data_53232 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53232 _Entry.Title ; Peptides generated by periplasmic processing of apoNDM-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-06-17 _Entry.Accession_date 2025-06-17 _Entry.Last_release_date 2025-06-17 _Entry.Original_release_date 2025-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Lisandro Gonzalez . J. . 0000-0002-0575-1810 53232 2 Francisco Hita . J. . . 53232 3 Letizia Pontoriero . . . 0000-0002-5586-1305 53232 4 Roberta Pierattelli . . . 0000-0001-7755-0885 53232 5 Andres Binolfi . . . 0000-0003-2374-0864 53232 6 Alejandro Vila . . . 0000-0002-7978-3233 53232 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Molecular and Cellular Biology of Rosario' . 53232 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53232 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 53232 '15N chemical shifts' 138 53232 '1H chemical shifts' 138 53232 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-07-14 . original BMRB . 53232 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53232 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Periplasmic Protein Quality Control at Atomic Level in Live Cells ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Lisandro Gonzalez . J. . . 53232 1 2 Francisco Hita . J. . . 53232 1 3 Letizia Pontoriero . . . . 53232 1 4 Roberta Pierattelli . . . . 53232 1 5 Andres Binolfi . . . . 53232 1 6 Alejandro Vila . . . . 53232 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Antibiotic resistance' 53232 1 NDM-1 53232 1 Prc 53232 1 'Protein quality control' 53232 1 'in-cell NMR' 53232 1 periplasm 53232 1 'protein degradation' 53232 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53232 _Assembly.ID 1 _Assembly.Name 'Peptides generated by periplasmic degradation of apo NDM-1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'apoNDM-1 peptides' 1 $entity_1 . . yes native no no . . . 53232 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53232 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CMPGEIRPTIGQQMETGDQR FGDLVFRQLAPNVWQHTSYL DMPGFGAVASNGLIVRDGGR VLVVDTAWTDDQTAQILNWI KQEINLPVALAVVTHAHQDK MGGMDALHAAGIATYANALS NQLAPQEGMVAAQHSLTFAA NGWVEPATAPNFGPLKVFYP GPGHTSDNITVGIDGTDIAF GGCLIKDSKAKSLGNLGDAD TEHYAASARAFGAAFPKASM IVMSHSAPDSRAAITHTARM ADKLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 245 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . CYS . 53232 1 2 . MET . 53232 1 3 . PRO . 53232 1 4 . GLY . 53232 1 5 . GLU . 53232 1 6 . ILE . 53232 1 7 . ARG . 53232 1 8 . PRO . 53232 1 9 . THR . 53232 1 10 . ILE . 53232 1 11 . GLY . 53232 1 12 . GLN . 53232 1 13 . GLN . 53232 1 14 . MET . 53232 1 15 . GLU . 53232 1 16 . THR . 53232 1 17 . GLY . 53232 1 18 . ASP . 53232 1 19 . GLN . 53232 1 20 . ARG . 53232 1 21 . PHE . 53232 1 22 . GLY . 53232 1 23 . ASP . 53232 1 24 . LEU . 53232 1 25 . VAL . 53232 1 26 . PHE . 53232 1 27 . ARG . 53232 1 28 . GLN . 53232 1 29 . LEU . 53232 1 30 . ALA . 53232 1 31 . PRO . 53232 1 32 . ASN . 53232 1 33 . VAL . 53232 1 34 . TRP . 53232 1 35 . GLN . 53232 1 36 . HIS . 53232 1 37 . THR . 53232 1 38 . SER . 53232 1 39 . TYR . 53232 1 40 . LEU . 53232 1 41 . ASP . 53232 1 42 . MET . 53232 1 43 . PRO . 53232 1 44 . GLY . 53232 1 45 . PHE . 53232 1 46 . GLY . 53232 1 47 . ALA . 53232 1 48 . VAL . 53232 1 49 . ALA . 53232 1 50 . SER . 53232 1 51 . ASN . 53232 1 52 . GLY . 53232 1 53 . LEU . 53232 1 54 . ILE . 53232 1 55 . VAL . 53232 1 56 . ARG . 53232 1 57 . ASP . 53232 1 58 . GLY . 53232 1 59 . GLY . 53232 1 60 . ARG . 53232 1 61 . VAL . 53232 1 62 . LEU . 53232 1 63 . VAL . 53232 1 64 . VAL . 53232 1 65 . ASP . 53232 1 66 . THR . 53232 1 67 . ALA . 53232 1 68 . TRP . 53232 1 69 . THR . 53232 1 70 . ASP . 53232 1 71 . ASP . 53232 1 72 . GLN . 53232 1 73 . THR . 53232 1 74 . ALA . 53232 1 75 . GLN . 53232 1 76 . ILE . 53232 1 77 . LEU . 53232 1 78 . ASN . 53232 1 79 . TRP . 53232 1 80 . ILE . 53232 1 81 . LYS . 53232 1 82 . GLN . 53232 1 83 . GLU . 53232 1 84 . ILE . 53232 1 85 . ASN . 53232 1 86 . LEU . 53232 1 87 . PRO . 53232 1 88 . VAL . 53232 1 89 . ALA . 53232 1 90 . LEU . 53232 1 91 . ALA . 53232 1 92 . VAL . 53232 1 93 . VAL . 53232 1 94 . THR . 53232 1 95 . HIS . 53232 1 96 . ALA . 53232 1 97 . HIS . 53232 1 98 . GLN . 53232 1 99 . ASP . 53232 1 100 . LYS . 53232 1 101 . MET . 53232 1 102 . GLY . 53232 1 103 . GLY . 53232 1 104 . MET . 53232 1 105 . ASP . 53232 1 106 . ALA . 53232 1 107 . LEU . 53232 1 108 . HIS . 53232 1 109 . ALA . 53232 1 110 . ALA . 53232 1 111 . GLY . 53232 1 112 . ILE . 53232 1 113 . ALA . 53232 1 114 . THR . 53232 1 115 . TYR . 53232 1 116 . ALA . 53232 1 117 . ASN . 53232 1 118 . ALA . 53232 1 119 . LEU . 53232 1 120 . SER . 53232 1 121 . ASN . 53232 1 122 . GLN . 53232 1 123 . LEU . 53232 1 124 . ALA . 53232 1 125 . PRO . 53232 1 126 . GLN . 53232 1 127 . GLU . 53232 1 128 . GLY . 53232 1 129 . MET . 53232 1 130 . VAL . 53232 1 131 . ALA . 53232 1 132 . ALA . 53232 1 133 . GLN . 53232 1 134 . HIS . 53232 1 135 . SER . 53232 1 136 . LEU . 53232 1 137 . THR . 53232 1 138 . PHE . 53232 1 139 . ALA . 53232 1 140 . ALA . 53232 1 141 . ASN . 53232 1 142 . GLY . 53232 1 143 . TRP . 53232 1 144 . VAL . 53232 1 145 . GLU . 53232 1 146 . PRO . 53232 1 147 . ALA . 53232 1 148 . THR . 53232 1 149 . ALA . 53232 1 150 . PRO . 53232 1 151 . ASN . 53232 1 152 . PHE . 53232 1 153 . GLY . 53232 1 154 . PRO . 53232 1 155 . LEU . 53232 1 156 . LYS . 53232 1 157 . VAL . 53232 1 158 . PHE . 53232 1 159 . TYR . 53232 1 160 . PRO . 53232 1 161 . GLY . 53232 1 162 . PRO . 53232 1 163 . GLY . 53232 1 164 . HIS . 53232 1 165 . THR . 53232 1 166 . SER . 53232 1 167 . ASP . 53232 1 168 . ASN . 53232 1 169 . ILE . 53232 1 170 . THR . 53232 1 171 . VAL . 53232 1 172 . GLY . 53232 1 173 . ILE . 53232 1 174 . ASP . 53232 1 175 . GLY . 53232 1 176 . THR . 53232 1 177 . ASP . 53232 1 178 . ILE . 53232 1 179 . ALA . 53232 1 180 . PHE . 53232 1 181 . GLY . 53232 1 182 . GLY . 53232 1 183 . CYS . 53232 1 184 . LEU . 53232 1 185 . ILE . 53232 1 186 . LYS . 53232 1 187 . ASP . 53232 1 188 . SER . 53232 1 189 . LYS . 53232 1 190 . ALA . 53232 1 191 . LYS . 53232 1 192 . SER . 53232 1 193 . LEU . 53232 1 194 . GLY . 53232 1 195 . ASN . 53232 1 196 . LEU . 53232 1 197 . GLY . 53232 1 198 . ASP . 53232 1 199 . ALA . 53232 1 200 . ASP . 53232 1 201 . THR . 53232 1 202 . GLU . 53232 1 203 . HIS . 53232 1 204 . TYR . 53232 1 205 . ALA . 53232 1 206 . ALA . 53232 1 207 . SER . 53232 1 208 . ALA . 53232 1 209 . ARG . 53232 1 210 . ALA . 53232 1 211 . PHE . 53232 1 212 . GLY . 53232 1 213 . ALA . 53232 1 214 . ALA . 53232 1 215 . PHE . 53232 1 216 . PRO . 53232 1 217 . LYS . 53232 1 218 . ALA . 53232 1 219 . SER . 53232 1 220 . MET . 53232 1 221 . ILE . 53232 1 222 . VAL . 53232 1 223 . MET . 53232 1 224 . SER . 53232 1 225 . HIS . 53232 1 226 . SER . 53232 1 227 . ALA . 53232 1 228 . PRO . 53232 1 229 . ASP . 53232 1 230 . SER . 53232 1 231 . ARG . 53232 1 232 . ALA . 53232 1 233 . ALA . 53232 1 234 . ILE . 53232 1 235 . THR . 53232 1 236 . HIS . 53232 1 237 . THR . 53232 1 238 . ALA . 53232 1 239 . ARG . 53232 1 240 . MET . 53232 1 241 . ALA . 53232 1 242 . ASP . 53232 1 243 . LYS . 53232 1 244 . LEU . 53232 1 245 . ARG . 53232 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 . CYS 1 1 53232 1 . MET 2 2 53232 1 . PRO 3 3 53232 1 . GLY 4 4 53232 1 . GLU 5 5 53232 1 . ILE 6 6 53232 1 . ARG 7 7 53232 1 . PRO 8 8 53232 1 . THR 9 9 53232 1 . ILE 10 10 53232 1 . GLY 11 11 53232 1 . GLN 12 12 53232 1 . GLN 13 13 53232 1 . MET 14 14 53232 1 . GLU 15 15 53232 1 . THR 16 16 53232 1 . GLY 17 17 53232 1 . ASP 18 18 53232 1 . GLN 19 19 53232 1 . ARG 20 20 53232 1 . PHE 21 21 53232 1 . GLY 22 22 53232 1 . ASP 23 23 53232 1 . LEU 24 24 53232 1 . VAL 25 25 53232 1 . PHE 26 26 53232 1 . ARG 27 27 53232 1 . GLN 28 28 53232 1 . LEU 29 29 53232 1 . ALA 30 30 53232 1 . PRO 31 31 53232 1 . ASN 32 32 53232 1 . VAL 33 33 53232 1 . TRP 34 34 53232 1 . GLN 35 35 53232 1 . HIS 36 36 53232 1 . THR 37 37 53232 1 . SER 38 38 53232 1 . TYR 39 39 53232 1 . LEU 40 40 53232 1 . ASP 41 41 53232 1 . MET 42 42 53232 1 . PRO 43 43 53232 1 . GLY 44 44 53232 1 . PHE 45 45 53232 1 . GLY 46 46 53232 1 . ALA 47 47 53232 1 . VAL 48 48 53232 1 . ALA 49 49 53232 1 . SER 50 50 53232 1 . ASN 51 51 53232 1 . GLY 52 52 53232 1 . LEU 53 53 53232 1 . ILE 54 54 53232 1 . VAL 55 55 53232 1 . ARG 56 56 53232 1 . ASP 57 57 53232 1 . GLY 58 58 53232 1 . GLY 59 59 53232 1 . ARG 60 60 53232 1 . VAL 61 61 53232 1 . LEU 62 62 53232 1 . VAL 63 63 53232 1 . VAL 64 64 53232 1 . ASP 65 65 53232 1 . THR 66 66 53232 1 . ALA 67 67 53232 1 . TRP 68 68 53232 1 . THR 69 69 53232 1 . ASP 70 70 53232 1 . ASP 71 71 53232 1 . GLN 72 72 53232 1 . THR 73 73 53232 1 . ALA 74 74 53232 1 . GLN 75 75 53232 1 . ILE 76 76 53232 1 . LEU 77 77 53232 1 . ASN 78 78 53232 1 . TRP 79 79 53232 1 . ILE 80 80 53232 1 . LYS 81 81 53232 1 . GLN 82 82 53232 1 . GLU 83 83 53232 1 . ILE 84 84 53232 1 . ASN 85 85 53232 1 . LEU 86 86 53232 1 . PRO 87 87 53232 1 . VAL 88 88 53232 1 . ALA 89 89 53232 1 . LEU 90 90 53232 1 . ALA 91 91 53232 1 . VAL 92 92 53232 1 . VAL 93 93 53232 1 . THR 94 94 53232 1 . HIS 95 95 53232 1 . ALA 96 96 53232 1 . HIS 97 97 53232 1 . GLN 98 98 53232 1 . ASP 99 99 53232 1 . LYS 100 100 53232 1 . MET 101 101 53232 1 . GLY 102 102 53232 1 . GLY 103 103 53232 1 . MET 104 104 53232 1 . ASP 105 105 53232 1 . ALA 106 106 53232 1 . LEU 107 107 53232 1 . HIS 108 108 53232 1 . ALA 109 109 53232 1 . ALA 110 110 53232 1 . GLY 111 111 53232 1 . ILE 112 112 53232 1 . ALA 113 113 53232 1 . THR 114 114 53232 1 . TYR 115 115 53232 1 . ALA 116 116 53232 1 . ASN 117 117 53232 1 . ALA 118 118 53232 1 . LEU 119 119 53232 1 . SER 120 120 53232 1 . ASN 121 121 53232 1 . GLN 122 122 53232 1 . LEU 123 123 53232 1 . ALA 124 124 53232 1 . PRO 125 125 53232 1 . GLN 126 126 53232 1 . GLU 127 127 53232 1 . GLY 128 128 53232 1 . MET 129 129 53232 1 . VAL 130 130 53232 1 . ALA 131 131 53232 1 . ALA 132 132 53232 1 . GLN 133 133 53232 1 . HIS 134 134 53232 1 . SER 135 135 53232 1 . LEU 136 136 53232 1 . THR 137 137 53232 1 . PHE 138 138 53232 1 . ALA 139 139 53232 1 . ALA 140 140 53232 1 . ASN 141 141 53232 1 . GLY 142 142 53232 1 . TRP 143 143 53232 1 . VAL 144 144 53232 1 . GLU 145 145 53232 1 . PRO 146 146 53232 1 . ALA 147 147 53232 1 . THR 148 148 53232 1 . ALA 149 149 53232 1 . PRO 150 150 53232 1 . ASN 151 151 53232 1 . PHE 152 152 53232 1 . GLY 153 153 53232 1 . PRO 154 154 53232 1 . LEU 155 155 53232 1 . LYS 156 156 53232 1 . VAL 157 157 53232 1 . PHE 158 158 53232 1 . TYR 159 159 53232 1 . PRO 160 160 53232 1 . GLY 161 161 53232 1 . PRO 162 162 53232 1 . GLY 163 163 53232 1 . HIS 164 164 53232 1 . THR 165 165 53232 1 . SER 166 166 53232 1 . ASP 167 167 53232 1 . ASN 168 168 53232 1 . ILE 169 169 53232 1 . THR 170 170 53232 1 . VAL 171 171 53232 1 . GLY 172 172 53232 1 . ILE 173 173 53232 1 . ASP 174 174 53232 1 . GLY 175 175 53232 1 . THR 176 176 53232 1 . ASP 177 177 53232 1 . ILE 178 178 53232 1 . ALA 179 179 53232 1 . PHE 180 180 53232 1 . GLY 181 181 53232 1 . GLY 182 182 53232 1 . CYS 183 183 53232 1 . LEU 184 184 53232 1 . ILE 185 185 53232 1 . LYS 186 186 53232 1 . ASP 187 187 53232 1 . SER 188 188 53232 1 . LYS 189 189 53232 1 . ALA 190 190 53232 1 . LYS 191 191 53232 1 . SER 192 192 53232 1 . LEU 193 193 53232 1 . GLY 194 194 53232 1 . ASN 195 195 53232 1 . LEU 196 196 53232 1 . GLY 197 197 53232 1 . ASP 198 198 53232 1 . ALA 199 199 53232 1 . ASP 200 200 53232 1 . THR 201 201 53232 1 . GLU 202 202 53232 1 . HIS 203 203 53232 1 . TYR 204 204 53232 1 . ALA 205 205 53232 1 . ALA 206 206 53232 1 . SER 207 207 53232 1 . ALA 208 208 53232 1 . ARG 209 209 53232 1 . ALA 210 210 53232 1 . PHE 211 211 53232 1 . GLY 212 212 53232 1 . ALA 213 213 53232 1 . ALA 214 214 53232 1 . PHE 215 215 53232 1 . PRO 216 216 53232 1 . LYS 217 217 53232 1 . ALA 218 218 53232 1 . SER 219 219 53232 1 . MET 220 220 53232 1 . ILE 221 221 53232 1 . VAL 222 222 53232 1 . MET 223 223 53232 1 . SER 224 224 53232 1 . HIS 225 225 53232 1 . SER 226 226 53232 1 . ALA 227 227 53232 1 . PRO 228 228 53232 1 . ASP 229 229 53232 1 . SER 230 230 53232 1 . ARG 231 231 53232 1 . ALA 232 232 53232 1 . ALA 233 233 53232 1 . ILE 234 234 53232 1 . THR 235 235 53232 1 . HIS 236 236 53232 1 . THR 237 237 53232 1 . ALA 238 238 53232 1 . ARG 239 239 53232 1 . MET 240 240 53232 1 . ALA 241 241 53232 1 . ASP 242 242 53232 1 . LYS 243 243 53232 1 . LEU 244 244 53232 1 . ARG 245 245 53232 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53232 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . 53232 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53232 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pET26 . . . 53232 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53232 _Sample.ID 1 _Sample.Name 'NDM-1 peptides' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample is a mixture of peptides generated by the intracellular digestion of apoNDM-1 metallo-beta-lactamase' _Sample.Aggregate_sample_number 1 _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 'Peptides generated by periplasmic degradation of apo NDM-1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 190 . . uM . . . . 53232 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 53232 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53232 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53232 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 53232 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _Sample_condition_list.Details '20 mM phosphate, 150 mM NaCl, pH 7.0, 293K, 1 atm' 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' 0.15 . M 53232 1 pH 7 . pH 53232 1 pressure 1 . atm 53232 1 temperature 293 . K 53232 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53232 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53232 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53232 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 950 CP' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53232 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53232 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53232 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53232 1 4 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53232 1 5 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53232 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53232 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 external indirect 0.251449528 . . . . . 53232 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 53232 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 53232 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53232 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NDM1_Prc_DegP_in_vivo _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 53232 1 2 '3D HNCO' . . . 53232 1 3 '3D HN(CA)CO' . . . 53232 1 4 '3D CBCACONH' . . . 53232 1 5 '3D CBCANH' . . . 53232 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53232 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 21 21 PHE C C 13 176.37 0.05 . 1 . . . . . 21 PHE C . 53232 1 2 . 1 . 1 21 21 PHE CA C 13 57.81 0.05 . 1 . . . . . 21 PHE CA . 53232 1 3 . 1 . 1 21 21 PHE CB C 13 39.42 0.05 . 1 . . . . . 21 PHE CB . 53232 1 4 . 1 . 1 22 22 GLY H H 1 8.2 0.05 . 1 . . . . . 22 GLY H . 53232 1 5 . 1 . 1 22 22 GLY C C 13 173.78 0.05 . 1 . . . . . 22 GLY C . 53232 1 6 . 1 . 1 22 22 GLY CA C 13 45.28 0.05 . 1 . . . . . 22 GLY CA . 53232 1 7 . 1 . 1 22 22 GLY N N 15 110.19 0.05 . 1 . . . . . 22 GLY N . 53232 1 8 . 1 . 1 23 23 ASP H H 1 8.09 0.05 . 1 . . . . . 23 ASP H . 53232 1 9 . 1 . 1 23 23 ASP C C 13 176.2 0.05 . 1 . . . . . 23 ASP C . 53232 1 10 . 1 . 1 23 23 ASP CA C 13 54.47 0.05 . 1 . . . . . 23 ASP CA . 53232 1 11 . 1 . 1 23 23 ASP CB C 13 41.01 0.05 . 1 . . . . . 23 ASP CB . 53232 1 12 . 1 . 1 23 23 ASP N N 15 120.13 0.05 . 1 . . . . . 23 ASP N . 53232 1 13 . 1 . 1 24 24 LEU C C 13 176.49 0.05 . 1 . . . . . 24 LEU C . 53232 1 14 . 1 . 1 24 24 LEU CA C 13 55.39 0.05 . 1 . . . . . 24 LEU CA . 53232 1 15 . 1 . 1 24 24 LEU CB C 13 42.25 0.05 . 1 . . . . . 24 LEU CB . 53232 1 16 . 1 . 1 25 25 VAL H H 1 7.48 0.05 . 1 . . . . . 25 VAL H . 53232 1 17 . 1 . 1 25 25 VAL C C 13 181.06 0.05 . 1 . . . . . 25 VAL C . 53232 1 18 . 1 . 1 25 25 VAL CA C 13 63.55 0.05 . 1 . . . . . 25 VAL CA . 53232 1 19 . 1 . 1 25 25 VAL CB C 13 33.16 0.05 . 1 . . . . . 25 VAL CB . 53232 1 20 . 1 . 1 25 25 VAL N N 15 124.53 0.05 . 1 . . . . . 25 VAL N . 53232 1 21 . 1 . 1 29 29 LEU C C 13 176.2 0.05 . 1 . . . . . 29 LEU C . 53232 1 22 . 1 . 1 29 29 LEU CA C 13 55.07 0.05 . 1 . . . . . 29 LEU CA . 53232 1 23 . 1 . 1 29 29 LEU CB C 13 42.23 0.05 . 1 . . . . . 29 LEU CB . 53232 1 24 . 1 . 1 30 30 ALA H H 1 7.74 0.05 . 1 . . . . . 30 ALA H . 53232 1 25 . 1 . 1 30 30 ALA C C 13 182.34 0.05 . 1 . . . . . 30 ALA C . 53232 1 26 . 1 . 1 30 30 ALA CA C 13 53.81 0.05 . 1 . . . . . 30 ALA CA . 53232 1 27 . 1 . 1 30 30 ALA CB C 13 20.22 0.05 . 1 . . . . . 30 ALA CB . 53232 1 28 . 1 . 1 30 30 ALA N N 15 130.13 0.05 . 1 . . . . . 30 ALA N . 53232 1 29 . 1 . 1 31 31 PRO C C 13 176.71 0.05 . 1 . . . . . 31 PRO C . 53232 1 30 . 1 . 1 31 31 PRO CA C 13 63.21 0.05 . 1 . . . . . 31 PRO CA . 53232 1 31 . 1 . 1 31 31 PRO CB C 13 31.87 0.05 . 1 . . . . . 31 PRO CB . 53232 1 32 . 1 . 1 32 32 ASN H H 1 8.31 0.05 . 1 . . . . . 32 ASN H . 53232 1 33 . 1 . 1 32 32 ASN C C 13 175.31 0.05 . 1 . . . . . 32 ASN C . 53232 1 34 . 1 . 1 32 32 ASN CA C 13 53.3 0.05 . 1 . . . . . 32 ASN CA . 53232 1 35 . 1 . 1 32 32 ASN CB C 13 38.47 0.05 . 1 . . . . . 32 ASN CB . 53232 1 36 . 1 . 1 32 32 ASN N N 15 117.82 0.05 . 1 . . . . . 32 ASN N . 53232 1 37 . 1 . 1 33 33 VAL H H 1 7.8 0.05 . 1 . . . . . 33 VAL H . 53232 1 38 . 1 . 1 33 33 VAL C C 13 175.73 0.05 . 1 . . . . . 33 VAL C . 53232 1 39 . 1 . 1 33 33 VAL CA C 13 62.52 0.05 . 1 . . . . . 33 VAL CA . 53232 1 40 . 1 . 1 33 33 VAL CB C 13 32.48 0.05 . 1 . . . . . 33 VAL CB . 53232 1 41 . 1 . 1 33 33 VAL N N 15 119.52 0.05 . 1 . . . . . 33 VAL N . 53232 1 42 . 1 . 1 35 35 GLN C C 13 176.21 0.05 . 1 . . . . . 35 GLN C . 53232 1 43 . 1 . 1 35 35 GLN CA C 13 56.75 0.05 . 1 . . . . . 35 GLN CA . 53232 1 44 . 1 . 1 35 35 GLN CB C 13 29.91 0.05 . 1 . . . . . 35 GLN CB . 53232 1 45 . 1 . 1 36 36 HIS H H 1 8.16 0.05 . 1 . . . . . 36 HIS H . 53232 1 46 . 1 . 1 36 36 HIS C C 13 174.11 0.05 . 1 . . . . . 36 HIS C . 53232 1 47 . 1 . 1 36 36 HIS CA C 13 55.36 0.05 . 1 . . . . . 36 HIS CA . 53232 1 48 . 1 . 1 36 36 HIS CB C 13 29.39 0.05 . 1 . . . . . 36 HIS CB . 53232 1 49 . 1 . 1 36 36 HIS N N 15 118.93 0.05 . 1 . . . . . 36 HIS N . 53232 1 50 . 1 . 1 37 37 THR H H 1 7.86 0.05 . 1 . . . . . 37 THR H . 53232 1 51 . 1 . 1 37 37 THR C C 13 179.43 0.05 . 1 . . . . . 37 THR C . 53232 1 52 . 1 . 1 37 37 THR CA C 13 63.46 0.05 . 1 . . . . . 37 THR CA . 