data_26952 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26952 _Entry.Title ; 92% Backbone 1H, 13C, and 15N Chemical Shift Assignments for New Delhi beta lactamase 1 (without Zinc) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-22 _Entry.Accession_date 2016-11-22 _Entry.Last_release_date 2016-11-22 _Entry.Original_release_date 2016-11-22 _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 . _Entry.Generated_software_label . _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 Gwladys Riviere . . . . 26952 2 Nelly Morellet . . . . 26952 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 na CNRS . 26952 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26952 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 619 26952 '15N chemical shifts' 219 26952 '1H chemical shifts' 219 26952 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 . . 2021-07-22 2016-11-22 update BMRB 'update entry citation' 26952 1 . . 2021-01-06 2016-11-22 original author 'original release' 26952 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26950 'NDM-1 (with ligand, with Zn)' 26952 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26952 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32426604 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Omega' _Citation.Journal_name_full 'ACS omega' _Citation.Journal_volume 5 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2470-1343 _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 10466 _Citation.Page_last 10480 _Citation.Year 2020 _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 Gwladys Riviere G. . . . 26952 1 2 Saoussen Oueslati S. . . . 26952 1 3 Maud Gayral M. . . . 26952 1 4 Jean-Bernard Crechet J. B. . . 26952 1 5 Naima Nhiri N. . . . 26952 1 6 Eric Jacquet E. . . . 26952 1 7 Jean-Christophe Cintrat J. C. . . 26952 1 8 Francois Giraud F. . . . 26952 1 9 Carine 'van Heijenoort' C. . . . 26952 1 10 Ewen Lescop E. . . . 26952 1 11 Stephanie Pethe S. . . . 26952 1 12 Bogdan Iorga B. I. . . 26952 1 13 Thierry Naas T. . . . 26952 1 14 Eric Guittet E. . . . 26952 1 15 Nelly Morellet N. . . . 26952 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Molecular modeling' 26952 1 NDM-1 26952 1 'Nuclear magnetic resonance' 26952 1 flavonoids 26952 1 zinc 26952 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26952 _Assembly.ID 1 _Assembly.Name 'NDM-1 (without ligand , without Zn)' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 141813.75 _Assembly.Enzyme_commission_number 3.5.2.6 _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 NDM-1 1 $New_Delhi_Beta_Lactamase_1 A . yes native no no . . . 26952 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_New_Delhi_Beta_Lactamase_1 _Entity.Sf_category entity _Entity.Sf_framecode New_Delhi_Beta_Lactamase_1 _Entity.Entry_ID 26952 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name New_Delhi_Beta_Lactamase_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 ; MGEIRPTIGQQMETGDQRFG DLVFRQLAPNVWQHTSYLDM PGFGAVASNGLIVRDGGRVL VVDTAWTDDQTAQILNWIKQ EINLPVALAVVTHAHQDKMG GMDALHAAGIATYANALSNQ LAPQEGMVAAQHSLTFAANG WVEPATAPNFGPLKVFYPGP GHTSDNITVGIDGTDIAFGG CLIKDSKAKSLGNLGDADTE HYAASARAFGAAFPKASMIV MSHSAPDSRAAITHTARMAD KLRLEHHHHHHHH ; _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 253 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EMBL A0A0M3RUK0 . . . . . . . . . . . . . . . . 26952 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Antiobiotic resistance' 26952 1 Hydrolase 26952 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 28 MET . 26952 1 2 29 GLY . 26952 1 3 30 GLU . 26952 1 4 31 ILE . 26952 1 5 32 ARG . 26952 1 6 33 PRO . 26952 1 7 34 THR . 26952 1 8 35 ILE . 26952 1 9 36 GLY . 26952 1 10 37 GLN . 26952 1 11 38 GLN . 26952 1 12 39 MET . 26952 1 13 40 GLU . 26952 1 14 41 THR . 26952 1 15 42 GLY . 26952 1 16 43 ASP . 26952 1 17 44 GLN . 26952 1 18 45 ARG . 26952 1 19 46 PHE . 26952 1 20 47 GLY . 26952 1 21 48 ASP . 26952 1 22 49 LEU . 26952 1 23 50 VAL . 26952 1 24 51 PHE . 26952 1 25 52 ARG . 26952 1 26 53 GLN . 26952 1 27 54 LEU . 26952 1 28 55 ALA . 26952 1 29 56 PRO . 26952 1 30 57 ASN . 26952 1 31 58 VAL . 26952 1 32 59 TRP . 26952 1 33 60 GLN . 26952 1 34 61 HIS . 26952 1 35 62 THR . 26952 1 36 63 SER . 26952 1 37 64 TYR . 26952 1 38 65 LEU . 26952 1 39 66 ASP . 26952 1 40 67 MET . 26952 1 41 68 PRO . 26952 1 42 69 GLY . 26952 1 43 70 PHE . 26952 1 44 71 GLY . 26952 1 45 72 ALA . 26952 1 46 73 VAL . 26952 1 47 74 ALA . 26952 1 48 75 SER . 26952 1 49 76 ASN . 26952 1 50 77 GLY . 26952 1 51 78 LEU . 26952 1 52 79 ILE . 26952 1 53 80 VAL . 26952 1 54 81 ARG . 26952 1 55 82 ASP . 26952 1 56 83 GLY . 26952 1 57 84 GLY . 26952 1 58 85 ARG . 26952 1 59 86 VAL . 26952 1 60 87 LEU . 26952 1 61 88 VAL . 26952 1 62 89 VAL . 26952 1 63 90 ASP . 26952 1 64 91 THR . 26952 1 65 92 ALA . 26952 1 66 93 TRP . 26952 1 67 94 THR . 26952 1 68 95 ASP . 26952 1 69 96 ASP . 26952 1 70 97 GLN . 26952 1 71 98 THR . 26952 1 72 99 ALA . 26952 1 73 100 GLN . 26952 1 74 101 ILE . 26952 1 75 102 LEU . 26952 1 76 103 ASN . 26952 1 77 104 TRP . 26952 1 78 105 ILE . 26952 1 79 106 LYS . 26952 1 80 107 GLN . 26952 1 81 108 GLU . 26952 1 82 109 ILE . 26952 1 83 110 ASN . 26952 1 84 111 LEU . 26952 1 85 112 PRO . 26952 1 86 113 VAL . 26952 1 87 114 ALA . 26952 1 88 115 LEU . 26952 1 89 116 ALA . 26952 1 90 117 VAL . 26952 1 91 118 VAL . 26952 1 92 119 THR . 26952 1 93 120 HIS . 26952 1 94 121 ALA . 26952 1 95 122 HIS . 26952 1 96 123 GLN . 26952 1 97 124 ASP . 26952 1 98 125 LYS . 26952 1 99 126 MET . 26952 1 100 127 GLY . 26952 1 101 128 GLY . 26952 1 102 129 MET . 26952 1 103 130 ASP . 26952 1 104 131 ALA . 26952 1 105 132 LEU . 26952 1 106 133 HIS . 26952 1 107 134 ALA . 26952 1 108 135 ALA . 26952 1 109 136 GLY . 26952 1 110 137 ILE . 26952 1 111 138 ALA . 26952 1 112 139 THR . 26952 1 113 140 TYR . 26952 1 114 141 ALA . 26952 1 115 142 ASN . 26952 1 116 143 ALA . 26952 1 117 144 LEU . 26952 1 118 145 SER . 26952 1 119 146 ASN . 26952 1 120 147 GLN . 26952 1 121 148 LEU . 26952 1 122 149 ALA . 26952 1 123 150 PRO . 26952 1 124 151 GLN . 26952 1 125 152 GLU . 26952 1 126 153 GLY . 26952 1 127 154 MET . 26952 1 128 155 VAL . 26952 1 129 156 ALA . 26952 1 130 157 ALA . 26952 1 131 158 GLN . 26952 1 132 159 HIS . 26952 1 133 160 SER . 26952 1 134 161 LEU . 26952 1 135 162 THR . 26952 1 136 163 PHE . 26952 1 137 164 ALA . 26952 1 138 165 ALA . 26952 1 139 166 ASN . 26952 1 140 167 GLY . 26952 1 141 168 TRP . 26952 1 142 169 VAL . 26952 1 143 170 GLU . 26952 1 144 171 PRO . 26952 1 145 172 ALA . 26952 1 146 173 THR . 26952 1 147 174 ALA . 26952 1 148 175 PRO . 26952 1 149 176 ASN . 26952 1 150 177 PHE . 26952 1 151 178 GLY . 26952 1 152 179 PRO . 26952 1 153 180 LEU . 26952 1 154 181 LYS . 26952 1 155 182 VAL . 26952 1 156 183 PHE . 26952 1 157 184 TYR . 26952 1 158 185 PRO . 26952 1 159 186 GLY . 26952 1 160 187 PRO . 26952 1 161 188 GLY . 26952 1 162 189 HIS . 26952 1 163 190 THR . 26952 1 164 191 SER . 26952 1 165 192 ASP . 26952 1 166 193 ASN . 26952 1 167 194 ILE . 26952 1 168 195 THR . 26952 1 169 196 VAL . 26952 1 170 197 GLY . 26952 1 171 198 ILE . 26952 1 172 199 ASP . 26952 1 173 200 GLY . 26952 1 174 201 THR . 26952 1 175 202 ASP . 26952 1 176 203 ILE . 26952 1 177 204 ALA . 26952 1 178 205 PHE . 26952 1 179 206 GLY . 26952 1 180 207 GLY . 26952 1 181 208 CYS . 26952 1 182 209 LEU . 26952 1 183 210 ILE . 26952 1 184 211 LYS . 26952 1 185 212 ASP . 26952 1 186 213 SER . 26952 1 187 214 LYS . 26952 1 188 215 ALA . 26952 1 189 216 LYS . 26952 1 190 217 SER . 26952 1 191 218 LEU . 26952 1 192 219 GLY . 26952 1 193 220 ASN . 26952 1 194 221 LEU . 26952 1 195 222 GLY . 26952 1 196 223 ASP . 26952 1 197 224 ALA . 26952 1 198 225 ASP . 26952 1 199 226 THR . 26952 1 200 227 GLU . 26952 1 201 228 HIS . 26952 1 202 229 TYR . 26952 1 203 230 ALA . 26952 1 204 231 ALA . 26952 1 205 232 SER . 26952 1 206 233 ALA . 26952 1 207 234 ARG . 26952 1 208 235 ALA . 26952 1 209 236 PHE . 26952 1 210 237 GLY . 26952 1 211 238 ALA . 26952 1 212 239 ALA . 26952 1 213 240 PHE . 26952 1 214 241 PRO . 26952 1 215 242 LYS . 26952 1 216 243 ALA . 26952 1 217 244 SER . 26952 1 218 245 MET . 26952 1 219 246 ILE . 26952 1 220 247 VAL . 26952 1 221 248 MET . 26952 1 222 249 SER . 26952 1 223 250 HIS . 26952 1 224 251 SER . 26952 1 225 252 ALA . 26952 1 226 253 PRO . 26952 1 227 254 ASP . 26952 1 228 255 SER . 26952 1 229 256 ARG . 26952 1 230 257 ALA . 26952 1 231 258 ALA . 26952 1 232 259 ILE . 26952 1 233 260 THR . 26952 1 234 261 HIS . 26952 1 235 262 THR . 26952 1 236 263 ALA . 26952 1 237 264 ARG . 26952 1 238 265 MET . 26952 1 239 266 ALA . 26952 1 240 267 ASP . 26952 1 241 268 LYS . 26952 1 242 269 LEU . 26952 1 243 270 ARG . 26952 1 244 271 LEU . 26952 1 245 272 GLU . 26952 1 246 273 HIS . 26952 1 247 274 HIS . 26952 1 248 275 HIS . 26952 1 249 276 HIS . 26952 1 250 277 HIS . 26952 1 251 278 HIS . 26952 1 252 279 HIS . 26952 1 253 280 HIS . 26952 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26952 1 . GLY 2 2 26952 1 . GLU 3 3 26952 1 . ILE 4 4 26952 1 . ARG 5 5 26952 1 . PRO 6 6 26952 1 . THR 7 7 26952 1 . ILE 8 8 26952 1 . GLY 9 9 26952 1 . GLN 10 10 26952 1 . GLN 11 11 26952 1 . MET 12 12 26952 1 . GLU 13 13 26952 1 . THR 14 14 26952 1 . GLY 15 15 26952 1 . ASP 16 16 26952 1 . GLN 17 17 26952 1 . ARG 18 18 26952 1 . PHE 19 19 26952 1 . GLY 20 20 26952 1 . ASP 21 21 26952 1 . LEU 22 22 26952 1 . VAL 23 23 26952 1 . PHE 24 24 26952 1 . ARG 25 25 26952 1 . GLN 26 26 26952 1 . LEU 27 27 26952 1 . ALA 28 28 26952 1 . PRO 29 29 26952 1 . ASN 30 30 26952 1 . VAL 31 31 26952 1 . TRP 32 32 26952 1 . GLN 33 33 26952 1 . HIS 34 34 26952 1 . THR 35 35 26952 1 . SER 36 36 26952 1 . TYR 37 37 26952 1 . LEU 38 38 26952 1 . ASP 39 39 26952 1 . MET 40 40 26952 1 . PRO 41 41 26952 1 . GLY 42 42 26952 1 . PHE 43 43 26952 1 . GLY 44 44 26952 1 . ALA 45 45 26952 1 . VAL 46 46 26952 1 . ALA 47 47 26952 1 . SER 48 48 26952 1 . ASN 49 49 26952 1 . GLY 50 50 26952 1 . LEU 51 51 26952 1 . ILE 52 52 26952 1 . VAL 53 53 26952 1 . ARG 54 54 26952 1 . ASP 55 55 26952 1 . GLY 56 56 26952 1 . GLY 57 57 26952 1 . ARG 58 58 26952 1 . VAL 59 59 26952 1 . LEU 60 60 26952 1 . VAL 61 61 26952 1 . VAL 62 62 26952 1 . ASP 63 63 26952 1 . THR 64 64 26952 1 . ALA 65 65 26952 1 . TRP 66 66 26952 1 . THR 67 67 26952 1 . ASP 68 68 26952 1 . ASP 69 69 26952 1 . GLN 70 70 26952 1 . THR 71 71 26952 1 . ALA 72 72 26952 1 . GLN 73 73 26952 1 . ILE 74 74 26952 1 . LEU 75 75 26952 1 . ASN 76 76 26952 1 . TRP 77 77 26952 1 . ILE 78 78 26952 1 . LYS 79 79 26952 1 . GLN 80 80 26952 1 . GLU 81 81 26952 1 . ILE 82 82 26952 1 . ASN 83 83 26952 1 . LEU 84 84 26952 1 . PRO 85 85 26952 1 . VAL 86 86 26952 1 . ALA 87 87 26952 1 . LEU 88 88 26952 1 . ALA 89 89 26952 1 . VAL 90 90 26952 1 . VAL 91 91 26952 1 . THR 92 92 26952 1 . HIS 93 93 26952 1 . ALA 94 94 26952 1 . HIS 95 95 26952 1 . GLN 96 96 26952 1 . ASP 97 97 26952 1 . LYS 98 98 26952 1 . MET 99 99 26952 1 . GLY 100 100 26952 1 . GLY 101 101 26952 1 . MET 102 102 26952 1 . ASP 103 103 26952 1 . ALA 104 104 26952 1 . LEU 105 105 26952 1 . HIS 106 106 26952 1 . ALA 107 107 26952 1 . ALA 108 108 26952 1 . GLY 109 109 26952 1 . ILE 110 110 26952 1 . ALA 111 111 26952 1 . THR 112 112 26952 1 . TYR 113 113 26952 1 . ALA 114 114 26952 1 . ASN 115 115 26952 1 . ALA 116 116 26952 1 . LEU 117 117 26952 1 . SER 118 118 26952 1 . ASN 119 119 26952 1 . GLN 120 120 26952 1 . LEU 121 121 26952 1 . ALA 122 122 26952 1 . PRO 123 123 26952 1 . GLN 124 124 26952 1 . GLU 125 125 26952 1 . GLY 126 126 26952 1 . MET 127 127 26952 1 . VAL 128 128 26952 1 . ALA 129 129 26952 1 . ALA 130 130 26952 1 . GLN 131 131 26952 1 . HIS 132 132 26952 1 . SER 133 133 26952 1 . LEU 134 134 26952 1 . THR 135 135 26952 1 . PHE 136 136 26952 1 . ALA 137 137 26952 1 . ALA 138 138 26952 1 . ASN 139 139 26952 1 . GLY 140 140 26952 1 . TRP 141 141 26952 1 . VAL 142 142 26952 1 . GLU 143 143 26952 1 . PRO 144 144 26952 1 . ALA 145 145 26952 1 . THR 146 146 26952 1 . ALA 147 147 26952 1 . PRO 148 148 26952 1 . ASN 149 149 26952 1 . PHE 150 150 26952 1 . GLY 151 151 26952 1 . PRO 152 152 26952 1 . LEU 153 153 26952 1 . LYS 154 154 26952 1 . VAL 155 155 26952 1 . PHE 156 156 26952 1 . TYR 157 157 26952 1 . PRO 158 158 26952 1 . GLY 159 159 26952 1 . PRO 160 160 26952 1 . GLY 161 161 26952 1 . HIS 162 162 26952 1 . THR 163 163 26952 1 . SER 164 164 26952 1 . ASP 165 