data_50903 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50903 _Entry.Title ; TCPTP residues 1-302 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-20 _Entry.Accession_date 2021-04-20 _Entry.Last_release_date 2021-04-20 _Entry.Original_release_date 2021-04-20 _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 Jai Singh . Prakash . . 50903 2 Yang Li . . . . 50903 3 Wolfgang Peti . . . . 50903 4 Tzu-Ching Meng . . . . 50903 5 Rebecca Page . . . . 50903 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50903 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 602 50903 '15N chemical shifts' 211 50903 '1H chemical shifts' 211 50903 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 . . 2023-03-24 2021-04-20 update BMRB 'update entry citation' 50903 1 . . 2021-11-10 2021-04-20 original author 'original release' 50903 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50904 'TCPTP residues 303-387' 50903 BMRB 50905 'TCPTP residues 303-387 RK variant' 50903 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50903 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35013194 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The catalytic activity of TCPTP is auto-regulated by its intrinsically disordered tail and activated by Integrin alpha-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 94 _Citation.Page_last 94 _Citation.Year 2022 _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 'Jai Prakash' Singh J. P. . . 50903 1 2 Yang Li Y. . . . 50903 1 3 Yi-Yun Chen Y. Y. . . 50903 1 4 'Shang-Te Danny' Hsu S. D. . . 50903 1 5 Rebecca Page R. . . . 50903 1 6 Wolfgang Peti W. . . . 50903 1 7 Tzu-Ching Meng T. C. . . 50903 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50903 _Assembly.ID 1 _Assembly.Name 'TCPTP residues 1-302' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TCPTP 1-302' 1 $entity_1 . . yes native no no . . . 50903 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP P17706-2 . . . . . . 50903 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50903 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMGSMPTTIEREFEELDTQ RRWQPLYLEIRNESHDYPHR VAKFPENRNRNRYRDVSPYD HSRVKLQNAENDYINASLVD IEEAQRSYILTQGPLPNTCC HFWLMVWQQKTKAVVMLNRI VEKESVKCAQYWPTDDQEML FKETGFSVKLLSEDVKSYYT VHLLQLENINSGETRTISHF HYTTWPDFGVPESPASFLNF LFKVRESGSLNPDHGPAVIH CSAGIGRSGTFSLVDTCLVL MEKGDDINIKQVLLNMRKYR MGLIQTPDQLRFSYMAIIEG AKCIKGDSSIQKRWKELSKE DLSPAFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'TCPTP sequence starts from MPTTI' _Entity.Polymer_author_seq_details 'The first five residues GHMGS are from cloning vector, TCPTP sequence starts from MPTTI.' _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 307 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50903 1 2 . HIS . 50903 1 3 . MET . 50903 1 4 . GLY . 50903 1 5 . SER . 50903 1 6 . MET . 50903 1 7 . PRO . 50903 1 8 . THR . 50903 1 9 . THR . 50903 1 10 . ILE . 50903 1 11 . GLU . 50903 1 12 . ARG . 50903 1 13 . GLU . 50903 1 14 . PHE . 50903 1 15 . GLU . 50903 1 16 . GLU . 50903 1 17 . LEU . 50903 1 18 . ASP . 50903 1 19 . THR . 50903 1 20 . GLN . 50903 1 21 . ARG . 50903 1 22 . ARG . 50903 1 23 . TRP . 50903 1 24 . GLN . 50903 1 25 . PRO . 50903 1 26 . LEU . 50903 1 27 . TYR . 50903 1 28 . LEU . 50903 1 29 . GLU . 50903 1 30 . ILE . 50903 1 31 . ARG . 50903 1 32 . ASN . 50903 1 33 . GLU . 50903 1 34 . SER . 50903 1 35 . HIS . 50903 1 36 . ASP . 50903 1 37 . TYR . 50903 1 38 . PRO . 50903 1 39 . HIS . 50903 1 40 . ARG . 50903 1 41 . VAL . 50903 1 42 . ALA . 50903 1 43 . LYS . 50903 1 44 . PHE . 50903 1 45 . PRO . 50903 1 46 . GLU . 50903 1 47 . ASN . 50903 1 48 . ARG . 50903 1 49 . ASN . 50903 1 50 . ARG . 50903 1 51 . ASN . 50903 1 52 . ARG . 50903 1 53 . TYR . 50903 1 54 . ARG . 50903 1 55 . ASP . 50903 1 56 . VAL . 50903 1 57 . SER . 50903 1 58 . PRO . 50903 1 59 . TYR . 50903 1 60 . ASP . 50903 1 61 . HIS . 50903 1 62 . SER . 50903 1 63 . ARG . 50903 1 64 . VAL . 50903 1 65 . LYS . 50903 1 66 . LEU . 50903 1 67 . GLN . 50903 1 68 . ASN . 50903 1 69 . ALA . 50903 1 70 . GLU . 50903 1 71 . ASN . 50903 1 72 . ASP . 50903 1 73 . TYR . 50903 1 74 . ILE . 50903 1 75 . ASN . 50903 1 76 . ALA . 50903 1 77 . SER . 50903 1 78 . LEU . 50903 1 79 . VAL . 50903 1 80 . ASP . 50903 1 81 . ILE . 50903 1 82 . GLU . 50903 1 83 . GLU . 50903 1 84 . ALA . 50903 1 85 . GLN . 50903 1 86 . ARG . 50903 1 87 . SER . 50903 1 88 . TYR . 50903 1 89 . ILE . 50903 1 90 . LEU . 50903 1 91 . THR . 50903 1 92 . GLN . 50903 1 93 . GLY . 50903 1 94 . PRO . 50903 1 95 . LEU . 50903 1 96 . PRO . 50903 1 97 . ASN . 50903 1 98 . THR . 50903 1 99 . CYS . 50903 1 100 . CYS . 50903 1 101 . HIS . 50903 1 102 . PHE . 50903 1 103 . TRP . 50903 1 104 . LEU . 50903 1 105 . MET . 50903 1 106 . VAL . 50903 1 107 . TRP . 50903 1 108 . GLN . 50903 1 109 . GLN . 50903 1 110 . LYS . 50903 1 111 . THR . 50903 1 112 . LYS . 50903 1 113 . ALA . 50903 1 114 . VAL . 50903 1 115 . VAL . 50903 1 116 . MET . 50903 1 117 . LEU . 50903 1 118 . ASN . 50903 1 119 . ARG . 50903 1 120 . ILE . 50903 1 121 . VAL . 50903 1 122 . GLU . 50903 1 123 . LYS . 50903 1 124 . GLU . 50903 1 125 . SER . 50903 1 126 . VAL . 50903 1 127 . LYS . 50903 1 128 . CYS . 50903 1 129 . ALA . 50903 1 130 . GLN . 50903 1 131 . TYR . 50903 1 132 . TRP . 50903 1 133 . PRO . 50903 1 134 . THR . 50903 1 135 . ASP . 50903 1 136 . ASP . 50903 1 137 . GLN . 50903 1 138 . GLU . 50903 1 139 . MET . 50903 1 140 . LEU . 50903 1 141 . PHE . 50903 1 142 . LYS . 50903 1 143 . GLU . 50903 1 144 . THR . 50903 1 145 . GLY . 50903 1 146 . PHE . 50903 1 147 . SER . 50903 1 148 . VAL . 50903 1 149 . LYS . 50903 1 150 . LEU . 50903 1 151 . LEU . 50903 1 152 . SER . 50903 1 153 . GLU . 50903 1 154 . ASP . 50903 1 155 . VAL . 50903 1 156 . LYS . 50903 1 157 . SER . 50903 1 158 . TYR . 50903 1 159 . TYR . 50903 1 160 . THR . 50903 1 161 . VAL . 50903 1 162 . HIS . 50903 1 163 . LEU . 50903 1 164 . LEU . 50903 1 165 . GLN . 50903 1 166 . LEU . 50903 1 167 . GLU . 50903 1 168 . ASN . 50903 1 169 . ILE . 50903 1 170 . ASN . 50903 1 171 . SER . 50903 1 172 . GLY . 50903 1 173 . GLU . 50903 1 174 . THR . 50903 1 175 . ARG . 50903 1 176 . THR . 50903 1 177 . ILE . 50903 1 178 . SER . 50903 1 179 . HIS . 50903 1 180 . PHE . 50903 1 181 . HIS . 50903 1 182 . TYR . 50903 1 183 . THR . 50903 1 184 . THR . 50903 1 185 . TRP . 50903 1 186 . PRO . 50903 1 187 . ASP . 50903 1 188 . PHE . 50903 1 189 . GLY . 50903 1 190 . VAL . 50903 1 191 . PRO . 50903 1 192 . GLU . 50903 1 193 . SER . 50903 1 194 . PRO . 50903 1 195 . ALA . 50903 1 196 . SER . 50903 1 197 . PHE . 50903 1 198 . LEU . 50903 1 199 . ASN . 50903 1 200 . PHE . 50903 1 201 . LEU . 50903 1 202 . PHE . 50903 1 203 . LYS . 50903 1 204 . VAL . 50903 1 205 . ARG . 50903 1 206 . GLU . 50903 1 207 . SER . 50903 1 208 . GLY . 50903 1 209 . SER . 50903 1 210 . LEU . 50903 1 211 . ASN . 50903 1 212 . PRO . 50903 1 213 . ASP . 50903 1 214 . HIS . 50903 1 215 . GLY . 50903 1 216 . PRO . 50903 1 217 . ALA . 50903 1 218 . VAL . 50903 1 219 . ILE . 50903 1 220 . HIS . 50903 1 221 . CYS . 50903 1 222 . SER . 50903 1 223 . ALA . 50903 1 224 . GLY . 50903 1 225 . ILE . 50903 1 226 . GLY . 50903 1 227 . ARG . 50903 1 228 . SER . 50903 1 229 . GLY . 50903 1 230 . THR . 50903 1 231 . PHE . 50903 1 232 . SER . 50903 1 233 . LEU . 50903 1 234 . VAL . 50903 1 235 . ASP . 50903 1 236 . THR . 50903 1 237 . CYS . 50903 1 238 . LEU . 50903 1 239 . VAL . 50903 1 240 . LEU . 50903 1 241 . MET . 50903 1 242 . GLU . 50903 1 243 . LYS . 50903 1 244 . GLY . 50903 1 245 . ASP . 50903 1 246 . ASP . 50903 1 247 . ILE . 50903 1 248 . ASN . 50903 1 249 . ILE . 50903 1 250 . LYS . 50903 1 251 . GLN . 50903 1 252 . VAL . 50903 1 253 . LEU . 50903 1 254 . LEU . 50903 1 255 . ASN . 50903 1 256 . MET . 50903 1 257 . ARG . 50903 1 258 . LYS . 50903 1 259 . TYR . 50903 1 260 . ARG . 50903 1 261 . MET . 50903 1 262 . GLY . 50903 1 263 . LEU . 50903 1 264 . ILE . 50903 1 265 . GLN . 50903 1 266 . THR . 50903 1 267 . PRO . 50903 1 268 . ASP . 50903 1 269 . GLN . 50903 1 270 . LEU . 50903 1 271 . ARG . 50903 1 272 . PHE . 50903 1 273 . SER . 50903 1 274 . TYR . 50903 1 275 . MET . 50903 1 276 . ALA . 50903 1 277 . ILE . 50903 1 278 . ILE . 50903 1 279 . GLU . 50903 1 280 . GLY . 50903 1 281 . ALA . 50903 1 282 . LYS . 50903 1 283 . CYS . 50903 1 284 . ILE . 50903 1 285 . LYS . 50903 1 286 . GLY . 50903 1 287 . ASP . 50903 1 288 . SER . 50903 1 289 . SER . 50903 1 290 . ILE . 50903 1 291 . GLN . 50903 1 292 . LYS . 50903 1 293 . ARG . 50903 1 294 . TRP . 50903 1 295 . LYS . 50903 1 296 . GLU . 50903 1 297 . LEU . 50903 1 298 . SER . 50903 1 299 . LYS . 50903 1 300 . GLU . 50903 1 301 . ASP . 50903 1 302 . LEU . 50903 1 303 . SER . 50903 1 304 . PRO . 50903 1 305 . ALA . 50903 1 306 . PHE . 50903 1 307 . ASP . 50903 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50903 1 . HIS 2 2 50903 1 . MET 3 3 50903 1 . GLY 4 4 50903 1 . SER 5 5 50903 1 . MET 6 6 50903 1 . PRO 7 7 50903 1 . THR 8 8 50903 1 . THR 9 9 50903 1 . ILE 10 10 50903 1 . GLU 11 11 50903 1 . ARG 12 12 50903 1 . GLU 13 13 50903 1 . PHE 14 14 50903 1 . GLU 15 15 50903 1 . GLU 16 16 50903 1 . LEU 17 17 50903 1 . ASP 18 18 50903 1 . THR 19 19 50903 1 . GLN 20 20 50903 1 . ARG 21 21 50903 1 . ARG 22 22 50903 1 . TRP 23 23 50903 1 . GLN 24 24 50903 1 . PRO 25 25 50903 1 . LEU 26 26 50903 1 . TYR 27 27 50903 1 . LEU 28 28 50903 1 . GLU 29 29 50903 1 . ILE 30 30 50903 1 . ARG 31 31 50903 1 . ASN 32 32 50903 1 . GLU 33 33 50903 1 . SER 34 34 50903 1 . HIS 35 35 50903 1 . ASP 36 36 50903 1 . TYR 37 37 50903 1 . PRO 38 38 50903 1 . HIS 39 39 50903 1 . ARG 40 40 50903 1 . VAL 41 41 50903 1 . ALA 42 42 50903 1 . LYS 43 43 50903 1 . PHE 44 44 50903 1 . PRO 45 45 50903 1 . GLU 46 46 50903 1 . ASN 47 47 50903 1 . ARG 48 48 50903 1 . ASN 49 49 50903 1 . ARG 50 50 50903 1 . ASN 51 51 50903 1 . ARG 52 52 50903 1 . TYR 53 53 50903 1 . ARG 54 54 50903 1 . ASP 55 55 50903 1 . VAL 56 56 50903 1 . SER 57 57 50903 1 . PRO 58 58 50903 1 . TYR 59 59 50903 1 . ASP 60 60 50903 1 . HIS 61 61 50903 1 . SER 62 62 50903 1 . ARG 63 63 50903 1 . VAL 64 64 50903 1 . LYS 65 65 50903 1 . LEU 66 66 50903 1 . GLN 67 67 50903 1 . ASN 68 68 50903 1 . ALA 69 69 50903 1 . GLU 70 70 50903 1 . ASN 71 71 50903 1 . ASP 72 72 50903 1 . TYR 73 73 50903 1 . ILE 74 74 50903 1 . ASN 75 75 50903 1 . ALA 76 76 50903 1 . SER 77 77 50903 1 . LEU 78 78 50903 1 . VAL 79 79 50903 1 . ASP 80 80 50903 1 . ILE 81 81 50903 1 . GLU 82 82 50903 1 . GLU 83 83 50903 1 . ALA 84 84 50903 1 . GLN 85 85 50903 1 . ARG 86 86 50903 1 . SER 87 87 50903 1 . TYR 88 88 50903 1 . ILE 89 89 50903 1 . LEU 90 90 50903 1 . THR 91 91 50903 1 . GLN 92 92 50903 1 . GLY 93 93 50903 1 . PRO 94 94 50903 1 . LEU 95 95 50903 1 . PRO 96 96 50903 1 . ASN 97 97 50903 1 . THR 98 98 50903 1 . CYS 99 99 50903 1 . CYS 100 100 50903 1 . HIS 101 101 50903 1 . PHE 102 102 50903 1 . TRP 103 103 50903 1 . LEU 104 104 50903 1 . MET 105 105 50903 1 . VAL 106 106 50903 1 . TRP 107 107 50903 1 . GLN 108 108 50903 1 . GLN 109 109 50903 1 . LYS 110 110 50903 1 . THR 111 111 50903 1 . LYS 112 112 50903 1 . ALA 113 113 50903 1 . VAL 114 114 50903 1 . VAL 115 115 50903 1 . MET 116 116 50903 1 . LEU 117 117 50903 1 . ASN 118 118 50903 1 . ARG 119 119 50903 1 . ILE 120 120 50903 1 . VAL 121 121 50903 1 . GLU 122 122 50903 1 . LYS 123 123 50903 1 . GLU 124 124 50903 1 . SER 125 125 50903 1 . VAL 126 126 50903 1 . LYS 127 127 50903 1 . CYS 128 128 50903 1 . ALA 129 129 50903 1 . GLN 130 130 50903 1 . TYR 131 131 50903 1 . TRP 132 132 50903 1 . PRO 133 133 50903 1 . THR 134 134 50903 1 . ASP 135 135 50903 1 . ASP 136 136 50903 1 . GLN 137 137 50903 1 . GLU 138 138 50903 1 . MET 139 139 50903 1 . LEU 140 140 50903 1 . PHE 141 141 50903 1 . LYS 142 142 50903 1 . GLU 143 143 50903 1 . THR 144 144 50903 1 . GLY 145 145 50903 1 . PHE 146 146 50903 1 . SER 147 147 50903 1 . VAL 148 148 50903 1 . LYS 149 149 50903 1 . LEU 150 150 50903 1 . LEU 151 151 50903 1 . SER 152 152 50903 1 . GLU 153 153 50903 1 . ASP 154 154 50903 