53232 1 53 . 1 . 1 37 37 THR CB C 13 70.32 0.05 . 1 . . . . . 37 THR CB . 53232 1 54 . 1 . 1 37 37 THR N N 15 120.6 0.05 . 1 . . . . . 37 THR N . 53232 1 55 . 1 . 1 39 39 TYR C C 13 175.54 0.05 . 1 . . . . . 39 TYR C . 53232 1 56 . 1 . 1 39 39 TYR CA C 13 58.73 0.05 . 1 . . . . . 39 TYR CA . 53232 1 57 . 1 . 1 39 39 TYR CB C 13 38.15 0.05 . 1 . . . . . 39 TYR CB . 53232 1 58 . 1 . 1 40 40 LEU H H 1 7.8 0.05 . 1 . . . . . 40 LEU H . 53232 1 59 . 1 . 1 40 40 LEU C C 13 176.66 0.05 . 1 . . . . . 40 LEU C . 53232 1 60 . 1 . 1 40 40 LEU CA C 13 55.22 0.05 . 1 . . . . . 40 LEU CA . 53232 1 61 . 1 . 1 40 40 LEU CB C 13 42.23 0.05 . 1 . . . . . 40 LEU CB . 53232 1 62 . 1 . 1 40 40 LEU N N 15 122.51 0.05 . 1 . . . . . 40 LEU N . 53232 1 63 . 1 . 1 41 41 ASP H H 1 7.87 0.05 . 1 . . . . . 41 ASP H . 53232 1 64 . 1 . 1 41 41 ASP C C 13 175.75 0.05 . 1 . . . . . 41 ASP C . 53232 1 65 . 1 . 1 41 41 ASP CA C 13 54.3 0.05 . 1 . . . . . 41 ASP CA . 53232 1 66 . 1 . 1 41 41 ASP CB C 13 40.98 0.05 . 1 . . . . . 41 ASP CB . 53232 1 67 . 1 . 1 41 41 ASP N N 15 119.85 0.05 . 1 . . . . . 41 ASP N . 53232 1 68 . 1 . 1 42 42 MET H H 1 7.91 0.05 . 1 . . . . . 42 MET H . 53232 1 69 . 1 . 1 42 42 MET C C 13 174.1 0.05 . 1 . . . . . 42 MET C . 53232 1 70 . 1 . 1 42 42 MET CA C 13 53.27 0.05 . 1 . . . . . 42 MET CA . 53232 1 71 . 1 . 1 42 42 MET CB C 13 32.6 0.05 . 1 . . . . . 42 MET CB . 53232 1 72 . 1 . 1 42 42 MET N N 15 121.22 0.05 . 1 . . . . . 42 MET N . 53232 1 73 . 1 . 1 43 43 PRO C C 13 177.51 0.05 . 1 . . . . . 43 PRO C . 53232 1 74 . 1 . 1 43 43 PRO CA C 13 63.55 0.05 . 1 . . . . . 43 PRO CA . 53232 1 75 . 1 . 1 43 43 PRO CB C 13 31.88 0.05 . 1 . . . . . 43 PRO CB . 53232 1 76 . 1 . 1 44 44 GLY H H 1 8.37 0.05 . 1 . . . . . 44 GLY H . 53232 1 77 . 1 . 1 44 44 GLY C C 13 174.13 0.05 . 1 . . . . . 44 GLY C . 53232 1 78 . 1 . 1 44 44 GLY CA C 13 45.1 0.05 . 1 . . . . . 44 GLY CA . 53232 1 79 . 1 . 1 44 44 GLY N N 15 109.4 0.05 . 1 . . . . . 44 GLY N . 53232 1 80 . 1 . 1 45 45 PHE H H 1 8.01 0.05 . 1 . . . . . 45 PHE H . 53232 1 81 . 1 . 1 45 45 PHE C C 13 176.41 0.05 . 1 . . . . . 45 PHE C . 53232 1 82 . 1 . 1 45 45 PHE CA C 13 58.23 0.05 . 1 . . . . . 45 PHE CA . 53232 1 83 . 1 . 1 45 45 PHE CB C 13 39.4 0.05 . 1 . . . . . 45 PHE CB . 53232 1 84 . 1 . 1 45 45 PHE N N 15 119.93 0.05 . 1 . . . . . 45 PHE N . 53232 1 85 . 1 . 1 46 46 GLY H H 1 8.25 0.05 . 1 . . . . . 46 GLY H . 53232 1 86 . 1 . 1 46 46 GLY C C 13 173.56 0.05 . 1 . . . . . 46 GLY C . 53232 1 87 . 1 . 1 46 46 GLY CA C 13 45.2 0.05 . 1 . . . . . 46 GLY CA . 53232 1 88 . 1 . 1 46 46 GLY N N 15 111.04 0.05 . 1 . . . . . 46 GLY N . 53232 1 89 . 1 . 1 47 47 ALA H H 1 7.92 0.05 . 1 . . . . . 47 ALA H . 53232 1 90 . 1 . 1 47 47 ALA C C 13 176.94 0.05 . 1 . . . . . 47 ALA C . 53232 1 91 . 1 . 1 47 47 ALA CA C 13 52.48 0.05 . 1 . . . . . 47 ALA CA . 53232 1 92 . 1 . 1 47 47 ALA CB C 13 19.29 0.05 . 1 . . . . . 47 ALA CB . 53232 1 93 . 1 . 1 47 47 ALA N N 15 124.16 0.05 . 1 . . . . . 47 ALA N . 53232 1 94 . 1 . 1 48 48 VAL H H 1 7.59 0.05 . 1 . . . . . 48 VAL H . 53232 1 95 . 1 . 1 48 48 VAL C C 13 181.18 0.05 . 1 . . . . . 48 VAL C . 53232 1 96 . 1 . 1 48 48 VAL CA C 13 63.55 0.05 . 1 . . . . . 48 VAL CA . 53232 1 97 . 1 . 1 48 48 VAL CB C 13 33.15 0.05 . 1 . . . . . 48 VAL CB . 53232 1 98 . 1 . 1 48 48 VAL N N 15 123.02 0.05 . 1 . . . . . 48 VAL N . 53232 1 99 . 1 . 1 51 51 ASN C C 13 175.65 0.05 . 1 . . . . . 51 ASN C . 53232 1 100 . 1 . 1 51 51 ASN CA C 13 53.34 0.05 . 1 . . . . . 51 ASN CA . 53232 1 101 . 1 . 1 51 51 ASN CB C 13 38.77 0.05 . 1 . . . . . 51 ASN CB . 53232 1 102 . 1 . 1 52 52 GLY H H 1 8.29 0.05 . 1 . . . . . 52 GLY H . 53232 1 103 . 1 . 1 52 52 GLY C C 13 173.84 0.05 . 1 . . . . . 52 GLY C . 53232 1 104 . 1 . 1 52 52 GLY CA C 13 45.31 0.05 . 1 . . . . . 52 GLY CA . 53232 1 105 . 1 . 1 52 52 GLY N N 15 108.92 0.05 . 1 . . . . . 52 GLY N . 53232 1 106 . 1 . 1 53 53 LEU H H 1 7.96 0.05 . 1 . . . . . 53 LEU H . 53232 1 107 . 1 . 1 53 53 LEU C C 13 177.17 0.05 . 1 . . . . . 53 LEU C . 53232 1 108 . 1 . 1 53 53 LEU CA C 13 55.19 0.05 . 1 . . . . . 53 LEU CA . 53232 1 109 . 1 . 1 53 53 LEU CB C 13 42.39 0.05 . 1 . . . . . 53 LEU CB . 53232 1 110 . 1 . 1 53 53 LEU N N 15 121.7 0.05 . 1 . . . . . 53 LEU N . 53232 1 111 . 1 . 1 54 54 ILE H H 1 8.09 0.05 . 1 . . . . . 54 ILE H . 53232 1 112 . 1 . 1 54 54 ILE C C 13 175.41 0.05 . 1 . . . . . 54 ILE C . 53232 1 113 . 1 . 1 54 54 ILE CA C 13 61.1 0.05 . 1 . . . . . 54 ILE CA . 53232 1 114 . 1 . 1 54 54 ILE CB C 13 38.15 0.05 . 1 . . . . . 54 ILE CB . 53232 1 115 . 1 . 1 54 54 ILE N N 15 123.18 0.05 . 1 . . . . . 54 ILE N . 53232 1 116 . 1 . 1 57 57 ASP C C 13 176.66 0.05 . 1 . . . . . 57 ASP C . 53232 1 117 . 1 . 1 57 57 ASP CA C 13 54.5 0.05 . 1 . . . . . 57 ASP CA . 53232 1 118 . 1 . 1 57 57 ASP CB C 13 41 0.05 . 1 . . . . . 57 ASP CB . 53232 1 119 . 1 . 1 58 58 GLY H H 1 8.23 0.05 . 1 . . . . . 58 GLY H . 53232 1 120 . 1 . 1 58 58 GLY C C 13 174.52 0.05 . 1 . . . . . 58 GLY C . 53232 1 121 . 1 . 1 58 58 GLY CA C 13 45.45 0.05 . 1 . . . . . 58 GLY CA . 53232 1 122 . 1 . 1 58 58 GLY N N 15 109.07 0.05 . 1 . . . . . 58 GLY N . 53232 1 123 . 1 . 1 59 59 GLY H H 1 7.71 0.05 . 1 . . . . . 59 GLY H . 53232 1 124 . 1 . 1 59 59 GLY C C 13 173.95 0.05 . 1 . . . . . 59 GLY C . 53232 1 125 . 1 . 1 59 59 GLY CA C 13 45.2 0.05 . 1 . . . . . 59 GLY CA . 53232 1 126 . 1 . 1 59 59 GLY N N 15 108.04 0.05 . 1 . . . . . 59 GLY N . 53232 1 127 . 1 . 1 60 60 ARG H H 1 7.95 0.05 . 1 . . . . . 60 ARG H . 53232 1 128 . 1 . 1 60 60 ARG C C 13 176.09 0.05 . 1 . . . . . 60 ARG C . 53232 1 129 . 1 . 1 60 60 ARG CA C 13 56.03 0.05 . 1 . . . . . 60 ARG CA . 53232 1 130 . 1 . 1 60 60 ARG CB C 13 30.91 0.05 . 1 . . . . . 60 ARG CB . 53232 1 131 . 1 . 1 60 60 ARG N N 15 120.37 0.05 . 1 . . . . . 60 ARG N . 53232 1 132 . 1 . 1 61 61 VAL H H 1 8.17 0.05 . 1 . . . . . 61 VAL H . 53232 1 133 . 1 . 1 61 61 VAL C C 13 175.94 0.05 . 1 . . . . . 61 VAL C . 53232 1 134 . 1 . 1 61 61 VAL CA C 13 62.44 0.05 . 1 . . . . . 61 VAL CA . 53232 1 135 . 1 . 1 61 61 VAL CB C 13 32.62 0.05 . 1 . . . . . 61 VAL CB . 53232 1 136 . 1 . 1 61 61 VAL N N 15 122.62 0.05 . 1 . . . . . 61 VAL N . 53232 1 137 . 1 . 1 62 62 LEU H H 1 8.33 0.05 . 1 . . . . . 62 LEU H . 53232 1 138 . 1 . 1 62 62 LEU C C 13 176.21 0.05 . 1 . . . . . 62 LEU C . 53232 1 139 . 1 . 1 62 62 LEU CA C 13 55.2 0.05 . 1 . . . . . 62 LEU CA . 53232 1 140 . 1 . 1 62 62 LEU CB C 13 42.23 0.05 . 1 . . . . . 62 LEU CB . 53232 1 141 . 1 . 1 62 62 LEU N N 15 127.47 0.05 . 1 . . . . . 62 LEU N . 53232 1 142 . 1 . 1 63 63 VAL H H 1 7.5 0.05 . 1 . . . . . 63 VAL H . 53232 1 143 . 1 . 1 63 63 VAL C C 13 180.94 0.05 . 1 . . . . . 63 VAL C . 53232 1 144 . 1 . 1 63 63 VAL CA C 13 63.56 0.05 . 1 . . . . . 63 VAL CA . 53232 1 145 . 1 . 1 63 63 VAL CB C 13 33.34 0.05 . 1 . . . . . 63 VAL CB . 53232 1 146 . 1 . 1 63 63 VAL N N 15 124.99 0.05 . 1 . . . . . 63 VAL N . 53232 1 147 . 1 . 1 64 64 VAL C C 13 175.63 0.05 . 1 . . . . . 64 VAL C . 53232 1 148 . 1 . 1 64 64 VAL CA C 13 61.93 0.05 . 1 . . . . . 64 VAL CA . 53232 1 149 . 1 . 1 64 64 VAL CB C 13 32.87 0.05 . 1 . . . . . 64 VAL CB . 53232 1 150 . 1 . 1 65 65 ASP H H 1 8.31 0.05 . 1 . . . . . 65 ASP H . 53232 1 151 . 1 . 1 65 65 ASP C C 13 175.57 0.05 . 1 . . . . . 65 ASP C . 53232 1 152 . 1 . 1 65 65 ASP CA C 13 54.5 0.05 . 1 . . . . . 65 ASP CA . 53232 1 153 . 1 . 1 65 65 ASP CB C 13 41.28 0.05 . 1 . . . . . 65 ASP CB . 53232 1 154 . 1 . 1 65 65 ASP N N 15 124.92 0.05 . 1 . . . . . 65 ASP N . 53232 1 155 . 1 . 1 66 66 THR H H 1 7.62 0.05 . 1 . . . . . 66 THR H . 53232 1 156 . 1 . 1 66 66 THR C C 13 179.26 0.05 . 1 . . . . . 66 THR C . 53232 1 157 . 1 . 1 66 66 THR CA C 13 63.2 0.05 . 1 . . . . . 66 THR CA . 53232 1 158 . 1 . 1 66 66 THR CB C 13 70.82 0.05 . 1 . . . . . 66 THR CB . 53232 1 159 . 1 . 1 66 66 THR N N 15 119.09 0.05 . 1 . . . . . 66 THR N . 53232 1 160 . 1 . 1 68 68 TRP C C 13 176.39 0.05 . 1 . . . . . 68 TRP C . 53232 1 161 . 1 . 1 68 68 TRP CA C 13 58.38 0.05 . 1 . . . . . 68 TRP CA . 53232 1 162 . 1 . 1 68 68 TRP CB C 13 29.33 0.05 . 1 . . . . . 68 TRP CB . 53232 1 163 . 1 . 1 69 69 THR H H 1 7.56 0.05 . 1 . . . . . 69 THR H . 53232 1 164 . 1 . 1 69 69 THR C C 13 173.84 0.05 . 1 . . . . . 69 THR C . 53232 1 165 . 1 . 1 69 69 THR CA C 13 61.44 0.05 . 1 . . . . . 69 THR CA . 53232 1 166 . 1 . 1 69 69 THR CB C 13 69.84 0.05 . 1 . . . . . 69 THR CB . 53232 1 167 . 1 . 1 69 69 THR N N 15 114.86 0.05 . 1 . . . . . 69 THR N . 53232 1 168 . 1 . 1 70 70 ASP H H 1 7.89 0.05 . 1 . . . . . 70 ASP H . 53232 1 169 . 1 . 1 70 70 ASP C C 13 176.03 0.05 . 1 . . . . . 70 ASP C . 53232 1 170 . 1 . 1 70 70 ASP CA C 13 54.65 0.05 . 1 . . . . . 70 ASP CA . 53232 1 171 . 1 . 1 70 70 ASP CB C 13 41 0.05 . 1 . . . . . 70 ASP CB . 53232 1 172 . 1 . 1 70 70 ASP N N 15 121.62 0.05 . 1 . . . . . 70 ASP N . 53232 1 173 . 1 . 1 71 71 ASP C C 13 176.45 0.05 . 1 . . . . . 71 ASP C . 53232 1 174 . 1 . 1 71 71 ASP CA C 13 54.45 0.05 . 1 . . . . . 71 ASP CA . 53232 1 175 . 1 . 1 71 71 ASP CB C 13 40.92 0.05 . 1 . . . . . 71 ASP CB . 53232 1 176 . 1 . 1 72 72 GLN H H 1 8.14 0.05 . 1 . . . . . 72 GLN H . 53232 1 177 . 1 . 1 72 72 GLN C C 13 176.23 0.05 . 1 . . . . . 72 GLN C . 53232 1 178 . 1 . 1 72 72 GLN CA C 13 55.91 0.05 . 1 . . . . . 72 GLN CA . 53232 1 179 . 1 . 1 72 72 GLN CB C 13 29.13 0.05 . 1 . . . . . 72 GLN CB . 53232 1 180 . 1 . 1 72 72 GLN N N 15 120.2 0.05 . 