165 26952 1 . ASN 166 166 26952 1 . ILE 167 167 26952 1 . THR 168 168 26952 1 . VAL 169 169 26952 1 . GLY 170 170 26952 1 . ILE 171 171 26952 1 . ASP 172 172 26952 1 . GLY 173 173 26952 1 . THR 174 174 26952 1 . ASP 175 175 26952 1 . ILE 176 176 26952 1 . ALA 177 177 26952 1 . PHE 178 178 26952 1 . GLY 179 179 26952 1 . GLY 180 180 26952 1 . CYS 181 181 26952 1 . LEU 182 182 26952 1 . ILE 183 183 26952 1 . LYS 184 184 26952 1 . ASP 185 185 26952 1 . SER 186 186 26952 1 . LYS 187 187 26952 1 . ALA 188 188 26952 1 . LYS 189 189 26952 1 . SER 190 190 26952 1 . LEU 191 191 26952 1 . GLY 192 192 26952 1 . ASN 193 193 26952 1 . LEU 194 194 26952 1 . GLY 195 195 26952 1 . ASP 196 196 26952 1 . ALA 197 197 26952 1 . ASP 198 198 26952 1 . THR 199 199 26952 1 . GLU 200 200 26952 1 . HIS 201 201 26952 1 . TYR 202 202 26952 1 . ALA 203 203 26952 1 . ALA 204 204 26952 1 . SER 205 205 26952 1 . ALA 206 206 26952 1 . ARG 207 207 26952 1 . ALA 208 208 26952 1 . PHE 209 209 26952 1 . GLY 210 210 26952 1 . ALA 211 211 26952 1 . ALA 212 212 26952 1 . PHE 213 213 26952 1 . PRO 214 214 26952 1 . LYS 215 215 26952 1 . ALA 216 216 26952 1 . SER 217 217 26952 1 . MET 218 218 26952 1 . ILE 219 219 26952 1 . VAL 220 220 26952 1 . MET 221 221 26952 1 . SER 222 222 26952 1 . HIS 223 223 26952 1 . SER 224 224 26952 1 . ALA 225 225 26952 1 . PRO 226 226 26952 1 . ASP 227 227 26952 1 . SER 228 228 26952 1 . ARG 229 229 26952 1 . ALA 230 230 26952 1 . ALA 231 231 26952 1 . ILE 232 232 26952 1 . THR 233 233 26952 1 . HIS 234 234 26952 1 . THR 235 235 26952 1 . ALA 236 236 26952 1 . ARG 237 237 26952 1 . MET 238 238 26952 1 . ALA 239 239 26952 1 . ASP 240 240 26952 1 . LYS 241 241 26952 1 . LEU 242 242 26952 1 . ARG 243 243 26952 1 . LEU 244 244 26952 1 . GLU 245 245 26952 1 . HIS 246 246 26952 1 . HIS 247 247 26952 1 . HIS 248 248 26952 1 . HIS 249 249 26952 1 . HIS 250 250 26952 1 . HIS 251 251 26952 1 . HIS 252 252 26952 1 . HIS 253 253 26952 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 26952 _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 $New_Delhi_Beta_Lactamase_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . blaNDM-1 . 26952 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 26952 _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 $New_Delhi_Beta_Lactamase_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET41b . . . 26952 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26952 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate sodium pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'New Delhi Beta Lactamase 1' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $New_Delhi_Beta_Lactamase_1 . . 0.75 0.5 1 mM . . . . 26952 1 2 'phosphate sodium' 'natural abundance' . . . . . . 50 . . mM . . . . 26952 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 26952 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 26952 1 pH 6.5 . pH 26952 1 pressure 1 . atm 26952 1 temperature 293 . K 26952 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 26952 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26952 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26952 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 26952 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26952 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . . . 26952 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 26952 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26952 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26952 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26952 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26952 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26952 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26952 1 7 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26952 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 26952 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water carbon . . . . ppm 0 internal direct 1.0 . . . . . 26952 1 H 1 water protons . . . . ppm 4.8 internal direct 1.0 . . . . . 26952 1 N 15 water nitrogen . . . . ppm 0 internal direct 1.0 . . . . . 26952 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 26952 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 26952 1 2 '3D HNCO' . . . 26952 1 3 '3D HNCA' . . . 26952 1 4 '3D HNCACB' . . . 26952 1 5 '3D HN(CO)CA' . . . 26952 1 6 '3D HN(COCA)CB' . . . 26952 1 7 '3D HCACO' . . . 26952 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 $CCPN . . 26952 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLU C C 13 176.312 0.000 . 1 . . . . . 30 GLU C . 26952 1 2 . 1 . 1 3 3 GLU CA C 13 55.940 0.000 . 1 . . . . . 30 GLU CA . 26952 1 3 . 1 . 1 3 3 GLU CB C 13 30.443 0.000 . 1 . . . . . 30 GLU CB . 26952 1 4 . 1 . 1 4 4 ILE H H 1 8.423 0.001 . 1 . . . . . 31 ILE H . 26952 1 5 . 1 . 1 4 4 ILE C C 13 176.008 0.000 . 1 . . . . . 31 ILE C . 26952 1 6 . 1 . 1 4 4 ILE CA C 13 60.706 0.000 . 1 . . . . . 31 ILE CA . 26952 1 7 . 1 . 1 4 4 ILE CB C 13 38.069 0.008 . 1 . . . . . 31 ILE CB . 26952 1 8 . 1 . 1 4 4 ILE N N 15 122.838 0.005 . 1 . . . . . 31 ILE N . 26952 1 9 . 1 . 1 5 5 ARG H H 1 8.447 0.001 . 1 . . . . . 32 ARG H . 26952 1 10 . 1 . 1 5 5 ARG CA C 13 53.336 0.000 . 1 . . . . . 32 ARG CA . 26952 1 11 . 1 . 1 5 5 ARG CB C 13 29.961 0.000 . 1 . . . . . 32 ARG CB . 26952 1 12 . 1 . 1 5 5 ARG N N 15 126.689 0.000 . 1 . . . . . 32 ARG N . 26952 1 13 . 1 . 1 6 6 PRO C C 13 177.000 0.000 . 1 . . . . . 33 PRO C . 26952 1 14 . 1 . 1 6 6 PRO CA C 13 62.842 0.001 . 1 . . . . . 33 PRO CA . 26952 1 15 . 1 . 1 6 6 PRO CB C 13 31.859 0.000 . 1 . . . . . 33 PRO CB . 26952 1 16 . 1 . 1 7 7 THR H H 1 8.300 0.000 . 1 . . . . . 34 THR H . 26952 1 17 . 1 . 1 7 7 THR C C 13 174.661 0.000 . 1 . . . . . 34 THR C . 26952 1 18 . 1 . 1 7 7 THR CA C 13 61.542 0.001 . 1 . . . . . 34 THR CA . 26952 1 19 . 1 . 1 7 7 THR CB C 13 69.490 0.001 . 1 . . . . . 34 THR CB . 26952 1 20 . 1 . 1 7 7 THR N N 15 114.890 0.008 . 1 . . . . . 34 THR N . 26952 1 21 . 1 . 1 8 8 ILE H H 1 8.159 0.001 . 1 . . . . . 35 ILE H . 26952 1 22 . 1 . 1 8 8 ILE C C 13 176.648 0.000 . 1 . . . . . 35 ILE C . 26952 1 23 . 1 . 1 8 8 ILE CA C 13 61.095 0.006 . 1 . . . . . 35 ILE CA . 26952 1 24 . 1 . 1 8 8 ILE CB C 13 38.430 0.005 . 1 . . . . . 35 ILE CB . 26952 1 25 . 1 . 1 8 8 ILE N N 15 122.840 0.004 . 1 . . . . . 35 ILE N . 26952 1 26 . 1 . 1 9 9 GLY H H 1 8.467 0.002 . 1 . . . . . 36 GLY H . 26952 1 27 . 1 . 1 9 9 GLY C C 13 174.104 0.004 . 1 . . . . . 36 GLY C . 26952 1 28 . 1 . 1 9 9 GLY CA C 13 45.007 0.001 . 1 . . . . . 36 GLY CA . 26952 1 29 . 1 . 1 9 9 GLY N N 15 112.354 0.012 . 1 . . . . . 36 GLY N . 26952 1 30 . 1 . 1 10 10 GLN H H 1 8.200 0.002 . 1 . . . . . 37 GLN H . 26952 1 31 . 1 . 1 10 10 GLN C C 13 175.971 0.000 . 1 . . . . . 37 GLN C . 26952 1 32 . 1 . 1 10 10 GLN CA C 13 55.541 0.003 . 1 . . . . . 37 GLN CA . 26952 1 33 . 1 . 1 10 10 GLN CB C 13 29.367 0.006 . 1 . . . . . 37 GLN CB . 26952 1 34 . 1 . 1 10 10 GLN N N 15 119.643 0.031 . 1 . . . . . 37 GLN N . 26952 1 35 . 1 . 1 11 11 GLN H H 1 8.494 0.001 . 1 . . . . . 38 GLN H . 26952 1 36 . 1 . 1 11 11 GLN C C 13 175.873 0.000 . 1 . . . . . 38 GLN C . 26952 1 37 . 1 . 1 11 11 GLN CA C 13 55.656 0.000 . 1 . . . . . 38 GLN CA . 26952 1 38 . 1 . 1 11 11 GLN CB C 13 29.056 0.002 . 1 . . . . . 38 GLN CB . 26952 1 39 . 1 . 1 11 11 GLN N N 15 121.521 0.017 . 1 . . . . . 38 GLN N . 26952 1 40 . 1 . 1 12 12 MET H H 1 8.406 0.002 . 1 . . . . . 39 MET H . 26952 1 41 . 1 . 1 12 12 MET C C 13 176.251 0.000 . 1 . . . . . 39 MET C . 26952 1 42 . 1 . 1 12 12 MET CA C 13 55.274 0.000 . 1 . . . . . 39 MET CA . 26952 1 43 . 1 . 1 12 12 MET CB C 13 33.265 0.004 . 1 . . . . . 39 MET CB . 26952 1 44 . 1 . 1 12 12 MET N N 15 121.500 0.002 . 1 . . . . . 39 MET N . 26952 1 45 . 1 . 1 13 13 GLU H H 1 8.676 0.001 . 1 . . . . . 40 GLU H . 26952 1 46 . 1 . 1 13 13 GLU C C 13 176.948 0.000 . 1 . . . . . 40 GLU C . 26952 1 47 . 1 . 1 13 13 GLU CA C 13 56.067 0.014 . 1 . . . . . 40 GLU CA . 26952 1 48 . 1 . 1 13 13 GLU CB C 13 30.075 0.000 . 1 . . . . . 40 GLU CB . 26952 1 49 . 1 . 1 13 13 GLU N N 15 122.515 0.001 . 1 . . . . . 40 GLU N . 26952 1 50 . 1 . 1 14 14 THR H H 1 8.313 0.003 . 1 . . . . . 41 THR H . 26952 1 51 . 1 . 1 14 14 THR C C 13 175.289 0.000 . 1 . . . . . 41 THR C . 26952 1 52 . 1 . 1 14 14 THR CA C 13 62.179 0.003 . 1 . . . . . 41 THR CA . 26952 1 53 . 1 . 1 14 14 THR CB C 13 69.441 0.008 . 1 . . . . . 41 THR CB . 26952 1 54 . 1 . 1 14 14 THR N N 15 114.647 0.001 . 1 . . . . . 41 THR N . 26952 1 55 . 1 . 1 15 15 GLY H H 1 8.527 0.001 . 1 . . . . . 42 GLY H . 26952 1 56 . 1 . 1 15 15 GLY C C 13 173.942 0.000 . 1 . . . . . 42 GLY C . 26952 1 57 . 1 . 1 15 15 GLY CA C 13 44.791 0.000 . 1 . . . . . 42 GLY CA . 26952 1 58 . 1 . 1 15 15 GLY N N 15 110.878 0.007 . 1 . . . . . 42 GLY N . 26952 1 59 . 1 . 1 16 16 ASP H H 1 8.199 0.002 . 1 . . . . . 43 ASP H . 26952 1 60 . 1 . 1 16 16 ASP C C 13 176.213 0.000 . 1 . . . . . 43 ASP C . 26952 1 61 . 1 . 1 16 16 ASP CA C 13 54.613 0.004 . 1 . . . . . 43 ASP CA . 26952 1 62 . 1 . 1 16 16 ASP CB C 13 41.144 0.000 . 1 . . . . . 43 ASP CB . 26952 1 63 . 1 . 1 16 16 ASP N N 15 121.299 0.000 . 1 . . . . . 43 ASP N . 26952 1 64 . 1 . 1 17 17 GLN H H 1 9.197 0.000 . 1 . . . . . 44 GLN H . 26952 1 65 . 1 . 1 17 17 GLN C C 13 175.016 0.000 . 1 . . . . . 44 GLN C . 26952 1 66 . 1 . 1 17 17 GLN CA C 13 54.623 0.000 . 1 . . . . . 44 GLN CA . 26952 1 67 . 1 . 1 17 17 GLN CB C 13 30.797 0.000 . 1 . . . . . 44 GLN CB . 26952 1 68 . 1 . 1 17 17 GLN N N 15 121.872 0.000 . 1 . . . . . 44 GLN N . 26952 1 69 . 1 . 1 18 18 ARG H H 1 8.866 0.001 . 1 . . . . . 45 ARG H . 26952 1 70 . 1 . 1 18 18 ARG C C 13 176.146 0.000 . 1 . . . . . 45 ARG C . 26952 1 71 . 1 . 1 18 18 ARG CA C 13 55.550 0.007 . 1 . . . . . 45 ARG CA . 26952 1 72 . 1 . 1 18 18 ARG CB C 13 30.822 0.000 . 1 . . . . . 45 ARG CB . 26952 1 73 . 1 . 1 18 18 ARG N N 15 124.823 0.007 . 1 . . . . . 45 ARG N . 26952 1 74 . 1 . 1 19 19 PHE H H 1 8.732 0.002 . 1 . . . . . 46 PHE H . 26952 1 75 . 1 . 1 19 19 PHE C C 13 174.507 0.000 . 1 . . . . . 46 PHE C . 26952 1 76 . 1 . 1 19 19 PHE CA C 13 57.295 0.006 . 1 . . . . . 46 PHE CA . 26952 1 77 . 1 . 1 19 19 PHE CB C 13 41.244 0.008 . 1 . . . . . 46 PHE CB . 26952 1 78 . 1 . 1 19 19 PHE N N 15 127.693 0.001 . 1 . . . . . 46 PHE N . 26952 1 79 . 1 . 1 20 20 GLY H H 1 8.686 0.002 . 1 . . . . . 47 GLY H . 26952 1 80 . 1 . 1 20 20 GLY C C 13 175.234 0.000 . 1 . . . . . 47 GLY C . 26952 1 81 . 1 . 1 20 20 GLY CA C 13 46.770 0.007 . 1 . . . . . 47 GLY CA . 26952 1 82 . 1 . 1 20 20 GLY N N 15 116.062 0.001 . 1 . . . . . 47 GLY N . 26952 1 83 . 1 . 1 21 21 ASP H H 1 9.317 0.002 . 1 . . . . . 48 ASP H . 26952 1 84 . 1 . 1 21 21 ASP C C 13 175.453 0.000 . 1 . . . . . 48 ASP C . 26952 1 85 . 1 . 1 21 21 ASP CA C 13 54.649 0.001 . 1 . . . . . 48 ASP CA . 26952 1 86 . 1 . 1 21 21 ASP CB C 13 41.165 0.008 . 1 . . . . . 48 ASP CB . 26952 1 87 . 1 . 1 21 21 ASP N N 15 126.614 0.004 . 1 . . . . . 48 ASP N . 26952 1 88 . 1 . 1 22 22 LEU H H 1 8.481 0.001 . 1 . . . . . 49 LEU H . 26952 1 89 . 1 . 1 22 22 LEU C C 13 176.688 0.000 . 1 . . . . . 49 LEU C . 26952 1 90 . 1 . 1 22 22 LEU CA C 13 54.143 0.005 . 1 . . . . . 49 LEU CA . 26952 1 91 . 1 . 1 22 22 LEU CB C 13 45.679 0.014 . 1 . . . . . 49 LEU CB . 26952 1 92 . 1 . 1 22 22 LEU N N 15 123.764 0.009 . 1 . . . . . 49 LEU N . 26952 1 93 . 1 . 1 23 23 VAL H H 1 8.129 0.002 . 1 . . . . . 50 VAL H . 26952 1 94 . 1 . 1 23 23 VAL CA C 13 60.854 0.003 . 1 . . . . . 50 VAL CA . 26952 1 95 . 1 . 1 23 23 VAL CB C 13 35.703 0.000 . 1 . . . . . 50 VAL CB . 26952 1 96 . 1 . 1 23 23 VAL N N 15 119.031 0.001 . 1 . . . . . 50 VAL N . 26952 1 97 . 1 . 1 24 24 PHE H H 1 8.901 0.003 . 1 . . . . . 51 PHE H . 26952 1 98 . 1 . 1 24 24 PHE C C 13 173.755 0.000 . 1 . . . . . 51 PHE C . 26952 1 99 . 1 . 1 24 24 PHE CA C 13 55.976 0.037 . 1 . . . . . 51 PHE CA . 26952 1 100 . 1 . 1 24 24 PHE CB C 13 43.049 0.000 . 1 . . . . . 51 PHE CB . 26952 1 101 . 1 . 1 24 24 PHE N N 15 122.851 0.010 . 1 . . . . . 51 PHE N . 26952 1 102 . 1 . 1 25 25 ARG H H 1 8.601 0.004 . 1 . . . . . 52 ARG H . 26952 1 103 . 1 . 1 25 25 ARG C C 13 175.016 0.000 . 1 . . . . . 52 ARG C . 26952 1 104 . 1 . 1 25 25 ARG CA C 13 54.441 0.016 . 1 . . . . . 52 ARG CA . 26952 1 105 . 1 . 1 25 25 ARG CB C 13 29.706 0.000 . 1 . . . . . 52 ARG CB . 26952 1 106 . 1 . 1 25 25 ARG N N 15 120.884 0.013 . 