1 . VAL 155 155 50903 1 . LYS 156 156 50903 1 . SER 157 157 50903 1 . TYR 158 158 50903 1 . TYR 159 159 50903 1 . THR 160 160 50903 1 . VAL 161 161 50903 1 . HIS 162 162 50903 1 . LEU 163 163 50903 1 . LEU 164 164 50903 1 . GLN 165 165 50903 1 . LEU 166 166 50903 1 . GLU 167 167 50903 1 . ASN 168 168 50903 1 . ILE 169 169 50903 1 . ASN 170 170 50903 1 . SER 171 171 50903 1 . GLY 172 172 50903 1 . GLU 173 173 50903 1 . THR 174 174 50903 1 . ARG 175 175 50903 1 . THR 176 176 50903 1 . ILE 177 177 50903 1 . SER 178 178 50903 1 . HIS 179 179 50903 1 . PHE 180 180 50903 1 . HIS 181 181 50903 1 . TYR 182 182 50903 1 . THR 183 183 50903 1 . THR 184 184 50903 1 . TRP 185 185 50903 1 . PRO 186 186 50903 1 . ASP 187 187 50903 1 . PHE 188 188 50903 1 . GLY 189 189 50903 1 . VAL 190 190 50903 1 . PRO 191 191 50903 1 . GLU 192 192 50903 1 . SER 193 193 50903 1 . PRO 194 194 50903 1 . ALA 195 195 50903 1 . SER 196 196 50903 1 . PHE 197 197 50903 1 . LEU 198 198 50903 1 . ASN 199 199 50903 1 . PHE 200 200 50903 1 . LEU 201 201 50903 1 . PHE 202 202 50903 1 . LYS 203 203 50903 1 . VAL 204 204 50903 1 . ARG 205 205 50903 1 . GLU 206 206 50903 1 . SER 207 207 50903 1 . GLY 208 208 50903 1 . SER 209 209 50903 1 . LEU 210 210 50903 1 . ASN 211 211 50903 1 . PRO 212 212 50903 1 . ASP 213 213 50903 1 . HIS 214 214 50903 1 . GLY 215 215 50903 1 . PRO 216 216 50903 1 . ALA 217 217 50903 1 . VAL 218 218 50903 1 . ILE 219 219 50903 1 . HIS 220 220 50903 1 . CYS 221 221 50903 1 . SER 222 222 50903 1 . ALA 223 223 50903 1 . GLY 224 224 50903 1 . ILE 225 225 50903 1 . GLY 226 226 50903 1 . ARG 227 227 50903 1 . SER 228 228 50903 1 . GLY 229 229 50903 1 . THR 230 230 50903 1 . PHE 231 231 50903 1 . SER 232 232 50903 1 . LEU 233 233 50903 1 . VAL 234 234 50903 1 . ASP 235 235 50903 1 . THR 236 236 50903 1 . CYS 237 237 50903 1 . LEU 238 238 50903 1 . VAL 239 239 50903 1 . LEU 240 240 50903 1 . MET 241 241 50903 1 . GLU 242 242 50903 1 . LYS 243 243 50903 1 . GLY 244 244 50903 1 . ASP 245 245 50903 1 . ASP 246 246 50903 1 . ILE 247 247 50903 1 . ASN 248 248 50903 1 . ILE 249 249 50903 1 . LYS 250 250 50903 1 . GLN 251 251 50903 1 . VAL 252 252 50903 1 . LEU 253 253 50903 1 . LEU 254 254 50903 1 . ASN 255 255 50903 1 . MET 256 256 50903 1 . ARG 257 257 50903 1 . LYS 258 258 50903 1 . TYR 259 259 50903 1 . ARG 260 260 50903 1 . MET 261 261 50903 1 . GLY 262 262 50903 1 . LEU 263 263 50903 1 . ILE 264 264 50903 1 . GLN 265 265 50903 1 . THR 266 266 50903 1 . PRO 267 267 50903 1 . ASP 268 268 50903 1 . GLN 269 269 50903 1 . LEU 270 270 50903 1 . ARG 271 271 50903 1 . PHE 272 272 50903 1 . SER 273 273 50903 1 . TYR 274 274 50903 1 . MET 275 275 50903 1 . ALA 276 276 50903 1 . ILE 277 277 50903 1 . ILE 278 278 50903 1 . GLU 279 279 50903 1 . GLY 280 280 50903 1 . ALA 281 281 50903 1 . LYS 282 282 50903 1 . CYS 283 283 50903 1 . ILE 284 284 50903 1 . LYS 285 285 50903 1 . GLY 286 286 50903 1 . ASP 287 287 50903 1 . SER 288 288 50903 1 . SER 289 289 50903 1 . ILE 290 290 50903 1 . GLN 291 291 50903 1 . LYS 292 292 50903 1 . ARG 293 293 50903 1 . TRP 294 294 50903 1 . LYS 295 295 50903 1 . GLU 296 296 50903 1 . LEU 297 297 50903 1 . SER 298 298 50903 1 . LYS 299 299 50903 1 . GLU 300 300 50903 1 . ASP 301 301 50903 1 . LEU 302 302 50903 1 . SER 303 303 50903 1 . PRO 304 304 50903 1 . ALA 305 305 50903 1 . PHE 306 306 50903 1 . ASP 307 307 50903 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50903 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50903 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50903 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pRP1B . . . 50903 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50903 _Sample.ID 1 _Sample.Name 'TCPTP catalytic domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TCPTP residues 1-302' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 450 . . uM . . . . 50903 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50903 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50903 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50903 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 50903 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'TCPTP catalytic domain' _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' 170 . mM 50903 1 pH 6.8 . pH 50903 1 pressure 1 . atm 50903 1 temperature 298 . K 50903 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50903 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50903 1 processing . 50903 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50903 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50903 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50903 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50903 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50903 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name bruker_800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50903 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50903 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50903 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50903 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50903 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50903 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50903 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50903 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50903 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50903 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50903 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50903 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50903 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TCPTP residues 1-302' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 50903 1 2 '3D HNCA' . . . 50903 1 3 '3D HNCACB' . . . 50903 1 4 '3D HN(CO)CA' . . . 50903 1 5 '3D CBCA(CO)NH' . . . 50903 1 6 '3D HNCO' . . . 50903 1 7 '3D HN(CA)CO' . . . 50903 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50903 1 2 $software_2 . . 50903 1 3 $software_3 . . 50903 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 MET H H 1 8.421 0.020 . 1 . . . . . 3 MET H . 50903 1 2 . 1 . 1 3 3 MET CA C 13 56.351 0.3 . 1 . . . . . 3 MET CA . 50903 1 3 . 1 . 1 3 3 MET CB C 13 32.66 0.3 . 1 . . . . . 3 MET CB . 50903 1 4 . 1 . 1 3 3 MET N N 15 122.903 0.2 . 1 . . . . . 3 MET N . 50903 1 5 . 1 . 1 4 4 GLY H H 1 8.302 0.020 . 1 . . . . . 4 GLY H . 50903 1 6 . 1 . 1 4 4 GLY C C 13 174.995 0.3 . 1 . . . . . 4 GLY C . 50903 1 7 . 1 . 1 4 4 GLY CA C 13 45.75 0.3 . 1 . . . . . 4 GLY CA . 50903 1 8 . 1 . 1 4 4 GLY N N 15 110.692 0.2 . 1 . . . . . 4 GLY N . 50903 1 9 . 1 . 1 5 5 SER H H 1 8.084 0.020 . 1 . . . . . 5 SER H . 50903 1 10 . 1 . 1 5 5 SER C C 13 175.125 0.3 . 1 . . . . . 5 SER C . 50903 1 11 . 1 . 1 5 5 SER CA C 13 58.894 0.3 . 1 . . . . . 5 SER CA . 50903 1 12 . 1 . 1 5 5 SER CB C 13 64.227 0.3 . 1 . . . . . 5 SER CB . 50903 1 13 . 1 . 1 5 5 SER N N 15 116.066 0.2 . 1 . . . . . 5 SER N . 50903 1 14 . 1 . 1 6 6 MET H H 1 8.271 0.020 . 1 . . . . . 6 MET H . 50903 1 15 . 1 . 1 6 6 MET C C 13 175.307 0.3 . 1 . . . . . 6 MET C . 50903 1 16 . 1 . 1 6 6 MET CA C 13 54.136 0.3 . 1 . . . . . 6 MET CA . 50903 1 17 . 1 . 1 6 6 MET CB C 13 32.621 0.3 . 1 . . . . . 6 MET CB . 50903 1 18 . 1 . 1 6 6 MET N N 15 123.148 0.2 . 1 . . . . . 6 MET N . 50903 1 19 . 1 . 1 8 8 THR H H 1 8.31 0.020 . 1 . . . . . 8 THR H . 50903 1 20 . 1 . 1 8 8 THR C C 13 176.605 0.3 . 1 . . . . . 8 THR C . 50903 1 21 . 1 . 1 8 8 THR CA C 13 62.244 0.3 . 1 . . . . . 8 THR CA . 50903 1 22 . 1 . 1 8 8 THR CB C 13 71.139 0.3 . 1 . . . . . 8 THR CB . 50903 1 23 . 1 . 1 8 8 THR N N 15 114.074 0.2 . 1 . . . . . 8 THR N . 50903 1 24 . 1 . 1 9 9 THR H H 1 8.506 0.020 . 1 . . . . . 9 THR H . 50903 1 25 . 1 . 1 9 9 THR C C 13 178.138 0.3 . 1 . . . . . 9 THR C . 50903 1 26 . 1 . 1 9 9 THR CA C 13 66.46 0.3 . 1 . . . . . 9 THR CA . 50903 1 27 . 1 . 1 9 9 THR CB C 13 69.189 0.3 . 1 . . . . . 9 THR CB . 50903 1 28 . 1 . 1 9 9 THR N N 15 116.493 0.2 . 1 . . . . . 9 THR N . 50903 1 29 . 1 . 1 10 10 ILE H H 1 7.964 0.020 . 1 . . . . . 10 ILE H . 50903 1 30 . 1 . 1 10 10 ILE C C 13 178.792 0.3 . 1 . . . . . 10 ILE C . 50903 1 31 . 1 . 1 10 10 ILE CA C 13 64.81 0.3 . 1 . . . . . 10 ILE CA . 50903 1 32 . 1 . 1 10 10 ILE CB C 13 37.393 0.3 . 1 . . . . . 10 ILE CB . 50903 1 33 . 1 . 1 10 10 ILE N N 15 120.403 0.2 . 1 . . . . . 10 ILE N . 50903 1 34 . 1 . 1 11 11 GLU H H 1 7.701 0.020 . 1 . . . . . 11 GLU H . 50903 1 35 . 1 . 1 11 11 GLU C C 13 180.735 0.3 . 1 . . . . . 11 GLU C . 50903 1 36 . 1 . 1 11 11 GLU CA C 13 60.663 0.3 . 1 . . . . . 11 GLU CA . 50903 1 37 . 1 . 1 11 11 GLU CB C 13 29.966 0.3 . 1 . . . . . 11 GLU CB . 50903 1 38 . 1 . 1 11 11 GLU N N 15 121.659 0.2 . 1 . . . . . 11 GLU N . 50903 1 39 . 1 . 1 12 12 ARG H H 1 8.139 0.020 . 1 . . . . . 12 ARG H . 50903 1 40 . 1 . 1 12 12 ARG C C 13 180.034 0.3 . 1 . . . . . 12 ARG C . 50903 1 41 . 1 . 1 12 12 ARG CA C 13 59.869 0.3 . 1 . . . . . 12 ARG CA . 50903 1 42 . 1 . 1 12 12 ARG CB C 13 29.904 0.3 . 1 . . . . . 12 ARG CB . 50903 1 43 . 1 . 1 12 12 ARG N N 15 120.624 0.2 . 1 . . . . . 12 ARG N . 50903 1 44 . 1 . 1 17 17 LEU H H 1 8.018 0.020 . 1 . . . . . 17 LEU H . 50903 1 45 . 1 . 1 17 17 LEU C C 13 180.54 0.3 . 1 . . . . . 17 LEU C . 50903 1 46 . 1 . 1 17 17 LEU CA C 13 58.683 0.3 . 1 . . . . . 17 LEU CA . 50903 1 47 . 1 . 1 17 17 LEU CB C 13 41.416 0.3 . 1 . . . . . 17 LEU CB . 50903 1 48 . 1 . 1 17 17 LEU N N 15 120.403 0.2 . 1 . . . . . 17 LEU N . 50903 1 49 . 1 . 1 18 18 ASP H H 1 8.175 0.020 . 1 . . . . . 18 ASP H . 50903 1 50 . 1 . 1 18 18 ASP C C 13 182.02 0.3 . 1 . . . . . 18 ASP C . 50903 1 51 . 1 . 1 18 18 ASP CA C 13 57.868 0.3 . 1 . . . . . 18 ASP CA . 50903 1 52 . 1 . 1 18 18 ASP CB C 13 41.375 0.3 . 1 . . . . . 18 ASP CB . 50903 1 53 . 1 . 1 18 18 ASP N N 15 117.622 0.2 . 1 . . . . . 18 ASP N . 50903 1 54 . 1 . 1 19 19 THR H H 1 8.476 0.020 . 1 . . . . . 19 THR H . 50903 1 55 . 1 . 1 19 19 THR C C 13 177.657 0.3 . 1 . . . . . 19 THR C . 50903 1 56 . 1 . 1 19 19 THR CA C 13 66.798 0.3 . 1 . . . . . 19 THR CA . 50903 1 57 . 1 . 1 19 19 THR CB C 13 69.499 0.3 . 1 . . . . . 19 THR CB . 50903 1 58 . 1 . 1 19 19 THR N N 15 116.026 0.2 . 1 . . . . . 19 THR N . 50903 1 59 . 1 . 1 20 20 GLN H H 1 7.793 0.020 . 1 . . . . . 20 GLN H . 50903 1 60 . 1 . 1 20 20 GLN C C 13 175.54 0.3 . 1 . . . . . 20 GLN C . 50903 1 61 . 1 . 1 20 20 GLN CA C 13 55.992 0.3 . 1 . . . . . 20 GLN CA . 50903 1 62 . 1 . 1 20 20 GLN CB C 13 28.171 0.3 . 1 . . . . . 20 GLN CB . 50903 1 63 . 1 . 1 20 20 GLN N N 15 117.043 0.2 . 1 . . . . . 20 GLN N . 50903 1 64 . 1 . 1 21 21 ARG H H 1 7.481 0.020 . 1 . . . . . 21 ARG H . 50903 1 65 . 1 . 1 21 21 ARG C C 13 178.566 0.3 . 1 . . . . . 21 ARG C . 50903 1 66 . 1 . 1 21 21 ARG CA C 13 57.465 0.3 . 1 . . . . . 21 ARG CA . 50903 1 67 . 1 . 1 21 21 ARG CB C 13 26.456 0.3 . 1 . . . . . 21 ARG CB . 50903 1 68 . 1 . 1 21 21 ARG N N 15 118.078 0.2 . 1 . . . . . 21 ARG N . 50903 1 69 . 1 . 1 22 22 ARG H H 1 8.383 0.020 . 1 . . . . . 22 ARG H . 50903 1 70 . 1 . 1 22 22 ARG C C 13 176.8 0.3 . 1 . . . . . 22 ARG C . 50903 1 71 . 1 . 1 22 22 ARG CA C 13 56.145 0.3 . 1 . . . . . 22 ARG CA . 50903 1 72 . 1 . 1 22 22 ARG CB C 13 32.008 0.3 . 1 . . . . . 22 ARG CB . 50903 1 73 . 1 . 1 22 22 ARG N N 15 117.29 0.2 . 1 . . . . . 22 ARG N . 50903 1 74 . 1 . 1 23 23 TRP H H 1 6.985 0.020 . 1 . . . . . 23 TRP H . 50903 1 75 . 1 . 1 23 23 TRP C C 13 178.761 0.3 . 1 . . . . . 23 TRP C . 50903 1 76 . 1 . 1 23 23 TRP CA C 13 61.282 0.3 . 1 . . . . . 23 TRP CA . 50903 1 77 . 1 . 1 23 23 TRP CB C 13 29.223 0.3 . 1 . . . . . 23 TRP CB . 50903 1 78 . 1 . 1 23 23 TRP N N 15 120.767 0.2 . 1 . . . . . 23 TRP N . 50903 1 79 . 1 . 1 24 24 GLN H H 1 8.797 0.020 . 1 . . . . . 24 GLN H . 50903 1 80 . 1 . 1 24 24 GLN C C 13 176.813 0.3 . 1 . . . . . 24 GLN C . 50903 1 81 . 1 . 1 24 24 GLN CA C 13 61.808 0.3 . 1 . . . . . 24 GLN CA . 50903 1 82 . 1 . 1 24 24 GLN CB C 13 25.404 0.3 . 1 . . . . . 24 GLN CB . 50903 1 83 . 1 . 