1 . . . . . 72 GLN N . 53232 1 181 . 1 . 1 73 73 THR H H 1 8.04 0.05 . 1 . . . . . 73 THR H . 53232 1 182 . 1 . 1 73 73 THR C C 13 173.55 0.05 . 1 . . . . . 73 THR C . 53232 1 183 . 1 . 1 73 73 THR CA C 13 62.01 0.05 . 1 . . . . . 73 THR CA . 53232 1 184 . 1 . 1 73 73 THR CB C 13 69.9 0.05 . 1 . . . . . 73 THR CB . 53232 1 185 . 1 . 1 73 73 THR N N 15 115.11 0.05 . 1 . . . . . 73 THR N . 53232 1 186 . 1 . 1 74 74 ALA H H 1 7.83 0.05 . 1 . . . . . 74 ALA H . 53232 1 187 . 1 . 1 74 74 ALA C C 13 182.62 0.05 . 1 . . . . . 74 ALA C . 53232 1 188 . 1 . 1 74 74 ALA CA C 13 53.92 0.05 . 1 . . . . . 74 ALA CA . 53232 1 189 . 1 . 1 74 74 ALA CB C 13 20.09 0.05 . 1 . . . . . 74 ALA CB . 53232 1 190 . 1 . 1 74 74 ALA N N 15 132.06 0.05 . 1 . . . . . 74 ALA N . 53232 1 191 . 1 . 1 78 78 ASN C C 13 173.87 0.05 . 1 . . . . . 78 ASN C . 53232 1 192 . 1 . 1 78 78 ASN CA C 13 52.95 0.05 . 1 . . . . . 78 ASN CA . 53232 1 193 . 1 . 1 78 78 ASN CB C 13 38.96 0.05 . 1 . . . . . 78 ASN CB . 53232 1 194 . 1 . 1 79 79 TRP H H 1 7.89 0.05 . 1 . . . . . 79 TRP H . 53232 1 195 . 1 . 1 79 79 TRP C C 13 174.9 0.05 . 1 . . . . . 79 TRP C . 53232 1 196 . 1 . 1 79 79 TRP CA C 13 57.15 0.05 . 1 . . . . . 79 TRP CA . 53232 1 197 . 1 . 1 79 79 TRP CB C 13 29.58 0.05 . 1 . . . . . 79 TRP CB . 53232 1 198 . 1 . 1 79 79 TRP N N 15 121.25 0.05 . 1 . . . . . 79 TRP N . 53232 1 199 . 1 . 1 80 80 ILE H H 1 7.34 0.05 . 1 . . . . . 80 ILE H . 53232 1 200 . 1 . 1 80 80 ILE C C 13 180.77 0.05 . 1 . . . . . 80 ILE C . 53232 1 201 . 1 . 1 80 80 ILE CA C 13 62.87 0.05 . 1 . . . . . 80 ILE CA . 53232 1 202 . 1 . 1 80 80 ILE CB C 13 39.71 0.05 . 1 . . . . . 80 ILE CB . 53232 1 203 . 1 . 1 80 80 ILE N N 15 126.11 0.05 . 1 . . . . . 80 ILE N . 53232 1 204 . 1 . 1 82 82 GLN C C 13 175.47 0.05 . 1 . . . . . 82 GLN C . 53232 1 205 . 1 . 1 82 82 GLN CA C 13 55.89 0.05 . 1 . . . . . 82 GLN CA . 53232 1 206 . 1 . 1 82 82 GLN CB C 13 29.36 0.05 . 1 . . . . . 82 GLN CB . 53232 1 207 . 1 . 1 83 83 GLU H H 1 8.58 0.05 . 1 . . . . . 83 GLU H . 53232 1 208 . 1 . 1 83 83 GLU C C 13 176.16 0.05 . 1 . . . . . 83 GLU C . 53232 1 209 . 1 . 1 83 83 GLU CA C 13 56.38 0.05 . 1 . . . . . 83 GLU CA . 53232 1 210 . 1 . 1 83 83 GLU CB C 13 30.29 0.05 . 1 . . . . . 83 GLU CB . 53232 1 211 . 1 . 1 83 83 GLU N N 15 124.28 0.05 . 1 . . . . . 83 GLU N . 53232 1 212 . 1 . 1 84 84 ILE H H 1 8.17 0.05 . 1 . . . . . 84 ILE H . 53232 1 213 . 1 . 1 84 84 ILE C C 13 175.65 0.05 . 1 . . . . . 84 ILE C . 53232 1 214 . 1 . 1 84 84 ILE CA C 13 61 0.05 . 1 . . . . . 84 ILE CA . 53232 1 215 . 1 . 1 84 84 ILE CB C 13 39 0.05 . 1 . . . . . 84 ILE CB . 53232 1 216 . 1 . 1 84 84 ILE N N 15 121.63 0.05 . 1 . . . . . 84 ILE N . 53232 1 217 . 1 . 1 85 85 ASN H H 1 8.45 0.05 . 1 . . . . . 85 ASN H . 53232 1 218 . 1 . 1 85 85 ASN C C 13 174.47 0.05 . 1 . . . . . 85 ASN C . 53232 1 219 . 1 . 1 85 85 ASN CA C 13 52.97 0.05 . 1 . . . . . 85 ASN CA . 53232 1 220 . 1 . 1 85 85 ASN CB C 13 42.15 0.05 . 1 . . . . . 85 ASN CB . 53232 1 221 . 1 . 1 85 85 ASN N N 15 122.93 0.05 . 1 . . . . . 85 ASN N . 53232 1 222 . 1 . 1 87 87 PRO C C 13 176.15 0.05 . 1 . . . . . 87 PRO C . 53232 1 223 . 1 . 1 87 87 PRO CA C 13 63.3 0.05 . 1 . . . . . 87 PRO CA . 53232 1 224 . 1 . 1 87 87 PRO CB C 13 31.81 0.05 . 1 . . . . . 87 PRO CB . 53232 1 225 . 1 . 1 88 88 VAL H H 1 7.64 0.05 . 1 . . . . . 88 VAL H . 53232 1 226 . 1 . 1 88 88 VAL C C 13 181.33 0.05 . 1 . . . . . 88 VAL C . 53232 1 227 . 1 . 1 88 88 VAL CA C 13 63.56 0.05 . 1 . . . . . 88 VAL CA . 53232 1 228 . 1 . 1 88 88 VAL CB C 13 33.12 0.05 . 1 . . . . . 88 VAL CB . 53232 1 229 . 1 . 1 88 88 VAL N N 15 124.16 0.05 . 1 . . . . . 88 VAL N . 53232 1 230 . 1 . 1 89 89 ALA H H 1 7.88 0.05 . 1 . . . . . 89 ALA H . 53232 1 231 . 1 . 1 89 89 ALA C C 13 182.44 0.05 . 1 . . . . . 89 ALA C . 53232 1 232 . 1 . 1 89 89 ALA CA C 13 53.84 0.05 . 1 . . . . . 89 ALA CA . 53232 1 233 . 1 . 1 89 89 ALA CB C 13 20.2 0.05 . 1 . . . . . 89 ALA CB . 53232 1 234 . 1 . 1 89 89 ALA N N 15 133.29 0.05 . 1 . . . . . 89 ALA N . 53232 1 235 . 1 . 1 93 93 VAL C C 13 175.98 0.05 . 1 . . . . . 93 VAL C . 53232 1 236 . 1 . 1 93 93 VAL CA C 13 62.39 0.05 . 1 . . . . . 93 VAL CA . 53232 1 237 . 1 . 1 93 93 VAL CB C 13 32.52 0.05 . 1 . . . . . 93 VAL CB . 53232 1 238 . 1 . 1 94 94 THR H H 1 8.26 0.05 . 1 . . . . . 94 THR H . 53232 1 239 . 1 . 1 94 94 THR C C 13 174.01 0.05 . 1 . . . . . 94 THR C . 53232 1 240 . 1 . 1 94 94 THR CA C 13 61.62 0.05 . 1 . . . . . 94 THR CA . 53232 1 241 . 1 . 1 94 94 THR CB C 13 69.89 0.05 . 1 . . . . . 94 THR CB . 53232 1 242 . 1 . 1 94 94 THR N N 15 119.35 0.05 . 1 . . . . . 94 THR N . 53232 1 243 . 1 . 1 95 95 HIS H H 1 8.05 0.05 . 1 . . . . . 95 HIS H . 53232 1 244 . 1 . 1 95 95 HIS C C 13 174.47 0.05 . 1 . . . . . 95 HIS C . 53232 1 245 . 1 . 1 95 95 HIS CA C 13 57.68 0.05 . 1 . . . . . 95 HIS CA . 53232 1 246 . 1 . 1 95 95 HIS CB C 13 38.79 0.05 . 1 . . . . . 95 HIS CB . 53232 1 247 . 1 . 1 95 95 HIS N N 15 122.09 0.05 . 1 . . . . . 95 HIS N . 53232 1 248 . 1 . 1 96 96 ALA H H 1 7.73 0.05 . 1 . . . . . 96 ALA H . 53232 1 249 . 1 . 1 96 96 ALA C C 13 182.31 0.05 . 1 . . . . . 96 ALA C . 53232 1 250 . 1 . 1 96 96 ALA CA C 13 53.82 0.05 . 1 . . . . . 96 ALA CA . 53232 1 251 . 1 . 1 96 96 ALA CB C 13 20.24 0.05 . 1 . . . . . 96 ALA CB . 53232 1 252 . 1 . 1 96 96 ALA N N 15 130.71 0.05 . 1 . . . . . 96 ALA N . 53232 1 253 . 1 . 1 98 98 GLN C C 13 177.03 0.05 . 1 . . . . . 98 GLN C . 53232 1 254 . 1 . 1 98 98 GLN CA C 13 63.09 0.05 . 1 . . . . . 98 GLN CA . 53232 1 255 . 1 . 1 98 98 GLN CB C 13 32.18 0.05 . 1 . . . . . 98 GLN CB . 53232 1 256 . 1 . 1 99 99 ASP H H 1 8.18 0.05 . 1 . . . . . 99 ASP H . 53232 1 257 . 1 . 1 99 99 ASP C C 13 176.19 0.05 . 1 . . . . . 99 ASP C . 53232 1 258 . 1 . 1 99 99 ASP CA C 13 55.2 0.05 . 1 . . . . . 99 ASP CA . 53232 1 259 . 1 . 1 99 99 ASP CB C 13 42.25 0.05 . 1 . . . . . 99 ASP CB . 53232 1 260 . 1 . 1 99 99 ASP N N 15 122.09 0.05 . 1 . . . . . 99 ASP N . 53232 1 261 . 1 . 1 100 100 LYS H H 1 8.26 0.05 . 1 . . . . . 100 LYS H . 53232 1 262 . 1 . 1 100 100 LYS C C 13 176.75 0.05 . 1 . . . . . 100 LYS C . 53232 1 263 . 1 . 1 100 100 LYS CA C 13 55.56 0.05 . 1 . . . . . 100 LYS CA . 53232 1 264 . 1 . 1 100 100 LYS CB C 13 32.72 0.05 . 1 . . . . . 100 LYS CB . 53232 1 265 . 1 . 1 100 100 LYS N N 15 121.81 0.05 . 1 . . . . . 100 LYS N . 53232 1 266 . 1 . 1 101 101 MET H H 1 8.3 0.05 . 1 . . . . . 101 MET H . 53232 1 267 . 1 . 1 101 101 MET C C 13 177 0.05 . 1 . . . . . 101 MET C . 53232 1 268 . 1 . 1 101 101 MET CA C 13 55.58 0.05 . 1 . . . . . 101 MET CA . 53232 1 269 . 1 . 1 101 101 MET CB C 13 32.21 0.05 . 1 . . . . . 101 MET CB . 53232 1 270 . 1 . 1 101 101 MET N N 15 120.35 0.05 . 1 . . . . . 101 MET N . 53232 1 271 . 1 . 1 102 102 GLY H H 1 8.31 0.05 . 1 . . . . . 102 GLY H . 53232 1 272 . 1 . 1 102 102 GLY C C 13 174.75 0.05 . 1 . . . . . 102 GLY C . 53232 1 273 . 1 . 1 102 102 GLY CA C 13 45.43 0.05 . 1 . . . . . 102 GLY CA . 53232 1 274 . 1 . 1 102 102 GLY N N 15 109.89 0.05 . 1 . . . . . 102 GLY N . 53232 1 275 . 1 . 1 103 103 GLY H H 1 8.23 0.05 . 1 . . . . . 103 GLY H . 53232 1 276 . 1 . 1 103 103 GLY C C 13 174.61 0.05 . 1 . . . . . 103 GLY C . 53232 1 277 . 1 . 1 103 103 GLY CA C 13 45.35 0.05 . 1 . . . . . 103 GLY CA . 53232 1 278 . 1 . 1 103 103 GLY N N 15 108.56 0.05 . 1 . . . . . 103 GLY N . 53232 1 279 . 1 . 1 104 104 MET H H 1 8.2 0.05 . 1 . . . . . 104 MET H . 53232 1 280 . 1 . 1 104 104 MET C C 13 176.28 0.05 . 1 . . . . . 104 MET C . 53232 1 281 . 1 . 1 104 104 MET CA C 13 55.79 0.05 . 1 . . . . . 104 MET CA . 53232 1 282 . 1 . 1 104 104 MET CB C 13 32.78 0.05 . 1 . . . . . 104 MET CB . 53232 1 283 . 1 . 1 104 104 MET N N 15 119.55 0.05 . 1 . . . . . 104 MET N . 53232 1 284 . 1 . 1 105 105 ASP H H 1 8.28 0.05 . 1 . . . . . 105 ASP H . 53232 1 285 . 1 . 1 105 105 ASP C C 13 176.22 0.05 . 1 . . . . . 105 ASP C . 53232 1 286 . 1 . 1 105 105 ASP CA C 13 54.49 0.05 . 1 . . . . . 105 ASP CA . 53232 1 287 . 1 . 1 105 105 ASP CB C 13 41 0.05 . 1 . . . . . 105 ASP CB . 53232 1 288 . 1 . 1 105 105 ASP N N 15 120.92 0.05 . 1 . . . . . 105 ASP N . 53232 1 289 . 1 . 1 106 106 ALA H H 1 8.05 0.05 . 1 . . . . . 106 ALA H . 53232 1 290 . 1 . 1 106 106 ALA C C 13 177.9 0.05 . 1 . . . . . 106 ALA C . 53232 1 291 . 1 . 1 106 106 ALA CA C 13 52.85 0.05 . 1 . . . . . 106 ALA CA . 53232 1 292 . 1 . 1 106 106 ALA CB C 13 18.96 0.05 . 1 . . . . . 106 ALA CB . 53232 1 293 . 1 . 1 106 106 ALA N N 15 123.61 0.05 . 1 . . . . . 106 ALA N . 53232 1 294 . 1 . 1 107 107 LEU H H 1 7.96 0.05 . 1 . . . . . 107 LEU H . 53232 1 295 . 1 . 1 107 107 LEU C C 13 177.32 0.05 . 1 . . . . . 107 LEU C . 53232 1 296 . 1 . 1 107 107 LEU CA C 13 55.42 0.05 . 1 . . . . . 107 LEU CA . 53232 1 297 . 1 . 1 107 107 LEU CB C 13 42.05 0.05 . 1 . . . . . 107 LEU CB . 53232 1 298 . 1 . 1 107 107 LEU N N 15 119.71 0.05 . 1 . . . . . 107 LEU N . 53232 1 299 . 1 . 1 108 108 HIS H H 1 8.08 0.05 . 1 . . . . . 108 HIS H . 53232 1 300 . 1 . 1 108 108 HIS C C 13 174.02 0.05 . 1 . . . . . 108 HIS C . 53232 1 301 . 1 . 1 108 108 HIS CA C 13 55.3 0.05 . 1 . . . . . 108 HIS CA . 53232 1 302 . 1 . 1 108 108 HIS CB C 13 29.32 0.05 . 1 . . . . . 108 HIS CB . 53232 1 303 . 1 . 1 108 108 HIS N N 15 118.69 0.05 . 1 . . . . . 108 HIS N . 53232 1 304 . 1 . 1 109 109 ALA H H 1 8.12 0.05 . 1 . . . . . 109 ALA H . 53232 1 305 . 1 . 1 109 109 ALA C C 13 176.38 0.05 . 1 . . . . . 109 ALA C . 