . THR 85 85 26745 1 . ALA 86 86 26745 1 . GLU 87 87 26745 1 . GLU 88 88 26745 1 . VAL 89 89 26745 1 . LEU 90 90 26745 1 . GLN 91 91 26745 1 . GLN 92 92 26745 1 . GLY 93 93 26745 1 . ALA 94 94 26745 1 . GLY 95 95 26745 1 . HIS 96 96 26745 1 . LEU 97 97 26745 1 . GLU 98 98 26745 1 . GLY 99 99 26745 1 . THR 100 100 26745 1 . SER 101 101 26745 1 . LEU 102 102 26745 1 . PRO 103 103 26745 1 . ILE 104 104 26745 1 . GLY 105 105 26745 1 . GLY 106 106 26745 1 . ASN 107 107 26745 1 . SER 108 108 26745 1 . THR 109 109 26745 1 . HIS 110 110 26745 1 . ALA 111 111 26745 1 . VAL 112 112 26745 1 . ILE 113 113 26745 1 . THR 114 114 26745 1 . ALA 115 115 26745 1 . HIS 116 116 26745 1 . THR 117 117 26745 1 . GLY 118 118 26745 1 . LEU 119 119 26745 1 . PRO 120 120 26745 1 . THR 121 121 26745 1 . ALA 122 122 26745 1 . LYS 123 123 26745 1 . MET 124 124 26745 1 . PHE 125 125 26745 1 . THR 126 126 26745 1 . ASP 127 127 26745 1 . LEU 128 128 26745 1 . THR 129 129 26745 1 . LYS 130 130 26745 1 . LEU 131 131 26745 1 . LYS 132 132 26745 1 . VAL 133 133 26745 1 . GLY 134 134 26745 1 . ASP 135 135 26745 1 . LYS 136 136 26745 1 . PHE 137 137 26745 1 . TYR 138 138 26745 1 . VAL 139 139 26745 1 . HIS 140 140 26745 1 . ASN 141 141 26745 1 . ILE 142 142 26745 1 . LYS 143 143 26745 1 . GLU 144 144 26745 1 . VAL 145 145 26745 1 . MET 146 146 26745 1 . ALA 147 147 26745 1 . TYR 148 148 26745 1 . GLN 149 149 26745 1 . VAL 150 150 26745 1 . ASP 151 151 26745 1 . GLN 152 152 26745 1 . VAL 153 153 26745 1 . LYS 154 154 26745 1 . VAL 155 155 26745 1 . ILE 156 156 26745 1 . GLU 157 157 26745 1 . PRO 158 158 26745 1 . THR 159 159 26745 1 . ASN 160 160 26745 1 . PHE 161 161 26745 1 . ASP 162 162 26745 1 . ASP 163 163 26745 1 . LEU 164 164 26745 1 . LEU 165 165 26745 1 . ILE 166 166 26745 1 . VAL 167 167 26745 1 . PRO 168 168 26745 1 . GLY 169 169 26745 1 . HIS 170 170 26745 1 . ASP 171 171 26745 1 . TYR 172 172 26745 1 . VAL 173 173 26745 1 . THR 174 174 26745 1 . LEU 175 175 26745 1 . LEU 176 176 26745 1 . THR 177 177 26745 1 . CYS 178 178 26745 1 . THR 179 179 26745 1 . PRO 180 180 26745 1 . TYR 181 181 26745 1 . MET 182 182 26745 1 . ILE 183 183 26745 1 . ASN 184 184 26745 1 . THR 185 185 26745 1 . HIS 186 186 26745 1 . ARG 187 187 26745 1 . LEU 188 188 26745 1 . LEU 189 189 26745 1 . VAL 190 190 26745 1 . ARG 191 191 26745 1 . GLY 192 192 26745 1 . HIS 193 193 26745 1 . ARG 194 194 26745 1 . ILE 195 195 26745 1 . PRO 196 196 26745 1 . TYR 197 197 26745 1 . VAL 198 198 26745 1 . ALA 199 199 26745 1 . GLU 200 200 26745 1 . VAL 201 201 26745 1 . GLU 202 202 26745 1 . GLU 203 203 26745 1 . GLU 204 204 26745 1 . PHE 205 205 26745 1 . ILE 206 206 26745 1 . ALA 207 207 26745 1 . ALA 208 208 26745 1 . ASN 209 209 26745 1 . LYS 210 210 26745 1 . LEU 211 211 26745 1 . SER 212 212 26745 1 . HIS 213 213 26745 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 26745 _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 $SrtC1 . 170187 organism . 'Streptococcus pneumoniae' fermicutes . . Bacteria . Streptococcus pneumoniae TIGR4 . . . . . . . . . . srtC1 . 26745 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 26745 _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 $SrtC1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pESUMO . . . 26745 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26745 _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 SrtC1 '[U-99% 13C; U-99% 15N]' . . 1 $SrtC1 . . 2 . . mM . . . . 26745 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26745 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26745 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 26745 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26745 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26745 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 26745 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 26745 1 pH 6.5 . pH 26745 1 pressure 1 . atm 26745 1 temperature 310 . K 26745 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26745 _Software.ID 1 _Software.Name CARA _Software.Version 1.9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26745 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26745 1 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 26745 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 26745 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 26745 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26745 1 2 spectrometer_2 Bruker Avance . 600 . . . 26745 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 26745 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26745 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26745 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26745 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26745 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26745 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26745 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26745 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26745 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26745 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 26745 _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 . . . . . 26745 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26745 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26745 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 26745 _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' . . . 26745 1 2 '3D CBCA(CO)NH' . . . 26745 1 3 '3D C(CO)NH' . . . 26745 1 4 '3D HNCO' . . . 26745 1 5 '3D HNCA' . . . 26745 1 6 '2D 1H-1H NOESY' . . . 26745 1 7 '3D HNCACB' . . . 26745 1 8 '3D HBHA(CO)NH' . . . 26745 1 9 '3D HN(CO)CA' . . . 26745 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 8.569 0.020 . 1 . . . . 18 SER H . 26745 1 2 . 1 1 3 3 SER HA H 1 4.515 0.020 . 1 . . . . 18 SER HA . 26745 1 3 . 1 1 3 3 SER C C 13 174.643 0.300 . 1 . . . . 18 SER C . 26745 1 4 . 1 1 3 3 SER CA C 13 59.994 0.300 . 1 . . . . 18 SER CA . 26745 1 5 . 1 1 3 3 SER N N 15 117.376 0.300 . 1 . . . . 18 SER N . 26745 1 6 . 1 1 4 4 ASN H H 1 8.455 0.020 . 1 . . . . 19 ASN H . 26745 1 7 . 1 1 4 4 ASN C C 13 176.496 0.300 . 1 . . . . 19 ASN C . 26745 1 8 . 1 1 4 4 ASN CA C 13 54.691 0.300 . 1 . . . . 19 ASN CA . 26745 1 9 . 1 1 4 4 ASN N N 15 121.010 0.300 . 1 . . . . 19 ASN N . 26745 1 10 . 1 1 5 5 GLN H H 1 8.627 0.020 . 1 . . . . 20 GLN H . 26745 1 11 . 1 1 5 5 GLN HA H 1 4.135 0.020 . 1 . . . . 20 GLN HA . 26745 1 12 . 1 1 5 5 GLN C C 13 177.521 0.300 . 1 . . . . 20 GLN C . 26745 1 13 . 1 1 5 5 GLN CA C 13 58.859 0.300 . 1 . . . . 20 GLN CA . 26745 1 14 . 1 1 5 5 GLN N N 15 123.064 0.300 . 1 . . . . 20 GLN N . 26745 1 15 . 1 1 6 6 GLN H H 1 8.262 0.020 . 1 . . . . 21 GLN H . 26745 1 16 . 1 1 6 6 GLN N N 15 119.280 0.300 . 1 . . . . 21 GLN N . 26745 1 17 . 1 1 7 7 ILE H H 1 7.599 0.020 . 1 . . . . 22 ILE H . 26745 1 18 . 1 1 7 7 ILE HA H 1 3.320 0.020 . 1 . . . . 22 ILE HA . 26745 1 19 . 1 1 7 7 ILE C C 13 176.344 0.300 . 1 . . . . 22 ILE C . 26745 1 20 . 1 1 7 7 ILE CA C 13 64.077 0.300 . 1 . . . . 22 ILE CA . 26745 1 21 . 1 1 7 7 ILE N N 15 119.092 0.300 . 1 . . . . 22 ILE N . 26745 1 22 . 1 1 8 8 ALA H H 1 7.800 0.020 . 1 . . . . 23 ALA H . 26745 1 23 . 1 1 8 8 ALA HA H 1 4.135 0.020 . 1 . . . . 23 ALA HA . 26745 1 24 . 1 1 8 8 ALA C C 13 179.986 0.300 . 1 . . . . 23 ALA C . 26745 1 25 . 1 1 8 8 ALA CA C 13 55.278 0.300 . 1 . . . . 23 ALA CA . 26745 1 26 . 1 1 8 8 ALA N N 15 122.218 0.300 . 1 . . . . 23 ALA N . 26745 1 27 . 1 1 9 9 ASP H H 1 7.961 0.020 . 1 . . . . 24 ASP H . 26745 1 28 . 1 1 9 9 ASP HA H 1 4.387 0.020 . 1 . . . . 24 ASP HA . 26745 1 29 . 1 1 9 9 ASP C C 13 176.671 0.300 . 1 . . . . 24 ASP C . 26745 1 30 . 1 1 9 9 ASP CA C 13 57.948 0.300 . 1 . . . . 24 ASP CA . 26745 1 31 . 1 1 9 9 ASP N N 15 117.654 0.300 . 1 . . . . 24 ASP N . 26745 1 32 . 1 1 10 10 PHE H H 1 7.635 0.020 . 1 . . . . 25 PHE H . 26745 1 33 . 1 1 10 10 PHE HA H 1 3.890 0.020 . 1 . . . . 25 PHE HA . 26745 1 34 . 1 1 10 10 PHE C C 13 176.169 0.300 . 1 . . . . 25 PHE C . 26745 1 35 . 1 1 10 10 PHE CA C 13 63.437 0.300 . 1 . . . . 25 PHE CA . 26745 1 36 . 1 1 10 10 PHE N N 15 120.969 0.300 . 1 . . . . 25 PHE N . 26745 1 37 . 1 1 11 11 ASP H H 1 8.480 0.020 . 1 . . . . 26 ASP H . 26745 1 38 . 1 1 11 11 ASP HA H 1 4.388 0.020 . 1 . . . . 26 ASP HA . 26745 1 39 . 1 1 11 11 ASP C C 13 179.091 0.300 . 1 . . . . 26 ASP C . 