1 24 24 GLN N N 15 116.581 0.2 . 1 . . . . . 24 GLN N . 50903 1 84 . 1 . 1 27 27 TYR H H 1 7.582 0.020 . 1 . . . . . 27 TYR H . 50903 1 85 . 1 . 1 27 27 TYR C C 13 175.112 0.3 . 1 . . . . . 27 TYR C . 50903 1 86 . 1 . 1 27 27 TYR CA C 13 60.732 0.3 . 1 . . . . . 27 TYR CA . 50903 1 87 . 1 . 1 27 27 TYR CB C 13 40.882 0.3 . 1 . . . . . 27 TYR CB . 50903 1 88 . 1 . 1 27 27 TYR N N 15 118.082 0.2 . 1 . . . . . 27 TYR N . 50903 1 89 . 1 . 1 28 28 LEU H H 1 8.28 0.020 . 1 . . . . . 28 LEU H . 50903 1 90 . 1 . 1 28 28 LEU C C 13 175.592 0.3 . 1 . . . . . 28 LEU C . 50903 1 91 . 1 . 1 28 28 LEU CA C 13 52.102 0.3 . 1 . . . . . 28 LEU CA . 50903 1 92 . 1 . 1 28 28 LEU CB C 13 39.526 0.3 . 1 . . . . . 28 LEU CB . 50903 1 93 . 1 . 1 28 28 LEU N N 15 123.809 0.2 . 1 . . . . . 28 LEU N . 50903 1 94 . 1 . 1 30 30 ILE H H 1 7.754 0.020 . 1 . . . . . 30 ILE H . 50903 1 95 . 1 . 1 30 30 ILE C C 13 179.826 0.3 . 1 . . . . . 30 ILE C . 50903 1 96 . 1 . 1 30 30 ILE CA C 13 65.972 0.3 . 1 . . . . . 30 ILE CA . 50903 1 97 . 1 . 1 30 30 ILE CB C 13 37.368 0.3 . 1 . . . . . 30 ILE CB . 50903 1 98 . 1 . 1 30 30 ILE N N 15 118.466 0.2 . 1 . . . . . 30 ILE N . 50903 1 99 . 1 . 1 32 32 ASN H H 1 8.369 0.020 . 1 . . . . . 32 ASN H . 50903 1 100 . 1 . 1 32 32 ASN C C 13 177.917 0.3 . 1 . . . . . 32 ASN C . 50903 1 101 . 1 . 1 32 32 ASN CA C 13 56.084 0.3 . 1 . . . . . 32 ASN CA . 50903 1 102 . 1 . 1 32 32 ASN CB C 13 38.507 0.3 . 1 . . . . . 32 ASN CB . 50903 1 103 . 1 . 1 32 32 ASN N N 15 117.837 0.2 . 1 . . . . . 32 ASN N . 50903 1 104 . 1 . 1 33 33 GLU H H 1 7.727 0.020 . 1 . . . . . 33 GLU H . 50903 1 105 . 1 . 1 33 33 GLU C C 13 177.138 0.3 . 1 . . . . . 33 GLU C . 50903 1 106 . 1 . 1 33 33 GLU CA C 13 56.972 0.3 . 1 . . . . . 33 GLU CA . 50903 1 107 . 1 . 1 33 33 GLU CB C 13 30.772 0.3 . 1 . . . . . 33 GLU CB . 50903 1 108 . 1 . 1 33 33 GLU N N 15 118.071 0.2 . 1 . . . . . 33 GLU N . 50903 1 109 . 1 . 1 34 34 SER H H 1 7.105 0.020 . 1 . . . . . 34 SER H . 50903 1 110 . 1 . 1 34 34 SER C C 13 174.32 0.3 . 1 . . . . . 34 SER C . 50903 1 111 . 1 . 1 34 34 SER CA C 13 59.797 0.3 . 1 . . . . . 34 SER CA . 50903 1 112 . 1 . 1 34 34 SER CB C 13 64.289 0.3 . 1 . . . . . 34 SER CB . 50903 1 113 . 1 . 1 34 34 SER N N 15 117.476 0.2 . 1 . . . . . 34 SER N . 50903 1 114 . 1 . 1 35 35 HIS H H 1 8.232 0.020 . 1 . . . . . 35 HIS H . 50903 1 115 . 1 . 1 35 35 HIS C C 13 174.586 0.3 . 1 . . . . . 35 HIS C . 50903 1 116 . 1 . 1 35 35 HIS CA C 13 56.109 0.3 . 1 . . . . . 35 HIS CA . 50903 1 117 . 1 . 1 35 35 HIS CB C 13 31.327 0.3 . 1 . . . . . 35 HIS CB . 50903 1 118 . 1 . 1 35 35 HIS N N 15 124.348 0.2 . 1 . . . . . 35 HIS N . 50903 1 119 . 1 . 1 36 36 ASP H H 1 8.115 0.020 . 1 . . . . . 36 ASP H . 50903 1 120 . 1 . 1 36 36 ASP C C 13 175.735 0.3 . 1 . . . . . 36 ASP C . 50903 1 121 . 1 . 1 36 36 ASP CA C 13 54.041 0.3 . 1 . . . . . 36 ASP CA . 50903 1 122 . 1 . 1 36 36 ASP CB C 13 42.963 0.3 . 1 . . . . . 36 ASP CB . 50903 1 123 . 1 . 1 36 36 ASP N N 15 121.65 0.2 . 1 . . . . . 36 ASP N . 50903 1 124 . 1 . 1 37 37 TYR H H 1 6.784 0.020 . 1 . . . . . 37 TYR H . 50903 1 125 . 1 . 1 37 37 TYR C C 13 173.956 0.3 . 1 . . . . . 37 TYR C . 50903 1 126 . 1 . 1 37 37 TYR CA C 13 56.702 0.3 . 1 . . . . . 37 TYR CA . 50903 1 127 . 1 . 1 37 37 TYR CB C 13 39.249 0.3 . 1 . . . . . 37 TYR CB . 50903 1 128 . 1 . 1 37 37 TYR N N 15 119.515 0.2 . 1 . . . . . 37 TYR N . 50903 1 129 . 1 . 1 39 39 HIS H H 1 9.322 0.020 . 1 . . . . . 39 HIS H . 50903 1 130 . 1 . 1 39 39 HIS C C 13 174.826 0.3 . 1 . . . . . 39 HIS C . 50903 1 131 . 1 . 1 39 39 HIS CA C 13 54.289 0.3 . 1 . . . . . 39 HIS CA . 50903 1 132 . 1 . 1 39 39 HIS CB C 13 28.79 0.3 . 1 . . . . . 39 HIS CB . 50903 1 133 . 1 . 1 39 39 HIS N N 15 128.327 0.2 . 1 . . . . . 39 HIS N . 50903 1 134 . 1 . 1 40 40 ARG H H 1 9.817 0.020 . 1 . . . . . 40 ARG H . 50903 1 135 . 1 . 1 40 40 ARG C C 13 181.319 0.3 . 1 . . . . . 40 ARG C . 50903 1 136 . 1 . 1 40 40 ARG CA C 13 59.673 0.3 . 1 . . . . . 40 ARG CA . 50903 1 137 . 1 . 1 40 40 ARG CB C 13 30.77 0.3 . 1 . . . . . 40 ARG CB . 50903 1 138 . 1 . 1 40 40 ARG N N 15 122.071 0.2 . 1 . . . . . 40 ARG N . 50903 1 139 . 1 . 1 41 41 VAL H H 1 8.753 0.020 . 1 . . . . . 41 VAL H . 50903 1 140 . 1 . 1 41 41 VAL C C 13 180.319 0.3 . 1 . . . . . 41 VAL C . 50903 1 141 . 1 . 1 41 41 VAL CA C 13 65.602 0.3 . 1 . . . . . 41 VAL CA . 50903 1 142 . 1 . 1 41 41 VAL CB C 13 30.71 0.3 . 1 . . . . . 41 VAL CB . 50903 1 143 . 1 . 1 41 41 VAL N N 15 122.339 0.2 . 1 . . . . . 41 VAL N . 50903 1 144 . 1 . 1 42 42 ALA H H 1 8.185 0.020 . 1 . . . . . 42 ALA H . 50903 1 145 . 1 . 1 42 42 ALA C C 13 178.683 0.3 . 1 . . . . . 42 ALA C . 50903 1 146 . 1 . 1 42 42 ALA CA C 13 54.924 0.3 . 1 . . . . . 42 ALA CA . 50903 1 147 . 1 . 1 42 42 ALA CB C 13 21 0.3 . 1 . . . . . 42 ALA CB . 50903 1 148 . 1 . 1 42 42 ALA N N 15 120.427 0.2 . 1 . . . . . 42 ALA N . 50903 1 149 . 1 . 1 43 43 LYS H H 1 6.667 0.020 . 1 . . . . . 43 LYS H . 50903 1 150 . 1 . 1 43 43 LYS C C 13 178.345 0.3 . 1 . . . . . 43 LYS C . 50903 1 151 . 1 . 1 43 43 LYS CA C 13 54.876 0.3 . 1 . . . . . 43 LYS CA . 50903 1 152 . 1 . 1 43 43 LYS CB C 13 32.498 0.3 . 1 . . . . . 43 LYS CB . 50903 1 153 . 1 . 1 43 43 LYS N N 15 110.962 0.2 . 1 . . . . . 43 LYS N . 50903 1 154 . 1 . 1 46 46 GLU H H 1 8.762 0.020 . 1 . . . . . 46 GLU H . 50903 1 155 . 1 . 1 46 46 GLU C C 13 176.099 0.3 . 1 . . . . . 46 GLU C . 50903 1 156 . 1 . 1 46 46 GLU CA C 13 56.664 0.3 . 1 . . . . . 46 GLU CA . 50903 1 157 . 1 . 1 46 46 GLU CB C 13 31.943 0.3 . 1 . . . . . 46 GLU CB . 50903 1 158 . 1 . 1 46 46 GLU N N 15 120.963 0.2 . 1 . . . . . 46 GLU N . 50903 1 159 . 1 . 1 48 48 ARG H H 1 7.765 0.020 . 1 . . . . . 48 ARG H . 50903 1 160 . 1 . 1 48 48 ARG C C 13 177.436 0.3 . 1 . . . . . 48 ARG C . 50903 1 161 . 1 . 1 48 48 ARG CA C 13 56.826 0.3 . 1 . . . . . 48 ARG CA . 50903 1 162 . 1 . 1 48 48 ARG CB C 13 31.328 0.3 . 1 . . . . . 48 ARG CB . 50903 1 163 . 1 . 1 48 48 ARG N N 15 114.717 0.2 . 1 . . . . . 48 ARG N . 50903 1 164 . 1 . 1 49 49 ASN H H 1 7.364 0.020 . 1 . . . . . 49 ASN H . 50903 1 165 . 1 . 1 49 49 ASN C C 13 173.982 0.3 . 1 . . . . . 49 ASN C . 50903 1 166 . 1 . 1 49 49 ASN CA C 13 53.026 0.3 . 1 . . . . . 49 ASN CA . 50903 1 167 . 1 . 1 49 49 ASN CB C 13 41.498 0.3 . 1 . . . . . 49 ASN CB . 50903 1 168 . 1 . 1 49 49 ASN N N 15 120.093 0.2 . 1 . . . . . 49 ASN N . 50903 1 169 . 1 . 1 50 50 ARG H H 1 9.113 0.020 . 1 . . . . . 50 ARG H . 50903 1 170 . 1 . 1 50 50 ARG C C 13 175.917 0.3 . 1 . . . . . 50 ARG C . 50903 1 171 . 1 . 1 50 50 ARG CA C 13 59.673 0.3 . 1 . . . . . 50 ARG CA . 50903 1 172 . 1 . 1 50 50 ARG CB C 13 31.204 0.3 . 1 . . . . . 50 ARG CB . 50903 1 173 . 1 . 1 50 50 ARG N N 15 126.231 0.2 . 1 . . . . . 50 ARG N . 50903 1 174 . 1 . 1 51 51 ASN H H 1 9.316 0.020 . 1 . . . . . 51 ASN H . 50903 1 175 . 1 . 1 51 51 ASN C C 13 178.034 0.3 . 1 . . . . . 51 ASN C . 50903 1 176 . 1 . 1 51 51 ASN CA C 13 56.764 0.3 . 1 . . . . . 51 ASN CA . 50903 1 177 . 1 . 1 51 51 ASN CB C 13 40.425 0.3 . 1 . . . . . 51 ASN CB . 50903 1 178 . 1 . 1 51 51 ASN N N 15 117.3 0.2 . 1 . . . . . 51 ASN N . 50903 1 179 . 1 . 1 54 54 ARG H H 1 8.327 0.020 . 1 . . . . . 54 ARG H . 50903 1 180 . 1 . 1 54 54 ARG C C 13 177.177 0.3 . 1 . . . . . 54 ARG C . 50903 1 181 . 1 . 1 54 54 ARG CA C 13 59.068 0.3 . 1 . . . . . 54 ARG CA . 50903 1 182 . 1 . 1 54 54 ARG CB C 13 30.155 0.3 . 1 . . . . . 54 ARG CB . 50903 1 183 . 1 . 1 54 54 ARG N N 15 121.141 0.2 . 1 . . . . . 54 ARG N . 50903 1 184 . 1 . 1 55 55 ASP H H 1 8.52 0.020 . 1 . . . . . 55 ASP H . 50903 1 185 . 1 . 1 55 55 ASP C C 13 176.423 0.3 . 1 . . . . . 55 ASP C . 50903 1 186 . 1 . 1 55 55 ASP CA C 13 53.932 0.3 . 1 . . . . . 55 ASP CA . 50903 1 187 . 1 . 1 55 55 ASP CB C 13 40.598 0.3 . 1 . . . . . 55 ASP CB . 50903 1 188 . 1 . 1 55 55 ASP N N 15 113.253 0.2 . 1 . . . . . 55 ASP N . 50903 1 189 . 1 . 1 56 56 VAL H H 1 6.854 0.020 . 1 . . . . . 56 VAL H . 50903 1 190 . 1 . 1 56 56 VAL C C 13 176.242 0.3 . 1 . . . . . 56 VAL C . 50903 1 191 . 1 . 1 56 56 VAL CA C 13 63.325 0.3 . 1 . . . . . 56 VAL CA . 50903 1 192 . 1 . 1 56 56 VAL CB C 13 32.937 0.3 . 1 . . . . . 56 VAL CB . 50903 1 193 . 1 . 1 56 56 VAL N N 15 119.214 0.2 . 1 . . . . . 56 VAL N . 50903 1 194 . 1 . 1 57 57 SER H H 1 7.727 0.020 . 1 . . . . . 57 SER H . 50903 1 195 . 1 . 1 57 57 SER C C 13 171.684 0.3 . 1 . . . . . 57 SER C . 50903 1 196 . 1 . 1 57 57 SER CA C 13 56.517 0.3 . 1 . . . . . 57 SER CA . 50903 1 197 . 1 . 1 57 57 SER CB C 13 65.294 0.3 . 1 . . . . . 57 SER CB . 50903 1 198 . 1 . 1 57 57 SER N N 15 123.982 0.2 . 1 . . . . . 57 SER N . 50903 1 199 . 1 . 1 59 59 TYR H H 1 7.428 0.020 . 1 . . . . . 59 TYR H . 50903 1 200 . 1 . 1 59 59 TYR C C 13 178.67 0.3 . 1 . . . . . 59 TYR C . 50903 1 201 . 1 . 1 59 59 TYR CA C 13 56.294 0.3 . 1 . . . . . 59 TYR CA . 50903 1 202 . 1 . 1 59 59 TYR CB C 13 38.478 0.3 . 1 . . . . . 59 TYR CB . 50903 1 203 . 1 . 1 59 59 TYR N N 15 123.479 0.2 . 1 . . . . . 59 TYR N . 50903 1 204 . 1 . 1 60 60 ASP H H 1 9.192 0.020 . 1 . . . . . 60 ASP H . 50903 1 205 . 1 . 1 60 60 ASP C C 13 180.469 0.3 . 1 . . . . . 60 ASP C . 50903 1 206 . 1 . 1 60 60 ASP CA C 13 59.43 0.3 . 1 . . . . . 60 ASP CA . 50903 1 207 . 1 . 1 60 60 ASP CB C 13 40.954 0.3 . 1 . . . . . 60 ASP CB . 50903 1 208 . 1 . 1 60 60 ASP N N 15 125.116 0.2 . 1 . . . . . 60 ASP N . 50903 1 209 . 1 . 1 61 61 HIS H H 1 8.817 0.020 . 1 . . . . . 61 HIS H . 50903 1 210 . 1 . 1 61 61 HIS C C 13 176.748 0.3 . 1 . . . . . 61 HIS C . 50903 1 211 . 1 . 1 61 61 HIS CA C 13 59.587 0.3 . 1 . . . . . 61 HIS CA . 50903 1 212 . 1 . 1 61 61 HIS CB C 13 30.491 0.3 . 1 . . . . . 61 HIS CB . 50903 1 213 . 1 . 1 61 61 HIS N N 15 114.974 0.2 . 1 . . . . . 61 HIS N . 50903 1 214 . 1 . 1 62 62 SER H H 1 6.27 0.020 . 1 . . . . . 62 SER H . 50903 1 215 . 1 . 1 62 62 SER C C 13 174.894 0.3 . 1 . . . . . 62 SER C . 50903 1 216 . 1 . 1 62 62 SER CA C 13 56.499 0.3 . 1 . . . . . 62 SER CA . 50903 1 217 . 1 . 1 62 62 SER CB C 13 64.529 0.3 . 1 . . . . . 62 SER CB . 50903 1 218 . 1 . 1 62 62 SER N N 15 109.122 0.2 . 1 . . . . . 62 SER N . 50903 1 219 . 1 . 1 63 63 ARG H H 1 7.241 0.020 . 1 . . . . . 63 ARG H . 50903 1 220 . 1 . 1 63 63 ARG C C 13 175.852 0.3 . 1 . . . . . 63 ARG C . 50903 1 221 . 1 . 1 63 63 ARG CA C 13 55.985 0.3 . 1 . . . . . 63 ARG CA . 50903 1 222 . 1 . 1 63 63 ARG CB C 13 28.737 0.3 . 1 . . . . . 63 ARG CB . 50903 1 223 . 1 . 1 63 63 ARG N N 15 123.179 0.2 . 1 . . . . . 63 ARG N . 50903 1 224 . 1 . 1 64 64 VAL H H 1 7.168 0.020 . 1 . . . . . 64 VAL H . 50903 1 225 . 1 . 1 64 64 VAL C C 13 176.385 0.3 . 1 . . . . . 64 VAL C . 50903 1 226 . 1 . 1 64 64 VAL CA C 13 62.458 0.3 . 1 . . . . . 64 VAL CA . 50903 1 227 . 1 . 1 64 64 VAL CB C 13 32.128 0.3 . 1 . . . . . 64 VAL CB . 50903 1 228 . 1 . 1 64 64 VAL N N 15 123.198 0.2 . 1 . . . . . 64 VAL N . 50903 1 229 . 1 . 1 65 65 LYS H H 1 8.561 0.020 . 1 . . . . . 65 LYS H . 50903 1 230 . 1 . 1 65 65 LYS C C 13 178.605 0.3 . 1 . . . . . 65 LYS C . 50903 1 231 . 1 . 1 65 65 LYS CA C 13 56.145 0.3 . 1 . . . . . 65 LYS CA . 50903 1 232 . 1 . 1 65 65 LYS CB C 13 33.308 0.3 . 1 . . . . . 65 LYS CB . 50903 1 233 . 1 . 1 65 65 LYS N N 15 127.893 0.2 . 1 . . . . . 65 LYS N . 50903 1 234 . 1 . 1 66 66 LEU H H 1 9.161 0.020 . 1 . . . . . 66 LEU H . 50903 1 235 . 1 . 1 66 66 LEU C C 13 177.229 0.3 . 1 . . . . . 66 LEU C . 50903 1 236 . 1 . 1 66 66 LEU CA C 13 54.568 0.3 . 1 . . . . . 66 LEU CA . 50903 1 237 . 1 . 1 66 66 LEU CB C 13 41.044 0.3 . 1 . . . . . 66 LEU CB . 50903 1 238 . 1 . 1 66 66 LEU N N 15 124.984 0.2 . 1 . . . . . 66 LEU N . 50903 1 239 . 1 . 1 67 67 GLN H H 1 9.029 0.020 . 1 . . . . . 67 GLN H . 50903 1 240 . 1 . 1 67 67 GLN C C 13 177.904 0.3 . 1 . . . . . 67 GLN C . 50903 1 241 . 1 . 1 67 67 GLN CA C 13 56.165 0.3 . 1 . . . . . 67 GLN CA . 50903 1 242 . 1 . 1 67 67 GLN CB C 13 28.381 0.3 . 1 . . . . . 67 GLN CB . 50903 1 243 . 1 . 1 67 67 GLN N N 15 124.969 0.2 . 1 . . . . . 67 GLN N . 50903 1 244 . 1 . 1 68 68 ASN H H 1 8.932 0.020 . 1 . . . . . 68 ASN H . 