53232 1 306 . 1 . 1 109 109 ALA CA C 13 52.48 0.05 . 1 . . . . . 109 ALA CA . 53232 1 307 . 1 . 1 109 109 ALA CB C 13 19.26 0.05 . 1 . . . . . 109 ALA CB . 53232 1 308 . 1 . 1 109 109 ALA N N 15 125.86 0.05 . 1 . . . . . 109 ALA N . 53232 1 309 . 1 . 1 110 110 ALA H H 1 7.87 0.05 . 1 . . . . . 110 ALA H . 53232 1 310 . 1 . 1 110 110 ALA C C 13 182.64 0.05 . 1 . . . . . 110 ALA C . 53232 1 311 . 1 . 1 110 110 ALA CA C 13 53.84 0.05 . 1 . . . . . 110 ALA CA . 53232 1 312 . 1 . 1 110 110 ALA CB C 13 19.93 0.05 . 1 . . . . . 110 ALA CB . 53232 1 313 . 1 . 1 110 110 ALA N N 15 129.35 0.05 . 1 . . . . . 110 ALA N . 53232 1 314 . 1 . 1 112 112 ILE C C 13 181.28 0.05 . 1 . . . . . 112 ILE C . 53232 1 315 . 1 . 1 112 112 ILE CA C 13 62.74 0.05 . 1 . . . . . 112 ILE CA . 53232 1 316 . 1 . 1 112 112 ILE CB C 13 39.42 0.05 . 1 . . . . . 112 ILE CB . 53232 1 317 . 1 . 1 113 113 ALA H H 1 8.35 0.05 . 1 . . . . . 113 ALA H . 53232 1 318 . 1 . 1 113 113 ALA C C 13 177.45 0.05 . 1 . . . . . 113 ALA C . 53232 1 319 . 1 . 1 113 113 ALA CA C 13 52.38 0.05 . 1 . . . . . 113 ALA CA . 53232 1 320 . 1 . 1 113 113 ALA CB C 13 19.25 0.05 . 1 . . . . . 113 ALA CB . 53232 1 321 . 1 . 1 113 113 ALA N N 15 128.13 0.05 . 1 . . . . . 113 ALA N . 53232 1 322 . 1 . 1 114 114 THR H H 1 7.89 0.05 . 1 . . . . . 114 THR H . 53232 1 323 . 1 . 1 114 114 THR C C 13 173.95 0.05 . 1 . . . . . 114 THR C . 53232 1 324 . 1 . 1 114 114 THR CA C 13 61.73 0.05 . 1 . . . . . 114 THR CA . 53232 1 325 . 1 . 1 114 114 THR CB C 13 69.71 0.05 . 1 . . . . . 114 THR CB . 53232 1 326 . 1 . 1 114 114 THR N N 15 113.72 0.05 . 1 . . . . . 114 THR N . 53232 1 327 . 1 . 1 115 115 TYR H H 1 8.09 0.05 . 1 . . . . . 115 TYR H . 53232 1 328 . 1 . 1 115 115 TYR C C 13 174.61 0.05 . 1 . . . . . 115 TYR C . 53232 1 329 . 1 . 1 115 115 TYR CA C 13 57.63 0.05 . 1 . . . . . 115 TYR CA . 53232 1 330 . 1 . 1 115 115 TYR CB C 13 38.84 0.05 . 1 . . . . . 115 TYR CB . 53232 1 331 . 1 . 1 115 115 TYR N N 15 122.22 0.05 . 1 . . . . . 115 TYR N . 53232 1 332 . 1 . 1 116 116 ALA H H 1 7.79 0.05 . 1 . . . . . 116 ALA H . 53232 1 333 . 1 . 1 116 116 ALA C C 13 182.32 0.05 . 1 . . . . . 116 ALA C . 53232 1 334 . 1 . 1 116 116 ALA CA C 13 53.8 0.05 . 1 . . . . . 116 ALA CA . 53232 1 335 . 1 . 1 116 116 ALA CB C 13 20.23 0.05 . 1 . . . . . 116 ALA CB . 53232 1 336 . 1 . 1 116 116 ALA N N 15 130.63 0.05 . 1 . . . . . 116 ALA N . 53232 1 337 . 1 . 1 118 118 ALA C C 13 177.74 0.05 . 1 . . . . . 118 ALA C . 53232 1 338 . 1 . 1 118 118 ALA CA C 13 52.82 0.05 . 1 . . . . . 118 ALA CA . 53232 1 339 . 1 . 1 118 118 ALA CB C 13 18.9 0.05 . 1 . . . . . 118 ALA CB . 53232 1 340 . 1 . 1 119 119 LEU H H 1 8.17 0.05 . 1 . . . . . 119 LEU H . 53232 1 341 . 1 . 1 119 119 LEU C C 13 177.78 0.05 . 1 . . . . . 119 LEU C . 53232 1 342 . 1 . 1 119 119 LEU CA C 13 55.31 0.05 . 1 . . . . . 119 LEU CA . 53232 1 343 . 1 . 1 119 119 LEU CB C 13 42.31 0.05 . 1 . . . . . 119 LEU CB . 53232 1 344 . 1 . 1 119 119 LEU N N 15 120.73 0.05 . 1 . . . . . 119 LEU N . 53232 1 345 . 1 . 1 120 120 SER H H 1 8.1 0.05 . 1 . . . . . 120 SER H . 53232 1 346 . 1 . 1 120 120 SER C C 13 174.53 0.05 . 1 . . . . . 120 SER C . 53232 1 347 . 1 . 1 120 120 SER CA C 13 58.49 0.05 . 1 . . . . . 120 SER CA . 53232 1 348 . 1 . 1 120 120 SER CB C 13 63.61 0.05 . 1 . . . . . 120 SER CB . 53232 1 349 . 1 . 1 120 120 SER N N 15 115.79 0.05 . 1 . . . . . 120 SER N . 53232 1 350 . 1 . 1 121 121 ASN C C 13 175.14 0.05 . 1 . . . . . 121 ASN C . 53232 1 351 . 1 . 1 121 121 ASN CA C 13 53.31 0.05 . 1 . . . . . 121 ASN CA . 53232 1 352 . 1 . 1 121 121 ASN CB C 13 38.7 0.05 . 1 . . . . . 121 ASN CB . 53232 1 353 . 1 . 1 122 122 GLN H H 1 8.27 0.05 . 1 . . . . . 122 GLN H . 53232 1 354 . 1 . 1 122 122 GLN C C 13 175.82 0.05 . 1 . . . . . 122 GLN C . 53232 1 355 . 1 . 1 122 122 GLN CA C 13 55.92 0.05 . 1 . . . . . 122 GLN CA . 53232 1 356 . 1 . 1 122 122 GLN CB C 13 29.34 0.05 . 1 . . . . . 122 GLN CB . 53232 1 357 . 1 . 1 122 122 GLN N N 15 120.27 0.05 . 1 . . . . . 122 GLN N . 53232 1 358 . 1 . 1 123 123 LEU H H 1 8.09 0.05 . 1 . . . . . 123 LEU H . 53232 1 359 . 1 . 1 123 123 LEU C C 13 176.81 0.05 . 1 . . . . . 123 LEU C . 53232 1 360 . 1 . 1 123 123 LEU CA C 13 54.98 0.05 . 1 . . . . . 123 LEU CA . 53232 1 361 . 1 . 1 123 123 LEU CB C 13 42.26 0.05 . 1 . . . . . 123 LEU CB . 53232 1 362 . 1 . 1 123 123 LEU N N 15 122.84 0.05 . 1 . . . . . 123 LEU N . 53232 1 363 . 1 . 1 124 124 ALA H H 1 8.12 0.05 . 1 . . . . . 124 ALA H . 53232 1 364 . 1 . 1 124 124 ALA C C 13 175.42 0.05 . 1 . . . . . 124 ALA C . 53232 1 365 . 1 . 1 124 124 ALA CA C 13 50.49 0.05 . 1 . . . . . 124 ALA CA . 53232 1 366 . 1 . 1 124 124 ALA CB C 13 18.04 0.05 . 1 . . . . . 124 ALA CB . 53232 1 367 . 1 . 1 124 124 ALA N N 15 125.95 0.05 . 1 . . . . . 124 ALA N . 53232 1 368 . 1 . 1 125 125 PRO C C 13 177.16 0.05 . 1 . . . . . 125 PRO C . 53232 1 369 . 1 . 1 125 125 PRO CA C 13 63.21 0.05 . 1 . . . . . 125 PRO CA . 53232 1 370 . 1 . 1 125 125 PRO CB C 13 31.89 0.05 . 1 . . . . . 125 PRO CB . 53232 1 371 . 1 . 1 126 126 GLN H H 1 8.39 0.05 . 1 . . . . . 126 GLN H . 53232 1 372 . 1 . 1 126 126 GLN C C 13 176.14 0.05 . 1 . . . . . 126 GLN C . 53232 1 373 . 1 . 1 126 126 GLN CA C 13 55.8 0.05 . 1 . . . . . 126 GLN CA . 53232 1 374 . 1 . 1 126 126 GLN CB C 13 29.39 0.05 . 1 . . . . . 126 GLN CB . 53232 1 375 . 1 . 1 126 126 GLN N N 15 120.53 0.05 . 1 . . . . . 126 GLN N . 53232 1 376 . 1 . 1 127 127 GLU H H 1 8.38 0.05 . 1 . . . . . 127 GLU H . 53232 1 377 . 1 . 1 127 127 GLU C C 13 177.01 0.05 . 1 . . . . . 127 GLU C . 53232 1 378 . 1 . 1 127 127 GLU CA C 13 56.96 0.05 . 1 . . . . . 127 GLU CA . 53232 1 379 . 1 . 1 127 127 GLU CB C 13 29.98 0.05 . 1 . . . . . 127 GLU CB . 53232 1 380 . 1 . 1 127 127 GLU N N 15 122.33 0.05 . 1 . . . . . 127 GLU N . 53232 1 381 . 1 . 1 128 128 GLY H H 1 8.39 0.05 . 1 . . . . . 128 GLY H . 53232 1 382 . 1 . 1 128 128 GLY C C 13 174.06 0.05 . 1 . . . . . 128 GLY C . 53232 1 383 . 1 . 1 128 128 GLY CA C 13 45.31 0.05 . 1 . . . . . 128 GLY CA . 53232 1 384 . 1 . 1 128 128 GLY N N 15 110.09 0.05 . 1 . . . . . 128 GLY N . 53232 1 385 . 1 . 1 129 129 MET H H 1 8.02 0.05 . 1 . . . . . 129 MET H . 53232 1 386 . 1 . 1 129 129 MET C C 13 176.15 0.05 . 1 . . . . . 129 MET C . 53232 1 387 . 1 . 1 129 129 MET CA C 13 55.44 0.05 . 1 . . . . . 129 MET CA . 53232 1 388 . 1 . 1 129 129 MET CB C 13 33.05 0.05 . 1 . . . . . 129 MET CB . 53232 1 389 . 1 . 1 129 129 MET N N 15 119.88 0.05 . 1 . . . . . 129 MET N . 53232 1 390 . 1 . 1 130 130 VAL H H 1 8.09 0.05 . 1 . . . . . 130 VAL H . 53232 1 391 . 1 . 1 130 130 VAL C C 13 175.64 0.05 . 1 . . . . . 130 VAL C . 53232 1 392 . 1 . 1 130 130 VAL CA C 13 62.15 0.05 . 1 . . . . . 130 VAL CA . 53232 1 393 . 1 . 1 130 130 VAL CB C 13 32.8 0.05 . 1 . . . . . 130 VAL CB . 53232 1 394 . 1 . 1 130 130 VAL N N 15 122.11 0.05 . 1 . . . . . 130 VAL N . 53232 1 395 . 1 . 1 131 131 ALA H H 1 8.31 0.05 . 1 . . . . . 131 ALA H . 53232 1 396 . 1 . 1 131 131 ALA C C 13 176.27 0.05 . 1 . . . . . 131 ALA C . 53232 1 397 . 1 . 1 131 131 ALA CA C 13 52.37 0.05 . 1 . . . . . 131 ALA CA . 53232 1 398 . 1 . 1 131 131 ALA CB C 13 19.27 0.05 . 1 . . . . . 131 ALA CB . 53232 1 399 . 1 . 1 131 131 ALA N N 15 129.17 0.05 . 1 . . . . . 131 ALA N . 53232 1 400 . 1 . 1 132 132 ALA H H 1 7.83 0.05 . 1 . . . . . 132 ALA H . 53232 1 401 . 1 . 1 132 132 ALA C C 13 182.64 0.05 . 1 . . . . . 132 ALA C . 53232 1 402 . 1 . 1 132 132 ALA CA C 13 53.79 0.05 . 1 . . . . . 132 ALA CA . 53232 1 403 . 1 . 1 132 132 ALA CB C 13 20.2 0.05 . 1 . . . . . 132 ALA CB . 53232 1 404 . 1 . 1 132 132 ALA N N 15 129.78 0.05 . 1 . . . . . 132 ALA N . 53232 1 405 . 1 . 1 135 135 SER C C 13 174.35 0.05 . 1 . . . . . 135 SER C . 53232 1 406 . 1 . 1 135 135 SER CA C 13 58.14 0.05 . 1 . . . . . 135 SER CA . 53232 1 407 . 1 . 1 135 135 SER CB C 13 63.89 0.05 . 1 . . . . . 135 SER CB . 53232 1 408 . 1 . 1 136 136 LEU H H 1 8.39 0.05 . 1 . . . . . 136 LEU H . 53232 1 409 . 1 . 1 136 136 LEU C C 13 177.28 0.05 . 1 . . . . . 136 LEU C . 53232 1 410 . 1 . 1 136 136 LEU CA C 13 55.34 0.05 . 1 . . . . . 136 LEU CA . 53232 1 411 . 1 . 1 136 136 LEU CB C 13 42.25 0.05 . 1 . . . . . 136 LEU CB . 53232 1 412 . 1 . 1 136 136 LEU N N 15 124.25 0.05 . 1 . . . . . 136 LEU N . 53232 1 413 . 1 . 1 137 137 THR H H 1 7.86 0.05 . 1 . . . . . 137 THR H . 53232 1 414 . 1 . 1 137 137 THR C C 13 173.92 0.05 . 1 . . . . . 137 THR C . 53232 1 415 . 1 . 1 137 137 THR CA C 13 61.67 0.05 . 1 . . . . . 137 THR CA . 53232 1 416 . 1 . 1 137 137 THR CB C 13 69.89 0.05 . 1 . . . . . 137 THR CB . 53232 1 417 . 1 . 1 137 137 THR N N 15 114.22 0.05 . 1 . . . . . 137 THR N . 53232 1 418 . 1 . 1 138 138 PHE H H 1 8.05 0.05 . 1 . . . . . 138 PHE H . 53232 1 419 . 1 . 1 138 138 PHE C C 13 175.19 0.05 . 1 . . . . . 138 PHE C . 53232 1 420 . 1 . 1 138 138 PHE CA C 13 57.7 0.05 . 1 . . . . . 138 PHE CA . 53232 1 421 . 1 . 1 138 138 PHE CB C 13 38.79 0.05 . 1 . . . . . 138 PHE CB . 53232 1 422 . 1 . 1 138 138 PHE N N 15 121.68 0.05 . 1 . . . . . 138 PHE N . 53232 1 423 . 1 . 1 139 139 ALA H H 1 8.08 0.05 . 1 . . . . . 139 ALA H . 53232 1 424 . 1 . 1 139 139 ALA C C 13 175.88 0.05 . 1 . . . . . 139 ALA C . 53232 1 425 . 1 . 1 139 139 ALA CA C 13 52.15 0.05 . 1 . . . . . 139 ALA CA . 53232 1 426 . 1 . 1 139 139 ALA CB C 13 19.27 0.05 . 1 . . . . . 139 ALA CB . 53232 1 427 . 1 . 1 139 139 ALA N N 15 126.86 0.05 . 1 . . . . . 139 ALA N . 