1 . . . . . 52 ARG N . 26952 1 107 . 1 . 1 26 26 GLN H H 1 9.670 0.001 . 1 . . . . . 53 GLN H . 26952 1 108 . 1 . 1 26 26 GLN C C 13 175.217 0.000 . 1 . . . . . 53 GLN C . 26952 1 109 . 1 . 1 26 26 GLN CA C 13 57.264 0.006 . 1 . . . . . 53 GLN CA . 26952 1 110 . 1 . 1 26 26 GLN N N 15 130.302 0.012 . 1 . . . . . 53 GLN N . 26952 1 111 . 1 . 1 27 27 LEU H H 1 8.867 0.004 . 1 . . . . . 54 LEU H . 26952 1 112 . 1 . 1 27 27 LEU C C 13 175.536 0.000 . 1 . . . . . 54 LEU C . 26952 1 113 . 1 . 1 27 27 LEU CA C 13 54.798 0.011 . 1 . . . . . 54 LEU CA . 26952 1 114 . 1 . 1 27 27 LEU CB C 13 43.579 0.000 . 1 . . . . . 54 LEU CB . 26952 1 115 . 1 . 1 27 27 LEU N N 15 127.578 0.023 . 1 . . . . . 54 LEU N . 26952 1 116 . 1 . 1 28 28 ALA H H 1 8.369 0.002 . 1 . . . . . 55 ALA H . 26952 1 117 . 1 . 1 28 28 ALA CA C 13 50.009 0.000 . 1 . . . . . 55 ALA CA . 26952 1 118 . 1 . 1 28 28 ALA CB C 13 18.852 0.000 . 1 . . . . . 55 ALA CB . 26952 1 119 . 1 . 1 28 28 ALA N N 15 121.663 0.053 . 1 . . . . . 55 ALA N . 26952 1 120 . 1 . 1 30 30 ASN C C 13 173.886 0.000 . 1 . . . . . 57 ASN C . 26952 1 121 . 1 . 1 30 30 ASN CA C 13 52.391 0.000 . 1 . . . . . 57 ASN CA . 26952 1 122 . 1 . 1 31 31 VAL H H 1 7.101 0.004 . 1 . . . . . 58 VAL H . 26952 1 123 . 1 . 1 31 31 VAL C C 13 173.807 0.000 . 1 . . . . . 58 VAL C . 26952 1 124 . 1 . 1 31 31 VAL CA C 13 61.483 0.006 . 1 . . . . . 58 VAL CA . 26952 1 125 . 1 . 1 31 31 VAL N N 15 115.898 0.002 . 1 . . . . . 58 VAL N . 26952 1 126 . 1 . 1 32 32 TRP H H 1 10.003 0.003 . 1 . . . . . 59 TRP H . 26952 1 127 . 1 . 1 32 32 TRP C C 13 173.540 0.000 . 1 . . . . . 59 TRP C . 26952 1 128 . 1 . 1 32 32 TRP CA C 13 56.867 0.004 . 1 . . . . . 59 TRP CA . 26952 1 129 . 1 . 1 32 32 TRP N N 15 128.067 0.003 . 1 . . . . . 59 TRP N . 26952 1 130 . 1 . 1 33 33 GLN H H 1 9.753 0.001 . 1 . . . . . 60 GLN H . 26952 1 131 . 1 . 1 33 33 GLN C C 13 176.195 0.000 . 1 . . . . . 60 GLN C . 26952 1 132 . 1 . 1 33 33 GLN CA C 13 53.806 0.003 . 1 . . . . . 60 GLN CA . 26952 1 133 . 1 . 1 33 33 GLN N N 15 122.596 0.000 . 1 . . . . . 60 GLN N . 26952 1 134 . 1 . 1 34 34 HIS H H 1 8.163 0.002 . 1 . . . . . 61 HIS H . 26952 1 135 . 1 . 1 34 34 HIS C C 13 173.624 0.000 . 1 . . . . . 61 HIS C . 26952 1 136 . 1 . 1 34 34 HIS CA C 13 53.115 0.009 . 1 . . . . . 61 HIS CA . 26952 1 137 . 1 . 1 34 34 HIS CB C 13 34.960 0.000 . 1 . . . . . 61 HIS CB . 26952 1 138 . 1 . 1 34 34 HIS N N 15 127.248 0.002 . 1 . . . . . 61 HIS N . 26952 1 139 . 1 . 1 35 35 THR H H 1 8.623 0.001 . 1 . . . . . 62 THR H . 26952 1 140 . 1 . 1 35 35 THR C C 13 171.756 0.000 . 1 . . . . . 62 THR C . 26952 1 141 . 1 . 1 35 35 THR CA C 13 61.734 0.003 . 1 . . . . . 62 THR CA . 26952 1 142 . 1 . 1 35 35 THR CB C 13 71.286 0.011 . 1 . . . . . 62 THR CB . 26952 1 143 . 1 . 1 35 35 THR N N 15 118.182 0.001 . 1 . . . . . 62 THR N . 26952 1 144 . 1 . 1 36 36 SER H H 1 8.567 0.003 . 1 . . . . . 63 SER H . 26952 1 145 . 1 . 1 36 36 SER C C 13 173.723 0.000 . 1 . . . . . 63 SER C . 26952 1 146 . 1 . 1 36 36 SER CA C 13 55.941 0.002 . 1 . . . . . 63 SER CA . 26952 1 147 . 1 . 1 36 36 SER CB C 13 66.988 0.000 . 1 . . . . . 63 SER CB . 26952 1 148 . 1 . 1 36 36 SER N N 15 118.547 0.008 . 1 . . . . . 63 SER N . 26952 1 149 . 1 . 1 37 37 TYR H H 1 9.198 0.002 . 1 . . . . . 64 TYR H . 26952 1 150 . 1 . 1 37 37 TYR C C 13 174.999 0.000 . 1 . . . . . 64 TYR C . 26952 1 151 . 1 . 1 37 37 TYR CA C 13 57.208 0.010 . 1 . . . . . 64 TYR CA . 26952 1 152 . 1 . 1 37 37 TYR CB C 13 42.391 0.000 . 1 . . . . . 64 TYR CB . 26952 1 153 . 1 . 1 37 37 TYR N N 15 118.569 0.000 . 1 . . . . . 64 TYR N . 26952 1 154 . 1 . 1 38 38 LEU H H 1 7.928 0.003 . 1 . . . . . 65 LEU H . 26952 1 155 . 1 . 1 38 38 LEU C C 13 175.363 0.000 . 1 . . . . . 65 LEU C . 26952 1 156 . 1 . 1 38 38 LEU CA C 13 53.048 0.006 . 1 . . . . . 65 LEU CA . 26952 1 157 . 1 . 1 38 38 LEU CB C 13 43.282 0.000 . 1 . . . . . 65 LEU CB . 26952 1 158 . 1 . 1 38 38 LEU N N 15 123.998 0.053 . 1 . . . . . 65 LEU N . 26952 1 159 . 1 . 1 39 39 ASP H H 1 8.231 0.001 . 1 . . . . . 66 ASP H . 26952 1 160 . 1 . 1 39 39 ASP C C 13 175.355 0.000 . 1 . . . . . 66 ASP C . 26952 1 161 . 1 . 1 39 39 ASP CA C 13 54.031 0.001 . 1 . . . . . 66 ASP CA . 26952 1 162 . 1 . 1 39 39 ASP CB C 13 40.712 0.000 . 1 . . . . . 66 ASP CB . 26952 1 163 . 1 . 1 39 39 ASP N N 15 126.272 0.003 . 1 . . . . . 66 ASP N . 26952 1 164 . 1 . 1 40 40 MET H H 1 8.411 0.002 . 1 . . . . . 67 MET H . 26952 1 165 . 1 . 1 40 40 MET CA C 13 51.938 0.000 . 1 . . . . . 67 MET CA . 26952 1 166 . 1 . 1 40 40 MET CB C 13 34.042 0.000 . 1 . . . . . 67 MET CB . 26952 1 167 . 1 . 1 40 40 MET N N 15 125.484 0.002 . 1 . . . . . 67 MET N . 26952 1 168 . 1 . 1 41 41 PRO C C 13 176.534 0.000 . 1 . . . . . 68 PRO C . 26952 1 169 . 1 . 1 41 41 PRO CA C 13 60.856 0.000 . 1 . . . . . 68 PRO CA . 26952 1 170 . 1 . 1 41 41 PRO CB C 13 32.078 0.000 . 1 . . . . . 68 PRO CB . 26952 1 171 . 1 . 1 42 42 GLY H H 1 8.496 0.003 . 1 . . . . . 69 GLY H . 26952 1 172 . 1 . 1 42 42 GLY C C 13 174.122 0.000 . 1 . . . . . 69 GLY C . 26952 1 173 . 1 . 1 42 42 GLY CA C 13 45.071 0.002 . 1 . . . . . 69 GLY CA . 26952 1 174 . 1 . 1 42 42 GLY N N 15 113.406 0.016 . 1 . . . . . 69 GLY N . 26952 1 175 . 1 . 1 43 43 PHE H H 1 8.181 0.002 . 1 . . . . . 70 PHE H . 26952 1 176 . 1 . 1 43 43 PHE C C 13 175.923 0.000 . 1 . . . . . 70 PHE C . 26952 1 177 . 1 . 1 43 43 PHE CA C 13 58.467 0.004 . 1 . . . . . 70 PHE CA . 26952 1 178 . 1 . 1 43 43 PHE CB C 13 41.561 0.009 . 1 . . . . . 70 PHE CB . 26952 1 179 . 1 . 1 43 43 PHE N N 15 118.409 0.001 . 1 . . . . . 70 PHE N . 26952 1 180 . 1 . 1 44 44 GLY H H 1 8.250 0.002 . 1 . . . . . 71 GLY H . 26952 1 181 . 1 . 1 44 44 GLY C C 13 172.585 0.000 . 1 . . . . . 71 GLY C . 26952 1 182 . 1 . 1 44 44 GLY CA C 13 44.255 0.004 . 1 . . . . . 71 GLY CA . 26952 1 183 . 1 . 1 44 44 GLY N N 15 108.928 0.002 . 1 . . . . . 71 GLY N . 26952 1 184 . 1 . 1 45 45 ALA H H 1 8.196 0.002 . 1 . . . . . 72 ALA H . 26952 1 185 . 1 . 1 45 45 ALA C C 13 177.921 0.000 . 1 . . . . . 72 ALA C . 26952 1 186 . 1 . 1 45 45 ALA CA C 13 52.036 0.008 . 1 . . . . . 72 ALA CA . 26952 1 187 . 1 . 1 45 45 ALA CB C 13 18.680 0.029 . 1 . . . . . 72 ALA CB . 26952 1 188 . 1 . 1 45 45 ALA N N 15 123.760 0.001 . 1 . . . . . 72 ALA N . 26952 1 189 . 1 . 1 46 46 VAL H H 1 8.751 0.002 . 1 . . . . . 73 VAL H . 26952 1 190 . 1 . 1 46 46 VAL C C 13 175.407 0.000 . 1 . . . . . 73 VAL C . 26952 1 191 . 1 . 1 46 46 VAL CA C 13 62.164 0.004 . 1 . . . . . 73 VAL CA . 26952 1 192 . 1 . 1 46 46 VAL CB C 13 33.097 0.031 . 1 . . . . . 73 VAL CB . 26952 1 193 . 1 . 1 46 46 VAL N N 15 125.990 0.002 . 1 . . . . . 73 VAL N . 26952 1 194 . 1 . 1 47 47 ALA H H 1 8.623 0.002 . 1 . . . . . 74 ALA H . 26952 1 195 . 1 . 1 47 47 ALA C C 13 178.683 0.000 . 1 . . . . . 74 ALA C . 26952 1 196 . 1 . 1 47 47 ALA CA C 13 51.194 0.002 . 1 . . . . . 74 ALA CA . 26952 1 197 . 1 . 1 47 47 ALA CB C 13 20.707 0.030 . 1 . . . . . 74 ALA CB . 26952 1 198 . 1 . 1 47 47 ALA N N 15 129.350 0.000 . 1 . . . . . 74 ALA N . 26952 1 199 . 1 . 1 48 48 SER H H 1 9.039 0.002 . 1 . . . . . 75 SER H . 26952 1 200 . 1 . 1 48 48 SER C C 13 174.469 0.000 . 1 . . . . . 75 SER C . 26952 1 201 . 1 . 1 48 48 SER CA C 13 57.426 0.003 . 1 . . . . . 75 SER CA . 26952 1 202 . 1 . 1 48 48 SER N N 15 114.440 0.000 . 1 . . . . . 75 SER N . 26952 1 203 . 1 . 1 49 49 ASN H H 1 9.151 0.001 . 1 . . . . . 76 ASN H . 26952 1 204 . 1 . 1 49 49 ASN C C 13 175.069 0.000 . 1 . . . . . 76 ASN C . 26952 1 205 . 1 . 1 49 49 ASN CA C 13 50.735 0.001 . 1 . . . . . 76 ASN CA . 26952 1 206 . 1 . 1 49 49 ASN N N 15 129.322 0.001 . 1 . . . . . 76 ASN N . 26952 1 207 . 1 . 1 50 50 GLY H H 1 7.954 0.004 . 1 . . . . . 77 GLY H . 26952 1 208 . 1 . 1 50 50 GLY C C 13 173.756 0.000 . 1 . . . . . 77 GLY C . 26952 1 209 . 1 . 1 50 50 GLY CA C 13 42.825 0.000 . 1 . . . . . 77 GLY CA . 26952 1 210 . 1 . 1 50 50 GLY N N 15 108.153 0.000 . 1 . . . . . 77 GLY N . 26952 1 211 . 1 . 1 51 51 LEU H H 1 8.861 0.002 . 1 . . . . . 78 LEU H . 26952 1 212 . 1 . 1 51 51 LEU C C 13 175.659 0.000 . 1 . . . . . 78 LEU C . 26952 1 213 . 1 . 1 51 51 LEU CA C 13 52.864 0.002 . 1 . . . . . 78 LEU CA . 26952 1 214 . 1 . 1 51 51 LEU CB C 13 48.181 0.012 . 1 . . . . . 78 LEU CB . 26952 1 215 . 1 . 1 51 51 LEU N N 15 116.152 0.001 . 1 . . . . . 78 LEU N . 26952 1 216 . 1 . 1 52 52 ILE H H 1 9.494 0.006 . 1 . . . . . 79 ILE H . 26952 1 217 . 1 . 1 52 52 ILE C C 13 174.674 0.000 . 1 . . . . . 79 ILE C . 26952 1 218 . 1 . 1 52 52 ILE CA C 13 60.763 0.015 . 1 . . . . . 79 ILE CA . 26952 1 219 . 1 . 1 52 52 ILE CB C 13 41.178 0.008 . 1 . . . . . 79 ILE CB . 26952 1 220 . 1 . 1 52 52 ILE N N 15 121.095 0.000 . 1 . . . . . 79 ILE N . 26952 1 221 . 1 . 1 53 53 VAL H H 1 9.568 0.003 . 1 . . . . . 80 VAL H . 26952 1 222 . 1 . 1 53 53 VAL C C 13 175.210 0.000 . 1 . . . . . 80 VAL C . 26952 1 223 . 1 . 1 53 53 VAL CA C 13 59.982 0.002 . 1 . . . . . 80 VAL CA . 26952 1 224 . 1 . 1 53 53 VAL CB C 13 36.006 0.000 . 1 . . . . . 80 VAL CB . 26952 1 225 . 1 . 1 53 53 VAL N N 15 126.269 0.001 . 1 . . . . . 80 VAL N . 26952 1 226 . 1 . 1 54 54 ARG H H 1 9.608 0.001 . 1 . . . . . 81 ARG H . 26952 1 227 . 1 . 1 54 54 ARG C C 13 173.688 0.000 . 1 . . . . . 81 ARG C . 26952 1 228 . 1 . 1 54 54 ARG CA C 13 55.587 0.005 . 1 . . . . . 81 ARG CA . 26952 1 229 . 1 . 1 54 54 ARG N N 15 128.650 0.002 . 1 . . . . . 81 ARG N . 26952 1 230 . 1 . 1 55 55 ASP H H 1 9.068 0.002 . 1 . . . . . 82 ASP H . 26952 1 231 . 1 . 1 55 55 ASP C C 13 175.527 0.000 . 1 . . . . . 82 ASP C . 26952 1 232 . 1 . 1 55 55 ASP CA C 13 51.815 0.006 . 1 . . . . . 82 ASP CA . 26952 1 233 . 1 . 1 55 55 ASP CB C 13 43.696 0.000 . 1 . . . . . 82 ASP CB . 26952 1 234 . 1 . 1 55 55 ASP N N 15 129.405 0.001 . 1 . . . . . 82 ASP N . 26952 1 235 . 1 . 1 56 56 GLY H H 1 8.869 0.001 . 1 . . . . . 83 GLY H . 26952 1 236 . 1 . 1 56 56 GLY C C 13 174.588 0.000 . 1 . . . . . 83 GLY C . 26952 1 237 . 1 . 1 56 56 GLY CA C 13 47.448 0.006 . 1 . . . . . 83 GLY CA . 26952 1 238 . 1 . 1 56 56 GLY N N 15 113.341 0.000 . 1 . . . . . 83 GLY N . 26952 1 239 . 1 . 1 57 57 GLY H H 1 8.641 0.000 . 1 . . . . . 84 GLY H . 26952 1 240 . 1 . 1 57 57 GLY C C 13 172.958 0.000 . 1 . . . . . 84 GLY C . 26952 1 241 . 1 . 1 57 57 GLY CA C 13 45.694 0.006 . 1 . . . . . 84 GLY CA . 26952 1 242 . 1 . 1 57 57 GLY N N 15 115.835 0.000 . 1 . . . . . 84 GLY N . 26952 1 243 . 1 . 1 58 58 ARG H H 1 7.724 0.002 . 1 . . . . . 85 ARG H . 26952 1 244 . 1 . 1 58 58 ARG C C 13 172.905 0.000 . 1 . . . . . 85 ARG C . 26952 1 245 . 1 . 1 58 58 ARG CA C 13 53.679 0.008 . 1 . . . . . 85 ARG CA . 26952 1 246 . 1 . 1 58 58 ARG CB C 13 32.925 0.000 . 1 . . . . . 85 ARG CB . 26952 1 247 . 1 . 1 58 58 ARG N N 15 116.915 0.001 . 1 . . . . . 85 ARG N . 26952 1 248 . 1 . 1 59 59 VAL H H 1 8.888 0.001 . 1 . . . . . 86 VAL H . 26952 1 249 . 1 . 1 59 59 VAL C C 13 173.515 0.000 . 1 . . . . . 86 VAL C . 26952 1 250 . 1 . 1 59 59 VAL CA C 13 59.998 0.011 . 1 . . . . . 86 VAL CA . 26952 1 251 . 1 . 1 59 59 VAL CB C 13 33.984 0.005 . 1 . . . . . 86 VAL CB . 26952 1 252 . 1 . 1 59 59 VAL N N 15 118.741 0.004 . 1 . . . . . 86 VAL N . 26952 1 253 . 1 . 1 60 60 LEU H H 1 9.589 0.004 . 1 . . . . . 87 LEU H . 26952 1 254 . 1 . 1 60 60 LEU C C 13 175.411 0.000 . 1 . . . . . 87 LEU C . 26952 1 255 . 1 . 1 60 60 LEU CA C 13 52.697 0.003 . 1 . . . . . 87 LEU CA . 26952 1 256 . 1 . 1 60 60 LEU CB C 13 43.557 0.000 . 1 . . . . . 87 LEU CB . 26952 1 257 . 1 . 1 60 60 LEU N N 15 125.861 0.000 . 1 . . . . . 87 LEU N . 26952 1 258 . 1 . 1 61 61 VAL H H 1 8.195 0.002 . 1 . . . . . 88 VAL H . 26952 1 259 . 1 . 1 61 61 VAL C C 13 173.769 0.000 . 1 . . . . . 88 VAL C . 26952 1 260 . 1 . 1 61 61 VAL CA C 13 61.047 0.002 . 1 . . . . . 88 VAL CA . 26952 1 261 . 1 . 1 61 61 VAL CB C 13 35.041 0.000 . 1 . . . . . 88 VAL CB . 26952 1 262 . 1 . 1 61 61 VAL N N 15 122.258 0.017 . 1 . . . . . 88 VAL N . 26952 1 263 . 1 . 1 62 62 VAL H H 1 9.207 0.006 . 1 . . . . . 89 VAL H . 26952 1 264 . 1 . 1 62 62 VAL C C 13 175.921 0.000 . 1 . . . . . 89 VAL C . 26952 1 265 . 1 . 1 62 62 VAL CA C 13 60.968 0.002 . 1 . . . . . 89 VAL CA . 26952 1 266 . 1 . 1 62 62 VAL CB C 13 32.510 0.006 . 1 . . . . . 89 VAL CB . 26952 1 267 . 1 . 1 62 62 VAL N N 15 126.611 0.001 . 1 . . . . . 89 VAL N . 26952 1 268 . 1 . 1 63 63 ASP H H 1 9.066 0.002 . 1 . . . . . 90 ASP H . 26952 1 269 . 1 . 1 63 63 ASP C C 13 175.033 0.000 . 1 . . . . . 