26745 1 40 . 1 1 11 11 ASP CA C 13 57.948 0.300 . 1 . . . . 26 ASP CA . 26745 1 41 . 1 1 11 11 ASP N N 15 118.520 0.300 . 1 . . . . 26 ASP N . 26745 1 42 . 1 1 12 12 LYS H H 1 8.367 0.020 . 1 . . . . 27 LYS H . 26745 1 43 . 1 1 12 12 LYS C C 13 178.917 0.300 . 1 . . . . 27 LYS C . 26745 1 44 . 1 1 12 12 LYS N N 15 121.291 0.300 . 1 . . . . 27 LYS N . 26745 1 45 . 1 1 13 13 GLU H H 1 8.101 0.020 . 1 . . . . 28 GLU H . 26745 1 46 . 1 1 13 13 GLU HA H 1 4.078 0.020 . 1 . . . . 28 GLU HA . 26745 1 47 . 1 1 13 13 GLU C C 13 180.335 0.300 . 1 . . . . 28 GLU C . 26745 1 48 . 1 1 13 13 GLU N N 15 119.342 0.300 . 1 . . . . 28 GLU N . 26745 1 49 . 1 1 14 14 LYS H H 1 8.630 0.020 . 1 . . . . 29 LYS H . 26745 1 50 . 1 1 14 14 LYS HA H 1 3.699 0.020 . 1 . . . . 29 LYS HA . 26745 1 51 . 1 1 14 14 LYS C C 13 177.347 0.300 . 1 . . . . 29 LYS C . 26745 1 52 . 1 1 14 14 LYS N N 15 122.031 0.300 . 1 . . . . 29 LYS N . 26745 1 53 . 1 1 15 15 ALA H H 1 6.996 0.020 . 1 . . . . 30 ALA H . 26745 1 54 . 1 1 15 15 ALA HA H 1 4.324 0.020 . 1 . . . . 30 ALA HA . 26745 1 55 . 1 1 15 15 ALA C C 13 177.892 0.300 . 1 . . . . 30 ALA C . 26745 1 56 . 1 1 15 15 ALA CA C 13 53.894 0.300 . 1 . . . . 30 ALA CA . 26745 1 57 . 1 1 15 15 ALA N N 15 119.342 0.300 . 1 . . . . 30 ALA N . 26745 1 58 . 1 1 16 16 THR H H 1 7.610 0.020 . 1 . . . . 31 THR H . 26745 1 59 . 1 1 16 16 THR HA H 1 4.450 0.020 . 1 . . . . 31 THR HA . 26745 1 60 . 1 1 16 16 THR C C 13 174.773 0.300 . 1 . . . . 31 THR C . 26745 1 61 . 1 1 16 16 THR CA C 13 61.971 0.300 . 1 . . . . 31 THR CA . 26745 1 62 . 1 1 16 16 THR N N 15 107.651 0.300 . 1 . . . . 31 THR N . 26745 1 63 . 1 1 17 17 LEU H H 1 7.072 0.020 . 1 . . . . 32 LEU H . 26745 1 64 . 1 1 17 17 LEU HA H 1 4.387 0.020 . 1 . . . . 32 LEU HA . 26745 1 65 . 1 1 17 17 LEU C C 13 176.671 0.300 . 1 . . . . 32 LEU C . 26745 1 66 . 1 1 17 17 LEU CA C 13 55.555 0.300 . 1 . . . . 32 LEU CA . 26745 1 67 . 1 1 17 17 LEU N N 15 123.031 0.300 . 1 . . . . 32 LEU N . 26745 1 68 . 1 1 18 18 ASP H H 1 9.007 0.020 . 1 . . . . 33 ASP H . 26745 1 69 . 1 1 18 18 ASP HA H 1 4.695 0.020 . 1 . . . . 33 ASP HA . 26745 1 70 . 1 1 18 18 ASP C C 13 176.867 0.300 . 1 . . . . 33 ASP C . 26745 1 71 . 1 1 18 18 ASP CA C 13 54.230 0.300 . 1 . . . . 33 ASP CA . 26745 1 72 . 1 1 18 18 ASP N N 15 123.406 0.300 . 1 . . . . 33 ASP N . 26745 1 73 . 1 1 19 19 GLU H H 1 8.882 0.020 . 1 . . . . 34 GLU H . 26745 1 74 . 1 1 19 19 GLU HA H 1 3.953 0.020 . 1 . . . . 34 GLU HA . 26745 1 75 . 1 1 19 19 GLU C C 13 177.739 0.300 . 1 . . . . 34 GLU C . 26745 1 76 . 1 1 19 19 GLU CA C 13 60.696 0.300 . 1 . . . . 34 GLU CA . 26745 1 77 . 1 1 19 19 GLU N N 15 124.969 0.300 . 1 . . . . 34 GLU N . 26745 1 78 . 1 1 20 20 ALA H H 1 8.587 0.020 . 1 . . . . 35 ALA H . 26745 1 79 . 1 1 20 20 ALA HA H 1 4.262 0.020 . 1 . . . . 35 ALA HA . 26745 1 80 . 1 1 20 20 ALA C C 13 180.007 0.300 . 1 . . . . 35 ALA C . 26745 1 81 . 1 1 20 20 ALA CA C 13 55.343 0.300 . 1 . . . . 35 ALA CA . 26745 1 82 . 1 1 20 20 ALA N N 15 120.968 0.300 . 1 . . . . 35 ALA N . 26745 1 83 . 1 1 21 21 ASP H H 1 7.400 0.020 . 1 . . . . 36 ASP H . 26745 1 84 . 1 1 21 21 ASP HA H 1 4.515 0.020 . 1 . . . . 36 ASP HA . 26745 1 85 . 1 1 21 21 ASP C C 13 178.023 0.300 . 1 . . . . 36 ASP C . 26745 1 86 . 1 1 21 21 ASP CA C 13 57.081 0.300 . 1 . . . . 36 ASP CA . 26745 1 87 . 1 1 21 21 ASP N N 15 119.968 0.300 . 1 . . . . 36 ASP N . 26745 1 88 . 1 1 22 22 ILE H H 1 7.935 0.020 . 1 . . . . 37 ILE H . 26745 1 89 . 1 1 22 22 ILE HA H 1 3.391 0.020 . 1 . . . . 37 ILE HA . 26745 1 90 . 1 1 22 22 ILE C C 13 177.369 0.300 . 1 . . . . 37 ILE C . 26745 1 91 . 1 1 22 22 ILE CA C 13 66.536 0.300 . 1 . . . . 37 ILE CA . 26745 1 92 . 1 1 22 22 ILE N N 15 118.405 0.300 . 1 . . . . 37 ILE N . 26745 1 93 . 1 1 23 23 ASP H H 1 8.382 0.020 . 1 . . . . 38 ASP H . 26745 1 94 . 1 1 23 23 ASP HA H 1 4.396 0.020 . 1 . . . . 38 ASP HA . 26745 1 95 . 1 1 23 23 ASP C C 13 178.742 0.300 . 1 . . . . 38 ASP C . 26745 1 96 . 1 1 23 23 ASP CA C 13 58.263 0.300 . 1 . . . . 38 ASP CA . 26745 1 97 . 1 1 23 23 ASP N N 15 118.530 0.300 . 1 . . . . 38 ASP N . 26745 1 98 . 1 1 24 24 GLU H H 1 7.873 0.020 . 1 . . . . 39 GLU H . 26745 1 99 . 1 1 24 24 GLU CA C 13 59.944 0.300 . 1 . . . . 39 GLU CA . 26745 1 100 . 1 1 24 24 GLU N N 15 120.043 0.300 . 1 . . . . 39 GLU N . 26745 1 101 . 1 1 25 25 ARG H H 1 8.323 0.020 . 1 . . . . 40 ARG H . 26745 1 102 . 1 1 25 25 ARG CA C 13 60.545 0.300 . 1 . . . . 40 ARG CA . 26745 1 103 . 1 1 25 25 ARG N N 15 120.780 0.300 . 1 . . . . 40 ARG N . 26745 1 104 . 1 1 26 26 MET H H 1 8.852 0.020 . 1 . . . . 41 MET H . 26745 1 105 . 1 1 26 26 MET HA H 1 4.570 0.020 . 1 . . . . 41 MET HA . 26745 1 106 . 1 1 26 26 MET C C 13 179.789 0.300 . 1 . . . . 41 MET C . 26745 1 107 . 1 1 26 26 MET CA C 13 56.525 0.300 . 1 . . . . 41 MET CA . 26745 1 108 . 1 1 26 26 MET N N 15 116.592 0.300 . 1 . . . . 41 MET N . 26745 1 109 . 1 1 27 27 LYS H H 1 8.239 0.020 . 1 . . . . 42 LYS H . 26745 1 110 . 1 1 27 27 LYS HA H 1 4.143 0.020 . 1 . . . . 42 LYS HA . 26745 1 111 . 1 1 27 27 LYS C C 13 180.465 0.300 . 1 . . . . 42 LYS C . 26745 1 112 . 1 1 27 27 LYS CA C 13 60.613 0.300 . 1 . . . . 42 LYS CA . 26745 1 113 . 1 1 27 27 LYS N N 15 122.656 0.300 . 1 . . . . 42 LYS N . 26745 1 114 . 1 1 28 28 LEU H H 1 7.789 0.020 . 1 . . . . 43 LEU H . 26745 1 115 . 1 1 28 28 LEU HA H 1 4.262 0.020 . 1 . . . . 43 LEU HA . 26745 1 116 . 1 1 28 28 LEU C C 13 180.138 0.300 . 1 . . . . 43 LEU C . 26745 1 117 . 1 1 28 28 LEU CA C 13 58.263 0.300 . 1 . . . . 43 LEU CA . 26745 1 118 . 1 1 28 28 LEU N N 15 120.843 0.300 . 1 . . . . 43 LEU N . 26745 1 119 . 1 1 29 29 ALA H H 1 8.499 0.020 . 1 . . . . 44 ALA H . 26745 1 120 . 1 1 29 29 ALA HA H 1 4.150 0.020 . 1 . . . . 44 ALA HA . 26745 1 121 . 1 1 29 29 ALA C C 13 178.241 0.300 . 1 . . . . 44 ALA C . 26745 1 122 . 1 1 29 29 ALA CA C 13 55.899 0.300 . 1 . . . . 44 ALA CA . 26745 1 123 . 1 1 29 29 ALA N N 15 125.532 0.300 . 1 . . . . 44 ALA N . 26745 1 124 . 1 1 30 30 GLN H H 1 8.958 0.020 . 1 . . . . 45 GLN H . 26745 1 125 . 1 1 30 30 GLN HA H 1 4.016 0.020 . 1 . . . . 45 GLN HA . 26745 1 126 . 1 1 30 30 GLN CA C 13 59.184 0.300 . 1 . . . . 45 GLN CA . 26745 1 127 . 1 1 30 30 GLN N N 15 120.030 0.300 . 1 . . . . 45 GLN N . 26745 1 128 . 1 1 31 31 ALA H H 1 8.043 0.020 . 1 . . . . 46 ALA H . 26745 1 129 . 1 1 31 31 ALA C C 13 180.356 0.300 . 1 . . . . 46 ALA C . 26745 1 130 . 1 1 31 31 ALA N N 15 121.468 0.300 . 1 . . . . 46 ALA N . 26745 1 131 . 1 1 32 32 PHE H H 1 7.996 0.020 . 1 . . . . 47 PHE H . 26745 1 132 . 1 1 32 32 PHE N N 15 121.058 0.300 . 1 . . . . 47 PHE N . 26745 1 133 . 1 1 33 33 ASN H H 1 8.405 0.020 . 1 . . . . 48 ASN H . 26745 1 134 . 1 1 33 33 ASN HA H 1 4.767 0.020 . 1 . . . . 48 ASN HA . 26745 1 135 . 1 1 33 33 ASN C C 13 178.437 0.300 . 1 . . . . 48 ASN C . 26745 1 136 . 1 1 33 33 ASN CA C 13 55.668 0.300 . 1 . . . . 48 ASN CA . 26745 1 137 . 1 1 33 33 ASN N N 15 121.639 0.300 . 1 . . . . 48 ASN N . 26745 1 138 . 1 1 34 34 ASP H H 1 8.911 0.020 . 1 . . . . 49 ASP H . 26745 1 139 . 1 1 34 34 ASP HA H 1 4.570 0.020 . 1 . . . . 49 ASP HA . 26745 1 140 . 1 1 34 34 ASP C C 13 177.172 0.300 . 1 . . . . 49 ASP C . 26745 1 141 . 1 1 34 34 ASP CA C 13 57.567 0.300 . 1 . . . . 49 ASP CA . 26745 1 142 . 1 1 34 34 ASP N N 15 120.843 0.300 . 1 . . . . 49 ASP N . 26745 1 143 . 1 1 35 35 SER H H 1 7.463 0.020 . 1 . . . . 50 SER H . 26745 1 144 . 1 1 35 35 SER HA H 1 4.641 0.020 . 1 . . . . 50 SER HA . 26745 1 145 . 1 1 35 35 SER C C 13 173.399 0.300 . 1 . . . . 50 SER C . 26745 1 146 . 1 1 35 35 SER N N 15 112.783 0.300 . 1 . . . . 50 SER N . 26745 1 147 . 1 1 36 36 LEU H H 1 6.906 0.020 . 1 . . . . 51 LEU H . 26745 1 148 . 1 1 36 36 LEU HA H 1 3.763 0.020 . 1 . . . . 51 LEU HA . 26745 1 149 . 1 1 36 36 LEU C C 13 176.344 0.300 . 1 . . . . 51 LEU C . 26745 1 150 . 1 1 36 36 LEU CA C 13 56.206 0.300 . 1 . . . . 51 LEU CA . 26745 1 151 . 1 1 36 36 LEU N N 15 124.969 0.300 . 1 . . . . 51 LEU N . 26745 1 152 . 1 1 37 37 ASN H H 1 8.516 0.020 . 1 . . . . 52 ASN H . 26745 1 153 . 1 1 37 37 ASN HA H 1 4.893 0.020 . 1 . . . . 52 ASN HA . 26745 1 154 . 1 1 37 37 ASN C C 13 173.748 0.300 . 1 . . . . 52 ASN C . 26745 1 155 . 1 1 37 37 ASN CA C 13 52.353 0.300 . 1 . . . . 52 ASN CA . 26745 1 156 . 1 1 37 37 ASN N N 15 126.032 0.300 . 1 . . . . 52 ASN N . 26745 1 157 . 1 1 38 38 ASN H H 1 8.692 0.020 . 1 . . . . 53 ASN H . 