53232 1 428 . 1 . 1 140 140 ALA H H 1 7.72 0.05 . 1 . . . . . 140 ALA H . 53232 1 429 . 1 . 1 140 140 ALA C C 13 182.69 0.05 . 1 . . . . . 140 ALA C . 53232 1 430 . 1 . 1 140 140 ALA CA C 13 53.8 0.05 . 1 . . . . . 140 ALA CA . 53232 1 431 . 1 . 1 140 140 ALA CB C 13 19.91 0.05 . 1 . . . . . 140 ALA CB . 53232 1 432 . 1 . 1 140 140 ALA N N 15 129.48 0.05 . 1 . . . . . 140 ALA N . 53232 1 433 . 1 . 1 141 141 ASN C C 13 175.42 0.05 . 1 . . . . . 141 ASN C . 53232 1 434 . 1 . 1 141 141 ASN CA C 13 53.54 0.05 . 1 . . . . . 141 ASN CA . 53232 1 435 . 1 . 1 141 141 ASN CB C 13 38.75 0.05 . 1 . . . . . 141 ASN CB . 53232 1 436 . 1 . 1 142 142 GLY C C 13 173.61 0.05 . 1 . . . . . 142 GLY C . 53232 1 437 . 1 . 1 142 142 GLY CA C 13 45.3 0.05 . 1 . . . . . 142 GLY CA . 53232 1 438 . 1 . 1 143 143 TRP H H 1 7.91 0.05 . 1 . . . . . 143 TRP H . 53232 1 439 . 1 . 1 143 143 TRP C C 13 175.75 0.05 . 1 . . . . . 143 TRP C . 53232 1 440 . 1 . 1 143 143 TRP CA C 13 57.58 0.05 . 1 . . . . . 143 TRP CA . 53232 1 441 . 1 . 1 143 143 TRP CB C 13 29.68 0.05 . 1 . . . . . 143 TRP CB . 53232 1 442 . 1 . 1 143 143 TRP N N 15 121.38 0.05 . 1 . . . . . 143 TRP N . 53232 1 443 . 1 . 1 144 144 VAL H H 1 7.54 0.05 . 1 . . . . . 144 VAL H . 53232 1 444 . 1 . 1 144 144 VAL C C 13 181.2 0.05 . 1 . . . . . 144 VAL C . 53232 1 445 . 1 . 1 144 144 VAL CA C 13 61.31 0.05 . 1 . . . . . 144 VAL CA . 53232 1 446 . 1 . 1 144 144 VAL CB C 13 33.42 0.05 . 1 . . . . . 144 VAL CB . 53232 1 447 . 1 . 1 144 144 VAL N N 15 124.32 0.05 . 1 . . . . . 144 VAL N . 53232 1 448 . 1 . 1 146 146 PRO C C 13 176.76 0.05 . 1 . . . . . 146 PRO C . 53232 1 449 . 1 . 1 146 146 PRO CA C 13 63.1 0.05 . 1 . . . . . 146 PRO CA . 53232 1 450 . 1 . 1 146 146 PRO CB C 13 32.07 0.05 . 1 . . . . . 146 PRO CB . 53232 1 451 . 1 . 1 147 147 ALA H H 1 8.31 0.05 . 1 . . . . . 147 ALA H . 53232 1 452 . 1 . 1 147 147 ALA C C 13 178.01 0.05 . 1 . . . . . 147 ALA C . 53232 1 453 . 1 . 1 147 147 ALA CA C 13 52.51 0.05 . 1 . . . . . 147 ALA CA . 53232 1 454 . 1 . 1 147 147 ALA CB C 13 18.97 0.05 . 1 . . . . . 147 ALA CB . 53232 1 455 . 1 . 1 147 147 ALA N N 15 124.06 0.05 . 1 . . . . . 147 ALA N . 53232 1 456 . 1 . 1 148 148 THR H H 1 7.94 0.05 . 1 . . . . . 148 THR H . 53232 1 457 . 1 . 1 148 148 THR C C 13 173.98 0.05 . 1 . . . . . 148 THR C . 53232 1 458 . 1 . 1 148 148 THR CA C 13 61.95 0.05 . 1 . . . . . 148 THR CA . 53232 1 459 . 1 . 1 148 148 THR CB C 13 69.92 0.05 . 1 . . . . . 148 THR CB . 53232 1 460 . 1 . 1 148 148 THR N N 15 113.07 0.05 . 1 . . . . . 148 THR N . 53232 1 461 . 1 . 1 149 149 ALA H H 1 8.17 0.05 . 1 . . . . . 149 ALA H . 53232 1 462 . 1 . 1 149 149 ALA C C 13 175.54 0.05 . 1 . . . . . 149 ALA C . 53232 1 463 . 1 . 1 149 149 ALA CA C 13 50.61 0.05 . 1 . . . . . 149 ALA CA . 53232 1 464 . 1 . 1 149 149 ALA CB C 13 18.05 0.05 . 1 . . . . . 149 ALA CB . 53232 1 465 . 1 . 1 149 149 ALA N N 15 127.84 0.05 . 1 . . . . . 149 ALA N . 53232 1 466 . 1 . 1 151 151 ASN C C 13 174.79 0.05 . 1 . . . . . 151 ASN C . 53232 1 467 . 1 . 1 151 151 ASN CA C 13 52.97 0.05 . 1 . . . . . 151 ASN CA . 53232 1 468 . 1 . 1 151 151 ASN CB C 13 38.79 0.05 . 1 . . . . . 151 ASN CB . 53232 1 469 . 1 . 1 152 152 PHE H H 1 8.1 0.05 . 1 . . . . . 152 PHE H . 53232 1 470 . 1 . 1 152 152 PHE C C 13 175.87 0.05 . 1 . . . . . 152 PHE C . 53232 1 471 . 1 . 1 152 152 PHE CA C 13 57.66 0.05 . 1 . . . . . 152 PHE CA . 53232 1 472 . 1 . 1 152 152 PHE CB C 13 39.71 0.05 . 1 . . . . . 152 PHE CB . 53232 1 473 . 1 . 1 152 152 PHE N N 15 120.79 0.05 . 1 . . . . . 152 PHE N . 53232 1 474 . 1 . 1 153 153 GLY H H 1 8.07 0.05 . 1 . . . . . 153 GLY H . 53232 1 475 . 1 . 1 153 153 GLY C C 13 171.65 0.05 . 1 . . . . . 153 GLY C . 53232 1 476 . 1 . 1 153 153 GLY CA C 13 44.62 0.05 . 1 . . . . . 153 GLY CA . 53232 1 477 . 1 . 1 153 153 GLY N N 15 110.38 0.05 . 1 . . . . . 153 GLY N . 53232 1 478 . 1 . 1 155 155 LEU C C 13 177.2 0.05 . 1 . . . . . 155 LEU C . 53232 1 479 . 1 . 1 155 155 LEU CA C 13 55.2 0.05 . 1 . . . . . 155 LEU CA . 53232 1 480 . 1 . 1 155 155 LEU CB C 13 42.26 0.05 . 1 . . . . . 155 LEU CB . 53232 1 481 . 1 . 1 156 156 LYS H H 1 8.16 0.05 . 1 . . . . . 156 LYS H . 53232 1 482 . 1 . 1 156 156 LYS C C 13 175.43 0.05 . 1 . . . . . 156 LYS C . 53232 1 483 . 1 . 1 156 156 LYS CA C 13 56.18 0.05 . 1 . . . . . 156 LYS CA . 53232 1 484 . 1 . 1 156 156 LYS CB C 13 32.77 0.05 . 1 . . . . . 156 LYS CB . 53232 1 485 . 1 . 1 156 156 LYS N N 15 123.44 0.05 . 1 . . . . . 156 LYS N . 53232 1 486 . 1 . 1 157 157 VAL H H 1 7.65 0.05 . 1 . . . . . 157 VAL H . 53232 1 487 . 1 . 1 157 157 VAL C C 13 181.11 0.05 . 1 . . . . . 157 VAL C . 53232 1 488 . 1 . 1 157 157 VAL CA C 13 63.56 0.05 . 1 . . . . . 157 VAL CA . 53232 1 489 . 1 . 1 157 157 VAL CB C 13 33.12 0.05 . 1 . . . . . 157 VAL CB . 53232 1 490 . 1 . 1 157 157 VAL N N 15 126.21 0.05 . 1 . . . . . 157 VAL N . 53232 1 491 . 1 . 1 160 160 PRO C C 13 177.8 0.05 . 1 . . . . . 160 PRO C . 53232 1 492 . 1 . 1 160 160 PRO CA C 13 63.43 0.05 . 1 . . . . . 160 PRO CA . 53232 1 493 . 1 . 1 160 160 PRO CB C 13 32.11 0.05 . 1 . . . . . 160 PRO CB . 53232 1 494 . 1 . 1 161 161 GLY H H 1 8.43 0.05 . 1 . . . . . 161 GLY H . 53232 1 495 . 1 . 1 161 161 GLY C C 13 174.01 0.05 . 1 . . . . . 161 GLY C . 53232 1 496 . 1 . 1 161 161 GLY CA C 13 45.21 0.05 . 1 . . . . . 161 GLY CA . 53232 1 497 . 1 . 1 161 161 GLY N N 15 109.26 0.05 . 1 . . . . . 161 GLY N . 53232 1 498 . 1 . 1 162 162 PRO C C 13 177.87 0.05 . 1 . . . . . 162 PRO C . 53232 1 499 . 1 . 1 162 162 PRO CA C 13 63.46 0.05 . 1 . . . . . 162 PRO CA . 53232 1 500 . 1 . 1 162 162 PRO CB C 13 32.09 0.05 . 1 . . . . . 162 PRO CB . 53232 1 501 . 1 . 1 163 163 GLY H H 1 8.46 0.05 . 1 . . . . . 163 GLY H . 53232 1 502 . 1 . 1 163 163 GLY C C 13 174.07 0.05 . 1 . . . . . 163 GLY C . 53232 1 503 . 1 . 1 163 163 GLY CA C 13 45.23 0.05 . 1 . . . . . 163 GLY CA . 53232 1 504 . 1 . 1 163 163 GLY N N 15 109.19 0.05 . 1 . . . . . 163 GLY N . 53232 1 505 . 1 . 1 164 164 HIS H H 1 8.17 0.05 . 1 . . . . . 164 HIS H . 53232 1 506 . 1 . 1 164 164 HIS C C 13 175.08 0.05 . 1 . . . . . 164 HIS C . 53232 1 507 . 1 . 1 164 164 HIS CA C 13 55.57 0.05 . 1 . . . . . 164 HIS CA . 53232 1 508 . 1 . 1 164 164 HIS CB C 13 29.65 0.05 . 1 . . . . . 164 HIS CB . 53232 1 509 . 1 . 1 164 164 HIS N N 15 118.46 0.05 . 1 . . . . . 164 HIS N . 53232 1 510 . 1 . 1 165 165 THR H H 1 8.14 0.05 . 1 . . . . . 165 THR H . 53232 1 511 . 1 . 1 165 165 THR C C 13 174.69 0.05 . 1 . . . . . 165 THR C . 53232 1 512 . 1 . 1 165 165 THR CA C 13 61.91 0.05 . 1 . . . . . 165 THR CA . 53232 1 513 . 1 . 1 165 165 THR CB C 13 69.89 0.05 . 1 . . . . . 165 THR CB . 53232 1 514 . 1 . 1 165 165 THR N N 15 115.28 0.05 . 1 . . . . . 165 THR N . 53232 1 515 . 1 . 1 166 166 SER H H 1 8.32 0.05 . 1 . . . . . 166 SER H . 53232 1 516 . 1 . 1 166 166 SER C C 13 174.23 0.05 . 1 . . . . . 166 SER C . 53232 1 517 . 1 . 1 166 166 SER CA C 13 58.39 0.05 . 1 . . . . . 166 SER CA . 53232 1 518 . 1 . 1 166 166 SER CB C 13 63.88 0.05 . 1 . . . . . 166 SER CB . 53232 1 519 . 1 . 1 166 166 SER N N 15 117.31 0.05 . 1 . . . . . 166 SER N . 53232 1 520 . 1 . 1 167 167 ASP H H 1 8.2 0.05 . 1 . . . . . 167 ASP H . 53232 1 521 . 1 . 1 167 167 ASP C C 13 175.91 0.05 . 1 . . . . . 167 ASP C . 53232 1 522 . 1 . 1 167 167 ASP CA C 13 54.51 0.05 . 1 . . . . . 167 ASP CA . 53232 1 523 . 1 . 1 167 167 ASP CB C 13 40.95 0.05 . 1 . . . . . 167 ASP CB . 53232 1 524 . 1 . 1 167 167 ASP N N 15 121.88 0.05 . 1 . . . . . 167 ASP N . 53232 1 525 . 1 . 1 168 168 ASN H H 1 8.23 0.05 . 1 . . . . . 168 ASN H . 53232 1 526 . 1 . 1 168 168 ASN C C 13 174.88 0.05 . 1 . . . . . 168 ASN C . 53232 1 527 . 1 . 1 168 168 ASN CA C 13 53.25 0.05 . 1 . . . . . 168 ASN CA . 53232 1 528 . 1 . 1 168 168 ASN CB C 13 38.83 0.05 . 1 . . . . . 168 ASN CB . 53232 1 529 . 1 . 1 168 168 ASN N N 15 118.18 0.05 . 1 . . . . . 168 ASN N . 53232 1 530 . 1 . 1 169 169 ILE H H 1 7.99 0.05 . 1 . . . . . 169 ILE H . 53232 1 531 . 1 . 1 169 169 ILE C C 13 176.43 0.05 . 1 . . . . . 169 ILE C . 53232 1 532 . 1 . 1 169 169 ILE CA C 13 61.2 0.05 . 1 . . . . . 169 ILE CA . 53232 1 533 . 1 . 1 169 169 ILE CB C 13 38.79 0.05 . 1 . . . . . 169 ILE CB . 53232 1 534 . 1 . 1 169 169 ILE N N 15 120.93 0.05 . 1 . . . . . 169 ILE N . 53232 1 535 . 1 . 1 170 170 THR H H 1 8.23 0.05 . 1 . . . . . 170 THR H . 53232 1 536 . 1 . 1 170 170 THR C C 13 173.68 0.05 . 1 . . . . . 170 THR C . 53232 1 537 . 1 . 1 170 170 THR CA C 13 61.92 0.05 . 1 . . . . . 170 THR CA . 53232 1 538 . 1 . 1 170 170 THR CB C 13 69.9 0.05 . 1 . . . . . 170 THR CB . 53232 1 539 . 1 . 1 170 170 THR N N 15 119.89 0.05 . 1 . . . . . 170 THR N . 53232 1 540 . 1 . 1 171 171 VAL H H 1 7.71 0.05 . 1 . . . . . 171 VAL H . 53232 1 541 . 1 . 1 171 171 VAL C C 13 181 0.05 . 1 . . . . . 171 VAL C . 53232 1 542 . 1 . 1 171 171 VAL CA C 13 63.77 0.05 . 1 . . . . . 171 VAL CA . 53232 1 543 . 1 . 1 171 171 VAL CB C 13 33.12 0.05 . 1 . . . . . 171 VAL CB . 53232 1 544 . 1 . 1 171 171 VAL N N 15 127.05 0.05 . 1 . . . . . 171 VAL N . 53232 1 545 . 1 . 1 173 173 ILE C C 13 176.19 0.05 . 1 . . . . . 173 ILE C . 53232 1 546 . 1 . 1 173 173 ILE CA C 13 61.68 0.05 . 1 . . . . . 173 ILE CA . 53232 1 547 . 1 . 1 173 173 ILE CB C 13 38.75 0.05 . 1 . . . . . 173 ILE CB . 53232 1 548 . 1 . 1 174 174 ASP H H 1 8.42 0.05 . 1 . . . . . 174 ASP H . 53232 1 549 . 1 . 1 174 174 ASP C C 13 176.65 0.05 . 1 . . . . . 174 ASP C . 