90 ASP C . 26952 1 270 . 1 . 1 63 63 ASP CA C 13 58.166 0.002 . 1 . . . . . 90 ASP CA . 26952 1 271 . 1 . 1 63 63 ASP N N 15 118.850 0.002 . 1 . . . . . 90 ASP N . 26952 1 272 . 1 . 1 64 64 THR H H 1 7.610 0.002 . 1 . . . . . 91 THR H . 26952 1 273 . 1 . 1 64 64 THR C C 13 171.248 0.000 . 1 . . . . . 91 THR C . 26952 1 274 . 1 . 1 64 64 THR CA C 13 60.014 0.000 . 1 . . . . . 91 THR CA . 26952 1 275 . 1 . 1 64 64 THR CB C 13 67.656 0.000 . 1 . . . . . 91 THR CB . 26952 1 276 . 1 . 1 64 64 THR N N 15 105.803 0.014 . 1 . . . . . 91 THR N . 26952 1 277 . 1 . 1 65 65 ALA H H 1 6.651 0.006 . 1 . . . . . 92 ALA H . 26952 1 278 . 1 . 1 65 65 ALA C C 13 177.757 0.000 . 1 . . . . . 92 ALA C . 26952 1 279 . 1 . 1 65 65 ALA CA C 13 50.241 0.017 . 1 . . . . . 92 ALA CA . 26952 1 280 . 1 . 1 65 65 ALA CB C 13 22.016 0.000 . 1 . . . . . 92 ALA CB . 26952 1 281 . 1 . 1 65 65 ALA N N 15 113.499 0.003 . 1 . . . . . 92 ALA N . 26952 1 282 . 1 . 1 66 66 TRP H H 1 7.086 0.002 . 1 . . . . . 93 TRP H . 26952 1 283 . 1 . 1 66 66 TRP C C 13 177.002 0.000 . 1 . . . . . 93 TRP C . 26952 1 284 . 1 . 1 66 66 TRP CA C 13 59.531 0.007 . 1 . . . . . 93 TRP CA . 26952 1 285 . 1 . 1 66 66 TRP CB C 13 29.447 0.000 . 1 . . . . . 93 TRP CB . 26952 1 286 . 1 . 1 66 66 TRP N N 15 113.685 0.024 . 1 . . . . . 93 TRP N . 26952 1 287 . 1 . 1 67 67 THR H H 1 7.102 0.003 . 1 . . . . . 94 THR H . 26952 1 288 . 1 . 1 67 67 THR C C 13 177.390 0.000 . 1 . . . . . 94 THR C . 26952 1 289 . 1 . 1 67 67 THR CA C 13 57.568 0.006 . 1 . . . . . 94 THR CA . 26952 1 290 . 1 . 1 67 67 THR CB C 13 73.562 0.000 . 1 . . . . . 94 THR CB . 26952 1 291 . 1 . 1 67 67 THR N N 15 98.411 0.001 . 1 . . . . . 94 THR N . 26952 1 292 . 1 . 1 68 68 ASP H H 1 9.368 0.002 . 1 . . . . . 95 ASP H . 26952 1 293 . 1 . 1 68 68 ASP C C 13 178.003 0.000 . 1 . . . . . 95 ASP C . 26952 1 294 . 1 . 1 68 68 ASP CA C 13 58.269 0.005 . 1 . . . . . 95 ASP CA . 26952 1 295 . 1 . 1 68 68 ASP CB C 13 40.591 0.000 . 1 . . . . . 95 ASP CB . 26952 1 296 . 1 . 1 68 68 ASP N N 15 125.952 0.002 . 1 . . . . . 95 ASP N . 26952 1 297 . 1 . 1 69 69 ASP H H 1 8.740 0.001 . 1 . . . . . 96 ASP H . 26952 1 298 . 1 . 1 69 69 ASP C C 13 179.678 0.000 . 1 . . . . . 96 ASP C . 26952 1 299 . 1 . 1 69 69 ASP CA C 13 57.514 0.002 . 1 . . . . . 96 ASP CA . 26952 1 300 . 1 . 1 69 69 ASP CB C 13 40.737 0.000 . 1 . . . . . 96 ASP CB . 26952 1 301 . 1 . 1 69 69 ASP N N 15 119.893 0.002 . 1 . . . . . 96 ASP N . 26952 1 302 . 1 . 1 70 70 GLN H H 1 7.859 0.001 . 1 . . . . . 97 GLN H . 26952 1 303 . 1 . 1 70 70 GLN C C 13 178.356 0.000 . 1 . . . . . 97 GLN C . 26952 1 304 . 1 . 1 70 70 GLN CA C 13 58.123 0.020 . 1 . . . . . 97 GLN CA . 26952 1 305 . 1 . 1 70 70 GLN CB C 13 28.582 0.000 . 1 . . . . . 97 GLN CB . 26952 1 306 . 1 . 1 70 70 GLN N N 15 116.746 0.002 . 1 . . . . . 97 GLN N . 26952 1 307 . 1 . 1 71 71 THR H H 1 8.047 0.006 . 1 . . . . . 98 THR H . 26952 1 308 . 1 . 1 71 71 THR C C 13 175.842 0.000 . 1 . . . . . 98 THR C . 26952 1 309 . 1 . 1 71 71 THR CA C 13 67.024 0.002 . 1 . . . . . 98 THR CA . 26952 1 310 . 1 . 1 71 71 THR CB C 13 69.789 0.000 . 1 . . . . . 98 THR CB . 26952 1 311 . 1 . 1 71 71 THR N N 15 117.117 0.001 . 1 . . . . . 98 THR N . 26952 1 312 . 1 . 1 72 72 ALA H H 1 8.836 0.001 . 1 . . . . . 99 ALA H . 26952 1 313 . 1 . 1 72 72 ALA C C 13 180.502 0.000 . 1 . . . . . 99 ALA C . 26952 1 314 . 1 . 1 72 72 ALA CA C 13 55.343 0.002 . 1 . . . . . 99 ALA CA . 26952 1 315 . 1 . 1 72 72 ALA CB C 13 17.219 0.015 . 1 . . . . . 99 ALA CB . 26952 1 316 . 1 . 1 72 72 ALA N N 15 124.829 0.001 . 1 . . . . . 99 ALA N . 26952 1 317 . 1 . 1 73 73 GLN H H 1 7.596 0.004 . 1 . . . . . 100 GLN H . 26952 1 318 . 1 . 1 73 73 GLN C C 13 178.939 0.000 . 1 . . . . . 100 GLN C . 26952 1 319 . 1 . 1 73 73 GLN CA C 13 59.448 0.017 . 1 . . . . . 100 GLN CA . 26952 1 320 . 1 . 1 73 73 GLN CB C 13 28.531 0.000 . 1 . . . . . 100 GLN CB . 26952 1 321 . 1 . 1 73 73 GLN N N 15 116.943 0.095 . 1 . . . . . 100 GLN N . 26952 1 322 . 1 . 1 74 74 ILE H H 1 7.780 0.005 . 1 . . . . . 101 ILE H . 26952 1 323 . 1 . 1 74 74 ILE C C 13 177.899 0.000 . 1 . . . . . 101 ILE C . 26952 1 324 . 1 . 1 74 74 ILE CA C 13 66.459 0.020 . 1 . . . . . 101 ILE CA . 26952 1 325 . 1 . 1 74 74 ILE CB C 13 37.073 0.006 . 1 . . . . . 101 ILE CB . 26952 1 326 . 1 . 1 74 74 ILE N N 15 120.519 0.006 . 1 . . . . . 101 ILE N . 26952 1 327 . 1 . 1 75 75 LEU H H 1 7.569 0.003 . 1 . . . . . 102 LEU H . 26952 1 328 . 1 . 1 75 75 LEU C C 13 180.273 0.000 . 1 . . . . . 102 LEU C . 26952 1 329 . 1 . 1 75 75 LEU CA C 13 57.483 0.055 . 1 . . . . . 102 LEU CA . 26952 1 330 . 1 . 1 75 75 LEU N N 15 116.103 0.005 . 1 . . . . . 102 LEU N . 26952 1 331 . 1 . 1 76 76 ASN H H 1 8.213 0.002 . 1 . . . . . 103 ASN H . 26952 1 332 . 1 . 1 76 76 ASN C C 13 177.017 0.000 . 1 . . . . . 103 ASN C . 26952 1 333 . 1 . 1 76 76 ASN CA C 13 55.520 0.001 . 1 . . . . . 103 ASN CA . 26952 1 334 . 1 . 1 76 76 ASN CB C 13 37.469 0.002 . 1 . . . . . 103 ASN CB . 26952 1 335 . 1 . 1 76 76 ASN N N 15 119.913 0.002 . 1 . . . . . 103 ASN N . 26952 1 336 . 1 . 1 77 77 TRP H H 1 8.475 0.002 . 1 . . . . . 104 TRP H . 26952 1 337 . 1 . 1 77 77 TRP C C 13 177.241 0.000 . 1 . . . . . 104 TRP C . 26952 1 338 . 1 . 1 77 77 TRP CA C 13 62.318 0.003 . 1 . . . . . 104 TRP CA . 26952 1 339 . 1 . 1 77 77 TRP CB C 13 30.171 0.000 . 1 . . . . . 104 TRP CB . 26952 1 340 . 1 . 1 77 77 TRP N N 15 125.147 0.005 . 1 . . . . . 104 TRP N . 26952 1 341 . 1 . 1 78 78 ILE H H 1 8.478 0.003 . 1 . . . . . 105 ILE H . 26952 1 342 . 1 . 1 78 78 ILE C C 13 178.353 0.000 . 1 . . . . . 105 ILE C . 26952 1 343 . 1 . 1 78 78 ILE CA C 13 65.364 0.001 . 1 . . . . . 105 ILE CA . 26952 1 344 . 1 . 1 78 78 ILE CB C 13 37.834 0.000 . 1 . . . . . 105 ILE CB . 26952 1 345 . 1 . 1 78 78 ILE N N 15 117.878 0.000 . 1 . . . . . 105 ILE N . 26952 1 346 . 1 . 1 79 79 LYS H H 1 7.686 0.003 . 1 . . . . . 106 LYS H . 26952 1 347 . 1 . 1 79 79 LYS C C 13 176.591 0.000 . 1 . . . . . 106 LYS C . 26952 1 348 . 1 . 1 79 79 LYS CA C 13 59.226 0.004 . 1 . . . . . 106 LYS CA . 26952 1 349 . 1 . 1 79 79 LYS CB C 13 31.606 0.024 . 1 . . . . . 106 LYS CB . 26952 1 350 . 1 . 1 79 79 LYS N N 15 120.583 0.014 . 1 . . . . . 106 LYS N . 26952 1 351 . 1 . 1 80 80 GLN H H 1 7.333 0.001 . 1 . . . . . 107 GLN H . 26952 1 352 . 1 . 1 80 80 GLN C C 13 177.272 0.000 . 1 . . . . . 107 GLN C . 26952 1 353 . 1 . 1 80 80 GLN CA C 13 58.060 0.022 . 1 . . . . . 107 GLN CA . 26952 1 354 . 1 . 1 80 80 GLN CB C 13 29.746 0.001 . 1 . . . . . 107 GLN CB . 26952 1 355 . 1 . 1 80 80 GLN N N 15 114.931 0.005 . 1 . . . . . 107 GLN N . 26952 1 356 . 1 . 1 81 81 GLU H H 1 8.102 0.003 . 1 . . . . . 108 GLU H . 26952 1 357 . 1 . 1 81 81 GLU C C 13 176.657 0.000 . 1 . . . . . 108 GLU C . 26952 1 358 . 1 . 1 81 81 GLU CA C 13 56.438 0.025 . 1 . . . . . 108 GLU CA . 26952 1 359 . 1 . 1 81 81 GLU CB C 13 28.921 0.063 . 1 . . . . . 108 GLU CB . 26952 1 360 . 1 . 1 81 81 GLU N N 15 115.296 0.080 . 1 . . . . . 108 GLU N . 26952 1 361 . 1 . 1 82 82 ILE H H 1 7.397 0.003 . 1 . . . . . 109 ILE H . 26952 1 362 . 1 . 1 82 82 ILE C C 13 176.334 0.000 . 1 . . . . . 109 ILE C . 26952 1 363 . 1 . 1 82 82 ILE CA C 13 61.942 0.006 . 1 . . . . . 109 ILE CA . 26952 1 364 . 1 . 1 82 82 ILE CB C 13 38.791 0.000 . 1 . . . . . 109 ILE CB . 26952 1 365 . 1 . 1 82 82 ILE N N 15 117.561 0.001 . 1 . . . . . 109 ILE N . 26952 1 366 . 1 . 1 83 83 ASN H H 1 8.724 0.001 . 1 . . . . . 110 ASN H . 26952 1 367 . 1 . 1 83 83 ASN CA C 13 53.407 0.000 . 1 . . . . . 110 ASN CA . 26952 1 368 . 1 . 1 83 83 ASN CB C 13 36.257 0.000 . 1 . . . . . 110 ASN CB . 26952 1 369 . 1 . 1 83 83 ASN N N 15 115.206 0.001 . 1 . . . . . 110 ASN N . 26952 1 370 . 1 . 1 84 84 LEU H H 1 6.275 0.000 . 1 . . . . . 111 LEU H . 26952 1 371 . 1 . 1 84 84 LEU N N 15 115.568 0.000 . 1 . . . . . 111 LEU N . 26952 1 372 . 1 . 1 85 85 PRO C C 13 175.812 0.000 . 1 . . . . . 112 PRO C . 26952 1 373 . 1 . 1 85 85 PRO CA C 13 61.863 0.000 . 1 . . . . . 112 PRO CA . 26952 1 374 . 1 . 1 85 85 PRO CB C 13 32.051 0.000 . 1 . . . . . 112 PRO CB . 26952 1 375 . 1 . 1 86 86 VAL H H 1 8.516 0.002 . 1 . . . . . 113 VAL H . 26952 1 376 . 1 . 1 86 86 VAL C C 13 175.987 0.000 . 1 . . . . . 113 VAL C . 26952 1 377 . 1 . 1 86 86 VAL CA C 13 60.907 0.004 . 1 . . . . . 113 VAL CA . 26952 1 378 . 1 . 1 86 86 VAL CB C 13 30.134 0.010 . 1 . . . . . 113 VAL CB . 26952 1 379 . 1 . 1 86 86 VAL N N 15 121.473 0.002 . 1 . . . . . 113 VAL N . 26952 1 380 . 1 . 1 87 87 ALA H H 1 9.157 0.002 . 1 . . . . . 114 ALA H . 26952 1 381 . 1 . 1 87 87 ALA C C 13 178.047 0.000 . 1 . . . . . 114 ALA C . 26952 1 382 . 1 . 1 87 87 ALA CA C 13 53.668 0.012 . 1 . . . . . 114 ALA CA . 26952 1 383 . 1 . 1 87 87 ALA CB C 13 21.451 0.009 . 1 . . . . . 114 ALA CB . 26952 1 384 . 1 . 1 87 87 ALA N N 15 129.319 0.008 . 1 . . . . . 114 ALA N . 26952 1 385 . 1 . 1 88 88 LEU H H 1 7.383 0.002 . 1 . . . . . 115 LEU H . 26952 1 386 . 1 . 1 88 88 LEU C C 13 173.632 0.000 . 1 . . . . . 115 LEU C . 26952 1 387 . 1 . 1 88 88 LEU CA C 13 53.938 0.002 . 1 . . . . . 115 LEU CA . 26952 1 388 . 1 . 1 88 88 LEU CB C 13 43.141 0.020 . 1 . . . . . 115 LEU CB . 26952 1 389 . 1 . 1 88 88 LEU N N 15 110.370 0.000 . 1 . . . . . 115 LEU N . 26952 1 390 . 1 . 1 89 89 ALA H H 1 8.822 0.003 . 1 . . . . . 116 ALA H . 26952 1 391 . 1 . 1 89 89 ALA C C 13 175.335 0.000 . 1 . . . . . 116 ALA C . 26952 1 392 . 1 . 1 89 89 ALA CA C 13 49.190 0.021 . 1 . . . . . 116 ALA CA . 26952 1 393 . 1 . 1 89 89 ALA CB C 13 23.811 0.028 . 1 . . . . . 116 ALA CB . 26952 1 394 . 1 . 1 89 89 ALA N N 15 120.098 0.001 . 1 . . . . . 116 ALA N . 26952 1 395 . 1 . 1 90 90 VAL H H 1 8.898 0.002 . 1 . . . . . 117 VAL H . 26952 1 396 . 1 . 1 90 90 VAL C C 13 173.640 0.000 . 1 . . . . . 117 VAL C . 26952 1 397 . 1 . 1 90 90 VAL CA C 13 58.719 0.009 . 1 . . . . . 117 VAL CA . 26952 1 398 . 1 . 1 90 90 VAL CB C 13 34.859 0.009 . 1 . . . . . 117 VAL CB . 26952 1 399 . 1 . 1 90 90 VAL N N 15 121.616 0.036 . 1 . . . . . 117 VAL N . 26952 1 400 . 1 . 1 91 91 VAL H H 1 8.312 0.002 . 1 . . . . . 118 VAL H . 26952 1 401 . 1 . 1 91 91 VAL CA C 13 58.378 0.000 . 1 . . . . . 118 VAL CA . 26952 1 402 . 1 . 1 91 91 VAL CB C 13 33.496 0.000 . 1 . . . . . 118 VAL CB . 26952 1 403 . 1 . 1 91 91 VAL N N 15 118.901 0.011 . 1 . . . . . 118 VAL N . 26952 1 404 . 1 . 1 92 92 THR H H 1 10.653 0.000 . 1 . . . . . 119 THR H . 26952 1 405 . 1 . 1 92 92 THR C C 13 177.495 0.000 . 1 . . . . . 119 THR C . 26952 1 406 . 1 . 1 92 92 THR CA C 13 65.246 0.001 . 1 . . . . . 119 THR CA . 26952 1 407 . 1 . 1 92 92 THR CB C 13 70.138 0.000 . 1 . . . . . 119 THR CB . 26952 1 408 . 1 . 1 92 92 THR N N 15 111.988 0.000 . 1 . . . . . 119 THR N . 26952 1 409 . 1 . 1 93 93 HIS H H 1 6.900 0.003 . 1 . . . . . 120 HIS H . 26952 1 410 . 1 . 1 93 93 HIS C C 13 172.312 0.000 . 1 . . . . . 120 HIS C . 26952 1 411 . 1 . 1 93 93 HIS CA C 13 58.067 0.005 . 1 . . . . . 120 HIS CA . 26952 1 412 . 1 . 1 93 93 HIS CB C 13 29.515 0.000 . 1 . . . . . 120 HIS CB . 26952 1 413 . 1 . 1 93 93 HIS N N 15 107.330 0.068 . 1 . . . . . 120 HIS N . 26952 1 414 . 1 . 1 94 94 ALA H H 1 8.745 0.002 . 1 . . . . . 121 ALA H . 26952 1 415 . 1 . 1 94 94 ALA C C 13 175.798 0.000 . 1 . . . . . 121 ALA C . 26952 1 416 . 1 . 1 94 94 ALA CA C 13 51.428 0.020 . 1 . . . . . 121 ALA CA . 26952 1 417 . 1 . 1 94 94 ALA CB C 13 17.002 0.008 . 1 . . . . . 121 ALA CB . 26952 1 418 . 1 . 1 94 94 ALA N N 15 121.358 0.047 . 1 . . . . . 121 ALA N . 26952 1 419 . 1 . 1 95 95 HIS H H 1 7.261 0.003 . 1 . . . . . 122 HIS H . 26952 1 420 . 1 . 1 95 95 HIS C C 13 177.333 0.000 . 1 . . . . . 122 HIS C . 26952 1 421 . 1 . 1 95 95 HIS CA C 13 52.168 0.001 . 1 . . . . . 122 HIS CA . 26952 1 422 . 1 . 1 95 95 HIS CB C 13 37.303 0.000 . 1 . . . . . 122 HIS CB . 26952 1 423 . 1 . 1 95 95 HIS N N 15 117.916 0.004 . 1 . . . . . 122 HIS N . 26952 1 424 . 1 . 1 96 96 GLN H H 1 9.590 0.003 . 1 . . . . . 123 GLN H . 26952 1 425 . 1 . 1 96 96 GLN C C 13 174.737 0.000 . 1 . . . . . 123 GLN C . 26952 1 426 . 1 . 1 96 96 GLN CA C 13 59.336 0.048 . 1 . . . . . 123 GLN CA . 26952 1 427 . 1 . 1 96 96 GLN CB C 13 33.037 0.000 . 1 . . . . . 123 GLN CB . 26952 1 428 . 1 . 1 96 96 GLN N N 15 123.362 0.009 . 1 . . . . . 123 GLN N . 26952 1 429 . 1 . 1 97 97 ASP H H 1 9.038 0.002 . 1 . . . . . 124 ASP H . 26952 1 430 . 1 . 1 97 97 ASP CA C 13 54.985 0.011 . 1 . . . . . 124 ASP CA . 26952 1 431 . 1 . 