26745 1 158 . 1 1 38 38 ASN HA H 1 5.021 0.020 . 1 . . . . 53 ASN HA . 26745 1 159 . 1 1 38 38 ASN C C 13 171.350 0.300 . 1 . . . . 53 ASN C . 26745 1 160 . 1 1 38 38 ASN CA C 13 52.627 0.300 . 1 . . . . 53 ASN CA . 26745 1 161 . 1 1 38 38 ASN N N 15 127.345 0.300 . 1 . . . . 53 ASN N . 26745 1 162 . 1 1 39 39 VAL H H 1 7.733 0.020 . 1 . . . . 54 VAL H . 26745 1 163 . 1 1 39 39 VAL HA H 1 4.127 0.020 . 1 . . . . 54 VAL HA . 26745 1 164 . 1 1 39 39 VAL C C 13 174.097 0.300 . 1 . . . . 54 VAL C . 26745 1 165 . 1 1 39 39 VAL CA C 13 61.183 0.300 . 1 . . . . 54 VAL CA . 26745 1 166 . 1 1 39 39 VAL N N 15 125.157 0.300 . 1 . . . . 54 VAL N . 26745 1 167 . 1 1 40 40 VAL H H 1 8.247 0.020 . 1 . . . . 55 VAL H . 26745 1 168 . 1 1 40 40 VAL HA H 1 3.898 0.020 . 1 . . . . 55 VAL HA . 26745 1 169 . 1 1 40 40 VAL C C 13 176.191 0.300 . 1 . . . . 55 VAL C . 26745 1 170 . 1 1 40 40 VAL CA C 13 62.968 0.300 . 1 . . . . 55 VAL CA . 26745 1 171 . 1 1 40 40 VAL N N 15 126.532 0.300 . 1 . . . . 55 VAL N . 26745 1 172 . 1 1 41 41 SER H H 1 8.405 0.020 . 1 . . . . 56 SER H . 26745 1 173 . 1 1 41 41 SER HA H 1 4.102 0.020 . 1 . . . . 56 SER HA . 26745 1 174 . 1 1 41 41 SER CA C 13 60.586 0.300 . 1 . . . . 56 SER CA . 26745 1 175 . 1 1 41 41 SER N N 15 122.109 0.300 . 1 . . . . 56 SER N . 26745 1 176 . 1 1 42 42 GLY H H 1 6.964 0.020 . 1 . . . . 57 GLY H . 26745 1 177 . 1 1 42 42 GLY HA2 H 1 4.015 0.020 . 2 . . . . 57 GLY HA2 . 26745 1 178 . 1 1 42 42 GLY HA3 H 1 3.889 0.020 . 2 . . . . 57 GLY HA3 . 26745 1 179 . 1 1 42 42 GLY C C 13 170.128 0.300 . 1 . . . . 57 GLY C . 26745 1 180 . 1 1 42 42 GLY CA C 13 44.900 0.300 . 1 . . . . 57 GLY CA . 26745 1 181 . 1 1 42 42 GLY N N 15 106.464 0.300 . 1 . . . . 57 GLY N . 26745 1 182 . 1 1 43 43 ASP H H 1 8.516 0.020 . 1 . . . . 58 ASP H . 26745 1 183 . 1 1 43 43 ASP HA H 1 4.705 0.020 . 1 . . . . 58 ASP HA . 26745 1 184 . 1 1 43 43 ASP CA C 13 51.744 0.300 . 1 . . . . 58 ASP CA . 26745 1 185 . 1 1 43 43 ASP N N 15 119.842 0.300 . 1 . . . . 58 ASP N . 26745 1 186 . 1 1 45 45 TRP H H 1 7.402 0.020 . 1 . . . . 60 TRP H . 26745 1 187 . 1 1 45 45 TRP HA H 1 4.388 0.020 . 1 . . . . 60 TRP HA . 26745 1 188 . 1 1 45 45 TRP C C 13 175.300 0.300 . 1 . . . . 60 TRP C . 26745 1 189 . 1 1 45 45 TRP CA C 13 60.627 0.300 . 1 . . . . 60 TRP CA . 26745 1 190 . 1 1 45 45 TRP N N 15 114.095 0.300 . 1 . . . . 60 TRP N . 26745 1 191 . 1 1 46 46 SER H H 1 7.859 0.020 . 1 . . . . 61 SER H . 26745 1 192 . 1 1 46 46 SER HA H 1 4.632 0.020 . 1 . . . . 61 SER HA . 26745 1 193 . 1 1 46 46 SER C C 13 174.773 0.300 . 1 . . . . 61 SER C . 26745 1 194 . 1 1 46 46 SER CA C 13 58.326 0.300 . 1 . . . . 61 SER CA . 26745 1 195 . 1 1 46 46 SER N N 15 116.779 0.300 . 1 . . . . 61 SER N . 26745 1 196 . 1 1 47 47 GLU H H 1 8.865 0.020 . 1 . . . . 62 GLU H . 26745 1 197 . 1 1 47 47 GLU C C 13 177.870 0.300 . 1 . . . . 62 GLU C . 26745 1 198 . 1 1 47 47 GLU CA C 13 59.627 0.300 . 1 . . . . 62 GLU CA . 26745 1 199 . 1 1 47 47 GLU N N 15 123.849 0.300 . 1 . . . . 62 GLU N . 26745 1 200 . 1 1 48 48 GLU H H 1 8.674 0.020 . 1 . . . . 63 GLU H . 26745 1 201 . 1 1 48 48 GLU N N 15 117.592 0.300 . 1 . . . . 63 GLU N . 26745 1 202 . 1 1 49 49 MET H H 1 7.464 0.020 . 1 . . . . 64 MET H . 26745 1 203 . 1 1 49 49 MET HA H 1 4.387 0.020 . 1 . . . . 64 MET HA . 26745 1 204 . 1 1 49 49 MET CA C 13 56.175 0.300 . 1 . . . . 64 MET CA . 26745 1 205 . 1 1 49 49 MET N N 15 117.717 0.300 . 1 . . . . 64 MET N . 26745 1 206 . 1 1 50 50 LYS H H 1 7.993 0.020 . 1 . . . . 65 LYS H . 26745 1 207 . 1 1 50 50 LYS C C 13 177.718 0.300 . 1 . . . . 65 LYS C . 26745 1 208 . 1 1 50 50 LYS CA C 13 58.341 0.300 . 1 . . . . 65 LYS CA . 26745 1 209 . 1 1 50 50 LYS N N 15 121.093 0.300 . 1 . . . . 65 LYS N . 26745 1 210 . 1 1 51 51 LYS H H 1 7.619 0.020 . 1 . . . . 66 LYS H . 26745 1 211 . 1 1 51 51 LYS HA H 1 4.458 0.020 . 1 . . . . 66 LYS HA . 26745 1 212 . 1 1 51 51 LYS C C 13 176.169 0.300 . 1 . . . . 66 LYS C . 26745 1 213 . 1 1 51 51 LYS CA C 13 56.175 0.300 . 1 . . . . 66 LYS CA . 26745 1 214 . 1 1 51 51 LYS N N 15 117.779 0.300 . 1 . . . . 66 LYS N . 26745 1 215 . 1 1 52 52 LYS H H 1 7.496 0.020 . 1 . . . . 67 LYS H . 26745 1 216 . 1 1 52 52 LYS HA H 1 4.332 0.020 . 1 . . . . 67 LYS HA . 26745 1 217 . 1 1 52 52 LYS CA C 13 57.150 0.300 . 1 . . . . 67 LYS CA . 26745 1 218 . 1 1 52 52 LYS N N 15 121.155 0.300 . 1 . . . . 67 LYS N . 26745 1 219 . 1 1 53 53 GLY H H 1 8.198 0.020 . 1 . . . . 68 GLY H . 26745 1 220 . 1 1 53 53 GLY HA2 H 1 4.094 0.020 . 2 . . . . 68 GLY HA2 . 26745 1 221 . 1 1 53 53 GLY HA3 H 1 3.960 0.020 . 2 . . . . 68 GLY HA3 . 26745 1 222 . 1 1 53 53 GLY C C 13 173.094 0.300 . 1 . . . . 68 GLY C . 26745 1 223 . 1 1 53 53 GLY CA C 13 44.691 0.300 . 1 . . . . 68 GLY CA . 26745 1 224 . 1 1 53 53 GLY N N 15 108.589 0.300 . 1 . . . . 68 GLY N . 26745 1 225 . 1 1 54 54 ARG H H 1 8.241 0.020 . 1 . . . . 69 ARG H . 26745 1 226 . 1 1 54 54 ARG HA H 1 4.270 0.020 . 1 . . . . 69 ARG HA . 26745 1 227 . 1 1 54 54 ARG C C 13 175.886 0.300 . 1 . . . . 69 ARG C . 26745 1 228 . 1 1 54 54 ARG CA C 13 56.619 0.300 . 1 . . . . 69 ARG CA . 26745 1 229 . 1 1 54 54 ARG N N 15 121.151 0.300 . 1 . . . . 69 ARG N . 26745 1 230 . 1 1 55 55 ALA H H 1 8.680 0.020 . 1 . . . . 70 ALA H . 26745 1 231 . 1 1 55 55 ALA HA H 1 4.760 0.020 . 1 . . . . 70 ALA HA . 26745 1 232 . 1 1 55 55 ALA C C 13 178.241 0.300 . 1 . . . . 70 ALA C . 26745 1 233 . 1 1 55 55 ALA CA C 13 51.866 0.300 . 1 . . . . 70 ALA CA . 26745 1 234 . 1 1 55 55 ALA N N 15 128.845 0.300 . 1 . . . . 70 ALA N . 26745 1 235 . 1 1 56 56 GLU H H 1 8.921 0.020 . 1 . . . . 71 GLU H . 26745 1 236 . 1 1 56 56 GLU HA H 1 4.577 0.020 . 1 . . . . 71 GLU HA . 26745 1 237 . 1 1 56 56 GLU C C 13 177.020 0.300 . 1 . . . . 71 GLU C . 26745 1 238 . 1 1 56 56 GLU CA C 13 56.713 0.300 . 1 . . . . 71 GLU CA . 26745 1 239 . 1 1 56 56 GLU N N 15 120.032 0.300 . 1 . . . . 71 GLU N . 26745 1 240 . 1 1 57 57 TYR H H 1 6.900 0.020 . 1 . . . . 72 TYR H . 26745 1 241 . 1 1 57 57 TYR HA H 1 4.396 0.020 . 1 . . . . 72 TYR HA . 26745 1 242 . 1 1 57 57 TYR C C 13 173.727 0.300 . 1 . . . . 72 TYR C . 26745 1 243 . 1 1 57 57 TYR CA C 13 58.677 0.300 . 1 . . . . 72 TYR CA . 26745 1 244 . 1 1 57 57 TYR N N 15 115.341 0.300 . 1 . . . . 72 TYR N . 26745 1 245 . 1 1 58 58 ALA H H 1 7.856 0.020 . 1 . . . . 73 ALA H . 26745 1 246 . 1 1 58 58 ALA HA H 1 4.577 0.020 . 1 . . . . 73 ALA HA . 26745 1 247 . 1 1 58 58 ALA C C 13 177.914 0.300 . 1 . . . . 73 ALA C . 26745 1 248 . 1 1 58 58 ALA CA C 13 50.008 0.300 . 1 . . . . 73 ALA CA . 26745 1 249 . 1 1 58 58 ALA N N 15 123.756 0.300 . 1 . . . . 73 ALA N . 26745 1 250 . 1 1 59 59 ARG H H 1 7.043 0.020 . 1 . . . . 74 ARG H . 26745 1 251 . 1 1 59 59 ARG HA H 1 3.635 0.020 . 1 . . . . 74 ARG HA . 26745 1 252 . 1 1 59 59 ARG C C 13 177.739 0.300 . 1 . . . . 74 ARG C . 26745 1 253 . 1 1 59 59 ARG CA C 13 59.514 0.300 . 1 . . . . 74 ARG CA . 26745 1 254 . 1 1 59 59 ARG N N 15 117.967 0.300 . 1 . . . . 74 ARG N . 26745 1 255 . 1 1 60 60 MET H H 1 8.060 0.020 . 1 . . . . 75 MET H . 26745 1 256 . 1 1 60 60 MET HA H 1 4.513 0.020 . 1 . . . . 75 MET HA . 26745 1 257 . 1 1 60 60 MET C C 13 175.646 0.300 . 1 . . . . 75 MET C . 26745 1 258 . 1 1 60 60 MET N N 15 117.592 0.300 . 1 . . . . 75 MET N . 26745 1 259 . 1 1 61 61 LEU H H 1 7.880 0.020 . 1 . . . . 76 LEU H . 26745 1 260 . 1 1 61 61 LEU CA C 13 54.140 0.300 . 1 . . . . 76 LEU CA . 26745 1 261 . 1 1 61 61 LEU N N 15 120.545 0.300 . 1 . . . . 76 LEU N . 26745 1 262 . 1 1 62 62 GLU H H 1 7.093 0.020 . 1 . . . . 77 GLU H . 26745 1 263 . 1 1 62 62 GLU HA H 1 4.586 0.020 . 1 . . . . 77 GLU HA . 26745 1 264 . 1 1 62 62 GLU C C 13 177.739 0.300 . 1 . . . . 77 GLU C . 26745 1 265 . 1 1 62 62 GLU CA C 13 56.175 0.300 . 1 . . . . 77 GLU CA . 26745 1 266 . 1 1 62 62 GLU N N 15 116.154 0.300 . 1 . . . . 77 GLU N . 26745 1 267 . 1 1 63 63 ILE H H 1 8.744 0.020 . 1 . . . . 78 ILE H . 26745 1 268 . 1 1 63 63 ILE HA H 1 4.127 0.020 . 1 . . . . 78 ILE HA . 26745 1 269 . 1 1 63 63 ILE C C 13 177.172 0.300 . 1 . . . . 78 ILE C . 26745 1 270 . 1 1 63 63 ILE CA C 13 61.461 0.300 . 1 . . . . 78 ILE CA . 26745 1 271 . 1 1 63 63 ILE N N 15 118.280 0.300 . 1 . . . . 78 ILE N . 26745 1 272 . 1 1 65 65 GLU H H 1 8.370 0.020 . 1 . . . . 80 GLU H . 26745 1 273 . 1 1 65 65 GLU HA H 1 3.825 0.020 . 1 . . . . 80 GLU HA . 26745 1 274 . 1 1 65 65 GLU C C 13 174.097 0.300 . 1 . . . . 80 GLU C . 26745 1 275 . 