50903 1 245 . 1 . 1 68 68 ASN C C 13 174.242 0.3 . 1 . . . . . 68 ASN C . 50903 1 246 . 1 . 1 68 68 ASN CA C 13 55.836 0.3 . 1 . . . . . 68 ASN CA . 50903 1 247 . 1 . 1 68 68 ASN CB C 13 37.764 0.3 . 1 . . . . . 68 ASN CB . 50903 1 248 . 1 . 1 68 68 ASN N N 15 117.555 0.2 . 1 . . . . . 68 ASN N . 50903 1 249 . 1 . 1 69 69 ALA H H 1 7.581 0.020 . 1 . . . . . 69 ALA H . 50903 1 250 . 1 . 1 69 69 ALA C C 13 178.151 0.3 . 1 . . . . . 69 ALA C . 50903 1 251 . 1 . 1 69 69 ALA CA C 13 51.38 0.3 . 1 . . . . . 69 ALA CA . 50903 1 252 . 1 . 1 69 69 ALA CB C 13 21.92 0.3 . 1 . . . . . 69 ALA CB . 50903 1 253 . 1 . 1 69 69 ALA N N 15 120.76 0.2 . 1 . . . . . 69 ALA N . 50903 1 254 . 1 . 1 70 70 GLU H H 1 8.561 0.020 . 1 . . . . . 70 GLU H . 50903 1 255 . 1 . 1 70 70 GLU C C 13 177.32 0.3 . 1 . . . . . 70 GLU C . 50903 1 256 . 1 . 1 70 70 GLU CA C 13 59.808 0.3 . 1 . . . . . 70 GLU CA . 50903 1 257 . 1 . 1 70 70 GLU CB C 13 29.415 0.3 . 1 . . . . . 70 GLU CB . 50903 1 258 . 1 . 1 70 70 GLU N N 15 122.4 0.2 . 1 . . . . . 70 GLU N . 50903 1 259 . 1 . 1 71 71 ASN H H 1 8.291 0.020 . 1 . . . . . 71 ASN H . 50903 1 260 . 1 . 1 71 71 ASN CA C 13 59.886 0.3 . 1 . . . . . 71 ASN CA . 50903 1 261 . 1 . 1 71 71 ASN CB C 13 39.606 0.3 . 1 . . . . . 71 ASN CB . 50903 1 262 . 1 . 1 71 71 ASN N N 15 118.814 0.2 . 1 . . . . . 71 ASN N . 50903 1 263 . 1 . 1 73 73 TYR H H 1 8 0.020 . 1 . . . . . 73 TYR H . 50903 1 264 . 1 . 1 73 73 TYR C C 13 175.885 0.3 . 1 . . . . . 73 TYR C . 50903 1 265 . 1 . 1 73 73 TYR CA C 13 61.344 0.3 . 1 . . . . . 73 TYR CA . 50903 1 266 . 1 . 1 73 73 TYR CB C 13 39.435 0.3 . 1 . . . . . 73 TYR CB . 50903 1 267 . 1 . 1 73 73 TYR N N 15 118.794 0.2 . 1 . . . . . 73 TYR N . 50903 1 268 . 1 . 1 75 75 ASN H H 1 8.149 0.020 . 1 . . . . . 75 ASN H . 50903 1 269 . 1 . 1 75 75 ASN CA C 13 52.989 0.3 . 1 . . . . . 75 ASN CA . 50903 1 270 . 1 . 1 75 75 ASN CB C 13 36.217 0.3 . 1 . . . . . 75 ASN CB . 50903 1 271 . 1 . 1 75 75 ASN N N 15 125.604 0.2 . 1 . . . . . 75 ASN N . 50903 1 272 . 1 . 1 76 76 ALA H H 1 7.676 0.020 . 1 . . . . . 76 ALA H . 50903 1 273 . 1 . 1 76 76 ALA C C 13 176.294 0.3 . 1 . . . . . 76 ALA C . 50903 1 274 . 1 . 1 76 76 ALA CA C 13 52.494 0.3 . 1 . . . . . 76 ALA CA . 50903 1 275 . 1 . 1 76 76 ALA CB C 13 22.849 0.3 . 1 . . . . . 76 ALA CB . 50903 1 276 . 1 . 1 76 76 ALA N N 15 128.785 0.2 . 1 . . . . . 76 ALA N . 50903 1 277 . 1 . 1 77 77 SER H H 1 8.863 0.020 . 1 . . . . . 77 SER H . 50903 1 278 . 1 . 1 77 77 SER C C 13 171.878 0.3 . 1 . . . . . 77 SER C . 50903 1 279 . 1 . 1 77 77 SER CA C 13 58.064 0.3 . 1 . . . . . 77 SER CA . 50903 1 280 . 1 . 1 77 77 SER CB C 13 66.914 0.3 . 1 . . . . . 77 SER CB . 50903 1 281 . 1 . 1 77 77 SER N N 15 117.419 0.2 . 1 . . . . . 77 SER N . 50903 1 282 . 1 . 1 78 78 LEU H H 1 8.798 0.020 . 1 . . . . . 78 LEU H . 50903 1 283 . 1 . 1 78 78 LEU C C 13 176.06 0.3 . 1 . . . . . 78 LEU C . 50903 1 284 . 1 . 1 78 78 LEU CA C 13 55.155 0.3 . 1 . . . . . 78 LEU CA . 50903 1 285 . 1 . 1 78 78 LEU CB C 13 41.849 0.3 . 1 . . . . . 78 LEU CB . 50903 1 286 . 1 . 1 78 78 LEU N N 15 128.952 0.2 . 1 . . . . . 78 LEU N . 50903 1 287 . 1 . 1 79 79 VAL H H 1 9.279 0.020 . 1 . . . . . 79 VAL H . 50903 1 288 . 1 . 1 79 79 VAL C C 13 172.347 0.3 . 1 . . . . . 79 VAL C . 50903 1 289 . 1 . 1 79 79 VAL CA C 13 62.243 0.3 . 1 . . . . . 79 VAL CA . 50903 1 290 . 1 . 1 79 79 VAL CB C 13 32.35 0.3 . 1 . . . . . 79 VAL CB . 50903 1 291 . 1 . 1 79 79 VAL N N 15 129.268 0.2 . 1 . . . . . 79 VAL N . 50903 1 292 . 1 . 1 82 82 GLU H H 1 8.686 0.020 . 1 . . . . . 82 GLU H . 50903 1 293 . 1 . 1 82 82 GLU C C 13 181.553 0.3 . 1 . . . . . 82 GLU C . 50903 1 294 . 1 . 1 82 82 GLU CA C 13 60.725 0.3 . 1 . . . . . 82 GLU CA . 50903 1 295 . 1 . 1 82 82 GLU CB C 13 29.656 0.3 . 1 . . . . . 82 GLU CB . 50903 1 296 . 1 . 1 82 82 GLU N N 15 130.105 0.2 . 1 . . . . . 82 GLU N . 50903 1 297 . 1 . 1 83 83 GLU H H 1 9.794 0.020 . 1 . . . . . 83 GLU H . 50903 1 298 . 1 . 1 83 83 GLU C C 13 177.397 0.3 . 1 . . . . . 83 GLU C . 50903 1 299 . 1 . 1 83 83 GLU CA C 13 59.921 0.3 . 1 . . . . . 83 GLU CA . 50903 1 300 . 1 . 1 83 83 GLU CB C 13 29.223 0.3 . 1 . . . . . 83 GLU CB . 50903 1 301 . 1 . 1 83 83 GLU N N 15 119.211 0.2 . 1 . . . . . 83 GLU N . 50903 1 302 . 1 . 1 84 84 ALA H H 1 7.037 0.020 . 1 . . . . . 84 ALA H . 50903 1 303 . 1 . 1 84 84 ALA C C 13 175.618 0.3 . 1 . . . . . 84 ALA C . 50903 1 304 . 1 . 1 84 84 ALA CA C 13 51.194 0.3 . 1 . . . . . 84 ALA CA . 50903 1 305 . 1 . 1 84 84 ALA CB C 13 20.249 0.3 . 1 . . . . . 84 ALA CB . 50903 1 306 . 1 . 1 84 84 ALA N N 15 117.982 0.2 . 1 . . . . . 84 ALA N . 50903 1 307 . 1 . 1 85 85 GLN H H 1 7.768 0.020 . 1 . . . . . 85 GLN H . 50903 1 308 . 1 . 1 85 85 GLN C C 13 175.579 0.3 . 1 . . . . . 85 GLN C . 50903 1 309 . 1 . 1 85 85 GLN CA C 13 57.321 0.3 . 1 . . . . . 85 GLN CA . 50903 1 310 . 1 . 1 85 85 GLN CB C 13 27.367 0.3 . 1 . . . . . 85 GLN CB . 50903 1 311 . 1 . 1 85 85 GLN N N 15 115.218 0.2 . 1 . . . . . 85 GLN N . 50903 1 312 . 1 . 1 86 86 ARG H H 1 6.874 0.020 . 1 . . . . . 86 ARG H . 50903 1 313 . 1 . 1 86 86 ARG C C 13 176.021 0.3 . 1 . . . . . 86 ARG C . 50903 1 314 . 1 . 1 86 86 ARG CA C 13 53.113 0.3 . 1 . . . . . 86 ARG CA . 50903 1 315 . 1 . 1 86 86 ARG CB C 13 36.65 0.3 . 1 . . . . . 86 ARG CB . 50903 1 316 . 1 . 1 86 86 ARG N N 15 115.693 0.2 . 1 . . . . . 86 ARG N . 50903 1 317 . 1 . 1 87 87 SER H H 1 7.714 0.020 . 1 . . . . . 87 SER H . 50903 1 318 . 1 . 1 87 87 SER C C 13 172.099 0.3 . 1 . . . . . 87 SER C . 50903 1 319 . 1 . 1 87 87 SER CA C 13 57.527 0.3 . 1 . . . . . 87 SER CA . 50903 1 320 . 1 . 1 87 87 SER CB C 13 65.787 0.3 . 1 . . . . . 87 SER CB . 50903 1 321 . 1 . 1 87 87 SER N N 15 117.156 0.2 . 1 . . . . . 87 SER N . 50903 1 322 . 1 . 1 89 89 ILE H H 1 8.575 0.020 . 1 . . . . . 89 ILE H . 50903 1 323 . 1 . 1 89 89 ILE CA C 13 62.12 0.3 . 1 . . . . . 89 ILE CA . 50903 1 324 . 1 . 1 89 89 ILE CB C 13 41.549 0.3 . 1 . . . . . 89 ILE CB . 50903 1 325 . 1 . 1 89 89 ILE N N 15 119.123 0.2 . 1 . . . . . 89 ILE N . 50903 1 326 . 1 . 1 92 92 GLN H H 1 6.331 0.020 . 1 . . . . . 92 GLN H . 50903 1 327 . 1 . 1 92 92 GLN C C 13 176.073 0.3 . 1 . . . . . 92 GLN C . 50903 1 328 . 1 . 1 92 92 GLN CA C 13 53.142 0.3 . 1 . . . . . 92 GLN CA . 50903 1 329 . 1 . 1 92 92 GLN CB C 13 28.728 0.3 . 1 . . . . . 92 GLN CB . 50903 1 330 . 1 . 1 92 92 GLN N N 15 116.648 0.2 . 1 . . . . . 92 GLN N . 50903 1 331 . 1 . 1 93 93 GLY H H 1 8.875 0.020 . 1 . . . . . 93 GLY H . 50903 1 332 . 1 . 1 93 93 GLY C C 13 173.865 0.3 . 1 . . . . . 93 GLY C . 50903 1 333 . 1 . 1 93 93 GLY CA C 13 45.684 0.3 . 1 . . . . . 93 GLY CA . 50903 1 334 . 1 . 1 93 93 GLY N N 15 113.128 0.2 . 1 . . . . . 93 GLY N . 50903 1 335 . 1 . 1 95 95 LEU H H 1 7.646 0.020 . 1 . . . . . 95 LEU H . 50903 1 336 . 1 . 1 95 95 LEU C C 13 180.021 0.3 . 1 . . . . . 95 LEU C . 50903 1 337 . 1 . 1 95 95 LEU CA C 13 57.445 0.3 . 1 . . . . . 95 LEU CA . 50903 1 338 . 1 . 1 95 95 LEU CB C 13 40.24 0.3 . 1 . . . . . 95 LEU CB . 50903 1 339 . 1 . 1 95 95 LEU N N 15 115.144 0.2 . 1 . . . . . 95 LEU N . 50903 1 340 . 1 . 1 97 97 ASN H H 1 8.645 0.020 . 1 . . . . . 97 ASN H . 50903 1 341 . 1 . 1 97 97 ASN C C 13 175.46 0.3 . 1 . . . . . 97 ASN C . 50903 1 342 . 1 . 1 97 97 ASN CA C 13 55.14 0.3 . 1 . . . . . 97 ASN CA . 50903 1 343 . 1 . 1 97 97 ASN CB C 13 37.348 0.3 . 1 . . . . . 97 ASN CB . 50903 1 344 . 1 . 1 97 97 ASN N N 15 108.02 0.2 . 1 . . . . . 97 ASN N . 50903 1 345 . 1 . 1 98 98 THR H H 1 7.757 0.020 . 1 . . . . . 98 THR H . 50903 1 346 . 1 . 1 98 98 THR C C 13 177.345 0.3 . 1 . . . . . 98 THR C . 50903 1 347 . 1 . 1 98 98 THR CA C 13 61.379 0.3 . 1 . . . . . 98 THR CA . 50903 1 348 . 1 . 1 98 98 THR CB C 13 70.336 0.3 . 1 . . . . . 98 THR CB . 50903 1 349 . 1 . 1 98 98 THR N N 15 107.667 0.2 . 1 . . . . . 98 THR N . 50903 1 350 . 1 . 1 99 99 CYS H H 1 7.165 0.020 . 1 . . . . . 99 CYS H . 50903 1 351 . 1 . 1 99 99 CYS C C 13 176.618 0.3 . 1 . . . . . 99 CYS C . 50903 1 352 . 1 . 1 99 99 CYS CA C 13 64.554 0.3 . 1 . . . . . 99 CYS CA . 50903 1 353 . 1 . 1 99 99 CYS CB C 13 32.19 0.3 . 1 . . . . . 99 CYS CB . 50903 1 354 . 1 . 1 99 99 CYS N N 15 123.838 0.2 . 1 . . . . . 99 CYS N . 50903 1 355 . 1 . 1 101 101 HIS H H 1 10.02 0.020 . 1 . . . . . 101 HIS H . 50903 1 356 . 1 . 1 101 101 HIS C C 13 177.021 0.3 . 1 . . . . . 101 HIS C . 50903 1 357 . 1 . 1 101 101 HIS CA C 13 58.621 0.3 . 1 . . . . . 101 HIS CA . 50903 1 358 . 1 . 1 101 101 HIS CB C 13 28.047 0.3 . 1 . . . . . 101 HIS CB . 50903 1 359 . 1 . 1 101 101 HIS N N 15 117.398 0.2 . 1 . . . . . 101 HIS N . 50903 1 360 . 1 . 1 102 102 PHE H H 1 7.764 0.020 . 1 . . . . . 102 PHE H . 50903 1 361 . 1 . 1 102 102 PHE C C 13 178.099 0.3 . 1 . . . . . 102 PHE C . 50903 1 362 . 1 . 1 102 102 PHE CA C 13 53.396 0.3 . 1 . . . . . 102 PHE CA . 50903 1 363 . 1 . 1 102 102 PHE CB C 13 39.772 0.3 . 1 . . . . . 102 PHE CB . 50903 1 364 . 1 . 1 102 102 PHE N N 15 117.057 0.2 . 1 . . . . . 102 PHE N . 50903 1 365 . 1 . 1 103 103 TRP H H 1 7.352 0.020 . 1 . . . . . 103 TRP H . 50903 1 366 . 1 . 1 103 103 TRP C C 13 180.293 0.3 . 1 . . . . . 103 TRP C . 50903 1 367 . 1 . 1 103 103 TRP CA C 13 60.856 0.3 . 1 . . . . . 103 TRP CA . 50903 1 368 . 1 . 1 103 103 TRP CB C 13 29.97 0.3 . 1 . . . . . 103 TRP CB . 50903 1 369 . 1 . 1 103 103 TRP N N 15 123.708 0.2 . 1 . . . . . 103 TRP N . 50903 1 370 . 1 . 1 104 104 LEU H H 1 8.291 0.020 . 1 . . . . . 104 LEU H . 50903 1 371 . 1 . 1 104 104 LEU CA C 13 53.436 0.3 . 1 . . . . . 104 LEU CA . 50903 1 372 . 1 . 1 104 104 LEU CB C 13 37.125 0.3 . 1 . . . . . 104 LEU CB . 50903 1 373 . 1 . 1 104 104 LEU N N 15 113.958 0.2 . 1 . . . . . 104 LEU N . 50903 1 374 . 1 . 1 106 106 VAL H H 1 8.861 0.020 . 1 . . . . . 106 VAL H . 50903 1 375 . 1 . 1 106 106 VAL C C 13 177.735 0.3 . 1 . . . . . 106 VAL C . 50903 1 376 . 1 . 1 106 106 VAL CA C 13 67.1 0.3 . 1 . . . . . 106 VAL CA . 50903 1 377 . 1 . 1 106 106 VAL CB C 13 37.393 0.3 . 1 . . . . . 106 VAL CB . 50903 1 378 . 1 . 1 106 106 VAL N N 15 126.499 0.2 . 1 . . . . . 106 VAL N . 50903 1 379 . 1 . 1 107 107 TRP H H 1 8.093 0.020 . 1 . . . . . 107 TRP H . 50903 1 380 . 1 . 1 107 107 TRP C C 13 178.436 0.3 . 1 . . . . . 107 TRP C . 50903 1 381 . 1 . 1 107 107 TRP CA C 13 61.158 0.3 . 1 . . . . . 107 TRP CA . 50903 1 382 . 1 . 1 107 107 TRP CB C 13 32.07 0.3 . 1 . . . . . 107 TRP CB . 50903 1 383 . 1 . 1 107 107 TRP N N 15 118.734 0.2 . 1 . . . . . 107 TRP N . 50903 1 384 . 1 . 1 108 108 GLN H H 1 7.42 0.020 . 1 . . . . . 108 GLN H . 50903 1 385 . 1 . 1 108 108 GLN C C 13 180.06 0.3 . 1 . . . . . 108 GLN C . 50903 1 386 . 1 . 1 108 108 GLN CA C 13 58.883 0.3 . 1 . . . . . 108 GLN CA . 50903 1 387 . 1 . 1 108 108 GLN CB C 13 28.676 0.3 . 1 . . . . . 108 GLN CB . 50903 1 388 . 1 . 1 108 108 GLN N N 15 116.705 0.2 . 1 . . . . . 108 GLN N . 50903 1 389 . 1 . 1 110 110 LYS H H 1 7.356 0.020 . 1 . . . . . 110 LYS H . 50903 1 390 . 1 . 1 110 110 LYS C C 13 176.142 0.3 . 1 . . . . . 110 LYS C . 50903 1 391 . 1 . 1 110 110 LYS CA C 13 58.476 0.3 . 1 . . . . . 110 LYS CA . 50903 1 392 . 1 . 1 110 110 LYS CB C 13 28.206 0.3 . 1 . . . . . 110 LYS CB . 50903 1 393 . 1 . 1 110 110 LYS N N 15 112.111 0.2 . 1 . . . . . 110 LYS N . 50903 1 394 . 1 . 1 111 111 THR H H 1 7.229 0.020 . 1 . . . . . 111 THR H . 50903 1 395 . 1 . 1 111 111 THR C C 13 174.74 0.3 . 1 . . . . . 111 THR C . 50903 1 396 . 1 . 1 111 111 THR CA C 13 66.281 0.3 . 1 . . . . . 111 THR CA . 50903 1 397 . 1 . 1 111 111 THR CB C 13 71.274 0.3 . 1 . . . . . 111 THR CB . 50903 1 398 . 1 . 1 111 111 THR N N 15 119.909 0.2 . 1 . . . . . 111 THR N . 50903 1 399 . 1 . 1 112 112 LYS H H 1 8.647 0.020 . 1 . . . . . 112 LYS H . 50903 1 400 . 1 . 1 112 112 LYS C C 13 175.605 0.3 . 1 . . . . . 112 LYS C . 50903 1 401 . 1 . 1 112 112 LYS CA C 13 55.873 0.3 . 1 . . . . . 112 LYS CA . 50903 1 402 . 1 . 1 112 112 LYS CB C 13 34.671 0.3 . 1 . . . . . 112 LYS CB . 50903 1 403 . 1 . 1 112 112 LYS N N 15 124.501 0.2 . 1 . . . . . 112 LYS N . 50903 1 404 . 1 . 1 113 113 ALA H H 1 7.219 0.020 . 