1 97 97 ASP N N 15 108.002 0.013 . 1 . . . . . 124 ASP N . 26952 1 432 . 1 . 1 99 99 MET C C 13 176.929 0.000 . 1 . . . . . 126 MET C . 26952 1 433 . 1 . 1 99 99 MET CA C 13 55.012 0.004 . 1 . . . . . 126 MET CA . 26952 1 434 . 1 . 1 100 100 GLY H H 1 7.892 0.003 . 1 . . . . . 127 GLY H . 26952 1 435 . 1 . 1 100 100 GLY C C 13 174.007 0.000 . 1 . . . . . 127 GLY C . 26952 1 436 . 1 . 1 100 100 GLY CA C 13 47.115 0.004 . 1 . . . . . 127 GLY CA . 26952 1 437 . 1 . 1 100 100 GLY N N 15 111.648 0.003 . 1 . . . . . 127 GLY N . 26952 1 438 . 1 . 1 101 101 GLY H H 1 8.074 0.003 . 1 . . . . . 128 GLY H . 26952 1 439 . 1 . 1 101 101 GLY C C 13 175.680 0.000 . 1 . . . . . 128 GLY C . 26952 1 440 . 1 . 1 101 101 GLY CA C 13 44.333 0.009 . 1 . . . . . 128 GLY CA . 26952 1 441 . 1 . 1 101 101 GLY N N 15 104.812 0.039 . 1 . . . . . 128 GLY N . 26952 1 442 . 1 . 1 102 102 MET H H 1 6.654 0.006 . 1 . . . . . 129 MET H . 26952 1 443 . 1 . 1 102 102 MET C C 13 178.352 0.000 . 1 . . . . . 129 MET C . 26952 1 444 . 1 . 1 102 102 MET CA C 13 56.623 0.014 . 1 . . . . . 129 MET CA . 26952 1 445 . 1 . 1 102 102 MET N N 15 115.963 0.006 . 1 . . . . . 129 MET N . 26952 1 446 . 1 . 1 103 103 ASP H H 1 8.941 0.002 . 1 . . . . . 130 ASP H . 26952 1 447 . 1 . 1 103 103 ASP C C 13 179.174 0.000 . 1 . . . . . 130 ASP C . 26952 1 448 . 1 . 1 103 103 ASP CA C 13 57.803 0.006 . 1 . . . . . 130 ASP CA . 26952 1 449 . 1 . 1 103 103 ASP CB C 13 40.341 0.015 . 1 . . . . . 130 ASP CB . 26952 1 450 . 1 . 1 103 103 ASP N N 15 117.270 0.007 . 1 . . . . . 130 ASP N . 26952 1 451 . 1 . 1 104 104 ALA H H 1 7.701 0.001 . 1 . . . . . 131 ALA H . 26952 1 452 . 1 . 1 104 104 ALA C C 13 180.976 0.000 . 1 . . . . . 131 ALA C . 26952 1 453 . 1 . 1 104 104 ALA CA C 13 54.578 0.004 . 1 . . . . . 131 ALA CA . 26952 1 454 . 1 . 1 104 104 ALA CB C 13 18.596 0.004 . 1 . . . . . 131 ALA CB . 26952 1 455 . 1 . 1 104 104 ALA N N 15 121.327 0.018 . 1 . . . . . 131 ALA N . 26952 1 456 . 1 . 1 105 105 LEU H H 1 7.161 0.003 . 1 . . . . . 132 LEU H . 26952 1 457 . 1 . 1 105 105 LEU C C 13 179.223 0.000 . 1 . . . . . 132 LEU C . 26952 1 458 . 1 . 1 105 105 LEU CA C 13 57.168 0.007 . 1 . . . . . 132 LEU CA . 26952 1 459 . 1 . 1 105 105 LEU N N 15 114.883 0.002 . 1 . . . . . 132 LEU N . 26952 1 460 . 1 . 1 106 106 HIS H H 1 8.349 0.003 . 1 . . . . . 133 HIS H . 26952 1 461 . 1 . 1 106 106 HIS C C 13 180.370 0.000 . 1 . . . . . 133 HIS C . 26952 1 462 . 1 . 1 106 106 HIS CA C 13 56.787 0.001 . 1 . . . . . 133 HIS CA . 26952 1 463 . 1 . 1 106 106 HIS CB C 13 27.804 0.017 . 1 . . . . . 133 HIS CB . 26952 1 464 . 1 . 1 106 106 HIS N N 15 120.009 0.031 . 1 . . . . . 133 HIS N . 26952 1 465 . 1 . 1 107 107 ALA H H 1 8.890 0.002 . 1 . . . . . 134 ALA H . 26952 1 466 . 1 . 1 107 107 ALA C C 13 178.656 0.000 . 1 . . . . . 134 ALA C . 26952 1 467 . 1 . 1 107 107 ALA CA C 13 54.468 0.010 . 1 . . . . . 134 ALA CA . 26952 1 468 . 1 . 1 107 107 ALA CB C 13 17.554 0.009 . 1 . . . . . 134 ALA CB . 26952 1 469 . 1 . 1 107 107 ALA N N 15 124.401 0.000 . 1 . . . . . 134 ALA N . 26952 1 470 . 1 . 1 108 108 ALA H H 1 7.078 0.003 . 1 . . . . . 135 ALA H . 26952 1 471 . 1 . 1 108 108 ALA C C 13 177.589 0.000 . 1 . . . . . 135 ALA C . 26952 1 472 . 1 . 1 108 108 ALA CA C 13 51.326 0.004 . 1 . . . . . 135 ALA CA . 26952 1 473 . 1 . 1 108 108 ALA CB C 13 19.239 0.012 . 1 . . . . . 135 ALA CB . 26952 1 474 . 1 . 1 108 108 ALA N N 15 117.997 0.022 . 1 . . . . . 135 ALA N . 26952 1 475 . 1 . 1 109 109 GLY H H 1 8.006 0.004 . 1 . . . . . 136 GLY H . 26952 1 476 . 1 . 1 109 109 GLY C C 13 174.384 0.000 . 1 . . . . . 136 GLY C . 26952 1 477 . 1 . 1 109 109 GLY CA C 13 45.798 0.018 . 1 . . . . . 136 GLY CA . 26952 1 478 . 1 . 1 109 109 GLY N N 15 107.714 0.002 . 1 . . . . . 136 GLY N . 26952 1 479 . 1 . 1 110 110 ILE H H 1 7.652 0.001 . 1 . . . . . 137 ILE H . 26952 1 480 . 1 . 1 110 110 ILE C C 13 175.049 0.001 . 1 . . . . . 137 ILE C . 26952 1 481 . 1 . 1 110 110 ILE CA C 13 61.039 0.001 . 1 . . . . . 137 ILE CA . 26952 1 482 . 1 . 1 110 110 ILE CB C 13 38.635 0.021 . 1 . . . . . 137 ILE CB . 26952 1 483 . 1 . 1 110 110 ILE N N 15 121.953 0.000 . 1 . . . . . 137 ILE N . 26952 1 484 . 1 . 1 111 111 ALA H H 1 7.812 0.003 . 1 . . . . . 138 ALA H . 26952 1 485 . 1 . 1 111 111 ALA C C 13 177.332 0.007 . 1 . . . . . 138 ALA C . 26952 1 486 . 1 . 1 111 111 ALA CA C 13 52.102 0.023 . 1 . . . . . 138 ALA CA . 26952 1 487 . 1 . 1 111 111 ALA CB C 13 19.974 0.037 . 1 . . . . . 138 ALA CB . 26952 1 488 . 1 . 1 111 111 ALA N N 15 130.184 0.115 . 1 . . . . . 138 ALA N . 26952 1 489 . 1 . 1 112 112 THR H H 1 7.333 0.005 . 1 . . . . . 139 THR H . 26952 1 490 . 1 . 1 112 112 THR C C 13 174.207 0.000 . 1 . . . . . 139 THR C . 26952 1 491 . 1 . 1 112 112 THR CA C 13 59.169 0.035 . 1 . . . . . 139 THR CA . 26952 1 492 . 1 . 1 112 112 THR N N 15 109.100 0.002 . 1 . . . . . 139 THR N . 26952 1 493 . 1 . 1 113 113 TYR H H 1 8.941 0.001 . 1 . . . . . 140 TYR H . 26952 1 494 . 1 . 1 113 113 TYR C C 13 174.016 0.000 . 1 . . . . . 140 TYR C . 26952 1 495 . 1 . 1 113 113 TYR CA C 13 56.892 0.008 . 1 . . . . . 140 TYR CA . 26952 1 496 . 1 . 1 113 113 TYR CB C 13 42.800 0.000 . 1 . . . . . 140 TYR CB . 26952 1 497 . 1 . 1 113 113 TYR N N 15 119.564 0.000 . 1 . . . . . 140 TYR N . 26952 1 498 . 1 . 1 114 114 ALA H H 1 8.203 0.004 . 1 . . . . . 141 ALA H . 26952 1 499 . 1 . 1 114 114 ALA CA C 13 50.353 0.014 . 1 . . . . . 141 ALA CA . 26952 1 500 . 1 . 1 114 114 ALA CB C 13 23.744 0.000 . 1 . . . . . 141 ALA CB . 26952 1 501 . 1 . 1 114 114 ALA N N 15 119.149 0.049 . 1 . . . . . 141 ALA N . 26952 1 502 . 1 . 1 115 115 ASN H H 1 10.324 0.000 . 1 . . . . . 142 ASN H . 26952 1 503 . 1 . 1 115 115 ASN C C 13 176.310 0.071 . 1 . . . . . 142 ASN C . 26952 1 504 . 1 . 1 115 115 ASN CA C 13 53.972 0.045 . 1 . . . . . 142 ASN CA . 26952 1 505 . 1 . 1 115 115 ASN N N 15 120.057 0.043 . 1 . . . . . 142 ASN N . 26952 1 506 . 1 . 1 116 116 ALA H H 1 9.379 0.001 . 1 . . . . . 143 ALA H . 26952 1 507 . 1 . 1 116 116 ALA C C 13 180.458 0.000 . 1 . . . . . 143 ALA C . 26952 1 508 . 1 . 1 116 116 ALA CA C 13 55.727 0.011 . 1 . . . . . 143 ALA CA . 26952 1 509 . 1 . 1 116 116 ALA CB C 13 18.427 0.000 . 1 . . . . . 143 ALA CB . 26952 1 510 . 1 . 1 116 116 ALA N N 15 133.816 0.003 . 1 . . . . . 143 ALA N . 26952 1 511 . 1 . 1 117 117 LEU H H 1 7.449 0.002 . 1 . . . . . 144 LEU H . 26952 1 512 . 1 . 1 117 117 LEU C C 13 179.326 0.000 . 1 . . . . . 144 LEU C . 26952 1 513 . 1 . 1 117 117 LEU CA C 13 57.023 0.019 . 1 . . . . . 144 LEU CA . 26952 1 514 . 1 . 1 117 117 LEU CB C 13 41.786 0.000 . 1 . . . . . 144 LEU CB . 26952 1 515 . 1 . 1 117 117 LEU N N 15 114.489 0.002 . 1 . . . . . 144 LEU N . 26952 1 516 . 1 . 1 118 118 SER H H 1 7.467 0.001 . 1 . . . . . 145 SER H . 26952 1 517 . 1 . 1 118 118 SER C C 13 175.590 0.000 . 1 . . . . . 145 SER C . 26952 1 518 . 1 . 1 118 118 SER CA C 13 60.838 0.010 . 1 . . . . . 145 SER CA . 26952 1 519 . 1 . 1 118 118 SER N N 15 114.334 0.000 . 1 . . . . . 145 SER N . 26952 1 520 . 1 . 1 119 119 ASN H H 1 7.365 0.002 . 1 . . . . . 146 ASN H . 26952 1 521 . 1 . 1 119 119 ASN C C 13 176.933 0.000 . 1 . . . . . 146 ASN C . 26952 1 522 . 1 . 1 119 119 ASN CA C 13 54.832 0.007 . 1 . . . . . 146 ASN CA . 26952 1 523 . 1 . 1 119 119 ASN CB C 13 36.903 0.000 . 1 . . . . . 146 ASN CB . 26952 1 524 . 1 . 1 119 119 ASN N N 15 117.436 0.001 . 1 . . . . . 146 ASN N . 26952 1 525 . 1 . 1 120 120 GLN H H 1 7.500 0.004 . 1 . . . . . 147 GLN H . 26952 1 526 . 1 . 1 120 120 GLN C C 13 178.217 0.000 . 1 . . . . . 147 GLN C . 26952 1 527 . 1 . 1 120 120 GLN CA C 13 57.584 0.006 . 1 . . . . . 147 GLN CA . 26952 1 528 . 1 . 1 120 120 GLN CB C 13 28.858 0.000 . 1 . . . . . 147 GLN CB . 26952 1 529 . 1 . 1 120 120 GLN N N 15 119.081 0.002 . 1 . . . . . 147 GLN N . 26952 1 530 . 1 . 1 121 121 LEU H H 1 7.845 0.003 . 1 . . . . . 148 LEU H . 26952 1 531 . 1 . 1 121 121 LEU C C 13 178.874 0.000 . 1 . . . . . 148 LEU C . 26952 1 532 . 1 . 1 121 121 LEU CA C 13 56.577 0.001 . 1 . . . . . 148 LEU CA . 26952 1 533 . 1 . 1 121 121 LEU N N 15 118.667 0.003 . 1 . . . . . 148 LEU N . 26952 1 534 . 1 . 1 122 122 ALA H H 1 8.135 0.002 . 1 . . . . . 149 ALA H . 26952 1 535 . 1 . 1 122 122 ALA CA C 13 57.527 0.002 . 1 . . . . . 149 ALA CA . 26952 1 536 . 1 . 1 122 122 ALA CB C 13 14.433 0.000 . 1 . . . . . 149 ALA CB . 26952 1 537 . 1 . 1 122 122 ALA N N 15 119.590 0.002 . 1 . . . . . 149 ALA N . 26952 1 538 . 1 . 1 123 123 PRO C C 13 180.430 0.000 . 1 . . . . . 150 PRO C . 26952 1 539 . 1 . 1 123 123 PRO CA C 13 65.294 0.000 . 1 . . . . . 150 PRO CA . 26952 1 540 . 1 . 1 123 123 PRO CB C 13 30.532 0.000 . 1 . . . . . 150 PRO CB . 26952 1 541 . 1 . 1 124 124 GLN H H 1 7.475 0.003 . 1 . . . . . 151 GLN H . 26952 1 542 . 1 . 1 124 124 GLN C C 13 177.348 0.000 . 1 . . . . . 151 GLN C . 26952 1 543 . 1 . 1 124 124 GLN CA C 13 57.723 0.012 . 1 . . . . . 151 GLN CA . 26952 1 544 . 1 . 1 124 124 GLN CB C 13 28.084 0.014 . 1 . . . . . 151 GLN CB . 26952 1 545 . 1 . 1 124 124 GLN N N 15 116.549 0.020 . 1 . . . . . 151 GLN N . 26952 1 546 . 1 . 1 125 125 GLU H H 1 7.611 0.003 . 1 . . . . . 152 GLU H . 26952 1 547 . 1 . 1 125 125 GLU C C 13 176.527 0.000 . 1 . . . . . 152 GLU C . 26952 1 548 . 1 . 1 125 125 GLU CA C 13 54.425 0.012 . 1 . . . . . 152 GLU CA . 26952 1 549 . 1 . 1 125 125 GLU CB C 13 30.014 0.014 . 1 . . . . . 152 GLU CB . 26952 1 550 . 1 . 1 125 125 GLU N N 15 116.654 0.000 . 1 . . . . . 152 GLU N . 26952 1 551 . 1 . 1 126 126 GLY H H 1 7.696 0.003 . 1 . . . . . 153 GLY H . 26952 1 552 . 1 . 1 126 126 GLY C C 13 174.571 0.000 . 1 . . . . . 153 GLY C . 26952 1 553 . 1 . 1 126 126 GLY CA C 13 45.781 0.024 . 1 . . . . . 153 GLY CA . 26952 1 554 . 1 . 1 126 126 GLY N N 15 106.492 0.005 . 1 . . . . . 153 GLY N . 26952 1 555 . 1 . 1 127 127 MET H H 1 7.958 0.001 . 1 . . . . . 154 MET H . 26952 1 556 . 1 . 1 127 127 MET C C 13 174.243 0.000 . 1 . . . . . 154 MET C . 26952 1 557 . 1 . 1 127 127 MET CA C 13 53.148 0.002 . 1 . . . . . 154 MET CA . 26952 1 558 . 1 . 1 127 127 MET CB C 13 36.228 0.000 . 1 . . . . . 154 MET CB . 26952 1 559 . 1 . 1 127 127 MET N N 15 118.869 0.001 . 1 . . . . . 154 MET N . 26952 1 560 . 1 . 1 128 128 VAL H H 1 8.360 0.001 . 1 . . . . . 155 VAL H . 26952 1 561 . 1 . 1 128 128 VAL C C 13 173.911 0.000 . 1 . . . . . 155 VAL C . 26952 1 562 . 1 . 1 128 128 VAL CA C 13 61.792 0.002 . 1 . . . . . 155 VAL CA . 26952 1 563 . 1 . 1 128 128 VAL CB C 13 32.971 0.012 . 1 . . . . . 155 VAL CB . 26952 1 564 . 1 . 1 128 128 VAL N N 15 123.354 0.003 . 1 . . . . . 155 VAL N . 26952 1 565 . 1 . 1 129 129 ALA H H 1 7.831 0.001 . 1 . . . . . 156 ALA H . 26952 1 566 . 1 . 1 129 129 ALA C C 13 178.583 0.000 . 1 . . . . . 156 ALA C . 26952 1 567 . 1 . 1 129 129 ALA CA C 13 51.849 0.010 . 1 . . . . . 156 ALA CA . 26952 1 568 . 1 . 1 129 129 ALA CB C 13 19.161 0.007 . 1 . . . . . 156 ALA CB . 26952 1 569 . 1 . 1 129 129 ALA N N 15 123.349 0.001 . 1 . . . . . 156 ALA N . 26952 1 570 . 1 . 1 130 130 ALA H H 1 7.695 0.002 . 1 . . . . . 157 ALA H . 26952 1 571 . 1 . 1 130 130 ALA C C 13 176.501 0.000 . 1 . . . . . 157 ALA C . 26952 1 572 . 1 . 1 130 130 ALA CA C 13 51.163 0.021 . 1 . . . . . 157 ALA CA . 26952 1 573 . 1 . 1 130 130 ALA CB C 13 19.415 0.000 . 1 . . . . . 157 ALA CB . 26952 1 574 . 1 . 1 130 130 ALA N N 15 118.935 0.037 . 1 . . . . . 157 ALA N . 26952 1 575 . 1 . 1 131 131 GLN H H 1 8.621 0.002 . 1 . . . . . 158 GLN H . 26952 1 576 . 1 . 1 131 131 GLN C C 13 176.392 0.000 . 1 . . . . . 158 GLN C . 26952 1 577 . 1 . 1 131 131 GLN CA C 13 57.031 0.017 . 1 . . . . . 158 GLN CA . 26952 1 578 . 1 . 1 131 131 GLN CB C 13 28.796 0.000 . 1 . . . . . 158 GLN CB . 26952 1 579 . 1 . 1 131 131 GLN N N 15 118.135 0.002 . 1 . . . . . 158 GLN N . 26952 1 580 . 1 . 1 132 132 HIS H H 1 7.927 0.002 . 1 . . . . . 159 HIS H . 26952 1 581 . 1 . 1 132 132 HIS C C 13 175.531 0.000 . 1 . . . . . 159 HIS C . 26952 1 582 . 1 . 1 132 132 HIS CA C 13 53.904 0.013 . 1 . . . . . 159 HIS CA . 26952 1 583 . 1 . 1 132 132 HIS CB C 13 32.665 0.000 . 1 . . . . . 159 HIS CB . 26952 1 584 . 1 . 1 132 132 HIS N N 15 114.158 0.006 . 1 . . . . . 159 HIS N . 26952 1 585 . 1 . 1 133 133 SER H H 1 9.154 0.003 . 1 . . . . . 160 SER H . 26952 1 586 . 1 . 1 133 133 SER C C 13 174.080 0.000 . 1 . . . . . 160 SER C . 26952 1 587 . 1 . 1 133 133 SER CA C 13 57.209 0.030 . 1 . . . . . 160 SER CA . 26952 1 588 . 1 . 