1 1 65 65 GLU CA C 13 59.247 0.300 . 1 . . . . 80 GLU CA . 26745 1 276 . 1 1 65 65 GLU N N 15 105.901 0.300 . 1 . . . . 80 GLU N . 26745 1 277 . 1 1 66 66 ARG H H 1 7.736 0.020 . 1 . . . . 81 ARG H . 26745 1 278 . 1 1 66 66 ARG HA H 1 4.459 0.020 . 1 . . . . 81 ARG HA . 26745 1 279 . 1 1 66 66 ARG CA C 13 55.668 0.300 . 1 . . . . 81 ARG CA . 26745 1 280 . 1 1 66 66 ARG N N 15 118.342 0.300 . 1 . . . . 81 ARG N . 26745 1 281 . 1 1 67 67 MET H H 1 8.879 0.020 . 1 . . . . 82 MET H . 26745 1 282 . 1 1 67 67 MET HA H 1 4.705 0.020 . 1 . . . . 82 MET HA . 26745 1 283 . 1 1 67 67 MET C C 13 173.705 0.300 . 1 . . . . 82 MET C . 26745 1 284 . 1 1 67 67 MET N N 15 118.967 0.300 . 1 . . . . 82 MET N . 26745 1 285 . 1 1 68 68 GLY H H 1 6.657 0.020 . 1 . . . . 83 GLY H . 26745 1 286 . 1 1 68 68 GLY C C 13 172.854 0.300 . 1 . . . . 83 GLY C . 26745 1 287 . 1 1 68 68 GLY CA C 13 43.886 0.300 . 1 . . . . 83 GLY CA . 26745 1 288 . 1 1 68 68 GLY N N 15 105.338 0.300 . 1 . . . . 83 GLY N . 26745 1 289 . 1 1 69 69 HIS H H 1 8.037 0.020 . 1 . . . . 84 HIS H . 26745 1 290 . 1 1 69 69 HIS HA H 1 5.455 0.020 . 1 . . . . 84 HIS HA . 26745 1 291 . 1 1 69 69 HIS C C 13 171.677 0.300 . 1 . . . . 84 HIS C . 26745 1 292 . 1 1 69 69 HIS CA C 13 54.786 0.300 . 1 . . . . 84 HIS CA . 26745 1 293 . 1 1 69 69 HIS N N 15 114.591 0.300 . 1 . . . . 84 HIS N . 26745 1 294 . 1 1 70 70 VAL H H 1 9.244 0.020 . 1 . . . . 85 VAL H . 26745 1 295 . 1 1 70 70 VAL HA H 1 5.392 0.020 . 1 . . . . 85 VAL HA . 26745 1 296 . 1 1 70 70 VAL C C 13 170.630 0.300 . 1 . . . . 85 VAL C . 26745 1 297 . 1 1 70 70 VAL CA C 13 59.723 0.300 . 1 . . . . 85 VAL CA . 26745 1 298 . 1 1 70 70 VAL N N 15 121.593 0.300 . 1 . . . . 85 VAL N . 26745 1 299 . 1 1 71 71 GLU H H 1 9.680 0.020 . 1 . . . . 86 GLU H . 26745 1 300 . 1 1 71 71 GLU C C 13 175.646 0.300 . 1 . . . . 86 GLU C . 26745 1 301 . 1 1 71 71 GLU CA C 13 54.786 0.300 . 1 . . . . 86 GLU CA . 26745 1 302 . 1 1 71 71 GLU N N 15 130.908 0.300 . 1 . . . . 86 GLU N . 26745 1 303 . 1 1 72 72 ILE H H 1 9.677 0.020 . 1 . . . . 87 ILE H . 26745 1 304 . 1 1 72 72 ILE HA H 1 4.887 0.020 . 1 . . . . 87 ILE HA . 26745 1 305 . 1 1 72 72 ILE C C 13 174.076 0.300 . 1 . . . . 87 ILE C . 26745 1 306 . 1 1 72 72 ILE CA C 13 58.975 0.300 . 1 . . . . 87 ILE CA . 26745 1 307 . 1 1 72 72 ILE N N 15 126.594 0.300 . 1 . . . . 87 ILE N . 26745 1 308 . 1 1 74 74 VAL H H 1 8.871 0.020 . 1 . . . . 89 VAL H . 26745 1 309 . 1 1 74 74 VAL HA H 1 4.190 0.020 . 1 . . . . 89 VAL HA . 26745 1 310 . 1 1 74 74 VAL C C 13 175.995 0.300 . 1 . . . . 89 VAL C . 26745 1 311 . 1 1 74 74 VAL CA C 13 65.455 0.300 . 1 . . . . 89 VAL CA . 26745 1 312 . 1 1 74 74 VAL N N 15 114.607 0.300 . 1 . . . . 89 VAL N . 26745 1 313 . 1 1 75 75 ILE H H 1 6.955 0.020 . 1 . . . . 90 ILE H . 26745 1 314 . 1 1 75 75 ILE HA H 1 4.830 0.020 . 1 . . . . 90 ILE HA . 26745 1 315 . 1 1 75 75 ILE C C 13 174.097 0.300 . 1 . . . . 90 ILE C . 26745 1 316 . 1 1 75 75 ILE N N 15 108.964 0.300 . 1 . . . . 90 ILE N . 26745 1 317 . 1 1 76 76 ASP H H 1 8.160 0.020 . 1 . . . . 91 ASP H . 26745 1 318 . 1 1 76 76 ASP HA H 1 4.451 0.020 . 1 . . . . 91 ASP HA . 26745 1 319 . 1 1 76 76 ASP C C 13 174.752 0.300 . 1 . . . . 91 ASP C . 26745 1 320 . 1 1 76 76 ASP CA C 13 55.930 0.300 . 1 . . . . 91 ASP CA . 26745 1 321 . 1 1 76 76 ASP N N 15 121.030 0.300 . 1 . . . . 91 ASP N . 26745 1 322 . 1 1 77 77 VAL H H 1 7.300 0.020 . 1 . . . . 92 VAL H . 26745 1 323 . 1 1 77 77 VAL HA H 1 4.578 0.020 . 1 . . . . 92 VAL HA . 26745 1 324 . 1 1 77 77 VAL C C 13 175.820 0.300 . 1 . . . . 92 VAL C . 26745 1 325 . 1 1 77 77 VAL CA C 13 61.432 0.300 . 1 . . . . 92 VAL CA . 26745 1 326 . 1 1 77 77 VAL N N 15 116.529 0.300 . 1 . . . . 92 VAL N . 26745 1 327 . 1 1 78 78 ASP H H 1 8.718 0.020 . 1 . . . . 93 ASP H . 26745 1 328 . 1 1 78 78 ASP HA H 1 5.780 0.020 . 1 . . . . 93 ASP HA . 26745 1 329 . 1 1 78 78 ASP C C 13 174.621 0.300 . 1 . . . . 93 ASP C . 26745 1 330 . 1 1 78 78 ASP CA C 13 54.786 0.300 . 1 . . . . 93 ASP CA . 26745 1 331 . 1 1 78 78 ASP N N 15 129.845 0.300 . 1 . . . . 93 ASP N . 26745 1 332 . 1 1 79 79 LEU H H 1 8.821 0.020 . 1 . . . . 94 LEU H . 26745 1 333 . 1 1 79 79 LEU N N 15 124.070 0.300 . 1 . . . . 94 LEU N . 26745 1 334 . 1 1 81 81 VAL H H 1 7.642 0.020 . 1 . . . . 96 VAL H . 26745 1 335 . 1 1 81 81 VAL CA C 13 61.164 0.300 . 1 . . . . 96 VAL CA . 26745 1 336 . 1 1 81 81 VAL N N 15 120.639 0.300 . 1 . . . . 96 VAL N . 26745 1 337 . 1 1 82 82 TYR H H 1 9.078 0.020 . 1 . . . . 97 TYR H . 26745 1 338 . 1 1 82 82 TYR HA H 1 4.760 0.020 . 1 . . . . 97 TYR HA . 26745 1 339 . 1 1 82 82 TYR CA C 13 56.650 0.300 . 1 . . . . 97 TYR CA . 26745 1 340 . 1 1 82 82 TYR N N 15 127.907 0.300 . 1 . . . . 97 TYR N . 26745 1 341 . 1 1 83 83 ALA H H 1 9.174 0.020 . 1 . . . . 98 ALA H . 26745 1 342 . 1 1 83 83 ALA HA H 1 4.260 0.020 . 1 . . . . 98 ALA HA . 26745 1 343 . 1 1 83 83 ALA C C 13 177.652 0.300 . 1 . . . . 98 ALA C . 26745 1 344 . 1 1 83 83 ALA CA C 13 53.958 0.300 . 1 . . . . 98 ALA CA . 26745 1 345 . 1 1 83 83 ALA N N 15 122.093 0.300 . 1 . . . . 98 ALA N . 26745 1 346 . 1 1 84 84 GLY H H 1 8.509 0.020 . 1 . . . . 99 GLY H . 26745 1 347 . 1 1 84 84 GLY C C 13 170.473 0.300 . 1 . . . . 99 GLY C . 26745 1 348 . 1 1 84 84 GLY CA C 13 45.596 0.300 . 1 . . . . 99 GLY CA . 26745 1 349 . 1 1 84 84 GLY N N 15 113.626 0.300 . 1 . . . . 99 GLY N . 26745 1 350 . 1 1 85 85 THR H H 1 7.046 0.020 . 1 . . . . 100 THR H . 26745 1 351 . 1 1 85 85 THR C C 13 173.203 0.300 . 1 . . . . 100 THR C . 26745 1 352 . 1 1 85 85 THR CA C 13 59.184 0.300 . 1 . . . . 100 THR CA . 26745 1 353 . 1 1 85 85 THR N N 15 131.721 0.300 . 1 . . . . 100 THR N . 26745 1 354 . 1 1 86 86 ALA H H 1 7.721 0.020 . 1 . . . . 101 ALA H . 26745 1 355 . 1 1 86 86 ALA HA H 1 4.316 0.020 . 1 . . . . 101 ALA HA . 26745 1 356 . 1 1 86 86 ALA C C 13 178.219 0.300 . 1 . . . . 101 ALA C . 26745 1 357 . 1 1 86 86 ALA CA C 13 52.691 0.300 . 1 . . . . 101 ALA CA . 26745 1 358 . 1 1 86 86 ALA N N 15 122.093 0.300 . 1 . . . . 101 ALA N . 26745 1 359 . 1 1 87 87 GLU H H 1 8.800 0.020 . 1 . . . . 102 GLU H . 26745 1 360 . 1 1 87 87 GLU HA H 1 4.008 0.020 . 1 . . . . 102 GLU HA . 26745 1 361 . 1 1 87 87 GLU C C 13 178.372 0.300 . 1 . . . . 102 GLU C . 26745 1 362 . 1 1 87 87 GLU CA C 13 60.324 0.300 . 1 . . . . 102 GLU CA . 26745 1 363 . 1 1 87 87 GLU N N 15 122.718 0.300 . 1 . . . . 102 GLU N . 26745 1 364 . 1 1 88 88 GLU H H 1 9.066 0.020 . 1 . . . . 103 GLU H . 26745 1 365 . 1 1 88 88 GLU HA H 1 4.015 0.020 . 1 . . . . 103 GLU HA . 26745 1 366 . 1 1 88 88 GLU C C 13 178.764 0.300 . 1 . . . . 103 GLU C . 26745 1 367 . 1 1 88 88 GLU CA C 13 59.994 0.300 . 1 . . . . 103 GLU CA . 26745 1 368 . 1 1 88 88 GLU N N 15 115.466 0.300 . 1 . . . . 103 GLU N . 26745 1 369 . 1 1 89 89 VAL H H 1 7.064 0.020 . 1 . . . . 104 VAL H . 26745 1 370 . 1 1 89 89 VAL HA H 1 3.501 0.020 . 1 . . . . 104 VAL HA . 26745 1 371 . 1 1 89 89 VAL C C 13 177.543 0.300 . 1 . . . . 104 VAL C . 26745 1 372 . 1 1 89 89 VAL CA C 13 65.455 0.300 . 1 . . . . 104 VAL CA . 26745 1 373 . 1 1 89 89 VAL N N 15 117.217 0.300 . 1 . . . . 104 VAL N . 26745 1 374 . 1 1 90 90 LEU H H 1 7.493 0.020 . 1 . . . . 105 LEU H . 26745 1 375 . 1 1 90 90 LEU HA H 1 4.578 0.020 . 1 . . . . 105 LEU HA . 26745 1 376 . 1 1 90 90 LEU C C 13 178.590 0.300 . 1 . . . . 105 LEU C . 26745 1 377 . 1 1 90 90 LEU CA C 13 56.175 0.300 . 1 . . . . 105 LEU CA . 26745 1 378 . 1 1 90 90 LEU N N 15 118.655 0.300 . 1 . . . . 105 LEU N . 26745 1 379 . 1 1 91 91 GLN H H 1 7.412 0.020 . 1 . . . . 106 GLN H . 26745 1 380 . 1 1 91 91 GLN HA H 1 4.262 0.020 . 1 . . . . 106 GLN HA . 26745 1 381 . 1 1 91 91 GLN C C 13 176.133 0.300 . 1 . . . . 106 GLN C . 26745 1 382 . 1 1 91 91 GLN CA C 13 57.442 0.300 . 1 . . . . 106 GLN CA . 26745 1 383 . 1 1 91 91 GLN N N 15 114.460 0.300 . 1 . . . . 106 GLN N . 26745 1 384 . 1 1 92 92 GLN H H 1 7.587 0.020 . 1 . . . . 107 GLN H . 26745 1 385 . 1 1 92 92 GLN HA H 1 4.578 0.020 . 1 . . . . 107 GLN HA . 26745 1 386 . 1 1 92 92 GLN C C 13 175.723 0.300 . 1 . . . . 107 GLN C . 26745 1 387 . 1 1 92 92 GLN CA C 13 55.930 0.300 . 1 . . . . 107 GLN CA . 26745 1 388 . 1 1 92 92 GLN N N 15 114.716 0.300 . 1 . . . . 107 GLN N . 26745 1 389 . 1 1 93 93 GLY H H 1 8.043 0.020 . 1 . . . . 108 GLY H . 26745 1 390 . 1 1 93 93 GLY HA2 H 1 4.064 0.020 . 1 . . . . 108 GLY HA2 . 26745 1 391 . 1 1 93 93 GLY HA3 H 1 4.064 0.020 . 