53232 1 550 . 1 . 1 174 174 ASP CA C 13 54.51 0.05 . 1 . . . . . 174 ASP CA . 53232 1 551 . 1 . 1 174 174 ASP CB C 13 40.99 0.05 . 1 . . . . . 174 ASP CB . 53232 1 552 . 1 . 1 174 174 ASP N N 15 123.45 0.05 . 1 . . . . . 174 ASP N . 53232 1 553 . 1 . 1 175 175 GLY C C 13 174.5 0.05 . 1 . . . . . 175 GLY C . 53232 1 554 . 1 . 1 175 175 GLY CA C 13 45.52 0.05 . 1 . . . . . 175 GLY CA . 53232 1 555 . 1 . 1 176 176 THR H H 1 7.96 0.05 . 1 . . . . . 176 THR H . 53232 1 556 . 1 . 1 176 176 THR C C 13 174.4 0.05 . 1 . . . . . 176 THR C . 53232 1 557 . 1 . 1 176 176 THR CA C 13 61.91 0.05 . 1 . . . . . 176 THR CA . 53232 1 558 . 1 . 1 176 176 THR CB C 13 69.93 0.05 . 1 . . . . . 176 THR CB . 53232 1 559 . 1 . 1 176 176 THR N N 15 112.86 0.05 . 1 . . . . . 176 THR N . 53232 1 560 . 1 . 1 177 177 ASP H H 1 8.36 0.05 . 1 . . . . . 177 ASP H . 53232 1 561 . 1 . 1 177 177 ASP C C 13 175.08 0.05 . 1 . . . . . 177 ASP C . 53232 1 562 . 1 . 1 177 177 ASP CA C 13 54.49 0.05 . 1 . . . . . 177 ASP CA . 53232 1 563 . 1 . 1 177 177 ASP CB C 13 40.98 0.05 . 1 . . . . . 177 ASP CB . 53232 1 564 . 1 . 1 177 177 ASP N N 15 123.13 0.05 . 1 . . . . . 177 ASP N . 53232 1 565 . 1 . 1 178 178 ILE H H 1 7.52 0.05 . 1 . . . . . 178 ILE H . 53232 1 566 . 1 . 1 178 178 ILE C C 13 181.22 0.05 . 1 . . . . . 178 ILE C . 53232 1 567 . 1 . 1 178 178 ILE CA C 13 62.94 0.05 . 1 . . . . . 178 ILE CA . 53232 1 568 . 1 . 1 178 178 ILE CB C 13 39.72 0.05 . 1 . . . . . 178 ILE CB . 53232 1 569 . 1 . 1 178 178 ILE N N 15 124.5 0.05 . 1 . . . . . 178 ILE N . 53232 1 570 . 1 . 1 183 183 CYS C C 13 174.44 0.05 . 1 . . . . . 183 CYS C . 53232 1 571 . 1 . 1 183 183 CYS CA C 13 55.47 0.05 . 1 . . . . . 183 CYS CA . 53232 1 572 . 1 . 1 183 183 CYS CB C 13 41.1 0.05 . 1 . . . . . 183 CYS CB . 53232 1 573 . 1 . 1 184 184 LEU H H 1 8.36 0.05 . 1 . . . . . 184 LEU H . 53232 1 574 . 1 . 1 184 184 LEU C C 13 176.03 0.05 . 1 . . . . . 184 LEU C . 53232 1 575 . 1 . 1 184 184 LEU CA C 13 55.44 0.05 . 1 . . . . . 184 LEU CA . 53232 1 576 . 1 . 1 184 184 LEU CB C 13 42.21 0.05 . 1 . . . . . 184 LEU CB . 53232 1 577 . 1 . 1 184 184 LEU N N 15 125.01 0.05 . 1 . . . . . 184 LEU N . 53232 1 578 . 1 . 1 185 185 ILE H H 1 7.49 0.05 . 1 . . . . . 185 ILE H . 53232 1 579 . 1 . 1 185 185 ILE C C 13 181 0.05 . 1 . . . . . 185 ILE C . 53232 1 580 . 1 . 1 185 185 ILE CA C 13 62.81 0.05 . 1 . . . . . 185 ILE CA . 53232 1 581 . 1 . 1 185 185 ILE CB C 13 39.7 0.05 . 1 . . . . . 185 ILE CB . 53232 1 582 . 1 . 1 185 185 ILE N N 15 125.68 0.05 . 1 . . . . . 185 ILE N . 53232 1 583 . 1 . 1 187 187 ASP C C 13 176.19 0.05 . 1 . . . . . 187 ASP C . 53232 1 584 . 1 . 1 187 187 ASP CA C 13 54.37 0.05 . 1 . . . . . 187 ASP CA . 53232 1 585 . 1 . 1 187 187 ASP CB C 13 41.29 0.05 . 1 . . . . . 187 ASP CB . 53232 1 586 . 1 . 1 188 188 SER H H 1 8.45 0.05 . 1 . . . . . 188 SER H . 53232 1 587 . 1 . 1 188 188 SER C C 13 174.75 0.05 . 1 . . . . . 188 SER C . 53232 1 588 . 1 . 1 188 188 SER CA C 13 58.62 0.05 . 1 . . . . . 188 SER CA . 53232 1 589 . 1 . 1 188 188 SER CB C 13 63.63 0.05 . 1 . . . . . 188 SER CB . 53232 1 590 . 1 . 1 188 188 SER N N 15 117.55 0.05 . 1 . . . . . 188 SER N . 53232 1 591 . 1 . 1 189 189 LYS H H 1 8.3 0.05 . 1 . . . . . 189 LYS H . 53232 1 592 . 1 . 1 189 189 LYS C C 13 176.59 0.05 . 1 . . . . . 189 LYS C . 53232 1 593 . 1 . 1 189 189 LYS CA C 13 56.48 0.05 . 1 . . . . . 189 LYS CA . 53232 1 594 . 1 . 1 189 189 LYS CB C 13 32.79 0.05 . 1 . . . . . 189 LYS CB . 53232 1 595 . 1 . 1 189 189 LYS N N 15 122.89 0.05 . 1 . . . . . 189 LYS N . 53232 1 596 . 1 . 1 190 190 ALA H H 1 8.09 0.05 . 1 . . . . . 190 ALA H . 53232 1 597 . 1 . 1 190 190 ALA C C 13 177.95 0.05 . 1 . . . . . 190 ALA C . 53232 1 598 . 1 . 1 190 190 ALA CA C 13 52.65 0.05 . 1 . . . . . 190 ALA CA . 53232 1 599 . 1 . 1 190 190 ALA CB C 13 18.99 0.05 . 1 . . . . . 190 ALA CB . 53232 1 600 . 1 . 1 190 190 ALA N N 15 124.75 0.05 . 1 . . . . . 190 ALA N . 53232 1 601 . 1 . 1 191 191 LYS H H 1 8.21 0.05 . 1 . . . . . 191 LYS H . 53232 1 602 . 1 . 1 191 191 LYS C C 13 176.83 0.05 . 1 . . . . . 191 LYS C . 53232 1 603 . 1 . 1 191 191 LYS CA C 13 56.5 0.05 . 1 . . . . . 191 LYS CA . 53232 1 604 . 1 . 1 191 191 LYS CB C 13 33.05 0.05 . 1 . . . . . 191 LYS CB . 53232 1 605 . 1 . 1 191 191 LYS N N 15 120.9 0.05 . 1 . . . . . 191 LYS N . 53232 1 606 . 1 . 1 192 192 SER H H 1 8.21 0.05 . 1 . . . . . 192 SER H . 53232 1 607 . 1 . 1 192 192 SER C C 13 174.69 0.05 . 1 . . . . . 192 SER C . 53232 1 608 . 1 . 1 192 192 SER CA C 13 58.26 0.05 . 1 . . . . . 192 SER CA . 53232 1 609 . 1 . 1 192 192 SER CB C 13 63.63 0.05 . 1 . . . . . 192 SER CB . 53232 1 610 . 1 . 1 192 192 SER N N 15 116.91 0.05 . 1 . . . . . 192 SER N . 53232 1 611 . 1 . 1 193 193 LEU H H 1 8.24 0.05 . 1 . . . . . 193 LEU H . 53232 1 612 . 1 . 1 193 193 LEU C C 13 177.98 0.05 . 1 . . . . . 193 LEU C . 53232 1 613 . 1 . 1 193 193 LEU CA C 13 55.44 0.05 . 1 . . . . . 193 LEU CA . 53232 1 614 . 1 . 1 193 193 LEU CB C 13 42.23 0.05 . 1 . . . . . 193 LEU CB . 53232 1 615 . 1 . 1 193 193 LEU N N 15 124.03 0.05 . 1 . . . . . 193 LEU N . 53232 1 616 . 1 . 1 194 194 GLY H H 1 8.24 0.05 . 1 . . . . . 194 GLY H . 53232 1 617 . 1 . 1 194 194 GLY C C 13 173.9 0.05 . 1 . . . . . 194 GLY C . 53232 1 618 . 1 . 1 194 194 GLY CA C 13 45.33 0.05 . 1 . . . . . 194 GLY CA . 53232 1 619 . 1 . 1 194 194 GLY N N 15 108.74 0.05 . 1 . . . . . 194 GLY N . 53232 1 620 . 1 . 1 195 195 ASN H H 1 8.23 0.05 . 1 . . . . . 195 ASN H . 53232 1 621 . 1 . 1 195 195 ASN C C 13 175.52 0.05 . 1 . . . . . 195 ASN C . 53232 1 622 . 1 . 1 195 195 ASN CA C 13 53.22 0.05 . 1 . . . . . 195 ASN CA . 53232 1 623 . 1 . 1 195 195 ASN CB C 13 38.78 0.05 . 1 . . . . . 195 ASN CB . 53232 1 624 . 1 . 1 195 195 ASN N N 15 118.47 0.05 . 1 . . . . . 195 ASN N . 53232 1 625 . 1 . 1 196 196 LEU H H 1 8.26 0.05 . 1 . . . . . 196 LEU H . 53232 1 626 . 1 . 1 196 196 LEU C C 13 178.07 0.05 . 1 . . . . . 196 LEU C . 53232 1 627 . 1 . 1 196 196 LEU CA C 13 55.68 0.05 . 1 . . . . . 196 LEU CA . 53232 1 628 . 1 . 1 196 196 LEU CB C 13 41.94 0.05 . 1 . . . . . 196 LEU CB . 53232 1 629 . 1 . 1 196 196 LEU N N 15 122.52 0.05 . 1 . . . . . 196 LEU N . 53232 1 630 . 1 . 1 197 197 GLY H H 1 8.32 0.05 . 1 . . . . . 197 GLY H . 53232 1 631 . 1 . 1 197 197 GLY C C 13 174.12 0.05 . 1 . . . . . 197 GLY C . 53232 1 632 . 1 . 1 197 197 GLY CA C 13 45.39 0.05 . 1 . . . . . 197 GLY CA . 53232 1 633 . 1 . 1 197 197 GLY N N 15 109.31 0.05 . 1 . . . . . 197 GLY N . 53232 1 634 . 1 . 1 198 198 ASP H H 1 8.06 0.05 . 1 . . . . . 198 ASP H . 53232 1 635 . 1 . 1 198 198 ASP C C 13 176.26 0.05 . 1 . . . . . 198 ASP C . 53232 1 636 . 1 . 1 198 198 ASP CA C 13 54.44 0.05 . 1 . . . . . 198 ASP CA . 53232 1 637 . 1 . 1 198 198 ASP CB C 13 41.18 0.05 . 1 . . . . . 198 ASP CB . 53232 1 638 . 1 . 1 198 198 ASP N N 15 120.59 0.05 . 1 . . . . . 198 ASP N . 53232 1 639 . 1 . 1 199 199 ALA H H 1 8.15 0.05 . 1 . . . . . 199 ALA H . 53232 1 640 . 1 . 1 199 199 ALA C C 13 177.73 0.05 . 1 . . . . . 199 ALA C . 53232 1 641 . 1 . 1 199 199 ALA CA C 13 52.75 0.05 . 1 . . . . . 199 ALA CA . 53232 1 642 . 1 . 1 199 199 ALA CB C 13 19.28 0.05 . 1 . . . . . 199 ALA CB . 53232 1 643 . 1 . 1 199 199 ALA N N 15 123.61 0.05 . 1 . . . . . 199 ALA N . 53232 1 644 . 1 . 1 200 200 ASP H H 1 8.21 0.05 . 1 . . . . . 200 ASP H . 53232 1 645 . 1 . 1 200 200 ASP C C 13 176.71 0.05 . 1 . . . . . 200 ASP C . 53232 1 646 . 1 . 1 200 200 ASP CA C 13 54.47 0.05 . 1 . . . . . 200 ASP CA . 53232 1 647 . 1 . 1 200 200 ASP CB C 13 40.98 0.05 . 1 . . . . . 200 ASP CB . 53232 1 648 . 1 . 1 200 200 ASP N N 15 119.24 0.05 . 1 . . . . . 200 ASP N . 53232 1 649 . 1 . 1 201 201 THR H H 1 7.89 0.05 . 1 . . . . . 201 THR H . 53232 1 650 . 1 . 1 201 201 THR C C 13 174.81 0.05 . 1 . . . . . 201 THR C . 53232 1 651 . 1 . 1 201 201 THR CA C 13 62.25 0.05 . 1 . . . . . 201 THR CA . 53232 1 652 . 1 . 1 201 201 THR CB C 13 69.59 0.05 . 1 . . . . . 201 THR CB . 53232 1 653 . 1 . 1 201 201 THR N N 15 113.69 0.05 . 1 . . . . . 201 THR N . 53232 1 654 . 1 . 1 202 202 GLU H H 1 8.16 0.05 . 1 . . . . . 202 GLU H . 53232 1 655 . 1 . 1 202 202 GLU C C 13 175.94 0.05 . 1 . . . . . 202 GLU C . 53232 1 656 . 1 . 1 202 202 GLU CA C 13 56.61 0.05 . 1 . . . . . 202 GLU CA . 53232 1 657 . 1 . 1 202 202 GLU CB C 13 30 0.05 . 1 . . . . . 202 GLU CB . 53232 1 658 . 1 . 1 202 202 GLU N N 15 122.4 0.05 . 1 . . . . . 202 GLU N . 53232 1 659 . 1 . 1 203 203 HIS H H 1 8.1 0.05 . 1 . . . . . 203 HIS H . 53232 1 660 . 1 . 1 203 203 HIS C C 13 173.28 0.05 . 1 . . . . . 203 HIS C . 53232 1 661 . 1 . 1 203 203 HIS CA C 13 55.18 0.05 . 1 . . . . . 203 HIS CA . 53232 1 662 . 1 . 1 203 203 HIS CB C 13 29.61 0.05 . 1 . . . . . 203 HIS CB . 53232 1 663 . 1 . 1 203 203 HIS N N 15 119.28 0.05 . 1 . . . . . 203 HIS N . 53232 1 664 . 1 . 1 207 207 SER C C 13 174.07 0.05 . 1 . . . . . 207 SER C . 53232 1 665 . 1 . 1 207 207 SER CA C 13 58.17 0.05 . 1 . . . . . 207 SER CA . 53232 1 666 . 1 . 1 207 207 SER CB C 13 63.91 0.05 . 1 . . . . . 207 SER CB . 53232 1 667 . 1 . 1 208 208 ALA H H 1 8.42 0.05 . 1 . . . . . 208 ALA H . 53232 1 668 . 1 . 1 208 208 ALA C C 13 177.62 0.05 . 1 . . . . . 208 ALA C . 53232 1 669 . 1 . 1 208 208 ALA CA C 13 52.52 0.05 . 1 . . . . . 208 ALA CA . 53232 1 670 . 1 . 1 208 208 ALA CB C 13 19.25 0.05 . 1 . . . . . 208 ALA CB . 53232 1 671 . 1 . 1 208 208 ALA N N 15 126.46 0.05 . 1 . . . . . 208 ALA N . 