1 133 133 SER CB C 13 64.807 0.000 . 1 . . . . . 160 SER CB . 26952 1 589 . 1 . 1 133 133 SER N N 15 118.979 0.000 . 1 . . . . . 160 SER N . 26952 1 590 . 1 . 1 134 134 LEU H H 1 9.285 0.001 . 1 . . . . . 161 LEU H . 26952 1 591 . 1 . 1 134 134 LEU C C 13 175.939 0.000 . 1 . . . . . 161 LEU C . 26952 1 592 . 1 . 1 134 134 LEU CA C 13 53.253 0.027 . 1 . . . . . 161 LEU CA . 26952 1 593 . 1 . 1 134 134 LEU CB C 13 43.378 0.000 . 1 . . . . . 161 LEU CB . 26952 1 594 . 1 . 1 134 134 LEU N N 15 125.973 0.004 . 1 . . . . . 161 LEU N . 26952 1 595 . 1 . 1 135 135 THR H H 1 7.508 0.002 . 1 . . . . . 162 THR H . 26952 1 596 . 1 . 1 135 135 THR C C 13 172.461 0.000 . 1 . . . . . 162 THR C . 26952 1 597 . 1 . 1 135 135 THR CA C 13 59.931 0.004 . 1 . . . . . 162 THR CA . 26952 1 598 . 1 . 1 135 135 THR CB C 13 70.398 0.013 . 1 . . . . . 162 THR CB . 26952 1 599 . 1 . 1 135 135 THR N N 15 112.522 0.001 . 1 . . . . . 162 THR N . 26952 1 600 . 1 . 1 136 136 PHE H H 1 8.764 0.003 . 1 . . . . . 163 PHE H . 26952 1 601 . 1 . 1 136 136 PHE C C 13 175.482 0.000 . 1 . . . . . 163 PHE C . 26952 1 602 . 1 . 1 136 136 PHE CA C 13 57.695 0.001 . 1 . . . . . 163 PHE CA . 26952 1 603 . 1 . 1 136 136 PHE CB C 13 41.616 0.000 . 1 . . . . . 163 PHE CB . 26952 1 604 . 1 . 1 136 136 PHE N N 15 118.181 0.030 . 1 . . . . . 163 PHE N . 26952 1 605 . 1 . 1 137 137 ALA H H 1 8.781 0.003 . 1 . . . . . 164 ALA H . 26952 1 606 . 1 . 1 137 137 ALA C C 13 179.108 0.000 . 1 . . . . . 164 ALA C . 26952 1 607 . 1 . 1 137 137 ALA CA C 13 51.091 0.005 . 1 . . . . . 164 ALA CA . 26952 1 608 . 1 . 1 137 137 ALA CB C 13 19.879 0.000 . 1 . . . . . 164 ALA CB . 26952 1 609 . 1 . 1 137 137 ALA N N 15 124.811 0.014 . 1 . . . . . 164 ALA N . 26952 1 610 . 1 . 1 138 138 ALA H H 1 9.010 0.002 . 1 . . . . . 165 ALA H . 26952 1 611 . 1 . 1 138 138 ALA C C 13 178.582 0.000 . 1 . . . . . 165 ALA C . 26952 1 612 . 1 . 1 138 138 ALA CA C 13 54.734 0.005 . 1 . . . . . 165 ALA CA . 26952 1 613 . 1 . 1 138 138 ALA N N 15 124.266 0.088 . 1 . . . . . 165 ALA N . 26952 1 614 . 1 . 1 139 139 ASN H H 1 7.764 0.004 . 1 . . . . . 166 ASN H . 26952 1 615 . 1 . 1 139 139 ASN C C 13 175.935 0.000 . 1 . . . . . 166 ASN C . 26952 1 616 . 1 . 1 139 139 ASN CA C 13 52.133 0.001 . 1 . . . . . 166 ASN CA . 26952 1 617 . 1 . 1 139 139 ASN CB C 13 37.087 0.006 . 1 . . . . . 166 ASN CB . 26952 1 618 . 1 . 1 139 139 ASN N N 15 112.016 0.002 . 1 . . . . . 166 ASN N . 26952 1 619 . 1 . 1 140 140 GLY H H 1 8.089 0.002 . 1 . . . . . 167 GLY H . 26952 1 620 . 1 . 1 140 140 GLY C C 13 174.304 0.000 . 1 . . . . . 167 GLY C . 26952 1 621 . 1 . 1 140 140 GLY CA C 13 45.749 0.010 . 1 . . . . . 167 GLY CA . 26952 1 622 . 1 . 1 140 140 GLY N N 15 107.290 0.000 . 1 . . . . . 167 GLY N . 26952 1 623 . 1 . 1 141 141 TRP H H 1 7.747 0.003 . 1 . . . . . 168 TRP H . 26952 1 624 . 1 . 1 141 141 TRP C C 13 175.837 0.000 . 1 . . . . . 168 TRP C . 26952 1 625 . 1 . 1 141 141 TRP CA C 13 57.812 0.002 . 1 . . . . . 168 TRP CA . 26952 1 626 . 1 . 1 141 141 TRP CB C 13 29.625 0.000 . 1 . . . . . 168 TRP CB . 26952 1 627 . 1 . 1 141 141 TRP N N 15 121.418 0.000 . 1 . . . . . 168 TRP N . 26952 1 628 . 1 . 1 142 142 VAL H H 1 8.224 0.002 . 1 . . . . . 169 VAL H . 26952 1 629 . 1 . 1 142 142 VAL C C 13 174.628 0.000 . 1 . . . . . 169 VAL C . 26952 1 630 . 1 . 1 142 142 VAL CA C 13 61.676 0.018 . 1 . . . . . 169 VAL CA . 26952 1 631 . 1 . 1 142 142 VAL CB C 13 32.435 0.000 . 1 . . . . . 169 VAL CB . 26952 1 632 . 1 . 1 142 142 VAL N N 15 121.923 0.007 . 1 . . . . . 169 VAL N . 26952 1 633 . 1 . 1 143 143 GLU H H 1 8.749 0.002 . 1 . . . . . 170 GLU H . 26952 1 634 . 1 . 1 143 143 GLU CA C 13 53.973 0.010 . 1 . . . . . 170 GLU CA . 26952 1 635 . 1 . 1 143 143 GLU CB C 13 28.262 0.000 . 1 . . . . . 170 GLU CB . 26952 1 636 . 1 . 1 143 143 GLU N N 15 128.440 0.020 . 1 . . . . . 170 GLU N . 26952 1 637 . 1 . 1 144 144 PRO C C 13 178.616 0.000 . 1 . . . . . 171 PRO C . 26952 1 638 . 1 . 1 144 144 PRO CA C 13 65.366 0.003 . 1 . . . . . 171 PRO CA . 26952 1 639 . 1 . 1 144 144 PRO CB C 13 31.866 0.000 . 1 . . . . . 171 PRO CB . 26952 1 640 . 1 . 1 145 145 ALA H H 1 8.776 0.003 . 1 . . . . . 172 ALA H . 26952 1 641 . 1 . 1 145 145 ALA C C 13 179.276 0.000 . 1 . . . . . 172 ALA C . 26952 1 642 . 1 . 1 145 145 ALA CA C 13 54.226 0.020 . 1 . . . . . 172 ALA CA . 26952 1 643 . 1 . 1 145 145 ALA CB C 13 18.292 0.021 . 1 . . . . . 172 ALA CB . 26952 1 644 . 1 . 1 145 145 ALA N N 15 118.484 0.026 . 1 . . . . . 172 ALA N . 26952 1 645 . 1 . 1 146 146 THR H H 1 7.970 0.004 . 1 . . . . . 173 THR H . 26952 1 646 . 1 . 1 146 146 THR C C 13 172.176 0.000 . 1 . . . . . 173 THR C . 26952 1 647 . 1 . 1 146 146 THR CA C 13 60.937 0.018 . 1 . . . . . 173 THR CA . 26952 1 648 . 1 . 1 146 146 THR CB C 13 70.024 0.006 . 1 . . . . . 173 THR CB . 26952 1 649 . 1 . 1 146 146 THR N N 15 104.917 0.072 . 1 . . . . . 173 THR N . 26952 1 650 . 1 . 1 147 147 ALA H H 1 6.901 0.002 . 1 . . . . . 174 ALA H . 26952 1 651 . 1 . 1 147 147 ALA CA C 13 48.856 0.000 . 1 . . . . . 174 ALA CA . 26952 1 652 . 1 . 1 147 147 ALA CB C 13 18.555 0.000 . 1 . . . . . 174 ALA CB . 26952 1 653 . 1 . 1 147 147 ALA N N 15 124.101 0.001 . 1 . . . . . 174 ALA N . 26952 1 654 . 1 . 1 148 148 PRO C C 13 177.140 0.000 . 1 . . . . . 175 PRO C . 26952 1 655 . 1 . 1 148 148 PRO CA C 13 62.342 0.000 . 1 . . . . . 175 PRO CA . 26952 1 656 . 1 . 1 148 148 PRO CB C 13 31.542 0.000 . 1 . . . . . 175 PRO CB . 26952 1 657 . 1 . 1 149 149 ASN H H 1 8.759 0.001 . 1 . . . . . 176 ASN H . 26952 1 658 . 1 . 1 149 149 ASN C C 13 177.539 0.000 . 1 . . . . . 176 ASN C . 26952 1 659 . 1 . 1 149 149 ASN CA C 13 53.167 0.001 . 1 . . . . . 176 ASN CA . 26952 1 660 . 1 . 1 149 149 ASN CB C 13 36.889 0.010 . 1 . . . . . 176 ASN CB . 26952 1 661 . 1 . 1 149 149 ASN N N 15 115.937 0.005 . 1 . . . . . 176 ASN N . 26952 1 662 . 1 . 1 150 150 PHE H H 1 8.223 0.000 . 1 . . . . . 177 PHE H . 26952 1 663 . 1 . 1 150 150 PHE C C 13 176.716 0.000 . 1 . . . . . 177 PHE C . 26952 1 664 . 1 . 1 150 150 PHE CA C 13 58.330 0.003 . 1 . . . . . 177 PHE CA . 26952 1 665 . 1 . 1 150 150 PHE CB C 13 38.117 0.005 . 1 . . . . . 177 PHE CB . 26952 1 666 . 1 . 1 150 150 PHE N N 15 121.919 0.022 . 1 . . . . . 177 PHE N . 26952 1 667 . 1 . 1 151 151 GLY H H 1 8.437 0.002 . 1 . . . . . 178 GLY H . 26952 1 668 . 1 . 1 151 151 GLY CA C 13 44.786 0.011 . 1 . . . . . 178 GLY CA . 26952 1 669 . 1 . 1 151 151 GLY N N 15 107.965 0.002 . 1 . . . . . 178 GLY N . 26952 1 670 . 1 . 1 152 152 PRO C C 13 176.136 0.000 . 1 . . . . . 179 PRO C . 26952 1 671 . 1 . 1 152 152 PRO CA C 13 62.707 0.002 . 1 . . . . . 179 PRO CA . 26952 1 672 . 1 . 1 152 152 PRO CB C 13 32.521 0.000 . 1 . . . . . 179 PRO CB . 26952 1 673 . 1 . 1 153 153 LEU H H 1 7.820 0.003 . 1 . . . . . 180 LEU H . 26952 1 674 . 1 . 1 153 153 LEU C C 13 175.911 0.000 . 1 . . . . . 180 LEU C . 26952 1 675 . 1 . 1 153 153 LEU CA C 13 55.229 0.002 . 1 . . . . . 180 LEU CA . 26952 1 676 . 1 . 1 153 153 LEU CB C 13 40.745 0.008 . 1 . . . . . 180 LEU CB . 26952 1 677 . 1 . 1 153 153 LEU N N 15 119.382 0.002 . 1 . . . . . 180 LEU N . 26952 1 678 . 1 . 1 154 154 LYS H H 1 9.138 0.002 . 1 . . . . . 181 LYS H . 26952 1 679 . 1 . 1 154 154 LYS C C 13 176.029 0.000 . 1 . . . . . 181 LYS C . 26952 1 680 . 1 . 1 154 154 LYS CA C 13 53.949 0.005 . 1 . . . . . 181 LYS CA . 26952 1 681 . 1 . 1 154 154 LYS CB C 13 32.813 0.000 . 1 . . . . . 181 LYS CB . 26952 1 682 . 1 . 1 154 154 LYS N N 15 127.194 0.001 . 1 . . . . . 181 LYS N . 26952 1 683 . 1 . 1 155 155 VAL H H 1 8.579 0.001 . 1 . . . . . 182 VAL H . 26952 1 684 . 1 . 1 155 155 VAL C C 13 173.316 0.000 . 1 . . . . . 182 VAL C . 26952 1 685 . 1 . 1 155 155 VAL CA C 13 63.067 0.006 . 1 . . . . . 182 VAL CA . 26952 1 686 . 1 . 1 155 155 VAL CB C 13 32.465 0.000 . 1 . . . . . 182 VAL CB . 26952 1 687 . 1 . 1 155 155 VAL N N 15 124.292 0.002 . 1 . . . . . 182 VAL N . 26952 1 688 . 1 . 1 156 156 PHE H H 1 8.841 0.002 . 1 . . . . . 183 PHE H . 26952 1 689 . 1 . 1 156 156 PHE C C 13 174.403 0.000 . 1 . . . . . 183 PHE C . 26952 1 690 . 1 . 1 156 156 PHE CA C 13 56.011 0.010 . 1 . . . . . 183 PHE CA . 26952 1 691 . 1 . 1 156 156 PHE N N 15 127.710 0.000 . 1 . . . . . 183 PHE N . 26952 1 692 . 1 . 1 157 157 TYR H H 1 9.298 0.004 . 1 . . . . . 184 TYR H . 26952 1 693 . 1 . 1 157 157 TYR CA C 13 52.076 0.000 . 1 . . . . . 184 TYR CA . 26952 1 694 . 1 . 1 157 157 TYR N N 15 133.577 0.011 . 1 . . . . . 184 TYR N . 26952 1 695 . 1 . 1 160 160 PRO C C 13 177.752 0.000 . 1 . . . . . 187 PRO C . 26952 1 696 . 1 . 1 160 160 PRO CA C 13 61.995 0.000 . 1 . . . . . 187 PRO CA . 26952 1 697 . 1 . 1 161 161 GLY H H 1 7.618 0.004 . 1 . . . . . 188 GLY H . 26952 1 698 . 1 . 1 161 161 GLY C C 13 171.629 0.000 . 1 . . . . . 188 GLY C . 26952 1 699 . 1 . 1 161 161 GLY CA C 13 46.975 0.022 . 1 . . . . . 188 GLY CA . 26952 1 700 . 1 . 1 161 161 GLY N N 15 107.896 0.069 . 1 . . . . . 188 GLY N . 26952 1 701 . 1 . 1 162 162 HIS H H 1 7.210 0.004 . 1 . . . . . 189 HIS H . 26952 1 702 . 1 . 1 162 162 HIS C C 13 173.531 0.000 . 1 . . . . . 189 HIS C . 26952 1 703 . 1 . 1 162 162 HIS CA C 13 60.370 0.005 . 1 . . . . . 189 HIS CA . 26952 1 704 . 1 . 1 162 162 HIS N N 15 131.970 0.002 . 1 . . . . . 189 HIS N . 26952 1 705 . 1 . 1 163 163 THR H H 1 7.459 0.001 . 1 . . . . . 190 THR H . 26952 1 706 . 1 . 1 163 163 THR C C 13 177.010 0.000 . 1 . . . . . 190 THR C . 26952 1 707 . 1 . 1 163 163 THR CA C 13 59.462 0.011 . 1 . . . . . 190 THR CA . 26952 1 708 . 1 . 1 163 163 THR CB C 13 72.487 0.000 . 1 . . . . . 190 THR CB . 26952 1 709 . 1 . 1 163 163 THR N N 15 102.680 0.002 . 1 . . . . . 190 THR N . 26952 1 710 . 1 . 1 164 164 SER H H 1 9.520 0.003 . 1 . . . . . 191 SER H . 26952 1 711 . 1 . 1 164 164 SER C C 13 174.158 0.000 . 1 . . . . . 191 SER C . 26952 1 712 . 1 . 1 164 164 SER CA C 13 61.405 0.006 . 1 . . . . . 191 SER CA . 26952 1 713 . 1 . 1 164 164 SER CB C 13 62.561 0.000 . 1 . . . . . 191 SER CB . 26952 1 714 . 1 . 1 164 164 SER N N 15 115.924 0.004 . 1 . . . . . 191 SER N . 26952 1 715 . 1 . 1 165 165 ASP H H 1 9.310 0.002 . 1 . . . . . 192 ASP H . 26952 1 716 . 1 . 1 165 165 ASP C C 13 174.728 0.000 . 1 . . . . . 192 ASP C . 26952 1 717 . 1 . 1 165 165 ASP CA C 13 52.593 0.005 . 1 . . . . . 192 ASP CA . 26952 1 718 . 1 . 1 165 165 ASP CB C 13 40.115 0.000 . 1 . . . . . 192 ASP CB . 26952 1 719 . 1 . 1 165 165 ASP N N 15 113.592 0.005 . 1 . . . . . 192 ASP N . 26952 1 720 . 1 . 1 166 166 ASN H H 1 6.643 0.002 . 1 . . . . . 193 ASN H . 26952 1 721 . 1 . 1 166 166 ASN C C 13 175.334 0.000 . 1 . . . . . 193 ASN C . 26952 1 722 . 1 . 1 166 166 ASN CA C 13 54.206 0.009 . 1 . . . . . 193 ASN CA . 26952 1 723 . 1 . 1 166 166 ASN N N 15 116.154 0.002 . 1 . . . . . 193 ASN N . 26952 1 724 . 1 . 1 167 167 ILE H H 1 8.500 0.004 . 1 . . . . . 194 ILE H . 26952 1 725 . 1 . 1 167 167 ILE C C 13 175.037 0.000 . 1 . . . . . 194 ILE C . 26952 1 726 . 1 . 1 167 167 ILE CA C 13 59.848 0.002 . 1 . . . . . 194 ILE CA . 26952 1 727 . 1 . 1 167 167 ILE N N 15 113.405 0.006 . 1 . . . . . 194 ILE N . 26952 1 728 . 1 . 1 168 168 THR H H 1 8.948 0.003 . 1 . . . . . 195 THR H . 26952 1 729 . 1 . 1 168 168 THR C C 13 173.040 0.000 . 1 . . . . . 195 THR C . 26952 1 730 . 1 . 1 168 168 THR CA C 13 59.998 0.010 . 1 . . . . . 195 THR CA . 26952 1 731 . 1 . 1 168 168 THR N N 15 110.761 0.002 . 1 . . . . . 195 THR N . 26952 1 732 . 1 . 1 169 169 VAL H H 1 8.452 0.001 . 1 . . . . . 196 VAL H . 26952 1 733 . 1 . 1 169 169 VAL C C 13 173.734 0.000 . 1 . . . . . 196 VAL C . 26952 1 734 . 1 . 1 169 169 VAL CA C 13 60.318 0.004 . 1 . . . . . 196 VAL CA . 26952 1 735 . 1 . 1 169 169 VAL CB C 13 37.158 0.078 . 1 . . . . . 196 VAL CB . 26952 1 736 . 1 . 1 169 169 VAL N N 15 116.101 0.015 . 1 . . . . . 196 VAL N . 26952 1 737 . 1 . 1 170 170 GLY H H 1 9.720 0.003 . 1 . . . . . 197 GLY H . 26952 1 738 . 1 . 1 170 170 GLY C C 13 172.034 0.000 . 1 . . . . . 197 GLY C . 26952 1 739 . 1 . 1 170 170 GLY CA C 13 43.059 0.003 . 1 . . . . . 197 GLY CA . 26952 1 740 . 1 . 1 170 170 GLY N N 15 116.713 0.024 . 1 . . . . . 197 GLY N . 26952 1 741 . 1 . 1 171 171 ILE H H 1 7.049 0.002 . 1 . . . . . 198 ILE H . 26952 1 742 . 1 . 1 171 171 ILE C C 13 175.869 0.000 . 1 . . . . . 198 ILE C . 26952 1 743 . 1 . 1 171 171 ILE CA C 13 59.218 0.001 . 1 . . . . . 198 ILE CA . 26952 1 744 . 1 . 1 171 171 ILE CB C 13 35.295 0.000 . 1 . . . . . 198 ILE CB . 26952 1 745 . 1 . 