1 . . . . 108 GLY HA3 . 26745 1 392 . 1 1 93 93 GLY C C 13 168.907 0.300 . 1 . . . . 108 GLY C . 26745 1 393 . 1 1 93 93 GLY CA C 13 46.863 0.300 . 1 . . . . 108 GLY CA . 26745 1 394 . 1 1 93 93 GLY N N 15 110.340 0.300 . 1 . . . . 108 GLY N . 26745 1 395 . 1 1 94 94 ALA H H 1 8.917 0.020 . 1 . . . . 109 ALA H . 26745 1 396 . 1 1 94 94 ALA HA H 1 5.013 0.020 . 1 . . . . 109 ALA HA . 26745 1 397 . 1 1 94 94 ALA C C 13 175.668 0.300 . 1 . . . . 109 ALA C . 26745 1 398 . 1 1 94 94 ALA CA C 13 50.059 0.300 . 1 . . . . 109 ALA CA . 26745 1 399 . 1 1 94 94 ALA N N 15 124.031 0.300 . 1 . . . . 109 ALA N . 26745 1 400 . 1 1 95 95 GLY H H 1 9.224 0.020 . 1 . . . . 110 GLY H . 26745 1 401 . 1 1 95 95 GLY HA2 H 1 5.392 0.020 . 2 . . . . 110 GLY HA2 . 26745 1 402 . 1 1 95 95 GLY HA3 H 1 3.517 0.020 . 2 . . . . 110 GLY HA3 . 26745 1 403 . 1 1 95 95 GLY C C 13 173.399 0.300 . 1 . . . . 110 GLY C . 26745 1 404 . 1 1 95 95 GLY CA C 13 44.868 0.300 . 1 . . . . 110 GLY CA . 26745 1 405 . 1 1 95 95 GLY N N 15 107.777 0.300 . 1 . . . . 110 GLY N . 26745 1 406 . 1 1 96 96 HIS H H 1 8.879 0.020 . 1 . . . . 111 HIS H . 26745 1 407 . 1 1 96 96 HIS C C 13 172.026 0.300 . 1 . . . . 111 HIS C . 26745 1 408 . 1 1 96 96 HIS CA C 13 56.921 0.300 . 1 . . . . 111 HIS CA . 26745 1 409 . 1 1 96 96 HIS N N 15 126.907 0.300 . 1 . . . . 111 HIS N . 26745 1 410 . 1 1 97 97 LEU H H 1 7.379 0.020 . 1 . . . . 112 LEU H . 26745 1 411 . 1 1 97 97 LEU HA H 1 3.952 0.020 . 1 . . . . 112 LEU HA . 26745 1 412 . 1 1 97 97 LEU C C 13 174.272 0.300 . 1 . . . . 112 LEU C . 26745 1 413 . 1 1 97 97 LEU CA C 13 54.717 0.300 . 1 . . . . 112 LEU CA . 26745 1 414 . 1 1 97 97 LEU N N 15 125.657 0.300 . 1 . . . . 112 LEU N . 26745 1 415 . 1 1 98 98 GLU H H 1 8.665 0.020 . 1 . . . . 113 GLU H . 26745 1 416 . 1 1 98 98 GLU C C 13 175.842 0.300 . 1 . . . . 113 GLU C . 26745 1 417 . 1 1 98 98 GLU CA C 13 59.184 0.300 . 1 . . . . 113 GLU CA . 26745 1 418 . 1 1 98 98 GLU N N 15 101.337 0.300 . 1 . . . . 113 GLU N . 26745 1 419 . 1 1 99 99 GLY H H 1 9.130 0.020 . 1 . . . . 114 GLY H . 26745 1 420 . 1 1 99 99 GLY C C 13 172.702 0.300 . 1 . . . . 114 GLY C . 26745 1 421 . 1 1 99 99 GLY CA C 13 44.983 0.300 . 1 . . . . 114 GLY CA . 26745 1 422 . 1 1 99 99 GLY N N 15 115.404 0.300 . 1 . . . . 114 GLY N . 26745 1 423 . 1 1 100 100 THR H H 1 7.914 0.020 . 1 . . . . 115 THR H . 26745 1 424 . 1 1 100 100 THR HA H 1 4.767 0.020 . 1 . . . . 115 THR HA . 26745 1 425 . 1 1 100 100 THR C C 13 174.163 0.300 . 1 . . . . 115 THR C . 26745 1 426 . 1 1 100 100 THR CA C 13 60.894 0.300 . 1 . . . . 115 THR CA . 26745 1 427 . 1 1 100 100 THR N N 15 109.465 0.300 . 1 . . . . 115 THR N . 26745 1 428 . 1 1 101 101 SER H H 1 7.578 0.020 . 1 . . . . 116 SER H . 26745 1 429 . 1 1 101 101 SER N N 15 114.377 0.300 . 1 . . . . 116 SER N . 26745 1 430 . 1 1 102 102 LEU H H 1 10.640 0.020 . 1 . . . . 117 LEU H . 26745 1 431 . 1 1 102 102 LEU HA H 1 4.142 0.020 . 1 . . . . 117 LEU HA . 26745 1 432 . 1 1 102 102 LEU C C 13 177.892 0.300 . 1 . . . . 117 LEU C . 26745 1 433 . 1 1 102 102 LEU CA C 13 54.159 0.300 . 1 . . . . 117 LEU CA . 26745 1 434 . 1 1 102 102 LEU N N 15 124.032 0.300 . 1 . . . . 117 LEU N . 26745 1 435 . 1 1 104 104 ILE H H 1 8.692 0.020 . 1 . . . . 119 ILE H . 26745 1 436 . 1 1 104 104 ILE HA H 1 4.245 0.020 . 1 . . . . 119 ILE HA . 26745 1 437 . 1 1 104 104 ILE C C 13 176.344 0.300 . 1 . . . . 119 ILE C . 26745 1 438 . 1 1 104 104 ILE CA C 13 60.704 0.300 . 1 . . . . 119 ILE CA . 26745 1 439 . 1 1 104 104 ILE N N 15 115.716 0.300 . 1 . . . . 119 ILE N . 26745 1 440 . 1 1 105 105 GLY H H 1 8.981 0.020 . 1 . . . . 120 GLY H . 26745 1 441 . 1 1 105 105 GLY HA2 H 1 4.078 0.020 . 1 . . . . 120 GLY HA2 . 26745 1 442 . 1 1 105 105 GLY HA3 H 1 4.078 0.020 . 1 . . . . 120 GLY HA3 . 26745 1 443 . 1 1 105 105 GLY C C 13 171.328 0.300 . 1 . . . . 120 GLY C . 26745 1 444 . 1 1 105 105 GLY CA C 13 45.957 0.300 . 1 . . . . 120 GLY CA . 26745 1 445 . 1 1 105 105 GLY N N 15 114.278 0.300 . 1 . . . . 120 GLY N . 26745 1 446 . 1 1 106 106 GLY H H 1 8.060 0.020 . 1 . . . . 121 GLY H . 26745 1 447 . 1 1 106 106 GLY C C 13 174.097 0.300 . 1 . . . . 121 GLY C . 26745 1 448 . 1 1 106 106 GLY CA C 13 43.348 0.300 . 1 . . . . 121 GLY CA . 26745 1 449 . 1 1 106 106 GLY N N 15 105.526 0.300 . 1 . . . . 121 GLY N . 26745 1 450 . 1 1 107 107 ASN H H 1 8.428 0.020 . 1 . . . . 122 ASN H . 26745 1 451 . 1 1 107 107 ASN HA H 1 4.183 0.020 . 1 . . . . 122 ASN HA . 26745 1 452 . 1 1 107 107 ASN C C 13 176.344 0.300 . 1 . . . . 122 ASN C . 26745 1 453 . 1 1 107 107 ASN N N 15 118.842 0.300 . 1 . . . . 122 ASN N . 26745 1 454 . 1 1 108 108 SER H H 1 7.479 0.020 . 1 . . . . 123 SER H . 26745 1 455 . 1 1 108 108 SER CA C 13 58.455 0.300 . 1 . . . . 123 SER CA . 26745 1 456 . 1 1 108 108 SER N N 15 115.091 0.300 . 1 . . . . 123 SER N . 26745 1 457 . 1 1 109 109 THR H H 1 8.525 0.020 . 1 . . . . 124 THR H . 26745 1 458 . 1 1 109 109 THR HA H 1 4.641 0.020 . 1 . . . . 124 THR HA . 26745 1 459 . 1 1 109 109 THR C C 13 174.948 0.300 . 1 . . . . 124 THR C . 26745 1 460 . 1 1 109 109 THR N N 15 109.821 0.300 . 1 . . . . 124 THR N . 26745 1 461 . 1 1 110 110 HIS H H 1 8.954 0.020 . 1 . . . . 125 HIS H . 26745 1 462 . 1 1 110 110 HIS C C 13 173.748 0.300 . 1 . . . . 125 HIS C . 26745 1 463 . 1 1 110 110 HIS N N 15 124.100 0.300 . 1 . . . . 125 HIS N . 26745 1 464 . 1 1 111 111 ALA H H 1 8.151 0.020 . 1 . . . . 126 ALA H . 26745 1 465 . 1 1 111 111 ALA C C 13 175.488 0.300 . 1 . . . . 126 ALA C . 26745 1 466 . 1 1 111 111 ALA CA C 13 52.362 0.300 . 1 . . . . 126 ALA CA . 26745 1 467 . 1 1 111 111 ALA N N 15 101.400 0.300 . 1 . . . . 126 ALA N . 26745 1 468 . 1 1 112 112 VAL H H 1 7.736 0.020 . 1 . . . . 127 VAL H . 26745 1 469 . 1 1 112 112 VAL HA H 1 5.330 0.020 . 1 . . . . 127 VAL HA . 26745 1 470 . 1 1 112 112 VAL C C 13 173.574 0.300 . 1 . . . . 127 VAL C . 26745 1 471 . 1 1 112 112 VAL CA C 13 61.183 0.300 . 1 . . . . 127 VAL CA . 26745 1 472 . 1 1 112 112 VAL N N 15 120.593 0.300 . 1 . . . . 127 VAL N . 26745 1 473 . 1 1 113 113 ILE H H 1 8.911 0.020 . 1 . . . . 128 ILE H . 26745 1 474 . 1 1 113 113 ILE HA H 1 4.838 0.020 . 1 . . . . 128 ILE HA . 26745 1 475 . 1 1 113 113 ILE C C 13 174.272 0.300 . 1 . . . . 128 ILE C . 26745 1 476 . 1 1 113 113 ILE CA C 13 59.722 0.300 . 1 . . . . 128 ILE CA . 26745 1 477 . 1 1 113 113 ILE N N 15 127.907 0.300 . 1 . . . . 128 ILE N . 26745 1 478 . 1 1 114 114 THR H H 1 9.346 0.020 . 1 . . . . 129 THR H . 26745 1 479 . 1 1 114 114 THR HA H 1 5.882 0.020 . 1 . . . . 129 THR HA . 26745 1 480 . 1 1 114 114 THR C C 13 172.178 0.300 . 1 . . . . 129 THR C . 26745 1 481 . 1 1 114 114 THR N N 15 121.530 0.300 . 1 . . . . 129 THR N . 26745 1 482 . 1 1 115 115 ALA H H 1 8.411 0.020 . 1 . . . . 130 ALA H . 26745 1 483 . 1 1 115 115 ALA C C 13 176.671 0.300 . 1 . . . . 130 ALA C . 26745 1 484 . 1 1 115 115 ALA CA C 13 52.152 0.300 . 1 . . . . 130 ALA CA . 26745 1 485 . 1 1 115 115 ALA N N 15 120.968 0.300 . 1 . . . . 130 ALA N . 26745 1 486 . 1 1 116 116 HIS H H 1 9.662 0.020 . 1 . . . . 131 HIS H . 26745 1 487 . 1 1 116 116 HIS HA H 1 5.021 0.020 . 1 . . . . 131 HIS HA . 26745 1 488 . 1 1 116 116 HIS C C 13 175.537 0.300 . 1 . . . . 131 HIS C . 26745 1 489 . 1 1 116 116 HIS CA C 13 58.263 0.300 . 1 . . . . 131 HIS CA . 26745 1 490 . 1 1 116 116 HIS N N 15 120.218 0.300 . 1 . . . . 131 HIS N . 26745 1 491 . 1 1 117 117 THR H H 1 8.073 0.020 . 1 . . . . 132 THR H . 26745 1 492 . 1 1 117 117 THR CA C 13 63.903 0.300 . 1 . . . . 132 THR CA . 26745 1 493 . 1 1 117 117 THR N N 15 116.343 0.300 . 1 . . . . 132 THR N . 26745 1 494 . 1 1 118 118 GLY H H 1 8.524 0.020 . 1 . . . . 133 GLY H . 26745 1 495 . 1 1 118 118 GLY HA2 H 1 4.063 0.020 . 2 . . . . 133 GLY HA2 . 26745 1 496 . 1 1 118 118 GLY HA3 H 1 3.890 0.020 . 2 . . . . 133 GLY HA3 . 26745 1 497 . 1 1 118 118 GLY C C 13 174.071 0.300 . 1 . . . . 133 GLY C . 26745 1 498 . 1 1 118 118 GLY CA C 13 46.513 0.300 . 1 . . . . 133 GLY CA . 26745 1 499 . 1 1 118 118 GLY N N 15 114.074 0.300 . 1 . . . . 133 GLY N . 26745 1 500 . 1 1 119 119 LEU H H 1 8.889 0.020 . 1 . . . . 134 LEU H . 26745 1 501 . 1 1 119 119 LEU HA H 1 4.641 0.020 . 1 . . . . 134 LEU HA . 26745 1 502 . 1 1 119 119 LEU C C 13 177.194 0.300 . 1 . . . . 134 LEU C . 26745 1 503 . 1 1 119 119 LEU CA C 13 53.673 0.300 . 1 . . . . 134 LEU CA . 26745 1 504 . 1 1 119 119 LEU N N 15 124.333 0.300 . 