1 . . . . . 113 ALA H . 50903 1 405 . 1 . 1 113 113 ALA C C 13 176.54 0.3 . 1 . . . . . 113 ALA C . 50903 1 406 . 1 . 1 113 113 ALA CA C 13 50.822 0.3 . 1 . . . . . 113 ALA CA . 50903 1 407 . 1 . 1 113 113 ALA CB C 13 22.449 0.3 . 1 . . . . . 113 ALA CB . 50903 1 408 . 1 . 1 113 113 ALA N N 15 119.738 0.2 . 1 . . . . . 113 ALA N . 50903 1 409 . 1 . 1 117 117 LEU H H 1 7.294 0.020 . 1 . . . . . 117 LEU H . 50903 1 410 . 1 . 1 117 117 LEU C C 13 176.852 0.3 . 1 . . . . . 117 LEU C . 50903 1 411 . 1 . 1 117 117 LEU CA C 13 52.246 0.3 . 1 . . . . . 117 LEU CA . 50903 1 412 . 1 . 1 117 117 LEU CB C 13 38.692 0.3 . 1 . . . . . 117 LEU CB . 50903 1 413 . 1 . 1 117 117 LEU N N 15 114.241 0.2 . 1 . . . . . 117 LEU N . 50903 1 414 . 1 . 1 118 118 ASN H H 1 8.467 0.020 . 1 . . . . . 118 ASN H . 50903 1 415 . 1 . 1 118 118 ASN C C 13 179.332 0.3 . 1 . . . . . 118 ASN C . 50903 1 416 . 1 . 1 118 118 ASN CA C 13 54.074 0.3 . 1 . . . . . 118 ASN CA . 50903 1 417 . 1 . 1 118 118 ASN CB C 13 41.992 0.3 . 1 . . . . . 118 ASN CB . 50903 1 418 . 1 . 1 118 118 ASN N N 15 125.535 0.2 . 1 . . . . . 118 ASN N . 50903 1 419 . 1 . 1 119 119 ARG H H 1 7.769 0.020 . 1 . . . . . 119 ARG H . 50903 1 420 . 1 . 1 119 119 ARG C C 13 177.345 0.3 . 1 . . . . . 119 ARG C . 50903 1 421 . 1 . 1 119 119 ARG CA C 13 58.397 0.3 . 1 . . . . . 119 ARG CA . 50903 1 422 . 1 . 1 119 119 ARG CB C 13 30.365 0.3 . 1 . . . . . 119 ARG CB . 50903 1 423 . 1 . 1 119 119 ARG N N 15 123.227 0.2 . 1 . . . . . 119 ARG N . 50903 1 424 . 1 . 1 120 120 ILE H H 1 8.154 0.020 . 1 . . . . . 120 ILE H . 50903 1 425 . 1 . 1 120 120 ILE CA C 13 62.149 0.3 . 1 . . . . . 120 ILE CA . 50903 1 426 . 1 . 1 120 120 ILE CB C 13 40.302 0.3 . 1 . . . . . 120 ILE CB . 50903 1 427 . 1 . 1 120 120 ILE N N 15 126.686 0.2 . 1 . . . . . 120 ILE N . 50903 1 428 . 1 . 1 122 122 GLU H H 1 8.549 0.020 . 1 . . . . . 122 GLU H . 50903 1 429 . 1 . 1 122 122 GLU C C 13 177.852 0.3 . 1 . . . . . 122 GLU C . 50903 1 430 . 1 . 1 122 122 GLU CA C 13 59.7 0.3 . 1 . . . . . 122 GLU CA . 50903 1 431 . 1 . 1 122 122 GLU CB C 13 26.396 0.3 . 1 . . . . . 122 GLU CB . 50903 1 432 . 1 . 1 122 122 GLU N N 15 114.496 0.2 . 1 . . . . . 122 GLU N . 50903 1 433 . 1 . 1 123 123 LYS H H 1 6.509 0.020 . 1 . . . . . 123 LYS H . 50903 1 434 . 1 . 1 123 123 LYS C C 13 176.618 0.3 . 1 . . . . . 123 LYS C . 50903 1 435 . 1 . 1 123 123 LYS CA C 13 58.435 0.3 . 1 . . . . . 123 LYS CA . 50903 1 436 . 1 . 1 123 123 LYS CB C 13 33.06 0.3 . 1 . . . . . 123 LYS CB . 50903 1 437 . 1 . 1 123 123 LYS N N 15 128.459 0.2 . 1 . . . . . 123 LYS N . 50903 1 438 . 1 . 1 125 125 SER H H 1 7.732 0.020 . 1 . . . . . 125 SER H . 50903 1 439 . 1 . 1 125 125 SER C C 13 174.11 0.3 . 1 . . . . . 125 SER C . 50903 1 440 . 1 . 1 125 125 SER CA C 13 57.764 0.3 . 1 . . . . . 125 SER CA . 50903 1 441 . 1 . 1 125 125 SER CB C 13 64.986 0.3 . 1 . . . . . 125 SER CB . 50903 1 442 . 1 . 1 125 125 SER N N 15 115.809 0.2 . 1 . . . . . 125 SER N . 50903 1 443 . 1 . 1 129 129 ALA H H 1 7.659 0.020 . 1 . . . . . 129 ALA H . 50903 1 444 . 1 . 1 129 129 ALA C C 13 177.657 0.3 . 1 . . . . . 129 ALA C . 50903 1 445 . 1 . 1 129 129 ALA CA C 13 52.41 0.3 . 1 . . . . . 129 ALA CA . 50903 1 446 . 1 . 1 129 129 ALA CB C 13 19.367 0.3 . 1 . . . . . 129 ALA CB . 50903 1 447 . 1 . 1 129 129 ALA N N 15 126.119 0.2 . 1 . . . . . 129 ALA N . 50903 1 448 . 1 . 1 130 130 GLN H H 1 8.521 0.020 . 1 . . . . . 130 GLN H . 50903 1 449 . 1 . 1 130 130 GLN C C 13 175.086 0.3 . 1 . . . . . 130 GLN C . 50903 1 450 . 1 . 1 130 130 GLN CA C 13 55.492 0.3 . 1 . . . . . 130 GLN CA . 50903 1 451 . 1 . 1 130 130 GLN CB C 13 27.319 0.3 . 1 . . . . . 130 GLN CB . 50903 1 452 . 1 . 1 130 130 GLN N N 15 121.428 0.2 . 1 . . . . . 130 GLN N . 50903 1 453 . 1 . 1 131 131 TYR H H 1 6.62 0.020 . 1 . . . . . 131 TYR H . 50903 1 454 . 1 . 1 131 131 TYR C C 13 172.086 0.3 . 1 . . . . . 131 TYR C . 50903 1 455 . 1 . 1 131 131 TYR CA C 13 57.259 0.3 . 1 . . . . . 131 TYR CA . 50903 1 456 . 1 . 1 131 131 TYR CB C 13 38.321 0.3 . 1 . . . . . 131 TYR CB . 50903 1 457 . 1 . 1 131 131 TYR N N 15 122.059 0.2 . 1 . . . . . 131 TYR N . 50903 1 458 . 1 . 1 134 134 THR H H 1 7.697 0.020 . 1 . . . . . 134 THR H . 50903 1 459 . 1 . 1 134 134 THR C C 13 175.229 0.3 . 1 . . . . . 134 THR C . 50903 1 460 . 1 . 1 134 134 THR CA C 13 61.255 0.3 . 1 . . . . . 134 THR CA . 50903 1 461 . 1 . 1 134 134 THR CB C 13 69.41 0.3 . 1 . . . . . 134 THR CB . 50903 1 462 . 1 . 1 134 134 THR N N 15 106.98 0.2 . 1 . . . . . 134 THR N . 50903 1 463 . 1 . 1 135 135 ASP H H 1 7.46 0.020 . 1 . . . . . 135 ASP H . 50903 1 464 . 1 . 1 135 135 ASP C C 13 175.566 0.3 . 1 . . . . . 135 ASP C . 50903 1 465 . 1 . 1 135 135 ASP CA C 13 53.396 0.3 . 1 . . . . . 135 ASP CA . 50903 1 466 . 1 . 1 135 135 ASP CB C 13 41.498 0.3 . 1 . . . . . 135 ASP CB . 50903 1 467 . 1 . 1 135 135 ASP N N 15 124.047 0.2 . 1 . . . . . 135 ASP N . 50903 1 468 . 1 . 1 136 136 ASP H H 1 7.918 0.020 . 1 . . . . . 136 ASP H . 50903 1 469 . 1 . 1 136 136 ASP C C 13 177.449 0.3 . 1 . . . . . 136 ASP C . 50903 1 470 . 1 . 1 136 136 ASP CA C 13 55.093 0.3 . 1 . . . . . 136 ASP CA . 50903 1 471 . 1 . 1 136 136 ASP CB C 13 40.735 0.3 . 1 . . . . . 136 ASP CB . 50903 1 472 . 1 . 1 136 136 ASP N N 15 114.649 0.2 . 1 . . . . . 136 ASP N . 50903 1 473 . 1 . 1 137 137 GLN H H 1 7.905 0.020 . 1 . . . . . 137 GLN H . 50903 1 474 . 1 . 1 137 137 GLN C C 13 177.618 0.3 . 1 . . . . . 137 GLN C . 50903 1 475 . 1 . 1 137 137 GLN CA C 13 55.65 0.3 . 1 . . . . . 137 GLN CA . 50903 1 476 . 1 . 1 137 137 GLN CB C 13 29.656 0.3 . 1 . . . . . 137 GLN CB . 50903 1 477 . 1 . 1 137 137 GLN N N 15 120.616 0.2 . 1 . . . . . 137 GLN N . 50903 1 478 . 1 . 1 138 138 GLU H H 1 8.623 0.020 . 1 . . . . . 138 GLU H . 50903 1 479 . 1 . 1 138 138 GLU C C 13 176.579 0.3 . 1 . . . . . 138 GLU C . 50903 1 480 . 1 . 1 138 138 GLU CA C 13 57.074 0.3 . 1 . . . . . 138 GLU CA . 50903 1 481 . 1 . 1 138 138 GLU CB C 13 30.028 0.3 . 1 . . . . . 138 GLU CB . 50903 1 482 . 1 . 1 138 138 GLU N N 15 125.744 0.2 . 1 . . . . . 138 GLU N . 50903 1 483 . 1 . 1 139 139 MET H H 1 8.645 0.020 . 1 . . . . . 139 MET H . 50903 1 484 . 1 . 1 139 139 MET C C 13 174.203 0.3 . 1 . . . . . 139 MET C . 50903 1 485 . 1 . 1 139 139 MET CA C 13 55.774 0.3 . 1 . . . . . 139 MET CA . 50903 1 486 . 1 . 1 139 139 MET CB C 13 36.217 0.3 . 1 . . . . . 139 MET CB . 50903 1 487 . 1 . 1 139 139 MET N N 15 125.237 0.2 . 1 . . . . . 139 MET N . 50903 1 488 . 1 . 1 140 140 LEU H H 1 8.133 0.020 . 1 . . . . . 140 LEU H . 50903 1 489 . 1 . 1 140 140 LEU C C 13 176.787 0.3 . 1 . . . . . 140 LEU C . 50903 1 490 . 1 . 1 140 140 LEU CA C 13 54.568 0.3 . 1 . . . . . 140 LEU CA . 50903 1 491 . 1 . 1 140 140 LEU CB C 13 44.149 0.3 . 1 . . . . . 140 LEU CB . 50903 1 492 . 1 . 1 140 140 LEU N N 15 126.091 0.2 . 1 . . . . . 140 LEU N . 50903 1 493 . 1 . 1 141 141 PHE H H 1 9.12 0.020 . 1 . . . . . 141 PHE H . 50903 1 494 . 1 . 1 141 141 PHE C C 13 177.631 0.3 . 1 . . . . . 141 PHE C . 50903 1 495 . 1 . 1 141 141 PHE CA C 13 57.074 0.3 . 1 . . . . . 141 PHE CA . 50903 1 496 . 1 . 1 141 141 PHE CB C 13 38.135 0.3 . 1 . . . . . 141 PHE CB . 50903 1 497 . 1 . 1 141 141 PHE N N 15 124.641 0.2 . 1 . . . . . 141 PHE N . 50903 1 498 . 1 . 1 142 142 LYS H H 1 8.799 0.020 . 1 . . . . . 142 LYS H . 50903 1 499 . 1 . 1 142 142 LYS CA C 13 60.168 0.3 . 1 . . . . . 142 LYS CA . 50903 1 500 . 1 . 1 142 142 LYS CB C 13 32.38 0.3 . 1 . . . . . 142 LYS CB . 50903 1 501 . 1 . 1 142 142 LYS N N 15 125.029 0.2 . 1 . . . . . 142 LYS N . 50903 1 502 . 1 . 1 144 144 THR H H 1 6.654 0.020 . 1 . . . . . 144 THR H . 50903 1 503 . 1 . 1 144 144 THR C C 13 175.463 0.3 . 1 . . . . . 144 THR C . 50903 1 504 . 1 . 1 144 144 THR CA C 13 60.391 0.3 . 1 . . . . . 144 THR CA . 50903 1 505 . 1 . 1 144 144 THR CB C 13 70.645 0.3 . 1 . . . . . 144 THR CB . 50903 1 506 . 1 . 1 144 144 THR N N 15 99.546 0.2 . 1 . . . . . 144 THR N . 50903 1 507 . 1 . 1 145 145 GLY H H 1 7.835 0.020 . 1 . . . . . 145 GLY H . 50903 1 508 . 1 . 1 145 145 GLY C C 13 173.541 0.3 . 1 . . . . . 145 GLY C . 50903 1 509 . 1 . 1 145 145 GLY CA C 13 47.747 0.3 . 1 . . . . . 145 GLY CA . 50903 1 510 . 1 . 1 145 145 GLY N N 15 110.077 0.2 . 1 . . . . . 145 GLY N . 50903 1 511 . 1 . 1 146 146 PHE H H 1 7.311 0.020 . 1 . . . . . 146 PHE H . 50903 1 512 . 1 . 1 146 146 PHE C C 13 175.06 0.3 . 1 . . . . . 146 PHE C . 50903 1 513 . 1 . 1 146 146 PHE CA C 13 57.816 0.3 . 1 . . . . . 146 PHE CA . 50903 1 514 . 1 . 1 146 146 PHE CB C 13 44.386 0.3 . 1 . . . . . 146 PHE CB . 50903 1 515 . 1 . 1 146 146 PHE N N 15 115.331 0.2 . 1 . . . . . 146 PHE N . 50903 1 516 . 1 . 1 148 148 VAL H H 1 7.654 0.020 . 1 . . . . . 148 VAL H . 50903 1 517 . 1 . 1 148 148 VAL CA C 13 64.041 0.3 . 1 . . . . . 148 VAL CA . 50903 1 518 . 1 . 1 148 148 VAL CB C 13 38.428 0.3 . 1 . . . . . 148 VAL CB . 50903 1 519 . 1 . 1 148 148 VAL N N 15 118.895 0.2 . 1 . . . . . 148 VAL N . 50903 1 520 . 1 . 1 150 150 LEU H H 1 9.47 0.020 . 1 . . . . . 150 LEU H . 50903 1 521 . 1 . 1 150 150 LEU C C 13 176.813 0.3 . 1 . . . . . 150 LEU C . 50903 1 522 . 1 . 1 150 150 LEU CA C 13 55.403 0.3 . 1 . . . . . 150 LEU CA . 50903 1 523 . 1 . 1 150 150 LEU CB C 13 42.282 0.3 . 1 . . . . . 150 LEU CB . 50903 1 524 . 1 . 1 150 150 LEU N N 15 127.254 0.2 . 1 . . . . . 150 LEU N . 50903 1 525 . 1 . 1 151 151 LEU H H 1 9.168 0.020 . 1 . . . . . 151 LEU H . 50903 1 526 . 1 . 1 151 151 LEU C C 13 178.865 0.3 . 1 . . . . . 151 LEU C . 50903 1 527 . 1 . 1 151 151 LEU CA C 13 56.888 0.3 . 1 . . . . . 151 LEU CA . 50903 1 528 . 1 . 1 151 151 LEU CB C 13 42.344 0.3 . 1 . . . . . 151 LEU CB . 50903 1 529 . 1 . 1 151 151 LEU N N 15 129.042 0.2 . 1 . . . . . 151 LEU N . 50903 1 530 . 1 . 1 152 152 SER H H 1 7.558 0.020 . 1 . . . . . 152 SER H . 50903 1 531 . 1 . 1 152 152 SER C C 13 172.813 0.3 . 1 . . . . . 152 SER C . 50903 1 532 . 1 . 1 152 152 SER CA C 13 58.335 0.3 . 1 . . . . . 152 SER CA . 50903 1 533 . 1 . 1 152 152 SER CB C 13 64.289 0.3 . 1 . . . . . 152 SER CB . 50903 1 534 . 1 . 1 152 152 SER N N 15 109.348 0.2 . 1 . . . . . 152 SER N . 50903 1 535 . 1 . 1 153 153 GLU H H 1 8.556 0.020 . 1 . . . . . 153 GLU H . 50903 1 536 . 1 . 1 153 153 GLU C C 13 174.67 0.3 . 1 . . . . . 153 GLU C . 50903 1 537 . 1 . 1 153 153 GLU CA C 13 55.465 0.3 . 1 . . . . . 153 GLU CA . 50903 1 538 . 1 . 1 153 153 GLU CB C 13 33.865 0.3 . 1 . . . . . 153 GLU CB . 50903 1 539 . 1 . 1 153 153 GLU N N 15 118.716 0.2 . 1 . . . . . 153 GLU N . 50903 1 540 . 1 . 1 154 154 ASP H H 1 8.543 0.020 . 1 . . . . . 154 ASP H . 50903 1 541 . 1 . 1 154 154 ASP C C 13 175.605 0.3 . 1 . . . . . 154 ASP C . 50903 1 542 . 1 . 1 154 154 ASP CA C 13 53.484 0.3 . 1 . . . . . 154 ASP CA . 50903 1 543 . 1 . 1 154 154 ASP CB C 13 42.591 0.3 . 1 . . . . . 154 ASP CB . 50903 1 544 . 1 . 1 154 154 ASP N N 15 124.574 0.2 . 1 . . . . . 154 ASP N . 50903 1 545 . 1 . 1 155 155 VAL H H 1 8.504 0.020 . 1 . . . . . 155 VAL H . 50903 1 546 . 1 . 1 155 155 VAL C C 13 176.904 0.3 . 1 . . . . . 155 VAL C . 50903 1 547 . 1 . 1 155 155 VAL CA C 13 63.387 0.3 . 1 . . . . . 155 VAL CA . 50903 1 548 . 1 . 1 155 155 VAL CB C 13 32.194 0.3 . 1 . . . . . 155 VAL CB . 50903 1 549 . 1 . 1 155 155 VAL N N 15 127.034 0.2 . 1 . . . . . 155 VAL N . 50903 1 550 . 1 . 1 156 156 LYS H H 1 8.063 0.020 . 1 . . . . . 156 LYS H . 50903 1 551 . 1 . 1 156 156 LYS C C 13 178.06 0.3 . 1 . . . . . 156 LYS C . 50903 1 552 . 1 . 1 156 156 LYS CA C 13 54.103 0.3 . 1 . . . . . 156 LYS CA . 50903 1 553 . 1 . 1 156 156 LYS CB C 13 33.432 0.3 . 1 . . . . . 156 LYS CB . 50903 1 554 . 1 . 1 156 156 LYS N N 15 128.673 0.2 . 1 . . . . . 156 LYS N . 50903 1 555 . 1 . 1 158 158 TYR H H 1 7.072 0.020 . 1 . . . . . 158 TYR H . 50903 1 556 . 1 . 1 158 158 TYR C C 13 174.67 0.3 . 1 . . . . . 158 TYR C . 50903 1 557 . 1 . 1 158 158 TYR CA C 13 56.372 0.3 . 1 . . . . . 158 TYR CA . 50903 1 558 . 1 . 1 158 158 TYR CB C 13 39.123 0.3 . 1 . . . . . 158 TYR CB . 50903 1 559 . 1 . 1 158 158 TYR N N 15 112.919 0.2 . 1 . . . . . 