1 171 171 ILE N N 15 118.874 0.004 . 1 . . . . . 198 ILE N . 26952 1 746 . 1 . 1 172 172 ASP H H 1 9.758 0.003 . 1 . . . . . 199 ASP H . 26952 1 747 . 1 . 1 172 172 ASP C C 13 176.240 0.000 . 1 . . . . . 199 ASP C . 26952 1 748 . 1 . 1 172 172 ASP CA C 13 56.165 0.000 . 1 . . . . . 199 ASP CA . 26952 1 749 . 1 . 1 172 172 ASP CB C 13 41.386 0.027 . 1 . . . . . 199 ASP CB . 26952 1 750 . 1 . 1 172 172 ASP N N 15 131.127 0.010 . 1 . . . . . 199 ASP N . 26952 1 751 . 1 . 1 173 173 GLY H H 1 8.588 0.002 . 1 . . . . . 200 GLY H . 26952 1 752 . 1 . 1 173 173 GLY C C 13 173.862 0.000 . 1 . . . . . 200 GLY C . 26952 1 753 . 1 . 1 173 173 GLY CA C 13 44.922 0.014 . 1 . . . . . 200 GLY CA . 26952 1 754 . 1 . 1 173 173 GLY N N 15 110.267 0.005 . 1 . . . . . 200 GLY N . 26952 1 755 . 1 . 1 174 174 THR H H 1 7.884 0.001 . 1 . . . . . 201 THR H . 26952 1 756 . 1 . 1 174 174 THR C C 13 173.834 0.000 . 1 . . . . . 201 THR C . 26952 1 757 . 1 . 1 174 174 THR CA C 13 59.656 0.025 . 1 . . . . . 201 THR CA . 26952 1 758 . 1 . 1 174 174 THR CB C 13 72.331 0.000 . 1 . . . . . 201 THR CB . 26952 1 759 . 1 . 1 174 174 THR N N 15 108.679 0.001 . 1 . . . . . 201 THR N . 26952 1 760 . 1 . 1 175 175 ASP H H 1 8.888 0.003 . 1 . . . . . 202 ASP H . 26952 1 761 . 1 . 1 175 175 ASP C C 13 175.446 0.000 . 1 . . . . . 202 ASP C . 26952 1 762 . 1 . 1 175 175 ASP CA C 13 53.362 0.017 . 1 . . . . . 202 ASP CA . 26952 1 763 . 1 . 1 175 175 ASP CB C 13 40.837 0.000 . 1 . . . . . 202 ASP CB . 26952 1 764 . 1 . 1 175 175 ASP N N 15 119.122 0.015 . 1 . . . . . 202 ASP N . 26952 1 765 . 1 . 1 176 176 ILE H H 1 8.365 0.004 . 1 . . . . . 203 ILE H . 26952 1 766 . 1 . 1 176 176 ILE C C 13 176.671 0.000 . 1 . . . . . 203 ILE C . 26952 1 767 . 1 . 1 176 176 ILE CA C 13 61.413 0.023 . 1 . . . . . 203 ILE CA . 26952 1 768 . 1 . 1 176 176 ILE CB C 13 39.799 0.000 . 1 . . . . . 203 ILE CB . 26952 1 769 . 1 . 1 176 176 ILE N N 15 119.063 0.004 . 1 . . . . . 203 ILE N . 26952 1 770 . 1 . 1 177 177 ALA H H 1 8.594 0.004 . 1 . . . . . 204 ALA H . 26952 1 771 . 1 . 1 177 177 ALA C C 13 173.909 0.000 . 1 . . . . . 204 ALA C . 26952 1 772 . 1 . 1 177 177 ALA CA C 13 51.448 0.009 . 1 . . . . . 204 ALA CA . 26952 1 773 . 1 . 1 177 177 ALA CB C 13 21.428 0.015 . 1 . . . . . 204 ALA CB . 26952 1 774 . 1 . 1 177 177 ALA N N 15 127.766 0.006 . 1 . . . . . 204 ALA N . 26952 1 775 . 1 . 1 178 178 PHE H H 1 9.831 0.004 . 1 . . . . . 205 PHE H . 26952 1 776 . 1 . 1 178 178 PHE C C 13 174.553 0.000 . 1 . . . . . 205 PHE C . 26952 1 777 . 1 . 1 178 178 PHE CA C 13 55.076 0.008 . 1 . . . . . 205 PHE CA . 26952 1 778 . 1 . 1 178 178 PHE CB C 13 40.842 0.000 . 1 . . . . . 205 PHE CB . 26952 1 779 . 1 . 1 178 178 PHE N N 15 122.609 0.005 . 1 . . . . . 205 PHE N . 26952 1 780 . 1 . 1 179 179 GLY H H 1 8.987 0.003 . 1 . . . . . 206 GLY H . 26952 1 781 . 1 . 1 179 179 GLY CA C 13 43.880 0.000 . 1 . . . . . 206 GLY CA . 26952 1 782 . 1 . 1 179 179 GLY N N 15 112.039 0.004 . 1 . . . . . 206 GLY N . 26952 1 783 . 1 . 1 180 180 GLY C C 13 172.087 0.000 . 1 . . . . . 207 GLY C . 26952 1 784 . 1 . 1 180 180 GLY CA C 13 46.507 0.000 . 1 . . . . . 207 GLY CA . 26952 1 785 . 1 . 1 181 181 CYS H H 1 8.212 0.002 . 1 . . . . . 208 CYS H . 26952 1 786 . 1 . 1 181 181 CYS C C 13 174.299 0.000 . 1 . . . . . 208 CYS C . 26952 1 787 . 1 . 1 181 181 CYS CA C 13 58.210 0.002 . 1 . . . . . 208 CYS CA . 26952 1 788 . 1 . 1 181 181 CYS N N 15 124.849 0.002 . 1 . . . . . 208 CYS N . 26952 1 789 . 1 . 1 182 182 LEU H H 1 6.939 0.006 . 1 . . . . . 209 LEU H . 26952 1 790 . 1 . 1 182 182 LEU CA C 13 56.403 0.004 . 1 . . . . . 209 LEU CA . 26952 1 791 . 1 . 1 182 182 LEU CB C 13 42.809 0.000 . 1 . . . . . 209 LEU CB . 26952 1 792 . 1 . 1 182 182 LEU N N 15 115.916 0.003 . 1 . . . . . 209 LEU N . 26952 1 793 . 1 . 1 183 183 ILE H H 1 5.740 0.000 . 1 . . . . . 210 ILE H . 26952 1 794 . 1 . 1 183 183 ILE C C 13 175.329 0.004 . 1 . . . . . 210 ILE C . 26952 1 795 . 1 . 1 183 183 ILE CA C 13 56.538 0.004 . 1 . . . . . 210 ILE CA . 26952 1 796 . 1 . 1 183 183 ILE N N 15 115.104 0.000 . 1 . . . . . 210 ILE N . 26952 1 797 . 1 . 1 184 184 LYS H H 1 8.212 0.002 . 1 . . . . . 211 LYS H . 26952 1 798 . 1 . 1 184 184 LYS C C 13 174.611 0.000 . 1 . . . . . 211 LYS C . 26952 1 799 . 1 . 1 184 184 LYS CA C 13 52.758 0.005 . 1 . . . . . 211 LYS CA . 26952 1 800 . 1 . 1 184 184 LYS N N 15 124.930 0.090 . 1 . . . . . 211 LYS N . 26952 1 801 . 1 . 1 185 185 ASP H H 1 6.955 0.002 . 1 . . . . . 212 ASP H . 26952 1 802 . 1 . 1 185 185 ASP C C 13 175.742 0.000 . 1 . . . . . 212 ASP C . 26952 1 803 . 1 . 1 185 185 ASP CA C 13 53.758 0.006 . 1 . . . . . 212 ASP CA . 26952 1 804 . 1 . 1 185 185 ASP CB C 13 41.884 0.000 . 1 . . . . . 212 ASP CB . 26952 1 805 . 1 . 1 185 185 ASP N N 15 111.955 0.001 . 1 . . . . . 212 ASP N . 26952 1 806 . 1 . 1 186 186 SER H H 1 8.787 0.001 . 1 . . . . . 213 SER H . 26952 1 807 . 1 . 1 186 186 SER C C 13 173.486 0.000 . 1 . . . . . 213 SER C . 26952 1 808 . 1 . 1 186 186 SER CA C 13 60.747 0.010 . 1 . . . . . 213 SER CA . 26952 1 809 . 1 . 1 186 186 SER CB C 13 62.769 0.000 . 1 . . . . . 213 SER CB . 26952 1 810 . 1 . 1 186 186 SER N N 15 110.175 0.049 . 1 . . . . . 213 SER N . 26952 1 811 . 1 . 1 187 187 LYS H H 1 8.085 0.002 . 1 . . . . . 214 LYS H . 26952 1 812 . 1 . 1 187 187 LYS C C 13 176.978 0.000 . 1 . . . . . 214 LYS C . 26952 1 813 . 1 . 1 187 187 LYS CA C 13 54.581 0.004 . 1 . . . . . 214 LYS CA . 26952 1 814 . 1 . 1 187 187 LYS CB C 13 31.859 0.008 . 1 . . . . . 214 LYS CB . 26952 1 815 . 1 . 1 187 187 LYS N N 15 119.379 0.003 . 1 . . . . . 214 LYS N . 26952 1 816 . 1 . 1 188 188 ALA H H 1 7.648 0.001 . 1 . . . . . 215 ALA H . 26952 1 817 . 1 . 1 188 188 ALA CA C 13 53.103 0.000 . 1 . . . . . 215 ALA CA . 26952 1 818 . 1 . 1 188 188 ALA CB C 13 20.107 0.000 . 1 . . . . . 215 ALA CB . 26952 1 819 . 1 . 1 188 188 ALA N N 15 125.020 0.001 . 1 . . . . . 215 ALA N . 26952 1 820 . 1 . 1 189 189 LYS C C 13 176.136 0.000 . 1 . . . . . 216 LYS C . 26952 1 821 . 1 . 1 189 189 LYS CA C 13 55.918 0.003 . 1 . . . . . 216 LYS CA . 26952 1 822 . 1 . 1 190 190 SER H H 1 7.604 0.001 . 1 . . . . . 217 SER H . 26952 1 823 . 1 . 1 190 190 SER C C 13 173.819 0.000 . 1 . . . . . 217 SER C . 26952 1 824 . 1 . 1 190 190 SER CA C 13 56.442 0.014 . 1 . . . . . 217 SER CA . 26952 1 825 . 1 . 1 190 190 SER CB C 13 65.338 0.000 . 1 . . . . . 217 SER CB . 26952 1 826 . 1 . 1 190 190 SER N N 15 111.784 0.002 . 1 . . . . . 217 SER N . 26952 1 827 . 1 . 1 191 191 LEU H H 1 9.006 0.004 . 1 . . . . . 218 LEU H . 26952 1 828 . 1 . 1 191 191 LEU CA C 13 54.812 0.000 . 1 . . . . . 218 LEU CA . 26952 1 829 . 1 . 1 191 191 LEU N N 15 120.018 0.004 . 1 . . . . . 218 LEU N . 26952 1 830 . 1 . 1 192 192 GLY H H 1 8.203 0.000 . 1 . . . . . 219 GLY H . 26952 1 831 . 1 . 1 192 192 GLY C C 13 175.174 0.000 . 1 . . . . . 219 GLY C . 26952 1 832 . 1 . 1 192 192 GLY CA C 13 44.958 0.008 . 1 . . . . . 219 GLY CA . 26952 1 833 . 1 . 1 192 192 GLY N N 15 105.835 0.000 . 1 . . . . . 219 GLY N . 26952 1 834 . 1 . 1 194 194 LEU C C 13 179.054 0.000 . 1 . . . . . 221 LEU C . 26952 1 835 . 1 . 1 194 194 LEU CA C 13 53.649 0.001 . 1 . . . . . 221 LEU CA . 26952 1 836 . 1 . 1 194 194 LEU CB C 13 41.741 0.000 . 1 . . . . . 221 LEU CB . 26952 1 837 . 1 . 1 195 195 GLY H H 1 8.588 0.001 . 1 . . . . . 222 GLY H . 26952 1 838 . 1 . 1 195 195 GLY C C 13 174.422 0.000 . 1 . . . . . 222 GLY C . 26952 1 839 . 1 . 1 195 195 GLY CA C 13 47.691 0.000 . 1 . . . . . 222 GLY CA . 26952 1 840 . 1 . 1 195 195 GLY N N 15 109.756 0.004 . 1 . . . . . 222 GLY N . 26952 1 841 . 1 . 1 196 196 ASP H H 1 8.222 0.001 . 1 . . . . . 223 ASP H . 26952 1 842 . 1 . 1 196 196 ASP C C 13 174.928 0.005 . 1 . . . . . 223 ASP C . 26952 1 843 . 1 . 1 196 196 ASP CA C 13 52.967 0.001 . 1 . . . . . 223 ASP CA . 26952 1 844 . 1 . 1 196 196 ASP CB C 13 42.219 0.013 . 1 . . . . . 223 ASP CB . 26952 1 845 . 1 . 1 196 196 ASP N N 15 117.853 0.000 . 1 . . . . . 223 ASP N . 26952 1 846 . 1 . 1 197 197 ALA H H 1 7.230 0.002 . 1 . . . . . 224 ALA H . 26952 1 847 . 1 . 1 197 197 ALA C C 13 177.295 0.000 . 1 . . . . . 224 ALA C . 26952 1 848 . 1 . 1 197 197 ALA CA C 13 51.856 0.009 . 1 . . . . . 224 ALA CA . 26952 1 849 . 1 . 1 197 197 ALA CB C 13 21.202 0.024 . 1 . . . . . 224 ALA CB . 26952 1 850 . 1 . 1 197 197 ALA N N 15 121.537 0.040 . 1 . . . . . 224 ALA N . 26952 1 851 . 1 . 1 198 198 ASP H H 1 8.431 0.004 . 1 . . . . . 225 ASP H . 26952 1 852 . 1 . 1 198 198 ASP C C 13 176.564 0.000 . 1 . . . . . 225 ASP C . 26952 1 853 . 1 . 1 198 198 ASP CA C 13 51.708 0.001 . 1 . . . . . 225 ASP CA . 26952 1 854 . 1 . 1 198 198 ASP CB C 13 41.010 0.000 . 1 . . . . . 225 ASP CB . 26952 1 855 . 1 . 1 198 198 ASP N N 15 119.999 0.006 . 1 . . . . . 225 ASP N . 26952 1 856 . 1 . 1 199 199 THR H H 1 8.382 0.004 . 1 . . . . . 226 THR H . 26952 1 857 . 1 . 1 199 199 THR C C 13 175.809 0.000 . 1 . . . . . 226 THR C . 26952 1 858 . 1 . 1 199 199 THR CA C 13 64.707 0.091 . 1 . . . . . 226 THR CA . 26952 1 859 . 1 . 1 199 199 THR CB C 13 67.639 0.011 . 1 . . . . . 226 THR CB . 26952 1 860 . 1 . 1 199 199 THR N N 15 113.875 0.002 . 1 . . . . . 226 THR N . 26952 1 861 . 1 . 1 200 200 GLU H H 1 8.000 0.002 . 1 . . . . . 227 GLU H . 26952 1 862 . 1 . 1 200 200 GLU C C 13 178.091 0.000 . 1 . . . . . 227 GLU C . 26952 1 863 . 1 . 1 200 200 GLU CA C 13 58.003 0.017 . 1 . . . . . 227 GLU CA . 26952 1 864 . 1 . 1 200 200 GLU CB C 13 29.172 0.000 . 1 . . . . . 227 GLU CB . 26952 1 865 . 1 . 1 200 200 GLU N N 15 120.968 0.000 . 1 . . . . . 227 GLU N . 26952 1 866 . 1 . 1 201 201 HIS H H 1 7.642 0.002 . 1 . . . . . 228 HIS H . 26952 1 867 . 1 . 1 201 201 HIS C C 13 174.450 0.000 . 1 . . . . . 228 HIS C . 26952 1 868 . 1 . 1 201 201 HIS CA C 13 56.901 0.011 . 1 . . . . . 228 HIS CA . 26952 1 869 . 1 . 1 201 201 HIS N N 15 113.619 0.002 . 1 . . . . . 228 HIS N . 26952 1 870 . 1 . 1 202 202 TYR H H 1 7.384 0.001 . 1 . . . . . 229 TYR H . 26952 1 871 . 1 . 1 202 202 TYR C C 13 178.314 0.000 . 1 . . . . . 229 TYR C . 26952 1 872 . 1 . 1 202 202 TYR CA C 13 61.148 0.000 . 1 . . . . . 229 TYR CA . 26952 1 873 . 1 . 1 202 202 TYR N N 15 120.480 0.002 . 1 . . . . . 229 TYR N . 26952 1 874 . 1 . 1 203 203 ALA H H 1 8.986 0.001 . 1 . . . . . 230 ALA H . 26952 1 875 . 1 . 1 203 203 ALA C C 13 178.742 0.000 . 1 . . . . . 230 ALA C . 26952 1 876 . 1 . 1 203 203 ALA CA C 13 56.686 0.004 . 1 . . . . . 230 ALA CA . 26952 1 877 . 1 . 1 203 203 ALA CB C 13 18.363 0.020 . 1 . . . . . 230 ALA CB . 26952 1 878 . 1 . 1 203 203 ALA N N 15 121.157 0.008 . 1 . . . . . 230 ALA N . 26952 1 879 . 1 . 1 204 204 ALA H H 1 8.002 0.003 . 1 . . . . . 231 ALA H . 26952 1 880 . 1 . 1 204 204 ALA C C 13 181.414 0.000 . 1 . . . . . 231 ALA C . 26952 1 881 . 1 . 1 204 204 ALA CA C 13 54.599 0.010 . 1 . . . . . 231 ALA CA . 26952 1 882 . 1 . 1 204 204 ALA CB C 13 17.681 0.017 . 1 . . . . . 231 ALA CB . 26952 1 883 . 1 . 1 204 204 ALA N N 15 119.262 0.001 . 1 . . . . . 231 ALA N . 26952 1 884 . 1 . 1 205 205 SER H H 1 8.584 0.001 . 1 . . . . . 232 SER H . 26952 1 885 . 1 . 1 205 205 SER C C 13 176.352 0.000 . 1 . . . . . 232 SER C . 26952 1 886 . 1 . 1 205 205 SER CA C 13 60.370 0.003 . 1 . . . . . 232 SER CA . 26952 1 887 . 1 . 1 205 205 SER CB C 13 61.719 0.000 . 1 . . . . . 232 SER CB . 26952 1 888 . 1 . 1 205 205 SER N N 15 118.841 0.000 . 1 . . . . . 232 SER N . 26952 1 889 . 1 . 1 206 206 ALA H H 1 8.710 0.002 . 1 . . . . . 233 ALA H . 26952 1 890 . 1 . 1 206 206 ALA C C 13 179.084 0.000 . 1 . . . . . 233 ALA C . 26952 1 891 . 1 . 1 206 206 ALA CA C 13 55.644 0.003 . 1 . . . . . 233 ALA CA . 26952 1 892 . 1 . 1 206 206 ALA CB C 13 16.713 0.000 . 1 . . . . . 233 ALA CB . 26952 1 893 . 1 . 1 206 206 ALA N N 15 123.474 0.003 . 1 . . . . . 233 ALA N . 26952 1 894 . 1 . 1 207 207 ARG H H 1 8.136 0.002 . 1 . . . . . 234 ARG H . 26952 1 895 . 1 . 1 207 207 ARG C C 13 179.565 0.000 . 1 . . . . . 234 ARG C . 26952 1 896 . 1 . 1 207 207 ARG CA C 13 60.025 0.012 . 1 . . . . . 234 ARG CA . 26952 1 897 . 1 . 1 207 207 ARG CB C 13 29.317 0.000 . 1 . . . . . 234 ARG CB . 26952 1 898 . 1 . 1 207 207 ARG N N 15 114.606 0.002 . 1 . . . . . 234 ARG N . 26952 1 899 . 1 . 1 208 208 ALA H H 1 8.703 0.001 . 1 . . . . . 235 ALA H . 26952 1 900 . 1 . 1 208 208 ALA C C 13 180.399 0.000 . 1 . . . . . 235 ALA C . 26952 1 901 . 1 . 1 208 208 ALA CA C 13 54.854 0.000 . 1 . . . . . 235 ALA CA . 26952 1 902 . 