1 . . . . 134 LEU N . 26745 1 505 . 1 1 121 121 THR H H 1 7.069 0.020 . 1 . . . . 136 THR H . 26745 1 506 . 1 1 121 121 THR HA H 1 4.341 0.020 . 1 . . . . 136 THR HA . 26745 1 507 . 1 1 121 121 THR C C 13 174.097 0.300 . 1 . . . . 136 THR C . 26745 1 508 . 1 1 121 121 THR CA C 13 61.969 0.300 . 1 . . . . 136 THR CA . 26745 1 509 . 1 1 121 121 THR N N 15 103.588 0.300 . 1 . . . . 136 THR N . 26745 1 510 . 1 1 122 122 ALA H H 1 7.192 0.020 . 1 . . . . 137 ALA H . 26745 1 511 . 1 1 122 122 ALA HA H 1 4.673 0.020 . 1 . . . . 137 ALA HA . 26745 1 512 . 1 1 122 122 ALA C C 13 175.995 0.300 . 1 . . . . 137 ALA C . 26745 1 513 . 1 1 122 122 ALA CA C 13 52.659 0.300 . 1 . . . . 137 ALA CA . 26745 1 514 . 1 1 122 122 ALA N N 15 122.906 0.300 . 1 . . . . 137 ALA N . 26745 1 515 . 1 1 123 123 LYS H H 1 8.893 0.020 . 1 . . . . 138 LYS H . 26745 1 516 . 1 1 123 123 LYS C C 13 178.742 0.300 . 1 . . . . 138 LYS C . 26745 1 517 . 1 1 123 123 LYS CA C 13 59.512 0.300 . 1 . . . . 138 LYS CA . 26745 1 518 . 1 1 123 123 LYS N N 15 122.433 0.300 . 1 . . . . 138 LYS N . 26745 1 519 . 1 1 124 124 MET H H 1 9.432 0.020 . 1 . . . . 139 MET H . 26745 1 520 . 1 1 124 124 MET N N 15 116.570 0.300 . 1 . . . . 139 MET N . 26745 1 521 . 1 1 125 125 PHE H H 1 8.711 0.020 . 1 . . . . 140 PHE H . 26745 1 522 . 1 1 125 125 PHE CA C 13 53.451 0.300 . 1 . . . . 140 PHE CA . 26745 1 523 . 1 1 125 125 PHE N N 15 122.489 0.300 . 1 . . . . 140 PHE N . 26745 1 524 . 1 1 126 126 THR H H 1 9.133 0.020 . 1 . . . . 141 THR H . 26745 1 525 . 1 1 126 126 THR HA H 1 4.515 0.020 . 1 . . . . 141 THR HA . 26745 1 526 . 1 1 126 126 THR CA C 13 68.274 0.300 . 1 . . . . 141 THR CA . 26745 1 527 . 1 1 126 126 THR N N 15 120.093 0.300 . 1 . . . . 141 THR N . 26745 1 528 . 1 1 127 127 ASP H H 1 9.614 0.020 . 1 . . . . 142 ASP H . 26745 1 529 . 1 1 127 127 ASP HA H 1 4.956 0.020 . 1 . . . . 142 ASP HA . 26745 1 530 . 1 1 127 127 ASP CA C 13 55.161 0.300 . 1 . . . . 142 ASP CA . 26745 1 531 . 1 1 127 127 ASP N N 15 118.598 0.300 . 1 . . . . 142 ASP N . 26745 1 532 . 1 1 128 128 LEU H H 1 8.198 0.020 . 1 . . . . 143 LEU H . 26745 1 533 . 1 1 128 128 LEU HA H 1 3.700 0.020 . 1 . . . . 143 LEU HA . 26745 1 534 . 1 1 128 128 LEU C C 13 178.219 0.300 . 1 . . . . 143 LEU C . 26745 1 535 . 1 1 128 128 LEU N N 15 122.906 0.300 . 1 . . . . 143 LEU N . 26745 1 536 . 1 1 129 129 THR H H 1 7.128 0.020 . 1 . . . . 144 THR H . 26745 1 537 . 1 1 129 129 THR HA H 1 3.952 0.020 . 1 . . . . 144 THR HA . 26745 1 538 . 1 1 129 129 THR C C 13 174.948 0.300 . 1 . . . . 144 THR C . 26745 1 539 . 1 1 129 129 THR N N 15 105.026 0.300 . 1 . . . . 144 THR N . 26745 1 540 . 1 1 130 130 LYS H H 1 7.935 0.020 . 1 . . . . 145 LYS H . 26745 1 541 . 1 1 130 130 LYS HA H 1 4.254 0.020 . 1 . . . . 145 LYS HA . 26745 1 542 . 1 1 130 130 LYS C C 13 177.543 0.300 . 1 . . . . 145 LYS C . 26745 1 543 . 1 1 130 130 LYS N N 15 119.592 0.300 . 1 . . . . 145 LYS N . 26745 1 544 . 1 1 131 131 LEU H H 1 7.309 0.020 . 1 . . . . 146 LEU H . 26745 1 545 . 1 1 131 131 LEU HA H 1 4.388 0.020 . 1 . . . . 146 LEU HA . 26745 1 546 . 1 1 131 131 LEU C C 13 175.646 0.300 . 1 . . . . 146 LEU C . 26745 1 547 . 1 1 131 131 LEU CA C 13 55.899 0.300 . 1 . . . . 146 LEU CA . 26745 1 548 . 1 1 131 131 LEU N N 15 119.155 0.300 . 1 . . . . 146 LEU N . 26745 1 549 . 1 1 132 132 LYS H H 1 9.265 0.020 . 1 . . . . 147 LYS H . 26745 1 550 . 1 1 132 132 LYS CA C 13 53.894 0.300 . 1 . . . . 147 LYS CA . 26745 1 551 . 1 1 132 132 LYS N N 15 120.968 0.300 . 1 . . . . 147 LYS N . 26745 1 552 . 1 1 135 135 ASP H H 1 8.230 0.020 . 1 . . . . 150 ASP H . 26745 1 553 . 1 1 135 135 ASP CA C 13 56.175 0.300 . 1 . . . . 150 ASP CA . 26745 1 554 . 1 1 135 135 ASP N N 15 122.106 0.300 . 1 . . . . 150 ASP N . 26745 1 555 . 1 1 136 136 LYS H H 1 8.303 0.020 . 1 . . . . 151 LYS H . 26745 1 556 . 1 1 136 136 LYS C C 13 175.471 0.300 . 1 . . . . 151 LYS C . 26745 1 557 . 1 1 136 136 LYS N N 15 118.092 0.300 . 1 . . . . 151 LYS N . 26745 1 558 . 1 1 137 137 PHE H H 1 8.449 0.020 . 1 . . . . 152 PHE H . 26745 1 559 . 1 1 137 137 PHE HA H 1 5.029 0.020 . 1 . . . . 152 PHE HA . 26745 1 560 . 1 1 137 137 PHE C C 13 171.328 0.300 . 1 . . . . 152 PHE C . 26745 1 561 . 1 1 137 137 PHE CA C 13 56.525 0.300 . 1 . . . . 152 PHE CA . 26745 1 562 . 1 1 137 137 PHE N N 15 113.653 0.300 . 1 . . . . 152 PHE N . 26745 1 563 . 1 1 138 138 TYR H H 1 9.542 0.020 . 1 . . . . 153 TYR H . 26745 1 564 . 1 1 138 138 TYR HA H 1 5.765 0.020 . 1 . . . . 153 TYR HA . 26745 1 565 . 1 1 138 138 TYR C C 13 175.449 0.300 . 1 . . . . 153 TYR C . 26745 1 566 . 1 1 138 138 TYR N N 15 116.717 0.300 . 1 . . . . 153 TYR N . 26745 1 567 . 1 1 139 139 VAL H H 1 9.773 0.020 . 1 . . . . 154 VAL H . 26745 1 568 . 1 1 139 139 VAL HA H 1 4.633 0.020 . 1 . . . . 154 VAL HA . 26745 1 569 . 1 1 139 139 VAL C C 13 174.097 0.300 . 1 . . . . 154 VAL C . 26745 1 570 . 1 1 139 139 VAL CA C 13 62.434 0.300 . 1 . . . . 154 VAL CA . 26745 1 571 . 1 1 139 139 VAL N N 15 124.719 0.300 . 1 . . . . 154 VAL N . 26745 1 572 . 1 1 140 140 HIS H H 1 9.178 0.020 . 1 . . . . 155 HIS H . 26745 1 573 . 1 1 140 140 HIS HA H 1 4.760 0.020 . 1 . . . . 155 HIS HA . 26745 1 574 . 1 1 140 140 HIS C C 13 174.948 0.300 . 1 . . . . 155 HIS C . 26745 1 575 . 1 1 140 140 HIS CA C 13 55.636 0.300 . 1 . . . . 155 HIS CA . 26745 1 576 . 1 1 140 140 HIS N N 15 128.171 0.300 . 1 . . . . 155 HIS N . 26745 1 577 . 1 1 141 141 ASN H H 1 8.744 0.020 . 1 . . . . 156 ASN H . 26745 1 578 . 1 1 141 141 ASN HA H 1 5.393 0.020 . 1 . . . . 156 ASN HA . 26745 1 579 . 1 1 141 141 ASN C C 13 175.973 0.300 . 1 . . . . 156 ASN C . 26745 1 580 . 1 1 141 141 ASN CA C 13 52.121 0.300 . 1 . . . . 156 ASN CA . 26745 1 581 . 1 1 141 141 ASN N N 15 119.592 0.300 . 1 . . . . 156 ASN N . 26745 1 582 . 1 1 142 142 ILE H H 1 9.194 0.020 . 1 . . . . 157 ILE H . 26745 1 583 . 1 1 142 142 ILE HA H 1 3.890 0.020 . 1 . . . . 157 ILE HA . 26745 1 584 . 1 1 142 142 ILE C C 13 173.203 0.300 . 1 . . . . 157 ILE C . 26745 1 585 . 1 1 142 142 ILE CA C 13 66.183 0.300 . 1 . . . . 157 ILE CA . 26745 1 586 . 1 1 142 142 ILE N N 15 111.715 0.300 . 1 . . . . 157 ILE N . 26745 1 587 . 1 1 143 143 LYS H H 1 8.423 0.020 . 1 . . . . 158 LYS H . 26745 1 588 . 1 1 143 143 LYS C C 13 176.169 0.300 . 1 . . . . 158 LYS C . 26745 1 589 . 1 1 143 143 LYS N N 15 119.512 0.300 . 1 . . . . 158 LYS N . 26745 1 590 . 1 1 144 144 GLU H H 1 8.452 0.020 . 1 . . . . 159 GLU H . 26745 1 591 . 1 1 144 144 GLU HA H 1 4.942 0.020 . 1 . . . . 159 GLU HA . 26745 1 592 . 1 1 144 144 GLU C C 13 172.462 0.300 . 1 . . . . 159 GLU C . 26745 1 593 . 1 1 144 144 GLU CA C 13 55.161 0.300 . 1 . . . . 159 GLU CA . 26745 1 594 . 1 1 144 144 GLU N N 15 115.029 0.300 . 1 . . . . 159 GLU N . 26745 1 595 . 1 1 145 145 VAL H H 1 7.632 0.020 . 1 . . . . 160 VAL H . 26745 1 596 . 1 1 145 145 VAL HA H 1 4.064 0.020 . 1 . . . . 160 VAL HA . 26745 1 597 . 1 1 145 145 VAL C C 13 174.773 0.300 . 1 . . . . 160 VAL C . 26745 1 598 . 1 1 145 145 VAL CA C 13 62.161 0.300 . 1 . . . . 160 VAL CA . 26745 1 599 . 1 1 145 145 VAL N N 15 118.592 0.300 . 1 . . . . 160 VAL N . 26745 1 600 . 1 1 146 146 MET H H 1 8.826 0.020 . 1 . . . . 161 MET H . 26745 1 601 . 1 1 146 146 MET HA H 1 4.512 0.020 . 1 . . . . 161 MET HA . 26745 1 602 . 1 1 146 146 MET C C 13 173.727 0.300 . 1 . . . . 161 MET C . 26745 1 603 . 1 1 146 146 MET CA C 13 54.908 0.300 . 1 . . . . 161 MET CA . 26745 1 604 . 1 1 146 146 MET N N 15 125.969 0.300 . 1 . . . . 161 MET N . 26745 1 605 . 1 1 147 147 ALA H H 1 9.025 0.020 . 1 . . . . 162 ALA H . 26745 1 606 . 1 1 147 147 ALA HA H 1 4.815 0.020 . 1 . . . . 162 ALA HA . 26745 1 607 . 1 1 147 147 ALA CA C 13 51.329 0.300 . 1 . . . . 162 ALA CA . 26745 1 608 . 1 1 147 147 ALA N N 15 127.470 0.300 . 1 . . . . 162 ALA N . 26745 1 609 . 1 1 148 148 TYR H H 1 8.452 0.020 . 1 . . . . 163 TYR H . 26745 1 610 . 1 1 148 148 TYR N N 15 118.716 0.300 . 1 . . . . 163 TYR N . 26745 1 611 . 1 1 149 149 GLN H H 1 8.490 0.020 . 1 . . . . 164 GLN H . 26745 1 612 . 1 1 149 149 GLN HA H 1 4.887 0.020 . 1 . . . . 164 GLN HA . 26745 1 613 . 1 1 149 149 GLN C C 13 175.449 0.300 . 1 . . . . 164 GLN C . 26745 1 614 . 1 1 149 149 GLN CA C 13 53.894 0.300 . 1 . . . . 164 GLN CA . 26745 1 615 . 1 1 149 149 GLN N N 15 119.342 0.300 . 1 . . . . 164 GLN N . 26745 1 616 . 1 1 150 150 VAL H H 1 9.541 0.020 . 1 . . . . 165 VAL H . 26745 1 617 . 