158 TYR N . 50903 1 560 . 1 . 1 159 159 TYR H H 1 6.529 0.020 . 1 . . . . . 159 TYR H . 50903 1 561 . 1 . 1 159 159 TYR C C 13 172.878 0.3 . 1 . . . . . 159 TYR C . 50903 1 562 . 1 . 1 159 159 TYR CA C 13 56.602 0.3 . 1 . . . . . 159 TYR CA . 50903 1 563 . 1 . 1 159 159 TYR CB C 13 41.313 0.3 . 1 . . . . . 159 TYR CB . 50903 1 564 . 1 . 1 159 159 TYR N N 15 113.405 0.2 . 1 . . . . . 159 TYR N . 50903 1 565 . 1 . 1 160 160 THR H H 1 9.272 0.020 . 1 . . . . . 160 THR H . 50903 1 566 . 1 . 1 160 160 THR C C 13 173.541 0.3 . 1 . . . . . 160 THR C . 50903 1 567 . 1 . 1 160 160 THR CA C 13 61.22 0.3 . 1 . . . . . 160 THR CA . 50903 1 568 . 1 . 1 160 160 THR CB C 13 74.155 0.3 . 1 . . . . . 160 THR CB . 50903 1 569 . 1 . 1 160 160 THR N N 15 116.793 0.2 . 1 . . . . . 160 THR N . 50903 1 570 . 1 . 1 161 161 VAL H H 1 8.527 0.020 . 1 . . . . . 161 VAL H . 50903 1 571 . 1 . 1 161 161 VAL C C 13 177.112 0.3 . 1 . . . . . 161 VAL C . 50903 1 572 . 1 . 1 161 161 VAL CA C 13 60.973 0.3 . 1 . . . . . 161 VAL CA . 50903 1 573 . 1 . 1 161 161 VAL CB C 13 33.803 0.3 . 1 . . . . . 161 VAL CB . 50903 1 574 . 1 . 1 161 161 VAL N N 15 124.892 0.2 . 1 . . . . . 161 VAL N . 50903 1 575 . 1 . 1 162 162 HIS H H 1 9.734 0.020 . 1 . . . . . 162 HIS H . 50903 1 576 . 1 . 1 162 162 HIS C C 13 174.398 0.3 . 1 . . . . . 162 HIS C . 50903 1 577 . 1 . 1 162 162 HIS CA C 13 55.483 0.3 . 1 . . . . . 162 HIS CA . 50903 1 578 . 1 . 1 162 162 HIS CB C 13 30.241 0.3 . 1 . . . . . 162 HIS CB . 50903 1 579 . 1 . 1 162 162 HIS N N 15 126.516 0.2 . 1 . . . . . 162 HIS N . 50903 1 580 . 1 . 1 163 163 LEU H H 1 8.99 0.020 . 1 . . . . . 163 LEU H . 50903 1 581 . 1 . 1 163 163 LEU C C 13 176.138 0.3 . 1 . . . . . 163 LEU C . 50903 1 582 . 1 . 1 163 163 LEU CA C 13 55.359 0.3 . 1 . . . . . 163 LEU CA . 50903 1 583 . 1 . 1 163 163 LEU CB C 13 41.466 0.3 . 1 . . . . . 163 LEU CB . 50903 1 584 . 1 . 1 163 163 LEU N N 15 128.177 0.2 . 1 . . . . . 163 LEU N . 50903 1 585 . 1 . 1 165 165 GLN H H 1 7.945 0.020 . 1 . . . . . 165 GLN H . 50903 1 586 . 1 . 1 165 165 GLN C C 13 177.683 0.3 . 1 . . . . . 165 GLN C . 50903 1 587 . 1 . 1 165 165 GLN CA C 13 54.986 0.3 . 1 . . . . . 165 GLN CA . 50903 1 588 . 1 . 1 165 165 GLN CB C 13 34.458 0.3 . 1 . . . . . 165 GLN CB . 50903 1 589 . 1 . 1 165 165 GLN N N 15 125.171 0.2 . 1 . . . . . 165 GLN N . 50903 1 590 . 1 . 1 166 166 LEU H H 1 9.094 0.020 . 1 . . . . . 166 LEU H . 50903 1 591 . 1 . 1 166 166 LEU C C 13 172.301 0.3 . 1 . . . . . 166 LEU C . 50903 1 592 . 1 . 1 166 166 LEU CA C 13 55.682 0.3 . 1 . . . . . 166 LEU CA . 50903 1 593 . 1 . 1 166 166 LEU CB C 13 39.134 0.3 . 1 . . . . . 166 LEU CB . 50903 1 594 . 1 . 1 166 166 LEU N N 15 121.739 0.2 . 1 . . . . . 166 LEU N . 50903 1 595 . 1 . 1 168 168 ASN H H 1 8.183 0.020 . 1 . . . . . 168 ASN H . 50903 1 596 . 1 . 1 168 168 ASN C C 13 176.67 0.3 . 1 . . . . . 168 ASN C . 50903 1 597 . 1 . 1 168 168 ASN CA C 13 51.886 0.3 . 1 . . . . . 168 ASN CA . 50903 1 598 . 1 . 1 168 168 ASN CB C 13 37.745 0.3 . 1 . . . . . 168 ASN CB . 50903 1 599 . 1 . 1 168 168 ASN N N 15 124.386 0.2 . 1 . . . . . 168 ASN N . 50903 1 600 . 1 . 1 169 169 ILE H H 1 7.815 0.020 . 1 . . . . . 169 ILE H . 50903 1 601 . 1 . 1 169 169 ILE C C 13 178.501 0.3 . 1 . . . . . 169 ILE C . 50903 1 602 . 1 . 1 169 169 ILE CA C 13 63.82 0.3 . 1 . . . . . 169 ILE CA . 50903 1 603 . 1 . 1 169 169 ILE CB C 13 37.269 0.3 . 1 . . . . . 169 ILE CB . 50903 1 604 . 1 . 1 169 169 ILE N N 15 124.077 0.2 . 1 . . . . . 169 ILE N . 50903 1 605 . 1 . 1 170 170 ASN H H 1 7.598 0.020 . 1 . . . . . 170 ASN H . 50903 1 606 . 1 . 1 170 170 ASN C C 13 176.813 0.3 . 1 . . . . . 170 ASN C . 50903 1 607 . 1 . 1 170 170 ASN CA C 13 56.022 0.3 . 1 . . . . . 170 ASN CA . 50903 1 608 . 1 . 1 170 170 ASN CB C 13 39.064 0.3 . 1 . . . . . 170 ASN CB . 50903 1 609 . 1 . 1 170 170 ASN N N 15 116.338 0.2 . 1 . . . . . 170 ASN N . 50903 1 610 . 1 . 1 171 171 SER H H 1 7.152 0.020 . 1 . . . . . 171 SER H . 50903 1 611 . 1 . 1 171 171 SER C C 13 176.93 0.3 . 1 . . . . . 171 SER C . 50903 1 612 . 1 . 1 171 171 SER CA C 13 58.397 0.3 . 1 . . . . . 171 SER CA . 50903 1 613 . 1 . 1 171 171 SER CB C 13 66.15 0.3 . 1 . . . . . 171 SER CB . 50903 1 614 . 1 . 1 171 171 SER N N 15 112.498 0.2 . 1 . . . . . 171 SER N . 50903 1 615 . 1 . 1 172 172 GLY H H 1 8.4 0.020 . 1 . . . . . 172 GLY H . 50903 1 616 . 1 . 1 172 172 GLY C C 13 175.034 0.3 . 1 . . . . . 172 GLY C . 50903 1 617 . 1 . 1 172 172 GLY CA C 13 46.242 0.3 . 1 . . . . . 172 GLY CA . 50903 1 618 . 1 . 1 172 172 GLY N N 15 113.658 0.2 . 1 . . . . . 172 GLY N . 50903 1 619 . 1 . 1 173 173 GLU H H 1 7.57 0.020 . 1 . . . . . 173 GLU H . 50903 1 620 . 1 . 1 173 173 GLU C C 13 176.164 0.3 . 1 . . . . . 173 GLU C . 50903 1 621 . 1 . 1 173 173 GLU CA C 13 56.95 0.3 . 1 . . . . . 173 GLU CA . 50903 1 622 . 1 . 1 173 173 GLU CB C 13 33.184 0.3 . 1 . . . . . 173 GLU CB . 50903 1 623 . 1 . 1 173 173 GLU N N 15 120.677 0.2 . 1 . . . . . 173 GLU N . 50903 1 624 . 1 . 1 174 174 THR H H 1 8.371 0.020 . 1 . . . . . 174 THR H . 50903 1 625 . 1 . 1 174 174 THR C C 13 175.333 0.3 . 1 . . . . . 174 THR C . 50903 1 626 . 1 . 1 174 174 THR CA C 13 60.452 0.3 . 1 . . . . . 174 THR CA . 50903 1 627 . 1 . 1 174 174 THR CB C 13 72.993 0.3 . 1 . . . . . 174 THR CB . 50903 1 628 . 1 . 1 174 174 THR N N 15 111.965 0.2 . 1 . . . . . 174 THR N . 50903 1 629 . 1 . 1 175 175 ARG H H 1 9.221 0.020 . 1 . . . . . 175 ARG H . 50903 1 630 . 1 . 1 175 175 ARG C C 13 176.138 0.3 . 1 . . . . . 175 ARG C . 50903 1 631 . 1 . 1 175 175 ARG CA C 13 56.109 0.3 . 1 . . . . . 175 ARG CA . 50903 1 632 . 1 . 1 175 175 ARG CB C 13 36.258 0.3 . 1 . . . . . 175 ARG CB . 50903 1 633 . 1 . 1 175 175 ARG N N 15 122.125 0.2 . 1 . . . . . 175 ARG N . 50903 1 634 . 1 . 1 176 176 THR H H 1 8.568 0.020 . 1 . . . . . 176 THR H . 50903 1 635 . 1 . 1 176 176 THR C C 13 175.177 0.3 . 1 . . . . . 176 THR C . 50903 1 636 . 1 . 1 176 176 THR CA C 13 62.149 0.3 . 1 . . . . . 176 THR CA . 50903 1 637 . 1 . 1 176 176 THR CB C 13 69.823 0.3 . 1 . . . . . 176 THR CB . 50903 1 638 . 1 . 1 176 176 THR N N 15 118.162 0.2 . 1 . . . . . 176 THR N . 50903 1 639 . 1 . 1 179 179 HIS H H 1 8.173 0.020 . 1 . . . . . 179 HIS H . 50903 1 640 . 1 . 1 179 179 HIS C C 13 179.163 0.3 . 1 . . . . . 179 HIS C . 50903 1 641 . 1 . 1 179 179 HIS CA C 13 60.106 0.3 . 1 . . . . . 179 HIS CA . 50903 1 642 . 1 . 1 179 179 HIS CB C 13 30.275 0.3 . 1 . . . . . 179 HIS CB . 50903 1 643 . 1 . 1 179 179 HIS N N 15 121.84 0.2 . 1 . . . . . 179 HIS N . 50903 1 644 . 1 . 1 180 180 PHE H H 1 8.618 0.020 . 1 . . . . . 180 PHE H . 50903 1 645 . 1 . 1 180 180 PHE C C 13 177.19 0.3 . 1 . . . . . 180 PHE C . 50903 1 646 . 1 . 1 180 180 PHE CA C 13 62.83 0.3 . 1 . . . . . 180 PHE CA . 50903 1 647 . 1 . 1 180 180 PHE CB C 13 40.797 0.3 . 1 . . . . . 180 PHE CB . 50903 1 648 . 1 . 1 180 180 PHE N N 15 119.254 0.2 . 1 . . . . . 180 PHE N . 50903 1 649 . 1 . 1 181 181 HIS H H 1 7.919 0.020 . 1 . . . . . 181 HIS H . 50903 1 650 . 1 . 1 181 181 HIS C C 13 180.618 0.3 . 1 . . . . . 181 HIS C . 50903 1 651 . 1 . 1 181 181 HIS CA C 13 59.983 0.3 . 1 . . . . . 181 HIS CA . 50903 1 652 . 1 . 1 181 181 HIS CB C 13 29.718 0.3 . 1 . . . . . 181 HIS CB . 50903 1 653 . 1 . 1 181 181 HIS N N 15 117.959 0.2 . 1 . . . . . 181 HIS N . 50903 1 654 . 1 . 1 183 183 THR H H 1 7.348 0.020 . 1 . . . . . 183 THR H . 50903 1 655 . 1 . 1 183 183 THR C C 13 176.773 0.3 . 1 . . . . . 183 THR C . 50903 1 656 . 1 . 1 183 183 THR CA C 13 61.468 0.3 . 1 . . . . . 183 THR CA . 50903 1 657 . 1 . 1 183 183 THR CB C 13 69.142 0.3 . 1 . . . . . 183 THR CB . 50903 1 658 . 1 . 1 183 183 THR N N 15 116.262 0.2 . 1 . . . . . 183 THR N . 50903 1 659 . 1 . 1 184 184 THR H H 1 6.022 0.020 . 1 . . . . . 184 THR H . 50903 1 660 . 1 . 1 184 184 THR C C 13 176.099 0.3 . 1 . . . . . 184 THR C . 50903 1 661 . 1 . 1 184 184 THR CA C 13 61.142 0.3 . 1 . . . . . 184 THR CA . 50903 1 662 . 1 . 1 184 184 THR CB C 13 69.179 0.3 . 1 . . . . . 184 THR CB . 50903 1 663 . 1 . 1 184 184 THR N N 15 107.146 0.2 . 1 . . . . . 184 THR N . 50903 1 664 . 1 . 1 185 185 TRP H H 1 8.921 0.020 . 1 . . . . . 185 TRP H . 50903 1 665 . 1 . 1 185 185 TRP C C 13 176.052 0.3 . 1 . . . . . 185 TRP C . 50903 1 666 . 1 . 1 185 185 TRP CA C 13 57.507 0.3 . 1 . . . . . 185 TRP CA . 50903 1 667 . 1 . 1 185 185 TRP CB C 13 27.862 0.3 . 1 . . . . . 185 TRP CB . 50903 1 668 . 1 . 1 185 185 TRP N N 15 130.055 0.2 . 1 . . . . . 185 TRP N . 50903 1 669 . 1 . 1 187 187 ASP H H 1 8.328 0.020 . 1 . . . . . 187 ASP H . 50903 1 670 . 1 . 1 187 187 ASP C C 13 176.865 0.3 . 1 . . . . . 187 ASP C . 50903 1 671 . 1 . 1 187 187 ASP CA C 13 57.631 0.3 . 1 . . . . . 187 ASP CA . 50903 1 672 . 1 . 1 187 187 ASP CB C 13 41.601 0.3 . 1 . . . . . 187 ASP CB . 50903 1 673 . 1 . 1 187 187 ASP N N 15 119.515 0.2 . 1 . . . . . 187 ASP N . 50903 1 674 . 1 . 1 188 188 PHE H H 1 7.504 0.020 . 1 . . . . . 188 PHE H . 50903 1 675 . 1 . 1 188 188 PHE C C 13 176.322 0.3 . 1 . . . . . 188 PHE C . 50903 1 676 . 1 . 1 188 188 PHE CA C 13 57.033 0.3 . 1 . . . . . 188 PHE CA . 50903 1 677 . 1 . 1 188 188 PHE CB C 13 41.56 0.3 . 1 . . . . . 188 PHE CB . 50903 1 678 . 1 . 1 188 188 PHE N N 15 114.555 0.2 . 1 . . . . . 188 PHE N . 50903 1 679 . 1 . 1 189 189 GLY H H 1 8.285 0.020 . 1 . . . . . 189 GLY H . 50903 1 680 . 1 . 1 189 189 GLY CA C 13 46.491 0.3 . 1 . . . . . 189 GLY CA . 50903 1 681 . 1 . 1 189 189 GLY N N 15 110.141 0.2 . 1 . . . . . 189 GLY N . 50903 1 682 . 1 . 1 193 193 SER H H 1 7.65 0.020 . 1 . . . . . 193 SER H . 50903 1 683 . 1 . 1 193 193 SER C C 13 175.463 0.3 . 1 . . . . . 193 SER C . 50903 1 684 . 1 . 1 193 193 SER CA C 13 53.889 0.3 . 1 . . . . . 193 SER CA . 50903 1 685 . 1 . 1 193 193 SER CB C 13 65.048 0.3 . 1 . . . . . 193 SER CB . 50903 1 686 . 1 . 1 193 193 SER N N 15 110.723 0.2 . 1 . . . . . 193 SER N . 50903 1 687 . 1 . 1 195 195 ALA H H 1 9.22 0.020 . 1 . . . . . 195 ALA H . 50903 1 688 . 1 . 1 195 195 ALA C C 13 177.371 0.3 . 1 . . . . . 195 ALA C . 50903 1 689 . 1 . 1 195 195 ALA CA C 13 53.051 0.3 . 1 . . . . . 195 ALA CA . 50903 1 690 . 1 . 1 195 195 ALA CB C 13 18.888 0.3 . 1 . . . . . 195 ALA CB . 50903 1 691 . 1 . 1 195 195 ALA N N 15 127.353 0.2 . 1 . . . . . 195 ALA N . 50903 1 692 . 1 . 1 200 200 PHE H H 1 8.37 0.020 . 1 . . . . . 200 PHE H . 50903 1 693 . 1 . 1 200 200 PHE C C 13 178.605 0.3 . 1 . . . . . 200 PHE C . 50903 1 694 . 1 . 1 200 200 PHE CA C 13 63.696 0.3 . 1 . . . . . 200 PHE CA . 50903 1 695 . 1 . 1 200 200 PHE CB C 13 39.311 0.3 . 1 . . . . . 200 PHE CB . 50903 1 696 . 1 . 1 200 200 PHE N N 15 120.376 0.2 . 1 . . . . . 200 PHE N . 50903 1 697 . 1 . 1 201 201 LEU H H 1 8.167 0.020 . 1 . . . . . 201 LEU H . 50903 1 698 . 1 . 1 201 201 LEU C C 13 180.002 0.3 . 1 . . . . . 201 LEU C . 50903 1 699 . 1 . 1 201 201 LEU CA C 13 58.188 0.3 . 1 . . . . . 201 LEU CA . 50903 1 700 . 1 . 1 201 201 LEU CB C 13 41.044 0.3 . 1 . . . . . 201 LEU CB . 50903 1 701 . 1 . 1 201 201 LEU N N 15 119.004 0.2 . 1 . . . . . 201 LEU N . 50903 1 702 . 1 . 1 203 203 LYS H H 1 9.465 0.020 . 1 . . . . . 203 LYS H . 50903 1 703 . 1 . 1 203 203 LYS C C 13 174.359 0.3 . 1 . . . . . 203 LYS C . 50903 1 704 . 1 . 1 203 203 LYS CA C 13 52.816 0.3 . 1 . . . . . 203 LYS CA . 50903 1 705 . 1 . 1 203 203 LYS CB C 13 34.768 0.3 . 1 . . . . . 203 LYS CB . 50903 1 706 . 1 . 1 203 203 LYS N N 15 126.578 0.2 . 1 . . . . . 203 LYS N . 50903 1 707 . 1 . 1 205 205 ARG H H 1 8.354 0.020 . 1 . . . . . 205 ARG H . 50903 1 708 . 1 . 1 205 205 ARG C C 13 181.592 0.3 . 1 . . . . . 205 ARG C . 50903 1 709 . 1 . 1 205 205 ARG CA C 13 60.168 0.3 . 1 . . . . . 205 ARG CA . 50903 1 710 . 1 . 1 205 205 ARG CB C 13 30.894 0.3 . 1 . . . . . 205 ARG CB . 50903 1 711 . 1 . 1 205 205 ARG N N 15 120.387 0.2 . 1 . . . . . 205 ARG N . 50903 1 712 . 1 . 1 206 206 GLU H H 1 8.483 0.020 . 1 . . . . . 206 GLU H . 50903 1 713 . 1 . 1 206 206 GLU C C 13 178.397 0.3 . 1 . . . . . 206 GLU C . 50903 1 714 . 1 . 1 206 206 GLU CA C 13 59.314 0.3 . 1 . . . . . 206 GLU CA . 50903 1 715 . 