1 . 1 208 208 ALA CB C 13 17.481 0.021 . 1 . . . . . 235 ALA CB . 26952 1 903 . 1 . 1 208 208 ALA N N 15 124.404 0.010 . 1 . . . . . 235 ALA N . 26952 1 904 . 1 . 1 209 209 PHE H H 1 8.011 0.004 . 1 . . . . . 236 PHE H . 26952 1 905 . 1 . 1 209 209 PHE C C 13 175.554 0.000 . 1 . . . . . 236 PHE C . 26952 1 906 . 1 . 1 209 209 PHE CA C 13 60.351 0.001 . 1 . . . . . 236 PHE CA . 26952 1 907 . 1 . 1 209 209 PHE N N 15 118.362 0.009 . 1 . . . . . 236 PHE N . 26952 1 908 . 1 . 1 210 210 GLY H H 1 7.604 0.001 . 1 . . . . . 237 GLY H . 26952 1 909 . 1 . 1 210 210 GLY C C 13 175.132 0.000 . 1 . . . . . 237 GLY C . 26952 1 910 . 1 . 1 210 210 GLY CA C 13 47.618 0.004 . 1 . . . . . 237 GLY CA . 26952 1 911 . 1 . 1 210 210 GLY N N 15 102.733 0.004 . 1 . . . . . 237 GLY N . 26952 1 912 . 1 . 1 211 211 ALA H H 1 7.658 0.003 . 1 . . . . . 238 ALA H . 26952 1 913 . 1 . 1 211 211 ALA C C 13 178.510 0.000 . 1 . . . . . 238 ALA C . 26952 1 914 . 1 . 1 211 211 ALA CA C 13 52.847 0.005 . 1 . . . . . 238 ALA CA . 26952 1 915 . 1 . 1 211 211 ALA CB C 13 18.033 0.001 . 1 . . . . . 238 ALA CB . 26952 1 916 . 1 . 1 211 211 ALA N N 15 120.412 0.001 . 1 . . . . . 238 ALA N . 26952 1 917 . 1 . 1 212 212 ALA H H 1 7.327 0.001 . 1 . . . . . 239 ALA H . 26952 1 918 . 1 . 1 212 212 ALA CA C 13 53.327 0.000 . 1 . . . . . 239 ALA CA . 26952 1 919 . 1 . 1 212 212 ALA CB C 13 16.366 0.000 . 1 . . . . . 239 ALA CB . 26952 1 920 . 1 . 1 212 212 ALA N N 15 121.663 0.001 . 1 . . . . . 239 ALA N . 26952 1 921 . 1 . 1 213 213 PHE H H 1 6.220 0.000 . 1 . . . . . 240 PHE H . 26952 1 922 . 1 . 1 213 213 PHE N N 15 111.905 0.000 . 1 . . . . . 240 PHE N . 26952 1 923 . 1 . 1 214 214 PRO C C 13 177.579 0.000 . 1 . . . . . 241 PRO C . 26952 1 924 . 1 . 1 214 214 PRO CA C 13 64.522 0.000 . 1 . . . . . 241 PRO CA . 26952 1 925 . 1 . 1 214 214 PRO CB C 13 32.080 0.000 . 1 . . . . . 241 PRO CB . 26952 1 926 . 1 . 1 215 215 LYS H H 1 8.553 0.002 . 1 . . . . . 242 LYS H . 26952 1 927 . 1 . 1 215 215 LYS C C 13 176.578 0.000 . 1 . . . . . 242 LYS C . 26952 1 928 . 1 . 1 215 215 LYS CA C 13 54.804 0.000 . 1 . . . . . 242 LYS CA . 26952 1 929 . 1 . 1 215 215 LYS CB C 13 32.048 0.000 . 1 . . . . . 242 LYS CB . 26952 1 930 . 1 . 1 215 215 LYS N N 15 116.601 0.001 . 1 . . . . . 242 LYS N . 26952 1 931 . 1 . 1 216 216 ALA H H 1 6.955 0.002 . 1 . . . . . 243 ALA H . 26952 1 932 . 1 . 1 216 216 ALA C C 13 176.371 0.000 . 1 . . . . . 243 ALA C . 26952 1 933 . 1 . 1 216 216 ALA CA C 13 53.144 0.008 . 1 . . . . . 243 ALA CA . 26952 1 934 . 1 . 1 216 216 ALA CB C 13 18.764 0.029 . 1 . . . . . 243 ALA CB . 26952 1 935 . 1 . 1 216 216 ALA N N 15 123.141 0.004 . 1 . . . . . 243 ALA N . 26952 1 936 . 1 . 1 217 217 SER H H 1 8.301 0.002 . 1 . . . . . 244 SER H . 26952 1 937 . 1 . 1 217 217 SER C C 13 173.687 0.000 . 1 . . . . . 244 SER C . 26952 1 938 . 1 . 1 217 217 SER CA C 13 57.237 0.000 . 1 . . . . . 244 SER CA . 26952 1 939 . 1 . 1 217 217 SER CB C 13 64.424 0.000 . 1 . . . . . 244 SER CB . 26952 1 940 . 1 . 1 217 217 SER N N 15 115.883 0.002 . 1 . . . . . 244 SER N . 26952 1 941 . 1 . 1 218 218 MET H H 1 8.373 0.002 . 1 . . . . . 245 MET H . 26952 1 942 . 1 . 1 218 218 MET C C 13 172.498 0.000 . 1 . . . . . 245 MET C . 26952 1 943 . 1 . 1 218 218 MET CA C 13 54.995 0.004 . 1 . . . . . 245 MET CA . 26952 1 944 . 1 . 1 218 218 MET CB C 13 34.036 0.000 . 1 . . . . . 245 MET CB . 26952 1 945 . 1 . 1 218 218 MET N N 15 125.483 0.001 . 1 . . . . . 245 MET N . 26952 1 946 . 1 . 1 219 219 ILE H H 1 9.204 0.003 . 1 . . . . . 246 ILE H . 26952 1 947 . 1 . 1 219 219 ILE C C 13 174.408 0.000 . 1 . . . . . 246 ILE C . 26952 1 948 . 1 . 1 219 219 ILE CA C 13 56.801 0.006 . 1 . . . . . 246 ILE CA . 26952 1 949 . 1 . 1 219 219 ILE N N 15 127.385 0.004 . 1 . . . . . 246 ILE N . 26952 1 950 . 1 . 1 220 220 VAL H H 1 8.745 0.002 . 1 . . . . . 247 VAL H . 26952 1 951 . 1 . 1 220 220 VAL C C 13 174.615 0.000 . 1 . . . . . 247 VAL C . 26952 1 952 . 1 . 1 220 220 VAL CA C 13 60.656 0.003 . 1 . . . . . 247 VAL CA . 26952 1 953 . 1 . 1 220 220 VAL N N 15 127.918 0.035 . 1 . . . . . 247 VAL N . 26952 1 954 . 1 . 1 221 221 MET H H 1 10.135 0.002 . 1 . . . . . 248 MET H . 26952 1 955 . 1 . 1 221 221 MET C C 13 175.034 0.000 . 1 . . . . . 248 MET C . 26952 1 956 . 1 . 1 221 221 MET CA C 13 54.052 0.019 . 1 . . . . . 248 MET CA . 26952 1 957 . 1 . 1 221 221 MET CB C 13 38.331 0.000 . 1 . . . . . 248 MET CB . 26952 1 958 . 1 . 1 221 221 MET N N 15 128.329 0.019 . 1 . . . . . 248 MET N . 26952 1 959 . 1 . 1 222 222 SER H H 1 7.304 0.002 . 1 . . . . . 249 SER H . 26952 1 960 . 1 . 1 222 222 SER C C 13 175.857 0.000 . 1 . . . . . 249 SER C . 26952 1 961 . 1 . 1 222 222 SER CA C 13 59.772 0.006 . 1 . . . . . 249 SER CA . 26952 1 962 . 1 . 1 222 222 SER CB C 13 62.497 0.000 . 1 . . . . . 249 SER CB . 26952 1 963 . 1 . 1 222 222 SER N N 15 112.319 0.005 . 1 . . . . . 249 SER N . 26952 1 964 . 1 . 1 223 223 HIS H H 1 8.208 0.002 . 1 . . . . . 250 HIS H . 26952 1 965 . 1 . 1 223 223 HIS C C 13 173.983 0.000 . 1 . . . . . 250 HIS C . 26952 1 966 . 1 . 1 223 223 HIS CA C 13 54.054 0.004 . 1 . . . . . 250 HIS CA . 26952 1 967 . 1 . 1 223 223 HIS CB C 13 28.563 0.000 . 1 . . . . . 250 HIS CB . 26952 1 968 . 1 . 1 223 223 HIS N N 15 112.436 0.001 . 1 . . . . . 250 HIS N . 26952 1 969 . 1 . 1 224 224 SER H H 1 7.110 0.002 . 1 . . . . . 251 SER H . 26952 1 970 . 1 . 1 224 224 SER C C 13 171.674 0.000 . 1 . . . . . 251 SER C . 26952 1 971 . 1 . 1 224 224 SER CA C 13 57.352 0.007 . 1 . . . . . 251 SER CA . 26952 1 972 . 1 . 1 224 224 SER CB C 13 67.432 0.006 . 1 . . . . . 251 SER CB . 26952 1 973 . 1 . 1 224 224 SER N N 15 113.318 0.002 . 1 . . . . . 251 SER N . 26952 1 974 . 1 . 1 225 225 ALA H H 1 8.395 0.002 . 1 . . . . . 252 ALA H . 26952 1 975 . 1 . 1 225 225 ALA CA C 13 51.302 0.018 . 1 . . . . . 252 ALA CA . 26952 1 976 . 1 . 1 225 225 ALA CB C 13 16.777 0.000 . 1 . . . . . 252 ALA CB . 26952 1 977 . 1 . 1 225 225 ALA N N 15 125.464 0.008 . 1 . . . . . 252 ALA N . 26952 1 978 . 1 . 1 226 226 PRO C C 13 175.901 0.004 . 1 . . . . . 253 PRO C . 26952 1 979 . 1 . 1 226 226 PRO CA C 13 63.753 0.008 . 1 . . . . . 253 PRO CA . 26952 1 980 . 1 . 1 226 226 PRO CB C 13 31.785 0.000 . 1 . . . . . 253 PRO CB . 26952 1 981 . 1 . 1 227 227 ASP H H 1 8.749 0.001 . 1 . . . . . 254 ASP H . 26952 1 982 . 1 . 1 227 227 ASP C C 13 174.979 0.000 . 1 . . . . . 254 ASP C . 26952 1 983 . 1 . 1 227 227 ASP CA C 13 50.956 0.002 . 1 . . . . . 254 ASP CA . 26952 1 984 . 1 . 1 227 227 ASP CB C 13 46.328 0.001 . 1 . . . . . 254 ASP CB . 26952 1 985 . 1 . 1 227 227 ASP N N 15 121.725 0.048 . 1 . . . . . 254 ASP N . 26952 1 986 . 1 . 1 228 228 SER H H 1 9.261 0.001 . 1 . . . . . 255 SER H . 26952 1 987 . 1 . 1 228 228 SER C C 13 175.105 0.000 . 1 . . . . . 255 SER C . 26952 1 988 . 1 . 1 228 228 SER CA C 13 56.654 0.006 . 1 . . . . . 255 SER CA . 26952 1 989 . 1 . 1 228 228 SER CB C 13 65.171 0.003 . 1 . . . . . 255 SER CB . 26952 1 990 . 1 . 1 228 228 SER N N 15 115.654 0.004 . 1 . . . . . 255 SER N . 26952 1 991 . 1 . 1 229 229 ARG H H 1 8.573 0.001 . 1 . . . . . 256 ARG H . 26952 1 992 . 1 . 1 229 229 ARG CA C 13 60.307 0.000 . 1 . . . . . 256 ARG CA . 26952 1 993 . 1 . 1 229 229 ARG N N 15 114.997 0.002 . 1 . . . . . 256 ARG N . 26952 1 994 . 1 . 1 230 230 ALA C C 13 179.375 0.000 . 1 . . . . . 257 ALA C . 26952 1 995 . 1 . 1 230 230 ALA CA C 13 55.527 0.000 . 1 . . . . . 257 ALA CA . 26952 1 996 . 1 . 1 231 231 ALA H H 1 8.030 0.002 . 1 . . . . . 258 ALA H . 26952 1 997 . 1 . 1 231 231 ALA C C 13 180.186 0.000 . 1 . . . . . 258 ALA C . 26952 1 998 . 1 . 1 231 231 ALA CA C 13 55.880 0.003 . 1 . . . . . 258 ALA CA . 26952 1 999 . 1 . 1 231 231 ALA CB C 13 19.481 0.000 . 1 . . . . . 258 ALA CB . 26952 1 1000 . 1 . 1 231 231 ALA N N 15 119.333 0.003 . 1 . . . . . 258 ALA N . 26952 1 1001 . 1 . 1 232 232 ILE H H 1 7.849 0.001 . 1 . . . . . 259 ILE H . 26952 1 1002 . 1 . 1 232 232 ILE C C 13 177.359 0.000 . 1 . . . . . 259 ILE C . 26952 1 1003 . 1 . 1 232 232 ILE CA C 13 65.722 0.008 . 1 . . . . . 259 ILE CA . 26952 1 1004 . 1 . 1 232 232 ILE CB C 13 37.786 0.000 . 1 . . . . . 259 ILE CB . 26952 1 1005 . 1 . 1 232 232 ILE N N 15 118.412 0.002 . 1 . . . . . 259 ILE N . 26952 1 1006 . 1 . 1 233 233 THR H H 1 7.239 0.003 . 1 . . . . . 260 THR H . 26952 1 1007 . 1 . 1 233 233 THR C C 13 176.844 0.000 . 1 . . . . . 260 THR C . 26952 1 1008 . 1 . 1 233 233 THR CA C 13 65.394 0.003 . 1 . . . . . 260 THR CA . 26952 1 1009 . 1 . 1 233 233 THR CB C 13 68.440 0.008 . 1 . . . . . 260 THR CB . 26952 1 1010 . 1 . 1 233 233 THR N N 15 112.968 0.008 . 1 . . . . . 260 THR N . 26952 1 1011 . 1 . 1 234 234 HIS H H 1 8.680 0.001 . 1 . . . . . 261 HIS H . 26952 1 1012 . 1 . 1 234 234 HIS C C 13 177.289 0.000 . 1 . . . . . 261 HIS C . 26952 1 1013 . 1 . 1 234 234 HIS CA C 13 59.591 0.016 . 1 . . . . . 261 HIS CA . 26952 1 1014 . 1 . 1 234 234 HIS CB C 13 31.721 0.000 . 1 . . . . . 261 HIS CB . 26952 1 1015 . 1 . 1 234 234 HIS N N 15 121.188 0.008 . 1 . . . . . 261 HIS N . 26952 1 1016 . 1 . 1 235 235 THR H H 1 8.115 0.001 . 1 . . . . . 262 THR H . 26952 1 1017 . 1 . 1 235 235 THR C C 13 175.674 0.000 . 1 . . . . . 262 THR C . 26952 1 1018 . 1 . 1 235 235 THR CA C 13 68.208 0.032 . 1 . . . . . 262 THR CA . 26952 1 1019 . 1 . 1 235 235 THR N N 15 115.372 0.019 . 1 . . . . . 262 THR N . 26952 1 1020 . 1 . 1 236 236 ALA H H 1 8.396 0.002 . 1 . . . . . 263 ALA H . 26952 1 1021 . 1 . 1 236 236 ALA C C 13 177.943 0.000 . 1 . . . . . 263 ALA C . 26952 1 1022 . 1 . 1 236 236 ALA CA C 13 55.844 0.020 . 1 . . . . . 263 ALA CA . 26952 1 1023 . 1 . 1 236 236 ALA CB C 13 17.799 0.028 . 1 . . . . . 263 ALA CB . 26952 1 1024 . 1 . 1 236 236 ALA N N 15 121.749 0.001 . 1 . . . . . 263 ALA N . 26952 1 1025 . 1 . 1 237 237 ARG H H 1 8.043 0.002 . 1 . . . . . 264 ARG H . 26952 1 1026 . 1 . 1 237 237 ARG C C 13 180.408 0.011 . 1 . . . . . 264 ARG C . 26952 1 1027 . 1 . 1 237 237 ARG CA C 13 59.224 0.009 . 1 . . . . . 264 ARG CA . 26952 1 1028 . 1 . 1 237 237 ARG CB C 13 29.467 0.000 . 1 . . . . . 264 ARG CB . 26952 1 1029 . 1 . 1 237 237 ARG N N 15 117.118 0.000 . 1 . . . . . 264 ARG N . 26952 1 1030 . 1 . 1 238 238 MET H H 1 8.125 0.002 . 1 . . . . . 265 MET H . 26952 1 1031 . 1 . 1 238 238 MET C C 13 179.538 0.000 . 1 . . . . . 265 MET C . 26952 1 1032 . 1 . 1 238 238 MET CA C 13 59.548 0.003 . 1 . . . . . 265 MET CA . 26952 1 1033 . 1 . 1 238 238 MET N N 15 119.248 0.051 . 1 . . . . . 265 MET N . 26952 1 1034 . 1 . 1 239 239 ALA H H 1 8.471 0.001 . 1 . . . . . 266 ALA H . 26952 1 1035 . 1 . 1 239 239 ALA C C 13 180.413 0.000 . 1 . . . . . 266 ALA C . 26952 1 1036 . 1 . 1 239 239 ALA CA C 13 54.071 0.024 . 1 . . . . . 266 ALA CA . 26952 1 1037 . 1 . 1 239 239 ALA CB C 13 16.265 0.007 . 1 . . . . . 266 ALA CB . 26952 1 1038 . 1 . 1 239 239 ALA N N 15 122.353 0.003 . 1 . . . . . 266 ALA N . 26952 1 1039 . 1 . 1 240 240 ASP H H 1 8.817 0.003 . 1 . . . . . 267 ASP H . 26952 1 1040 . 1 . 1 240 240 ASP C C 13 178.692 0.000 . 1 . . . . . 267 ASP C . 26952 1 1041 . 1 . 1 240 240 ASP CA C 13 57.200 0.040 . 1 . . . . . 267 ASP CA . 26952 1 1042 . 1 . 1 240 240 ASP CB C 13 39.940 0.000 . 1 . . . . . 267 ASP CB . 26952 1 1043 . 1 . 1 240 240 ASP N N 15 124.833 0.001 . 1 . . . . . 267 ASP N . 26952 1 1044 . 1 . 1 241 241 LYS H H 1 7.255 0.001 . 1 . . . . . 268 LYS H . 26952 1 1045 . 1 . 1 241 241 LYS C C 13 178.300 0.000 . 1 . . . . . 268 LYS C . 26952 1 1046 . 1 . 1 241 241 LYS CA C 13 58.469 0.005 . 1 . . . . . 268 LYS CA . 26952 1 1047 . 1 . 1 241 241 LYS CB C 13 31.556 0.000 . 1 . . . . . 268 LYS CB . 26952 1 1048 . 1 . 1 241 241 LYS N N 15 118.219 0.003 . 1 . . . . . 268 LYS N . 26952 1 1049 . 1 . 1 242 242 LEU H H 1 7.519 0.002 . 1 . . . . . 269 LEU H . 26952 1 1050 . 1 . 1 242 242 LEU C C 13 178.457 0.000 . 1 . . . . . 269 LEU C . 26952 1 1051 . 1 . 1 242 242 LEU CA C 13 56.586 0.001 . 1 . . . . . 269 LEU CA . 26952 1 1052 . 1 . 1 242 242 LEU CB C 13 42.106 0.000 . 1 . . . . . 269 LEU CB . 26952 1 1053 . 1 . 1 242 242 LEU N N 15 118.117 0.004 . 1 . . . . . 269 LEU N . 26952 1 1054 . 1 . 1 243 243 ARG H H 1 7.574 0.001 . 1 . . . . . 270 ARG H . 26952 1 1055 . 1 . 1 243 243 ARG C C 13 176.126 0.000 . 1 . . . . . 270 ARG C . 26952 1 1056 . 1 . 1 243 243 ARG CA C 13 57.937 0.000 . 1 . . . . . 270 ARG CA . 26952 1 1057 . 1 . 1 243 243 ARG N N 15 117.449 0.004 . 1 . . . . . 270 ARG N . 26952 1 stop_ save_