1 1 150 150 VAL HA H 1 4.388 0.020 . 1 . . . . 165 VAL HA . 26745 1 618 . 1 1 150 150 VAL C C 13 177.521 0.300 . 1 . . . . 165 VAL C . 26745 1 619 . 1 1 150 150 VAL CA C 13 64.126 0.300 . 1 . . . . 165 VAL CA . 26745 1 620 . 1 1 150 150 VAL N N 15 127.103 0.300 . 1 . . . . 165 VAL N . 26745 1 621 . 1 1 151 151 ASP H H 1 10.256 0.020 . 1 . . . . 166 ASP H . 26745 1 622 . 1 1 151 151 ASP CA C 13 53.704 0.300 . 1 . . . . 166 ASP CA . 26745 1 623 . 1 1 151 151 ASP N N 15 129.093 0.300 . 1 . . . . 166 ASP N . 26745 1 624 . 1 1 159 159 THR H H 1 7.639 0.020 . 1 . . . . 174 THR H . 26745 1 625 . 1 1 159 159 THR HA H 1 4.078 0.020 . 1 . . . . 174 THR HA . 26745 1 626 . 1 1 159 159 THR C C 13 173.051 0.300 . 1 . . . . 174 THR C . 26745 1 627 . 1 1 159 159 THR CA C 13 61.830 0.300 . 1 . . . . 174 THR CA . 26745 1 628 . 1 1 159 159 THR N N 15 109.027 0.300 . 1 . . . . 174 THR N . 26745 1 629 . 1 1 160 160 ASN H H 1 7.102 0.020 . 1 . . . . 175 ASN H . 26745 1 630 . 1 1 160 160 ASN HA H 1 4.641 0.020 . 1 . . . . 175 ASN HA . 26745 1 631 . 1 1 160 160 ASN C C 13 174.446 0.300 . 1 . . . . 175 ASN C . 26745 1 632 . 1 1 160 160 ASN CA C 13 53.535 0.300 . 1 . . . . 175 ASN CA . 26745 1 633 . 1 1 160 160 ASN N N 15 119.217 0.300 . 1 . . . . 175 ASN N . 26745 1 634 . 1 1 161 161 PHE H H 1 8.668 0.020 . 1 . . . . 176 PHE H . 26745 1 635 . 1 1 161 161 PHE HA H 1 4.822 0.020 . 1 . . . . 176 PHE HA . 26745 1 636 . 1 1 161 161 PHE C C 13 176.191 0.300 . 1 . . . . 176 PHE C . 26745 1 637 . 1 1 161 161 PHE CA C 13 57.150 0.300 . 1 . . . . 176 PHE CA . 26745 1 638 . 1 1 161 161 PHE N N 15 123.594 0.300 . 1 . . . . 176 PHE N . 26745 1 639 . 1 1 162 162 ASP H H 1 8.300 0.020 . 1 . . . . 177 ASP H . 26745 1 640 . 1 1 162 162 ASP HA H 1 4.262 0.020 . 1 . . . . 177 ASP HA . 26745 1 641 . 1 1 162 162 ASP N N 15 121.405 0.300 . 1 . . . . 177 ASP N . 26745 1 642 . 1 1 163 163 ASP H H 1 9.116 0.020 . 1 . . . . 178 ASP H . 26745 1 643 . 1 1 163 163 ASP HA H 1 4.450 0.020 . 1 . . . . 178 ASP HA . 26745 1 644 . 1 1 163 163 ASP C C 13 175.973 0.300 . 1 . . . . 178 ASP C . 26745 1 645 . 1 1 163 163 ASP CA C 13 56.903 0.300 . 1 . . . . 178 ASP CA . 26745 1 646 . 1 1 163 163 ASP N N 15 116.842 0.300 . 1 . . . . 178 ASP N . 26745 1 647 . 1 1 164 164 LEU H H 1 8.166 0.020 . 1 . . . . 179 LEU H . 26745 1 648 . 1 1 164 164 LEU HA H 1 4.015 0.020 . 1 . . . . 179 LEU HA . 26745 1 649 . 1 1 164 164 LEU C C 13 174.250 0.300 . 1 . . . . 179 LEU C . 26745 1 650 . 1 1 164 164 LEU CA C 13 54.401 0.300 . 1 . . . . 179 LEU CA . 26745 1 651 . 1 1 164 164 LEU N N 15 117.779 0.300 . 1 . . . . 179 LEU N . 26745 1 652 . 1 1 165 165 LEU H H 1 6.646 0.020 . 1 . . . . 180 LEU H . 26745 1 653 . 1 1 165 165 LEU HA H 1 4.388 0.020 . 1 . . . . 180 LEU HA . 26745 1 654 . 1 1 165 165 LEU C C 13 179.091 0.300 . 1 . . . . 180 LEU C . 26745 1 655 . 1 1 165 165 LEU CA C 13 54.578 0.300 . 1 . . . . 180 LEU CA . 26745 1 656 . 1 1 165 165 LEU N N 15 115.216 0.300 . 1 . . . . 180 LEU N . 26745 1 657 . 1 1 166 166 ILE H H 1 9.221 0.020 . 1 . . . . 181 ILE H . 26745 1 658 . 1 1 166 166 ILE HA H 1 3.708 0.020 . 1 . . . . 181 ILE HA . 26745 1 659 . 1 1 166 166 ILE C C 13 175.624 0.300 . 1 . . . . 181 ILE C . 26745 1 660 . 1 1 166 166 ILE CA C 13 65.169 0.300 . 1 . . . . 181 ILE CA . 26745 1 661 . 1 1 166 166 ILE N N 15 124.656 0.300 . 1 . . . . 181 ILE N . 26745 1 662 . 1 1 167 167 VAL H H 1 8.789 0.020 . 1 . . . . 182 VAL H . 26745 1 663 . 1 1 167 167 VAL HA H 1 4.705 0.020 . 1 . . . . 182 VAL HA . 26745 1 664 . 1 1 167 167 VAL C C 13 174.577 0.300 . 1 . . . . 182 VAL C . 26745 1 665 . 1 1 167 167 VAL CA C 13 59.184 0.300 . 1 . . . . 182 VAL CA . 26745 1 666 . 1 1 167 167 VAL N N 15 130.209 0.300 . 1 . . . . 182 VAL N . 26745 1 667 . 1 1 169 169 GLY H H 1 9.324 0.020 . 1 . . . . 184 GLY H . 26745 1 668 . 1 1 169 169 GLY C C 13 173.923 0.300 . 1 . . . . 184 GLY C . 26745 1 669 . 1 1 169 169 GLY CA C 13 45.881 0.300 . 1 . . . . 184 GLY CA . 26745 1 670 . 1 1 169 169 GLY N N 15 111.776 0.300 . 1 . . . . 184 GLY N . 26745 1 671 . 1 1 170 170 HIS H H 1 7.558 0.020 . 1 . . . . 185 HIS H . 26745 1 672 . 1 1 170 170 HIS HA H 1 4.703 0.020 . 1 . . . . 185 HIS HA . 26745 1 673 . 1 1 170 170 HIS C C 13 172.353 0.300 . 1 . . . . 185 HIS C . 26745 1 674 . 1 1 170 170 HIS CA C 13 55.415 0.300 . 1 . . . . 185 HIS CA . 26745 1 675 . 1 1 170 170 HIS N N 15 115.841 0.300 . 1 . . . . 185 HIS N . 26745 1 676 . 1 1 171 171 ASP H H 1 8.309 0.020 . 1 . . . . 186 ASP H . 26745 1 677 . 1 1 171 171 ASP CA C 13 53.673 0.300 . 1 . . . . 186 ASP CA . 26745 1 678 . 1 1 171 171 ASP N N 15 125.031 0.300 . 1 . . . . 186 ASP N . 26745 1 679 . 1 1 172 172 TYR H H 1 8.317 0.020 . 1 . . . . 187 TYR H . 26745 1 680 . 1 1 172 172 TYR CA C 13 55.161 0.300 . 1 . . . . 187 TYR CA . 26745 1 681 . 1 1 172 172 TYR N N 15 120.858 0.300 . 1 . . . . 187 TYR N . 26745 1 682 . 1 1 173 173 VAL H H 1 8.684 0.020 . 1 . . . . 188 VAL H . 26745 1 683 . 1 1 173 173 VAL HA H 1 5.330 0.020 . 1 . . . . 188 VAL HA . 26745 1 684 . 1 1 173 173 VAL C C 13 175.100 0.300 . 1 . . . . 188 VAL C . 26745 1 685 . 1 1 173 173 VAL N N 15 122.489 0.300 . 1 . . . . 188 VAL N . 26745 1 686 . 1 1 174 174 THR H H 1 8.829 0.020 . 1 . . . . 189 THR H . 26745 1 687 . 1 1 174 174 THR HA H 1 5.399 0.020 . 1 . . . . 189 THR HA . 26745 1 688 . 1 1 174 174 THR C C 13 172.178 0.300 . 1 . . . . 189 THR C . 26745 1 689 . 1 1 174 174 THR CA C 13 62.817 0.300 . 1 . . . . 189 THR CA . 26745 1 690 . 1 1 174 174 THR N N 15 124.031 0.300 . 1 . . . . 189 THR N . 26745 1 691 . 1 1 175 175 LEU H H 1 9.269 0.020 . 1 . . . . 190 LEU H . 26745 1 692 . 1 1 175 175 LEU HA H 1 5.250 0.020 . 1 . . . . 190 LEU HA . 26745 1 693 . 1 1 175 175 LEU C C 13 174.112 0.300 . 1 . . . . 190 LEU C . 26745 1 694 . 1 1 175 175 LEU CA C 13 52.996 0.300 . 1 . . . . 190 LEU CA . 26745 1 695 . 1 1 175 175 LEU N N 15 127.807 0.300 . 1 . . . . 190 LEU N . 26745 1 696 . 1 1 176 176 LEU H H 1 8.978 0.020 . 1 . . . . 191 LEU H . 26745 1 697 . 1 1 176 176 LEU C C 13 175.820 0.300 . 1 . . . . 191 LEU C . 26745 1 698 . 1 1 176 176 LEU CA C 13 53.926 0.300 . 1 . . . . 191 LEU CA . 26745 1 699 . 1 1 176 176 LEU N N 15 126.907 0.300 . 1 . . . . 191 LEU N . 26745 1 700 . 1 1 177 177 THR H H 1 8.885 0.020 . 1 . . . . 192 THR H . 26745 1 701 . 1 1 177 177 THR C C 13 172.549 0.300 . 1 . . . . 192 THR C . 26745 1 702 . 1 1 177 177 THR CA C 13 61.208 0.300 . 1 . . . . 192 THR CA . 26745 1 703 . 1 1 177 177 THR N N 15 119.780 0.300 . 1 . . . . 192 THR N . 26745 1 704 . 1 1 178 178 CYS H H 1 7.794 0.020 . 1 . . . . 193 CYS H . 26745 1 705 . 1 1 178 178 CYS N N 15 119.968 0.300 . 1 . . . . 193 CYS N . 26745 1 706 . 1 1 179 179 THR H H 1 7.996 0.020 . 1 . . . . 194 THR H . 26745 1 707 . 1 1 179 179 THR HA H 1 4.578 0.020 . 1 . . . . 194 THR HA . 26745 1 708 . 1 1 179 179 THR C C 13 170.652 0.300 . 1 . . . . 194 THR C . 26745 1 709 . 1 1 179 179 THR CA C 13 61.183 0.300 . 1 . . . . 194 THR CA . 26745 1 710 . 1 1 179 179 THR N N 15 116.592 0.300 . 1 . . . . 194 THR N . 26745 1 711 . 1 1 181 181 TYR H H 1 8.699 0.020 . 1 . . . . 196 TYR H . 26745 1 712 . 1 1 181 181 TYR HA H 1 4.325 0.020 . 1 . . . . 196 TYR HA . 26745 1 713 . 1 1 181 181 TYR C C 13 175.297 0.300 . 1 . . . . 196 TYR C . 26745 1 714 . 1 1 181 181 TYR N N 15 123.895 0.300 . 1 . . . . 196 TYR N . 26745 1 715 . 1 1 182 182 MET H H 1 9.098 0.020 . 1 . . . . 197 MET H . 26745 1 716 . 1 1 182 182 MET HA H 1 3.699 0.020 . 1 . . . . 197 MET HA . 26745 1 717 . 1 1 182 182 MET C C 13 174.948 0.300 . 1 . . . . 197 MET C . 26745 1 718 . 1 1 182 182 MET CA C 13 58.170 0.300 . 1 . . . . 197 MET CA . 26745 1 719 . 1 1 182 182 MET N N 15 121.593 0.300 . 1 . . . . 197 MET N . 26745 1 720 . 1 1 183 183 ILE H H 1 8.070 0.020 . 1 . . . . 198 ILE H . 26745 1 721 . 1 1 183 183 ILE C C 13 177.543 0.300 . 1 . . . . 198 ILE C . 26745 1 722 . 1 1 183 183 ILE CA C 13 63.428 0.300 . 1 . . . . 198 ILE CA . 26745 1 723 . 1 1 183 183 ILE N N 15 121.658 0.300 . 1 . . . . 198 ILE N . 26745 1 724 . 1 1 184 184 ASN H H 1 8.524 0.020 . 1 . . . . 199 ASN H . 26745 1 725 . 1 1 184 184 ASN N N 15 110.053 0.300 . 1 . . . . 199 ASN N . 26745 1 726 . 1 1 185 185 THR H H 1 7.473 0.020 . 1 . . . . 200 THR H . 26745 1 727 . 1 1 185 185 THR HA H 1 4.074 0.020 . 1 . . . . 200 THR HA . 26745 1 728 . 1 1 185 185 THR C C 13 174.272 0.300 . 1 . . . . 200 THR C . 26745 1 729 . 1 1 185 185 THR CA C 13 63.396 0.300 . 