1 . 1 206 206 GLU CB C 13 29.847 0.3 . 1 . . . . . 206 GLU CB . 50903 1 716 . 1 . 1 206 206 GLU N N 15 121.374 0.2 . 1 . . . . . 206 GLU N . 50903 1 717 . 1 . 1 207 207 SER H H 1 7.27 0.020 . 1 . . . . . 207 SER H . 50903 1 718 . 1 . 1 207 207 SER C C 13 176.203 0.3 . 1 . . . . . 207 SER C . 50903 1 719 . 1 . 1 207 207 SER CA C 13 60.787 0.3 . 1 . . . . . 207 SER CA . 50903 1 720 . 1 . 1 207 207 SER CB C 13 65.862 0.3 . 1 . . . . . 207 SER CB . 50903 1 721 . 1 . 1 207 207 SER N N 15 112.626 0.2 . 1 . . . . . 207 SER N . 50903 1 722 . 1 . 1 208 208 GLY H H 1 7.835 0.020 . 1 . . . . . 208 GLY H . 50903 1 723 . 1 . 1 208 208 GLY C C 13 177.073 0.3 . 1 . . . . . 208 GLY C . 50903 1 724 . 1 . 1 208 208 GLY CA C 13 46.245 0.3 . 1 . . . . . 208 GLY CA . 50903 1 725 . 1 . 1 208 208 GLY N N 15 110.524 0.2 . 1 . . . . . 208 GLY N . 50903 1 726 . 1 . 1 211 211 ASN H H 1 7.219 0.020 . 1 . . . . . 211 ASN H . 50903 1 727 . 1 . 1 211 211 ASN C C 13 176.566 0.3 . 1 . . . . . 211 ASN C . 50903 1 728 . 1 . 1 211 211 ASN CA C 13 52.41 0.3 . 1 . . . . . 211 ASN CA . 50903 1 729 . 1 . 1 211 211 ASN CB C 13 37.923 0.3 . 1 . . . . . 211 ASN CB . 50903 1 730 . 1 . 1 211 211 ASN N N 15 119.877 0.2 . 1 . . . . . 211 ASN N . 50903 1 731 . 1 . 1 213 213 ASP H H 1 8.095 0.020 . 1 . . . . . 213 ASP H . 50903 1 732 . 1 . 1 213 213 ASP C C 13 176.735 0.3 . 1 . . . . . 213 ASP C . 50903 1 733 . 1 . 1 213 213 ASP CA C 13 54.986 0.3 . 1 . . . . . 213 ASP CA . 50903 1 734 . 1 . 1 213 213 ASP CB C 13 39.792 0.3 . 1 . . . . . 213 ASP CB . 50903 1 735 . 1 . 1 213 213 ASP N N 15 116.116 0.2 . 1 . . . . . 213 ASP N . 50903 1 736 . 1 . 1 214 214 HIS H H 1 7.465 0.020 . 1 . . . . . 214 HIS H . 50903 1 737 . 1 . 1 214 214 HIS C C 13 175.839 0.3 . 1 . . . . . 214 HIS C . 50903 1 738 . 1 . 1 214 214 HIS CA C 13 55.184 0.3 . 1 . . . . . 214 HIS CA . 50903 1 739 . 1 . 1 214 214 HIS CB C 13 32.991 0.3 . 1 . . . . . 214 HIS CB . 50903 1 740 . 1 . 1 214 214 HIS N N 15 118.093 0.2 . 1 . . . . . 214 HIS N . 50903 1 741 . 1 . 1 215 215 GLY H H 1 7.205 0.020 . 1 . . . . . 215 GLY H . 50903 1 742 . 1 . 1 215 215 GLY C C 13 172.257 0.3 . 1 . . . . . 215 GLY C . 50903 1 743 . 1 . 1 215 215 GLY CA C 13 45.07 0.3 . 1 . . . . . 215 GLY CA . 50903 1 744 . 1 . 1 215 215 GLY N N 15 105.341 0.2 . 1 . . . . . 215 GLY N . 50903 1 745 . 1 . 1 217 217 ALA H H 1 8.239 0.020 . 1 . . . . . 217 ALA H . 50903 1 746 . 1 . 1 217 217 ALA C C 13 174.566 0.3 . 1 . . . . . 217 ALA C . 50903 1 747 . 1 . 1 217 217 ALA CA C 13 53.051 0.3 . 1 . . . . . 217 ALA CA . 50903 1 748 . 1 . 1 217 217 ALA CB C 13 19.568 0.3 . 1 . . . . . 217 ALA CB . 50903 1 749 . 1 . 1 217 217 ALA N N 15 124.547 0.2 . 1 . . . . . 217 ALA N . 50903 1 750 . 1 . 1 224 224 GLY H H 1 8.806 0.020 . 1 . . . . . 224 GLY H . 50903 1 751 . 1 . 1 224 224 GLY C C 13 176.216 0.3 . 1 . . . . . 224 GLY C . 50903 1 752 . 1 . 1 224 224 GLY CA C 13 48.226 0.3 . 1 . . . . . 224 GLY CA . 50903 1 753 . 1 . 1 224 224 GLY N N 15 112.059 0.2 . 1 . . . . . 224 GLY N . 50903 1 754 . 1 . 1 225 225 ILE H H 1 7.294 0.020 . 1 . . . . . 225 ILE H . 50903 1 755 . 1 . 1 225 225 ILE C C 13 177.423 0.3 . 1 . . . . . 225 ILE C . 50903 1 756 . 1 . 1 225 225 ILE CA C 13 62.182 0.3 . 1 . . . . . 225 ILE CA . 50903 1 757 . 1 . 1 225 225 ILE CB C 13 40.746 0.3 . 1 . . . . . 225 ILE CB . 50903 1 758 . 1 . 1 225 225 ILE N N 15 108.808 0.2 . 1 . . . . . 225 ILE N . 50903 1 759 . 1 . 1 227 227 ARG H H 1 7.944 0.020 . 1 . . . . . 227 ARG H . 50903 1 760 . 1 . 1 227 227 ARG C C 13 173.099 0.3 . 1 . . . . . 227 ARG C . 50903 1 761 . 1 . 1 227 227 ARG CA C 13 58.064 0.3 . 1 . . . . . 227 ARG CA . 50903 1 762 . 1 . 1 227 227 ARG CB C 13 31.266 0.3 . 1 . . . . . 227 ARG CB . 50903 1 763 . 1 . 1 227 227 ARG N N 15 113.985 0.2 . 1 . . . . . 227 ARG N . 50903 1 764 . 1 . 1 229 229 GLY H H 1 6.189 0.020 . 1 . . . . . 229 GLY H . 50903 1 765 . 1 . 1 229 229 GLY C C 13 174.483 0.3 . 1 . . . . . 229 GLY C . 50903 1 766 . 1 . 1 229 229 GLY CA C 13 47.665 0.3 . 1 . . . . . 229 GLY CA . 50903 1 767 . 1 . 1 229 229 GLY N N 15 106.806 0.2 . 1 . . . . . 229 GLY N . 50903 1 768 . 1 . 1 230 230 THR H H 1 7.747 0.020 . 1 . . . . . 230 THR H . 50903 1 769 . 1 . 1 230 230 THR CA C 13 67.781 0.3 . 1 . . . . . 230 THR CA . 50903 1 770 . 1 . 1 230 230 THR CB C 13 68.895 0.3 . 1 . . . . . 230 THR CB . 50903 1 771 . 1 . 1 230 230 THR N N 15 119.244 0.2 . 1 . . . . . 230 THR N . 50903 1 772 . 1 . 1 232 232 SER H H 1 7.842 0.020 . 1 . . . . . 232 SER H . 50903 1 773 . 1 . 1 232 232 SER CA C 13 59.514 0.3 . 1 . . . . . 232 SER CA . 50903 1 774 . 1 . 1 232 232 SER CB C 13 67.248 0.3 . 1 . . . . . 232 SER CB . 50903 1 775 . 1 . 1 232 232 SER N N 15 115.832 0.2 . 1 . . . . . 232 SER N . 50903 1 776 . 1 . 1 234 234 VAL H H 1 8.57 0.020 . 1 . . . . . 234 VAL H . 50903 1 777 . 1 . 1 234 234 VAL C C 13 178.147 0.3 . 1 . . . . . 234 VAL C . 50903 1 778 . 1 . 1 234 234 VAL CA C 13 63.897 0.3 . 1 . . . . . 234 VAL CA . 50903 1 779 . 1 . 1 234 234 VAL CB C 13 31.964 0.3 . 1 . . . . . 234 VAL CB . 50903 1 780 . 1 . 1 234 234 VAL N N 15 126.894 0.2 . 1 . . . . . 234 VAL N . 50903 1 781 . 1 . 1 237 237 CYS H H 1 7.366 0.020 . 1 . . . . . 237 CYS H . 50903 1 782 . 1 . 1 237 237 CYS C C 13 176.501 0.3 . 1 . . . . . 237 CYS C . 50903 1 783 . 1 . 1 237 237 CYS CA C 13 61.41 0.3 . 1 . . . . . 237 CYS CA . 50903 1 784 . 1 . 1 237 237 CYS CB C 13 34.039 0.3 . 1 . . . . . 237 CYS CB . 50903 1 785 . 1 . 1 237 237 CYS N N 15 116.726 0.2 . 1 . . . . . 237 CYS N . 50903 1 786 . 1 . 1 239 239 VAL H H 1 8.985 0.020 . 1 . . . . . 239 VAL H . 50903 1 787 . 1 . 1 239 239 VAL C C 13 174.791 0.3 . 1 . . . . . 239 VAL C . 50903 1 788 . 1 . 1 239 239 VAL CA C 13 61.441 0.3 . 1 . . . . . 239 VAL CA . 50903 1 789 . 1 . 1 239 239 VAL CB C 13 34.939 0.3 . 1 . . . . . 239 VAL CB . 50903 1 790 . 1 . 1 239 239 VAL N N 15 125.138 0.2 . 1 . . . . . 239 VAL N . 50903 1 791 . 1 . 1 242 242 GLU H H 1 7.948 0.020 . 1 . . . . . 242 GLU H . 50903 1 792 . 1 . 1 242 242 GLU C C 13 179.05 0.3 . 1 . . . . . 242 GLU C . 50903 1 793 . 1 . 1 242 242 GLU CA C 13 60.106 0.3 . 1 . . . . . 242 GLU CA . 50903 1 794 . 1 . 1 242 242 GLU CB C 13 29.595 0.3 . 1 . . . . . 242 GLU CB . 50903 1 795 . 1 . 1 242 242 GLU N N 15 121.627 0.2 . 1 . . . . . 242 GLU N . 50903 1 796 . 1 . 1 243 243 LYS H H 1 7.51 0.020 . 1 . . . . . 243 LYS H . 50903 1 797 . 1 . 1 243 243 LYS C C 13 178.008 0.3 . 1 . . . . . 243 LYS C . 50903 1 798 . 1 . 1 243 243 LYS CA C 13 57.588 0.3 . 1 . . . . . 243 LYS CA . 50903 1 799 . 1 . 1 243 243 LYS CB C 13 32.744 0.3 . 1 . . . . . 243 LYS CB . 50903 1 800 . 1 . 1 243 243 LYS N N 15 116.465 0.2 . 1 . . . . . 243 LYS N . 50903 1 801 . 1 . 1 244 244 GLY H H 1 7.522 0.020 . 1 . . . . . 244 GLY H . 50903 1 802 . 1 . 1 244 244 GLY C C 13 174.735 0.3 . 1 . . . . . 244 GLY C . 50903 1 803 . 1 . 1 244 244 GLY CA C 13 45.626 0.3 . 1 . . . . . 244 GLY CA . 50903 1 804 . 1 . 1 244 244 GLY N N 15 106.769 0.2 . 1 . . . . . 244 GLY N . 50903 1 805 . 1 . 1 245 245 ASP H H 1 7.662 0.020 . 1 . . . . . 245 ASP H . 50903 1 806 . 1 . 1 245 245 ASP C C 13 176.917 0.3 . 1 . . . . . 245 ASP C . 50903 1 807 . 1 . 1 245 245 ASP CA C 13 55.093 0.3 . 1 . . . . . 245 ASP CA . 50903 1 808 . 1 . 1 245 245 ASP CB C 13 41.787 0.3 . 1 . . . . . 245 ASP CB . 50903 1 809 . 1 . 1 245 245 ASP N N 15 120.73 0.2 . 1 . . . . . 245 ASP N . 50903 1 810 . 1 . 1 246 246 ASP H H 1 8.283 0.020 . 1 . . . . . 246 ASP H . 50903 1 811 . 1 . 1 246 246 ASP CA C 13 54.691 0.3 . 1 . . . . . 246 ASP CA . 50903 1 812 . 1 . 1 246 246 ASP CB C 13 41.005 0.3 . 1 . . . . . 246 ASP CB . 50903 1 813 . 1 . 1 246 246 ASP N N 15 121.498 0.2 . 1 . . . . . 246 ASP N . 50903 1 814 . 1 . 1 247 247 ILE H H 1 7.672 0.020 . 1 . . . . . 247 ILE H . 50903 1 815 . 1 . 1 247 247 ILE C C 13 175.216 0.3 . 1 . . . . . 247 ILE C . 50903 1 816 . 1 . 1 247 247 ILE CA C 13 60.671 0.3 . 1 . . . . . 247 ILE CA . 50903 1 817 . 1 . 1 247 247 ILE CB C 13 40.82 0.3 . 1 . . . . . 247 ILE CB . 50903 1 818 . 1 . 1 247 247 ILE N N 15 118.339 0.2 . 1 . . . . . 247 ILE N . 50903 1 819 . 1 . 1 249 249 ILE H H 1 7.855 0.020 . 1 . . . . . 249 ILE H . 50903 1 820 . 1 . 1 249 249 ILE CA C 13 63.421 0.3 . 1 . . . . . 249 ILE CA . 50903 1 821 . 1 . 1 249 249 ILE CB C 13 40.598 0.3 . 1 . . . . . 249 ILE CB . 50903 1 822 . 1 . 1 249 249 ILE N N 15 119.608 0.2 . 1 . . . . . 249 ILE N . 50903 1 823 . 1 . 1 250 250 LYS H H 1 7.827 0.020 . 1 . . . . . 250 LYS H . 50903 1 824 . 1 . 1 250 250 LYS C C 13 178.229 0.3 . 1 . . . . . 250 LYS C . 50903 1 825 . 1 . 1 250 250 LYS CA C 13 59.549 0.3 . 1 . . . . . 250 LYS CA . 50903 1 826 . 1 . 1 250 250 LYS CB C 13 28.79 0.3 . 1 . . . . . 250 LYS CB . 50903 1 827 . 1 . 1 250 250 LYS N N 15 120.358 0.2 . 1 . . . . . 250 LYS N . 50903 1 828 . 1 . 1 252 252 VAL H H 1 8.189 0.020 . 1 . . . . . 252 VAL H . 50903 1 829 . 1 . 1 252 252 VAL CA C 13 67.186 0.3 . 1 . . . . . 252 VAL CA . 50903 1 830 . 1 . 1 252 252 VAL CB C 13 31.665 0.3 . 1 . . . . . 252 VAL CB . 50903 1 831 . 1 . 1 252 252 VAL N N 15 121.794 0.2 . 1 . . . . . 252 VAL N . 50903 1 832 . 1 . 1 255 255 ASN H H 1 7.337 0.020 . 1 . . . . . 255 ASN H . 50903 1 833 . 1 . 1 255 255 ASN C C 13 174.856 0.3 . 1 . . . . . 255 ASN C . 50903 1 834 . 1 . 1 255 255 ASN CA C 13 52.382 0.3 . 1 . . . . . 255 ASN CA . 50903 1 835 . 1 . 1 255 255 ASN CB C 13 42.459 0.3 . 1 . . . . . 255 ASN CB . 50903 1 836 . 1 . 1 255 255 ASN N N 15 113.859 0.2 . 1 . . . . . 255 ASN N . 50903 1 837 . 1 . 1 256 256 MET H H 1 9.368 0.020 . 1 . . . . . 256 MET H . 50903 1 838 . 1 . 1 256 256 MET C C 13 178.358 0.3 . 1 . . . . . 256 MET C . 50903 1 839 . 1 . 1 256 256 MET CA C 13 56.582 0.3 . 1 . . . . . 256 MET CA . 50903 1 840 . 1 . 1 256 256 MET CB C 13 31.885 0.3 . 1 . . . . . 256 MET CB . 50903 1 841 . 1 . 1 256 256 MET N N 15 120.728 0.2 . 1 . . . . . 256 MET N . 50903 1 842 . 1 . 1 258 258 LYS H H 1 7.536 0.020 . 1 . . . . . 258 LYS H . 50903 1 843 . 1 . 1 258 258 LYS C C 13 176.813 0.3 . 1 . . . . . 258 LYS C . 50903 1 844 . 1 . 1 258 258 LYS CA C 13 59.376 0.3 . 1 . . . . . 258 LYS CA . 50903 1 845 . 1 . 1 258 258 LYS CB C 13 31.758 0.3 . 1 . . . . . 258 LYS CB . 50903 1 846 . 1 . 1 258 258 LYS N N 15 119.445 0.2 . 1 . . . . . 258 LYS N . 50903 1 847 . 1 . 1 259 259 TYR H H 1 8.076 0.020 . 1 . . . . . 259 TYR H . 50903 1 848 . 1 . 1 259 259 TYR C C 13 178.956 0.3 . 1 . . . . . 259 TYR C . 50903 1 849 . 1 . 1 259 259 TYR CA C 13 60.754 0.3 . 1 . . . . . 259 TYR CA . 50903 1 850 . 1 . 1 259 259 TYR CB C 13 40.474 0.3 . 1 . . . . . 259 TYR CB . 50903 1 851 . 1 . 1 259 259 TYR N N 15 112.999 0.2 . 1 . . . . . 259 TYR N . 50903 1 852 . 1 . 1 260 260 ARG H H 1 7.318 0.020 . 1 . . . . . 260 ARG H . 50903 1 853 . 1 . 1 260 260 ARG C C 13 172.372 0.3 . 1 . . . . . 260 ARG C . 50903 1 854 . 1 . 1 260 260 ARG CA C 13 57.136 0.3 . 1 . . . . . 260 ARG CA . 50903 1 855 . 1 . 1 260 260 ARG CB C 13 31.946 0.3 . 1 . . . . . 260 ARG CB . 50903 1 856 . 1 . 1 260 260 ARG N N 15 120.866 0.2 . 1 . . . . . 260 ARG N . 50903 1 857 . 1 . 1 261 261 MET H H 1 8.357 0.020 . 1 . . . . . 261 MET H . 50903 1 858 . 1 . 1 261 261 MET C C 13 177.034 0.3 . 1 . . . . . 261 MET C . 50903 1 859 . 1 . 1 261 261 MET CA C 13 55.985 0.3 . 1 . . . . . 261 MET CA . 50903 1 860 . 1 . 1 261 261 MET CB C 13 32.498 0.3 . 1 . . . . . 261 MET CB . 50903 1 861 . 1 . 1 261 261 MET N N 15 122.357 0.2 . 1 . . . . . 261 MET N . 50903 1 862 . 1 . 1 262 262 GLY H H 1 8.674 0.020 . 1 . . . . . 262 GLY H . 50903 1 863 . 1 . 1 262 262 GLY C C 13 175.769 0.3 . 1 . . . . . 262 GLY C . 50903 1 864 . 1 . 1 262 262 GLY CA C 13 47.219 0.3 . 1 . . . . . 262 GLY CA . 50903 1 865 . 1 . 1 262 262 GLY N N 15 100.955 0.2 . 1 . . . . . 262 GLY N . 50903 1 866 . 1 . 1 263 263 LEU H H 1 6.324 0.020 . 1 . . . . . 263 LEU H . 50903 1 867 . 1 . 1 263 263 LEU C C 13 181.189 0.3 . 1 . . . . . 263 LEU C . 50903 1 868 . 1 . 1 263 263 LEU CA C 13 56.393 0.3 . 1 . . . . . 263 LEU CA . 50903 1 869 . 1 . 1 263 263 LEU CB C 13 41.477 0.3 . 1 . . . . . 263 LEU CB . 50903 1 870 . 1 . 