53232 1 672 . 1 . 1 209 209 ARG H H 1 8.43 0.05 . 1 . . . . . 209 ARG H . 53232 1 673 . 1 . 1 209 209 ARG C C 13 174.96 0.05 . 1 . . . . . 209 ARG C . 53232 1 674 . 1 . 1 209 209 ARG CA C 13 56 0.05 . 1 . . . . . 209 ARG CA . 53232 1 675 . 1 . 1 209 209 ARG CB C 13 29.57 0.05 . 1 . . . . . 209 ARG CB . 53232 1 676 . 1 . 1 209 209 ARG N N 15 118.42 0.05 . 1 . . . . . 209 ARG N . 53232 1 677 . 1 . 1 211 211 PHE C C 13 176.42 0.05 . 1 . . . . . 211 PHE C . 53232 1 678 . 1 . 1 211 211 PHE CA C 13 58.27 0.05 . 1 . . . . . 211 PHE CA . 53232 1 679 . 1 . 1 211 211 PHE CB C 13 39.4 0.05 . 1 . . . . . 211 PHE CB . 53232 1 680 . 1 . 1 212 212 GLY H H 1 8.19 0.05 . 1 . . . . . 212 GLY H . 53232 1 681 . 1 . 1 212 212 GLY C C 13 172.83 0.05 . 1 . . . . . 212 GLY C . 53232 1 682 . 1 . 1 212 212 GLY CA C 13 45.27 0.05 . 1 . . . . . 212 GLY CA . 53232 1 683 . 1 . 1 212 212 GLY N N 15 111.93 0.05 . 1 . . . . . 212 GLY N . 53232 1 684 . 1 . 1 213 213 ALA H H 1 7.64 0.05 . 1 . . . . . 213 ALA H . 53232 1 685 . 1 . 1 213 213 ALA C C 13 182.64 0.05 . 1 . . . . . 213 ALA C . 53232 1 686 . 1 . 1 213 213 ALA CA C 13 53.58 0.05 . 1 . . . . . 213 ALA CA . 53232 1 687 . 1 . 1 213 213 ALA CB C 13 20.18 0.05 . 1 . . . . . 213 ALA CB . 53232 1 688 . 1 . 1 213 213 ALA N N 15 129.11 0.05 . 1 . . . . . 213 ALA N . 53232 1 689 . 1 . 1 216 216 PRO C C 13 176.68 0.05 . 1 . . . . . 216 PRO C . 53232 1 690 . 1 . 1 216 216 PRO CA C 13 63.15 0.05 . 1 . . . . . 216 PRO CA . 53232 1 691 . 1 . 1 216 216 PRO CB C 13 31.87 0.05 . 1 . . . . . 216 PRO CB . 53232 1 692 . 1 . 1 217 217 LYS H H 1 8.27 0.05 . 1 . . . . . 217 LYS H . 53232 1 693 . 1 . 1 217 217 LYS C C 13 176.59 0.05 . 1 . . . . . 217 LYS C . 53232 1 694 . 1 . 1 217 217 LYS CA C 13 56.41 0.05 . 1 . . . . . 217 LYS CA . 53232 1 695 . 1 . 1 217 217 LYS CB C 13 33.03 0.05 . 1 . . . . . 217 LYS CB . 53232 1 696 . 1 . 1 217 217 LYS N N 15 121.98 0.05 . 1 . . . . . 217 LYS N . 53232 1 697 . 1 . 1 218 218 ALA H H 1 8.3 0.05 . 1 . . . . . 218 ALA H . 53232 1 698 . 1 . 1 218 218 ALA C C 13 177.74 0.05 . 1 . . . . . 218 ALA C . 53232 1 699 . 1 . 1 218 218 ALA CA C 13 52.62 0.05 . 1 . . . . . 218 ALA CA . 53232 1 700 . 1 . 1 218 218 ALA CB C 13 19.26 0.05 . 1 . . . . . 218 ALA CB . 53232 1 701 . 1 . 1 218 218 ALA N N 15 125.3 0.05 . 1 . . . . . 218 ALA N . 53232 1 702 . 1 . 1 219 219 SER H H 1 8.16 0.05 . 1 . . . . . 219 SER H . 53232 1 703 . 1 . 1 219 219 SER C C 13 174.49 0.05 . 1 . . . . . 219 SER C . 53232 1 704 . 1 . 1 219 219 SER CA C 13 58.4 0.05 . 1 . . . . . 219 SER CA . 53232 1 705 . 1 . 1 219 219 SER CB C 13 63.73 0.05 . 1 . . . . . 219 SER CB . 53232 1 706 . 1 . 1 219 219 SER N N 15 114.74 0.05 . 1 . . . . . 219 SER N . 53232 1 707 . 1 . 1 220 220 MET H H 1 8.3 0.05 . 1 . . . . . 220 MET H . 53232 1 708 . 1 . 1 220 220 MET C C 13 175.22 0.05 . 1 . . . . . 220 MET C . 53232 1 709 . 1 . 1 220 220 MET CA C 13 55.68 0.05 . 1 . . . . . 220 MET CA . 53232 1 710 . 1 . 1 220 220 MET CB C 13 32.76 0.05 . 1 . . . . . 220 MET CB . 53232 1 711 . 1 . 1 220 220 MET N N 15 123.02 0.05 . 1 . . . . . 220 MET N . 53232 1 712 . 1 . 1 221 221 ILE H H 1 7.54 0.05 . 1 . . . . . 221 ILE H . 53232 1 713 . 1 . 1 221 221 ILE C C 13 181.06 0.05 . 1 . . . . . 221 ILE C . 53232 1 714 . 1 . 1 221 221 ILE CA C 13 62.87 0.05 . 1 . . . . . 221 ILE CA . 53232 1 715 . 1 . 1 221 221 ILE CB C 13 39.67 0.05 . 1 . . . . . 221 ILE CB . 53232 1 716 . 1 . 1 221 221 ILE N N 15 125.36 0.05 . 1 . . . . . 221 ILE N . 53232 1 717 . 1 . 1 225 225 HIS C C 13 175.82 0.05 . 1 . . . . . 225 HIS C . 53232 1 718 . 1 . 1 225 225 HIS CA C 13 55.56 0.05 . 1 . . . . . 225 HIS CA . 53232 1 719 . 1 . 1 225 225 HIS CB C 13 32.85 0.05 . 1 . . . . . 225 HIS CB . 53232 1 720 . 1 . 1 226 226 SER H H 1 8.38 0.05 . 1 . . . . . 226 SER H . 53232 1 721 . 1 . 1 226 226 SER C C 13 174.23 0.05 . 1 . . . . . 226 SER C . 53232 1 722 . 1 . 1 226 226 SER CA C 13 58.24 0.05 . 1 . . . . . 226 SER CA . 53232 1 723 . 1 . 1 226 226 SER CB C 13 63.85 0.05 . 1 . . . . . 226 SER CB . 53232 1 724 . 1 . 1 226 226 SER N N 15 118.1 0.05 . 1 . . . . . 226 SER N . 53232 1 725 . 1 . 1 227 227 ALA H H 1 8.3 0.05 . 1 . . . . . 227 ALA H . 53232 1 726 . 1 . 1 227 227 ALA C C 13 177.67 0.05 . 1 . . . . . 227 ALA C . 53232 1 727 . 1 . 1 227 227 ALA CA C 13 52.51 0.05 . 1 . . . . . 227 ALA CA . 53232 1 728 . 1 . 1 227 227 ALA CB C 13 19.07 0.05 . 1 . . . . . 227 ALA CB . 53232 1 729 . 1 . 1 227 227 ALA N N 15 126.17 0.05 . 1 . . . . . 227 ALA N . 53232 1 730 . 1 . 1 229 229 ASP C C 13 176.72 0.05 . 1 . . . . . 229 ASP C . 53232 1 731 . 1 . 1 229 229 ASP CA C 13 54.15 0.05 . 1 . . . . . 229 ASP CA . 53232 1 732 . 1 . 1 229 229 ASP CB C 13 41.02 0.05 . 1 . . . . . 229 ASP CB . 53232 1 733 . 1 . 1 230 230 SER H H 1 8.2 0.05 . 1 . . . . . 230 SER H . 53232 1 734 . 1 . 1 230 230 SER C C 13 175.02 0.05 . 1 . . . . . 230 SER C . 53232 1 735 . 1 . 1 230 230 SER CA C 13 58.92 0.05 . 1 . . . . . 230 SER CA . 53232 1 736 . 1 . 1 230 230 SER CB C 13 63.61 0.05 . 1 . . . . . 230 SER CB . 53232 1 737 . 1 . 1 230 230 SER N N 15 117.14 0.05 . 1 . . . . . 230 SER N . 53232 1 738 . 1 . 1 231 231 ARG H H 1 8.23 0.05 . 1 . . . . . 231 ARG H . 53232 1 739 . 1 . 1 231 231 ARG C C 13 176.38 0.05 . 1 . . . . . 231 ARG C . 53232 1 740 . 1 . 1 231 231 ARG CA C 13 56.42 0.05 . 1 . . . . . 231 ARG CA . 53232 1 741 . 1 . 1 231 231 ARG CB C 13 30.29 0.05 . 1 . . . . . 231 ARG CB . 53232 1 742 . 1 . 1 231 231 ARG N N 15 122.68 0.05 . 1 . . . . . 231 ARG N . 53232 1 743 . 1 . 1 232 232 ALA H H 1 8 0.05 . 1 . . . . . 232 ALA H . 53232 1 744 . 1 . 1 232 232 ALA C C 13 177.55 0.05 . 1 . . . . . 232 ALA C . 53232 1 745 . 1 . 1 232 232 ALA CA C 13 52.59 0.05 . 1 . . . . . 232 ALA CA . 53232 1 746 . 1 . 1 232 232 ALA CB C 13 18.98 0.05 . 1 . . . . . 232 ALA CB . 53232 1 747 . 1 . 1 232 232 ALA N N 15 124.15 0.05 . 1 . . . . . 232 ALA N . 53232 1 748 . 1 . 1 233 233 ALA H H 1 8.06 0.05 . 1 . . . . . 233 ALA H . 53232 1 749 . 1 . 1 233 233 ALA C C 13 177.83 0.05 . 1 . . . . . 233 ALA C . 53232 1 750 . 1 . 1 233 233 ALA CA C 13 52.5 0.05 . 1 . . . . . 233 ALA CA . 53232 1 751 . 1 . 1 233 233 ALA CB C 13 18.99 0.05 . 1 . . . . . 233 ALA CB . 53232 1 752 . 1 . 1 233 233 ALA N N 15 122.96 0.05 . 1 . . . . . 233 ALA N . 53232 1 753 . 1 . 1 234 234 ILE H H 1 7.97 0.05 . 1 . . . . . 234 ILE H . 53232 1 754 . 1 . 1 234 234 ILE C C 13 176.52 0.05 . 1 . . . . . 234 ILE C . 53232 1 755 . 1 . 1 234 234 ILE CA C 13 61.12 0.05 . 1 . . . . . 234 ILE CA . 53232 1 756 . 1 . 1 234 234 ILE CB C 13 38.7 0.05 . 1 . . . . . 234 ILE CB . 53232 1 757 . 1 . 1 234 234 ILE N N 15 119.57 0.05 . 1 . . . . . 234 ILE N . 53232 1 758 . 1 . 1 235 235 THR H H 1 8.06 0.05 . 1 . . . . . 235 THR H . 53232 1 759 . 1 . 1 235 235 THR C C 13 174.07 0.05 . 1 . . . . . 235 THR C . 53232 1 760 . 1 . 1 235 235 THR CA C 13 61.67 0.05 . 1 . . . . . 235 THR CA . 53232 1 761 . 1 . 1 235 235 THR CB C 13 69.9 0.05 . 1 . . . . . 235 THR CB . 53232 1 762 . 1 . 1 235 235 THR N N 15 117.96 0.05 . 1 . . . . . 235 THR N . 53232 1 763 . 1 . 1 236 236 HIS C C 13 174.63 0.05 . 1 . . . . . 236 HIS C . 53232 1 764 . 1 . 1 236 236 HIS CA C 13 55.63 0.05 . 1 . . . . . 236 HIS CA . 53232 1 765 . 1 . 1 236 236 HIS CB C 13 29.7 0.05 . 1 . . . . . 236 HIS CB . 53232 1 766 . 1 . 1 237 237 THR H H 1 8.14 0.05 . 1 . . . . . 237 THR H . 53232 1 767 . 1 . 1 237 237 THR C C 13 173.33 0.05 . 1 . . . . . 237 THR C . 53232 1 768 . 1 . 1 237 237 THR CA C 13 61.79 0.05 . 1 . . . . . 237 THR CA . 53232 1 769 . 1 . 1 237 237 THR CB C 13 69.9 0.05 . 1 . . . . . 237 THR CB . 53232 1 770 . 1 . 1 237 237 THR N N 15 116.56 0.05 . 1 . . . . . 237 THR N . 53232 1 771 . 1 . 1 238 238 ALA H H 1 7.96 0.05 . 1 . . . . . 238 ALA H . 53232 1 772 . 1 . 1 238 238 ALA C C 13 182.56 0.05 . 1 . . . . . 238 ALA C . 53232 1 773 . 1 . 1 238 238 ALA CA C 13 53.94 0.05 . 1 . . . . . 238 ALA CA . 53232 1 774 . 1 . 1 238 238 ALA CB C 13 20.05 0.05 . 1 . . . . . 238 ALA CB . 53232 1 775 . 1 . 1 238 238 ALA N N 15 132 0.05 . 1 . . . . . 238 ALA N . 53232 1 776 . 1 . 1 242 242 ASP C C 13 176.2 0.05 . 1 . . . . . 242 ASP C . 53232 1 777 . 1 . 1 242 242 ASP CA C 13 54.46 0.05 . 1 . . . . . 242 ASP CA . 53232 1 778 . 1 . 1 242 242 ASP CB C 13 41.2 0.05 . 1 . . . . . 242 ASP CB . 53232 1 779 . 1 . 1 243 243 LYS H H 1 8.16 0.05 . 1 . . . . . 243 LYS H . 53232 1 780 . 1 . 1 243 243 LYS C C 13 176.4 0.05 . 1 . . . . . 243 LYS C . 53232 1 781 . 1 . 1 243 243 LYS CA C 13 56.21 0.05 . 1 . . . . . 243 LYS CA . 53232 1 782 . 1 . 1 243 243 LYS CB C 13 32.96 0.05 . 1 . . . . . 243 LYS CB . 53232 1 783 . 1 . 1 243 243 LYS N N 15 120.91 0.05 . 1 . . . . . 243 LYS N . 53232 1 784 . 1 . 1 244 244 LEU H H 1 8.24 0.05 . 1 . . . . . 244 LEU H . 53232 1 785 . 1 . 1 244 244 LEU C C 13 176.51 0.05 . 1 . . . . . 244 LEU C . 53232 1 786 . 1 . 1 244 244 LEU CA C 13 55.47 0.05 . 1 . . . . . 244 LEU CA . 53232 1 787 . 1 . 1 244 244 LEU CB C 13 42.31 0.05 . 1 . . . . . 244 LEU CB . 53232 1 788 . 1 . 1 244 244 LEU N N 15 123.82 0.05 . 1 . . . . . 244 LEU N . 53232 1 789 . 1 . 1 245 245 ARG H H 1 7.7 0.05 . 1 . . . . . 245 ARG H . 53232 1 790 . 1 . 1 245 245 ARG C C 13 180.89 0.05 . 1 . . . . . 245 ARG C . 53232 1 791 . 1 . 1 245 245 ARG CA C 13 57.43 0.05 . 1 . . . . . 245 ARG CA . 53232 1 792 . 1 . 1 245 245 ARG CB C 13 31.51 0.05 . 1 . . . . . 245 ARG CB . 53232 1 793 . 1 . 1 245 245 ARG N N 15 125.93 0.05 . 1 . . . . . 245 ARG N . 53232 1 stop_ save_