1 . . . . 200 THR CA . 26745 1 730 . 1 1 185 185 THR N N 15 108.714 0.300 . 1 . . . . 200 THR N . 26745 1 731 . 1 1 186 186 HIS H H 1 9.042 0.020 . 1 . . . . 201 HIS H . 26745 1 732 . 1 1 186 186 HIS HA H 1 5.013 0.020 . 1 . . . . 201 HIS HA . 26745 1 733 . 1 1 186 186 HIS C C 13 175.995 0.300 . 1 . . . . 201 HIS C . 26745 1 734 . 1 1 186 186 HIS CA C 13 56.455 0.300 . 1 . . . . 201 HIS CA . 26745 1 735 . 1 1 186 186 HIS N N 15 118.905 0.300 . 1 . . . . 201 HIS N . 26745 1 736 . 1 1 187 187 ARG H H 1 9.653 0.020 . 1 . . . . 202 ARG H . 26745 1 737 . 1 1 187 187 ARG HA H 1 5.132 0.020 . 1 . . . . 202 ARG HA . 26745 1 738 . 1 1 187 187 ARG C C 13 172.527 0.300 . 1 . . . . 202 ARG C . 26745 1 739 . 1 1 187 187 ARG CA C 13 53.198 0.300 . 1 . . . . 202 ARG CA . 26745 1 740 . 1 1 187 187 ARG N N 15 122.968 0.300 . 1 . . . . 202 ARG N . 26745 1 741 . 1 1 188 188 LEU H H 1 8.674 0.020 . 1 . . . . 203 LEU H . 26745 1 742 . 1 1 188 188 LEU HA H 1 4.830 0.020 . 1 . . . . 203 LEU HA . 26745 1 743 . 1 1 188 188 LEU CA C 13 54.209 0.300 . 1 . . . . 203 LEU CA . 26745 1 744 . 1 1 188 188 LEU N N 15 126.032 0.300 . 1 . . . . 203 LEU N . 26745 1 745 . 1 1 189 189 LEU H H 1 9.273 0.020 . 1 . . . . 204 LEU H . 26745 1 746 . 1 1 189 189 LEU HA H 1 4.894 0.020 . 1 . . . . 204 LEU HA . 26745 1 747 . 1 1 189 189 LEU C C 13 175.471 0.300 . 1 . . . . 204 LEU C . 26745 1 748 . 1 1 189 189 LEU N N 15 127.470 0.300 . 1 . . . . 204 LEU N . 26745 1 749 . 1 1 190 190 VAL H H 1 9.110 0.020 . 1 . . . . 205 VAL H . 26745 1 750 . 1 1 190 190 VAL HA H 1 4.578 0.020 . 1 . . . . 205 VAL HA . 26745 1 751 . 1 1 190 190 VAL C C 13 173.051 0.300 . 1 . . . . 205 VAL C . 26745 1 752 . 1 1 190 190 VAL CA C 13 62.252 0.300 . 1 . . . . 205 VAL CA . 26745 1 753 . 1 1 190 190 VAL N N 15 125.282 0.300 . 1 . . . . 205 VAL N . 26745 1 754 . 1 1 191 191 ARG H H 1 9.185 0.020 . 1 . . . . 206 ARG H . 26745 1 755 . 1 1 191 191 ARG CA C 13 55.415 0.300 . 1 . . . . 206 ARG CA . 26745 1 756 . 1 1 191 191 ARG N N 15 129.771 0.300 . 1 . . . . 206 ARG N . 26745 1 757 . 1 1 192 192 GLY H H 1 9.846 0.020 . 1 . . . . 207 GLY H . 26745 1 758 . 1 1 192 192 GLY C C 13 171.480 0.300 . 1 . . . . 207 GLY C . 26745 1 759 . 1 1 192 192 GLY CA C 13 44.760 0.300 . 1 . . . . 207 GLY CA . 26745 1 760 . 1 1 192 192 GLY N N 15 112.653 0.300 . 1 . . . . 207 GLY N . 26745 1 761 . 1 1 193 193 HIS H H 1 8.382 0.020 . 1 . . . . 208 HIS H . 26745 1 762 . 1 1 193 193 HIS C C 13 174.621 0.300 . 1 . . . . 208 HIS C . 26745 1 763 . 1 1 193 193 HIS CA C 13 53.673 0.300 . 1 . . . . 208 HIS CA . 26745 1 764 . 1 1 193 193 HIS N N 15 117.217 0.300 . 1 . . . . 208 HIS N . 26745 1 765 . 1 1 194 194 ARG H H 1 8.078 0.020 . 1 . . . . 209 ARG H . 26745 1 766 . 1 1 194 194 ARG CA C 13 55.899 0.300 . 1 . . . . 209 ARG CA . 26745 1 767 . 1 1 194 194 ARG N N 15 125.532 0.300 . 1 . . . . 209 ARG N . 26745 1 768 . 1 1 197 197 TYR H H 1 8.592 0.020 . 1 . . . . 212 TYR H . 26745 1 769 . 1 1 197 197 TYR HA H 1 4.515 0.020 . 1 . . . . 212 TYR HA . 26745 1 770 . 1 1 197 197 TYR C C 13 174.294 0.300 . 1 . . . . 212 TYR C . 26745 1 771 . 1 1 197 197 TYR CA C 13 58.677 0.300 . 1 . . . . 212 TYR CA . 26745 1 772 . 1 1 197 197 TYR N N 15 124.156 0.300 . 1 . . . . 212 TYR N . 26745 1 773 . 1 1 198 198 VAL H H 1 7.794 0.020 . 1 . . . . 213 VAL H . 26745 1 774 . 1 1 198 198 VAL HA H 1 4.008 0.020 . 1 . . . . 213 VAL HA . 26745 1 775 . 1 1 198 198 VAL N N 15 127.720 0.300 . 1 . . . . 213 VAL N . 26745 1 776 . 1 1 199 199 ALA H H 1 8.294 0.020 . 1 . . . . 214 ALA H . 26745 1 777 . 1 1 199 199 ALA HA H 1 4.016 0.020 . 1 . . . . 214 ALA HA . 26745 1 778 . 1 1 199 199 ALA C C 13 177.390 0.300 . 1 . . . . 214 ALA C . 26745 1 779 . 1 1 199 199 ALA CA C 13 53.535 0.300 . 1 . . . . 214 ALA CA . 26745 1 780 . 1 1 199 199 ALA N N 15 129.408 0.300 . 1 . . . . 214 ALA N . 26745 1 781 . 1 1 200 200 GLU H H 1 8.435 0.020 . 1 . . . . 215 GLU H . 26745 1 782 . 1 1 200 200 GLU HA H 1 4.262 0.020 . 1 . . . . 215 GLU HA . 26745 1 783 . 1 1 200 200 GLU CA C 13 57.637 0.300 . 1 . . . . 215 GLU CA . 26745 1 784 . 1 1 200 200 GLU N N 15 119.968 0.300 . 1 . . . . 215 GLU N . 26745 1 785 . 1 1 201 201 VAL H H 1 7.880 0.020 . 1 . . . . 216 VAL H . 26745 1 786 . 1 1 201 201 VAL C C 13 176.309 0.300 . 1 . . . . 216 VAL C . 26745 1 787 . 1 1 201 201 VAL CA C 13 62.851 0.300 . 1 . . . . 216 VAL CA . 26745 1 788 . 1 1 201 201 VAL N N 15 120.256 0.300 . 1 . . . . 216 VAL N . 26745 1 789 . 1 1 202 202 GLU H H 1 8.367 0.020 . 1 . . . . 217 GLU H . 26745 1 790 . 1 1 202 202 GLU HA H 1 4.333 0.020 . 1 . . . . 217 GLU HA . 26745 1 791 . 1 1 202 202 GLU C C 13 176.693 0.300 . 1 . . . . 217 GLU C . 26745 1 792 . 1 1 202 202 GLU CA C 13 57.157 0.300 . 1 . . . . 217 GLU CA . 26745 1 793 . 1 1 202 202 GLU N N 15 124.031 0.300 . 1 . . . . 217 GLU N . 26745 1 794 . 1 1 203 203 GLU H H 1 8.437 0.020 . 1 . . . . 218 GLU H . 26745 1 795 . 1 1 203 203 GLU HA H 1 4.197 0.020 . 1 . . . . 218 GLU HA . 26745 1 796 . 1 1 203 203 GLU C C 13 171.044 0.300 . 1 . . . . 218 GLU C . 26745 1 797 . 1 1 203 203 GLU N N 15 121.718 0.300 . 1 . . . . 218 GLU N . 26745 1 798 . 1 1 204 204 GLU H H 1 8.215 0.020 . 1 . . . . 219 GLU H . 26745 1 799 . 1 1 204 204 GLU C C 13 176.496 0.300 . 1 . . . . 219 GLU C . 26745 1 800 . 1 1 204 204 GLU CA C 13 57.853 0.300 . 1 . . . . 219 GLU CA . 26745 1 801 . 1 1 204 204 GLU N N 15 121.218 0.300 . 1 . . . . 219 GLU N . 26745 1 802 . 1 1 205 205 PHE H H 1 8.110 0.020 . 1 . . . . 220 PHE H . 26745 1 803 . 1 1 205 205 PHE HA H 1 4.578 0.020 . 1 . . . . 220 PHE HA . 26745 1 804 . 1 1 205 205 PHE C C 13 175.995 0.300 . 1 . . . . 220 PHE C . 26745 1 805 . 1 1 205 205 PHE CA C 13 58.888 0.300 . 1 . . . . 220 PHE CA . 26745 1 806 . 1 1 205 205 PHE N N 15 121.218 0.300 . 1 . . . . 220 PHE N . 26745 1 807 . 1 1 206 206 ILE H H 1 8.037 0.020 . 1 . . . . 221 ILE H . 26745 1 808 . 1 1 206 206 ILE HA H 1 4.008 0.020 . 1 . . . . 221 ILE HA . 26745 1 809 . 1 1 206 206 ILE C C 13 176.322 0.300 . 1 . . . . 221 ILE C . 26745 1 810 . 1 1 206 206 ILE CA C 13 62.446 0.300 . 1 . . . . 221 ILE CA . 26745 1 811 . 1 1 206 206 ILE N N 15 122.718 0.300 . 1 . . . . 221 ILE N . 26745 1 812 . 1 1 207 207 ALA H H 1 8.142 0.020 . 1 . . . . 222 ALA H . 26745 1 813 . 1 1 207 207 ALA HA H 1 4.198 0.020 . 1 . . . . 222 ALA HA . 26745 1 814 . 1 1 207 207 ALA C C 13 178.045 0.300 . 1 . . . . 222 ALA C . 26745 1 815 . 1 1 207 207 ALA CA C 13 53.546 0.300 . 1 . . . . 222 ALA CA . 26745 1 816 . 1 1 207 207 ALA N N 15 126.407 0.300 . 1 . . . . 222 ALA N . 26745 1 817 . 1 1 208 208 ALA H H 1 8.090 0.020 . 1 . . . . 223 ALA H . 26745 1 818 . 1 1 208 208 ALA HA H 1 4.245 0.020 . 1 . . . . 223 ALA HA . 26745 1 819 . 1 1 208 208 ALA C C 13 177.914 0.300 . 1 . . . . 223 ALA C . 26745 1 820 . 1 1 208 208 ALA N N 15 121.906 0.300 . 1 . . . . 223 ALA N . 26745 1 821 . 1 1 209 209 ASN H H 1 8.084 0.020 . 1 . . . . 224 ASN H . 26745 1 822 . 1 1 209 209 ASN HA H 1 4.697 0.020 . 1 . . . . 224 ASN HA . 26745 1 823 . 1 1 209 209 ASN C C 13 175.124 0.300 . 1 . . . . 224 ASN C . 26745 1 824 . 1 1 209 209 ASN N N 15 116.592 0.300 . 1 . . . . 224 ASN N . 26745 1 825 . 1 1 210 210 LYS H H 1 8.011 0.020 . 1 . . . . 225 LYS H . 26745 1 826 . 1 1 210 210 LYS C C 13 176.344 0.300 . 1 . . . . 225 LYS C . 26745 1 827 . 1 1 210 210 LYS N N 15 121.099 0.300 . 1 . . . . 225 LYS N . 26745 1 828 . 1 1 211 211 LEU H H 1 8.057 0.020 . 1 . . . . 226 LEU H . 26745 1 829 . 1 1 211 211 LEU HA H 1 4.396 0.020 . 1 . . . . 226 LEU HA . 26745 1 830 . 1 1 211 211 LEU C C 13 176.998 0.300 . 1 . . . . 226 LEU C . 26745 1 831 . 1 1 211 211 LEU N N 15 122.343 0.300 . 1 . . . . 226 LEU N . 26745 1 832 . 1 1 212 212 SER H H 1 8.098 0.020 . 1 . . . . 227 SER H . 26745 1 833 . 1 1 212 212 SER HA H 1 4.444 0.020 . 1 . . . . 227 SER HA . 26745 1 834 . 1 1 212 212 SER C C 13 173.237 0.300 . 1 . . . . 227 SER C . 26745 1 835 . 1 1 212 212 SER CA C 13 58.749 0.300 . 1 . . . . 227 SER CA . 26745 1 836 . 1 1 212 212 SER N N 15 116.590 0.300 . 1 . . . . 227 SER N . 26745 1 837 . 1 1 213 213 HIS H H 1 7.943 0.020 . 1 . . . . 228 HIS H . 26745 1 838 . 1 1 213 213 HIS HA H 1 4.515 0.020 . 1 . . . . 228 HIS HA . 26745 1 839 . 1 1 213 213 HIS C C 13 178.742 0.300 . 1 . . . . 228 HIS C . 26745 1 840 . 1 1 213 213 HIS CA C 13 57.410 0.300 . 1 . . . . 228 HIS CA . 26745 1 841 . 1 1 213 213 HIS N N 15 125.469 0.300 . 1 . . . . 228 HIS N . 26745 1 stop_ save_