1 263 263 LEU N N 15 114.116 0.2 . 1 . . . . . 263 LEU N . 50903 1 871 . 1 . 1 264 264 ILE H H 1 8.078 0.020 . 1 . . . . . 264 ILE H . 50903 1 872 . 1 . 1 264 264 ILE C C 13 176.242 0.3 . 1 . . . . . 264 ILE C . 50903 1 873 . 1 . 1 264 264 ILE CA C 13 65.84 0.3 . 1 . . . . . 264 ILE CA . 50903 1 874 . 1 . 1 264 264 ILE CB C 13 32.66 0.3 . 1 . . . . . 264 ILE CB . 50903 1 875 . 1 . 1 264 264 ILE N N 15 114.462 0.2 . 1 . . . . . 264 ILE N . 50903 1 876 . 1 . 1 265 265 GLN H H 1 8.661 0.020 . 1 . . . . . 265 GLN H . 50903 1 877 . 1 . 1 265 265 GLN C C 13 175.878 0.3 . 1 . . . . . 265 GLN C . 50903 1 878 . 1 . 1 265 265 GLN CA C 13 57.878 0.3 . 1 . . . . . 265 GLN CA . 50903 1 879 . 1 . 1 265 265 GLN CB C 13 33.184 0.3 . 1 . . . . . 265 GLN CB . 50903 1 880 . 1 . 1 265 265 GLN N N 15 125.249 0.2 . 1 . . . . . 265 GLN N . 50903 1 881 . 1 . 1 266 266 THR H H 1 6.654 0.020 . 1 . . . . . 266 THR H . 50903 1 882 . 1 . 1 266 266 THR C C 13 173.595 0.3 . 1 . . . . . 266 THR C . 50903 1 883 . 1 . 1 266 266 THR CA C 13 57.734 0.3 . 1 . . . . . 266 THR CA . 50903 1 884 . 1 . 1 266 266 THR CB C 13 71.201 0.3 . 1 . . . . . 266 THR CB . 50903 1 885 . 1 . 1 266 266 THR N N 15 105.616 0.2 . 1 . . . . . 266 THR N . 50903 1 886 . 1 . 1 268 268 ASP H H 1 8.109 0.020 . 1 . . . . . 268 ASP H . 50903 1 887 . 1 . 1 268 268 ASP C C 13 180.165 0.3 . 1 . . . . . 268 ASP C . 50903 1 888 . 1 . 1 268 268 ASP CA C 13 58.745 0.3 . 1 . . . . . 268 ASP CA . 50903 1 889 . 1 . 1 268 268 ASP CB C 13 41.405 0.3 . 1 . . . . . 268 ASP CB . 50903 1 890 . 1 . 1 268 268 ASP N N 15 120.639 0.2 . 1 . . . . . 268 ASP N . 50903 1 891 . 1 . 1 270 270 LEU H H 1 8.333 0.020 . 1 . . . . . 270 LEU H . 50903 1 892 . 1 . 1 270 270 LEU C C 13 177.878 0.3 . 1 . . . . . 270 LEU C . 50903 1 893 . 1 . 1 270 270 LEU CA C 13 53.766 0.3 . 1 . . . . . 270 LEU CA . 50903 1 894 . 1 . 1 270 270 LEU CB C 13 35.888 0.3 . 1 . . . . . 270 LEU CB . 50903 1 895 . 1 . 1 270 270 LEU N N 15 123.893 0.2 . 1 . . . . . 270 LEU N . 50903 1 896 . 1 . 1 273 273 SER H H 1 8.235 0.020 . 1 . . . . . 273 SER H . 50903 1 897 . 1 . 1 273 273 SER C C 13 176.813 0.3 . 1 . . . . . 273 SER C . 50903 1 898 . 1 . 1 273 273 SER CA C 13 59.376 0.3 . 1 . . . . . 273 SER CA . 50903 1 899 . 1 . 1 273 273 SER CB C 13 64.863 0.3 . 1 . . . . . 273 SER CB . 50903 1 900 . 1 . 1 273 273 SER N N 15 122.456 0.2 . 1 . . . . . 273 SER N . 50903 1 901 . 1 . 1 276 276 ALA H H 1 7.718 0.020 . 1 . . . . . 276 ALA H . 50903 1 902 . 1 . 1 276 276 ALA CA C 13 56.537 0.3 . 1 . . . . . 276 ALA CA . 50903 1 903 . 1 . 1 276 276 ALA CB C 13 18.892 0.3 . 1 . . . . . 276 ALA CB . 50903 1 904 . 1 . 1 276 276 ALA N N 15 123.221 0.2 . 1 . . . . . 276 ALA N . 50903 1 905 . 1 . 1 277 277 ILE H H 1 8.44 0.020 . 1 . . . . . 277 ILE H . 50903 1 906 . 1 . 1 277 277 ILE CA C 13 59.39 0.3 . 1 . . . . . 277 ILE CA . 50903 1 907 . 1 . 1 277 277 ILE CB C 13 42.583 0.3 . 1 . . . . . 277 ILE CB . 50903 1 908 . 1 . 1 277 277 ILE N N 15 123.18 0.2 . 1 . . . . . 277 ILE N . 50903 1 909 . 1 . 1 278 278 ILE H H 1 7.673 0.020 . 1 . . . . . 278 ILE H . 50903 1 910 . 1 . 1 278 278 ILE CA C 13 59.477 0.3 . 1 . . . . . 278 ILE CA . 50903 1 911 . 1 . 1 278 278 ILE CB C 13 42.521 0.3 . 1 . . . . . 278 ILE CB . 50903 1 912 . 1 . 1 278 278 ILE N N 15 125.604 0.2 . 1 . . . . . 278 ILE N . 50903 1 913 . 1 . 1 280 280 GLY H H 1 8.807 0.020 . 1 . . . . . 280 GLY H . 50903 1 914 . 1 . 1 280 280 GLY C C 13 176.475 0.3 . 1 . . . . . 280 GLY C . 50903 1 915 . 1 . 1 280 280 GLY CA C 13 48.335 0.3 . 1 . . . . . 280 GLY CA . 50903 1 916 . 1 . 1 280 280 GLY N N 15 110.506 0.2 . 1 . . . . . 280 GLY N . 50903 1 917 . 1 . 1 281 281 ALA H H 1 8.421 0.020 . 1 . . . . . 281 ALA H . 50903 1 918 . 1 . 1 281 281 ALA C C 13 180.696 0.3 . 1 . . . . . 281 ALA C . 50903 1 919 . 1 . 1 281 281 ALA CA C 13 55.246 0.3 . 1 . . . . . 281 ALA CA . 50903 1 920 . 1 . 1 281 281 ALA CB C 13 18.196 0.3 . 1 . . . . . 281 ALA CB . 50903 1 921 . 1 . 1 281 281 ALA N N 15 124.666 0.2 . 1 . . . . . 281 ALA N . 50903 1 922 . 1 . 1 282 282 LYS H H 1 7.178 0.020 . 1 . . . . . 282 LYS H . 50903 1 923 . 1 . 1 282 282 LYS C C 13 179.787 0.3 . 1 . . . . . 282 LYS C . 50903 1 924 . 1 . 1 282 282 LYS CA C 13 59.487 0.3 . 1 . . . . . 282 LYS CA . 50903 1 925 . 1 . 1 282 282 LYS CB C 13 32.565 0.3 . 1 . . . . . 282 LYS CB . 50903 1 926 . 1 . 1 282 282 LYS N N 15 116.315 0.2 . 1 . . . . . 282 LYS N . 50903 1 927 . 1 . 1 283 283 CYS H H 1 7.597 0.020 . 1 . . . . . 283 CYS H . 50903 1 928 . 1 . 1 283 283 CYS C C 13 177.462 0.3 . 1 . . . . . 283 CYS C . 50903 1 929 . 1 . 1 283 283 CYS CA C 13 61.592 0.3 . 1 . . . . . 283 CYS CA . 50903 1 930 . 1 . 1 283 283 CYS CB C 13 27.862 0.3 . 1 . . . . . 283 CYS CB . 50903 1 931 . 1 . 1 283 283 CYS N N 15 116.972 0.2 . 1 . . . . . 283 CYS N . 50903 1 932 . 1 . 1 284 284 ILE H H 1 7.566 0.020 . 1 . . . . . 284 ILE H . 50903 1 933 . 1 . 1 284 284 ILE C C 13 177.917 0.3 . 1 . . . . . 284 ILE C . 50903 1 934 . 1 . 1 284 284 ILE CA C 13 63.63 0.3 . 1 . . . . . 284 ILE CA . 50903 1 935 . 1 . 1 284 284 ILE CB C 13 38.354 0.3 . 1 . . . . . 284 ILE CB . 50903 1 936 . 1 . 1 284 284 ILE N N 15 118.727 0.2 . 1 . . . . . 284 ILE N . 50903 1 937 . 1 . 1 285 285 LYS H H 1 7.832 0.020 . 1 . . . . . 285 LYS H . 50903 1 938 . 1 . 1 285 285 LYS C C 13 178.229 0.3 . 1 . . . . . 285 LYS C . 50903 1 939 . 1 . 1 285 285 LYS CA C 13 57.569 0.3 . 1 . . . . . 285 LYS CA . 50903 1 940 . 1 . 1 285 285 LYS CB C 13 32.627 0.3 . 1 . . . . . 285 LYS CB . 50903 1 941 . 1 . 1 285 285 LYS N N 15 121.099 0.2 . 1 . . . . . 285 LYS N . 50903 1 942 . 1 . 1 286 286 GLY H H 1 7.755 0.020 . 1 . . . . . 286 GLY H . 50903 1 943 . 1 . 1 286 286 GLY C C 13 174.956 0.3 . 1 . . . . . 286 GLY C . 50903 1 944 . 1 . 1 286 286 GLY CA C 13 45.935 0.3 . 1 . . . . . 286 GLY CA . 50903 1 945 . 1 . 1 286 286 GLY N N 15 108.112 0.2 . 1 . . . . . 286 GLY N . 50903 1 946 . 1 . 1 287 287 ASP H H 1 7.93 0.020 . 1 . . . . . 287 ASP H . 50903 1 947 . 1 . 1 287 287 ASP C C 13 177.787 0.3 . 1 . . . . . 287 ASP C . 50903 1 948 . 1 . 1 287 287 ASP CA C 13 54.846 0.3 . 1 . . . . . 287 ASP CA . 50903 1 949 . 1 . 1 287 287 ASP CB C 13 41.663 0.3 . 1 . . . . . 287 ASP CB . 50903 1 950 . 1 . 1 287 287 ASP N N 15 120.791 0.2 . 1 . . . . . 287 ASP N . 50903 1 951 . 1 . 1 288 288 SER H H 1 8.281 0.020 . 1 . . . . . 288 SER H . 50903 1 952 . 1 . 1 288 288 SER C C 13 177.709 0.3 . 1 . . . . . 288 SER C . 50903 1 953 . 1 . 1 288 288 SER CA C 13 59.797 0.3 . 1 . . . . . 288 SER CA . 50903 1 954 . 1 . 1 288 288 SER CB C 13 63.758 0.3 . 1 . . . . . 288 SER CB . 50903 1 955 . 1 . 1 288 288 SER N N 15 118.107 0.2 . 1 . . . . . 288 SER N . 50903 1 956 . 1 . 1 289 289 SER H H 1 8.368 0.020 . 1 . . . . . 289 SER H . 50903 1 957 . 1 . 1 289 289 SER CA C 13 60.416 0.3 . 1 . . . . . 289 SER CA . 50903 1 958 . 1 . 1 289 289 SER CB C 13 63.758 0.3 . 1 . . . . . 289 SER CB . 50903 1 959 . 1 . 1 289 289 SER N N 15 118.69 0.2 . 1 . . . . . 289 SER N . 50903 1 960 . 1 . 1 290 290 ILE H H 1 7.654 0.020 . 1 . . . . . 290 ILE H . 50903 1 961 . 1 . 1 290 290 ILE C C 13 177.514 0.3 . 1 . . . . . 290 ILE C . 50903 1 962 . 1 . 1 290 290 ILE CA C 13 62.768 0.3 . 1 . . . . . 290 ILE CA . 50903 1 963 . 1 . 1 290 290 ILE CB C 13 37.95 0.3 . 1 . . . . . 290 ILE CB . 50903 1 964 . 1 . 1 290 290 ILE N N 15 122.633 0.2 . 1 . . . . . 290 ILE N . 50903 1 965 . 1 . 1 291 291 GLN H H 1 7.858 0.020 . 1 . . . . . 291 GLN H . 50903 1 966 . 1 . 1 291 291 GLN C C 13 179.151 0.3 . 1 . . . . . 291 GLN C . 50903 1 967 . 1 . 1 291 291 GLN CA C 13 60.203 0.3 . 1 . . . . . 291 GLN CA . 50903 1 968 . 1 . 1 291 291 GLN CB C 13 29.223 0.3 . 1 . . . . . 291 GLN CB . 50903 1 969 . 1 . 1 291 291 GLN N N 15 121.615 0.2 . 1 . . . . . 291 GLN N . 50903 1 970 . 1 . 1 293 293 ARG H H 1 6.03 0.020 . 1 . . . . . 293 ARG H . 50903 1 971 . 1 . 1 293 293 ARG C C 13 177.696 0.3 . 1 . . . . . 293 ARG C . 50903 1 972 . 1 . 1 293 293 ARG CA C 13 56.972 0.3 . 1 . . . . . 293 ARG CA . 50903 1 973 . 1 . 1 293 293 ARG CB C 13 29.169 0.3 . 1 . . . . . 293 ARG CB . 50903 1 974 . 1 . 1 293 293 ARG N N 15 120.765 0.2 . 1 . . . . . 293 ARG N . 50903 1 975 . 1 . 1 296 296 GLU H H 1 8.018 0.020 . 1 . . . . . 296 GLU H . 50903 1 976 . 1 . 1 296 296 GLU C C 13 178.293 0.3 . 1 . . . . . 296 GLU C . 50903 1 977 . 1 . 1 296 296 GLU CA C 13 57.816 0.3 . 1 . . . . . 296 GLU CA . 50903 1 978 . 1 . 1 296 296 GLU CB C 13 30.09 0.3 . 1 . . . . . 296 GLU CB . 50903 1 979 . 1 . 1 296 296 GLU N N 15 121.353 0.2 . 1 . . . . . 296 GLU N . 50903 1 980 . 1 . 1 297 297 LEU H H 1 8.098 0.020 . 1 . . . . . 297 LEU H . 50903 1 981 . 1 . 1 297 297 LEU C C 13 178.852 0.3 . 1 . . . . . 297 LEU C . 50903 1 982 . 1 . 1 297 297 LEU CA C 13 56.269 0.3 . 1 . . . . . 297 LEU CA . 50903 1 983 . 1 . 1 297 297 LEU CB C 13 42.22 0.3 . 1 . . . . . 297 LEU CB . 50903 1 984 . 1 . 1 297 297 LEU N N 15 122.532 0.2 . 1 . . . . . 297 LEU N . 50903 1 985 . 1 . 1 298 298 SER H H 1 8.131 0.020 . 1 . . . . . 298 SER H . 50903 1 986 . 1 . 1 298 298 SER C C 13 175.553 0.3 . 1 . . . . . 298 SER C . 50903 1 987 . 1 . 1 298 298 SER CA C 13 59.142 0.3 . 1 . . . . . 298 SER CA . 50903 1 988 . 1 . 1 298 298 SER CB C 13 64.289 0.3 . 1 . . . . . 298 SER CB . 50903 1 989 . 1 . 1 298 298 SER N N 15 116.324 0.2 . 1 . . . . . 298 SER N . 50903 1 990 . 1 . 1 300 300 GLU H H 1 8.187 0.020 . 1 . . . . . 300 GLU H . 50903 1 991 . 1 . 1 300 300 GLU C C 13 177.203 0.3 . 1 . . . . . 300 GLU C . 50903 1 992 . 1 . 1 300 300 GLU CA C 13 57.693 0.3 . 1 . . . . . 300 GLU CA . 50903 1 993 . 1 . 1 300 300 GLU CB C 13 30.275 0.3 . 1 . . . . . 300 GLU CB . 50903 1 994 . 1 . 1 300 300 GLU N N 15 120.821 0.2 . 1 . . . . . 300 GLU N . 50903 1 995 . 1 . 1 301 301 ASP H H 1 8.087 0.020 . 1 . . . . . 301 ASP H . 50903 1 996 . 1 . 1 301 301 ASP C C 13 177.112 0.3 . 1 . . . . . 301 ASP C . 50903 1 997 . 1 . 1 301 301 ASP CA C 13 55.093 0.3 . 1 . . . . . 301 ASP CA . 50903 1 998 . 1 . 1 301 301 ASP CB C 13 41.477 0.3 . 1 . . . . . 301 ASP CB . 50903 1 999 . 1 . 1 301 301 ASP N N 15 120.768 0.2 . 1 . . . . . 301 ASP N . 50903 1 1000 . 1 . 1 302 302 LEU H H 1 7.857 0.020 . 1 . . . . . 302 LEU H . 50903 1 1001 . 1 . 1 302 302 LEU C C 13 177.229 0.3 . 1 . . . . . 302 LEU C . 50903 1 1002 . 1 . 1 302 302 LEU CA C 13 55.492 0.3 . 1 . . . . . 302 LEU CA . 50903 1 1003 . 1 . 1 302 302 LEU CB C 13 42.176 0.3 . 1 . . . . . 302 LEU CB . 50903 1 1004 . 1 . 1 302 302 LEU N N 15 122.656 0.2 . 1 . . . . . 302 LEU N . 50903 1 1005 . 1 . 1 303 303 SER H H 1 7.816 0.020 . 1 . . . . . 303 SER H . 50903 1 1006 . 1 . 1 303 303 SER C C 13 173.982 0.3 . 1 . . . . . 303 SER C . 50903 1 1007 . 1 . 1 303 303 SER CA C 13 56.207 0.3 . 1 . . . . . 303 SER CA . 50903 1 1008 . 1 . 1 303 303 SER CB C 13 64.439 0.3 . 1 . . . . . 303 SER CB . 50903 1 1009 . 1 . 1 303 303 SER N N 15 116.712 0.2 . 1 . . . . . 303 SER N . 50903 1 1010 . 1 . 1 305 305 ALA H H 1 8.057 0.020 . 1 . . . . . 305 ALA H . 50903 1 1011 . 1 . 1 305 305 ALA C C 13 178.241 0.3 . 1 . . . . . 305 ALA C . 50903 1 1012 . 1 . 1 305 305 ALA CA C 13 52.656 0.3 . 1 . . . . . 305 ALA CA . 50903 1 1013 . 1 . 1 305 305 ALA CB C 13 19.552 0.3 . 1 . . . . . 305 ALA CB . 50903 1 1014 . 1 . 1 305 305 ALA N N 15 124.173 0.2 . 1 . . . . . 305 ALA N . 50903 1 1015 . 1 . 1 306 306 PHE H H 1 7.968 0.020 . 1 . . . . . 306 PHE H . 50903 1 1016 . 1 . 1 306 306 PHE C C 13 175.683 0.3 . 1 . . . . . 306 PHE C . 50903 1 1017 . 1 . 1 306 306 PHE CA C 13 57.878 0.3 . 1 . . . . . 306 PHE CA . 50903 1 1018 . 1 . 1 306 306 PHE CB C 13 39.868 0.3 . 1 . . . . . 306 PHE CB . 50903 1 1019 . 1 . 1 306 306 PHE N N 15 119.506 0.2 . 1 . . . . . 306 PHE N . 50903 1 1020 . 1 . 1 307 307 ASP H H 1 7.8 0.020 . 1 . . . . . 307 ASP H . 50903 1 1021 . 1 . 1 307 307 ASP C C 13 181.774 0.3 . 1 . . . . . 307 ASP C . 50903 1 1022 . 1 . 1 307 307 ASP CA C 13 56.428 0.3 . 1 . . . . . 307 ASP CA . 50903 1 1023 . 1 . 1 307 307 ASP CB C 13 42.715 0.3 . 1 . . . . . 307 ASP CB . 50903 1 1024 . 1 . 1 307 307 ASP N N 15 126.906 0.2 . 1 . . . . . 307 ASP N . 50903 1 stop_ save_