data_51815 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51815 _Entry.Title ; Chemical shifts of HLA-B*0702 in complex with acute myeloid leukemia phosphoneoantigen pMLL747-755 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-31 _Entry.Accession_date 2023-01-31 _Entry.Last_release_date 2023-01-31 _Entry.Original_release_date 2023-01-31 _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 Aswin Natarajan . . . 0000-0001-9087-0277 51815 2 Yury Patskovsky . . . 0000-0003-3316-2295 51815 3 Dennis Underwood . . . 0000-0001-8307-9073 51815 4 Michelle Krogsgaard . . . 0000-0001-5006-7981 51815 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51815 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 683 51815 '15N chemical shifts' 246 51815 '1H chemical shifts' 246 51815 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 . . 2023-06-26 2023-01-31 update BMRB 'update entry citation' 51815 1 . . 2023-02-03 2023-01-31 original author 'original release' 51815 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51815 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37353482 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular mechanism of phosphopeptide neoantigen immunogenicity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _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 3763 _Citation.Page_last 3763 _Citation.Year 2023 _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 Yury Patskovsky . . . . 51815 1 2 Aswin Natarajan . . . . 51815 1 3 Larysa Patskovska . . . . 51815 1 4 Samantha Nyovanie . . . . 51815 1 5 Bishnu Joshi . . . . 51815 1 6 Benjamin Morin . . . . 51815 1 7 Christine Brittsan . . . . 51815 1 8 Olivia Huber . . . . 51815 1 9 Samuel Gordon . . . . 51815 1 10 Xavier Michelet . . . . 51815 1 11 Florian Schmitzberger . . . . 51815 1 12 Robert Stein . B. . . 51815 1 13 Mark Findeis . A. . . 51815 1 14 Andy Hurwitz . . . . 51815 1 15 Marc 'Van Dijk' . . . . 51815 1 16 Jennifer Buell . S. . . 51815 1 17 Dennis Underwood . . . . 51815 1 18 Michelle Krogsgaard . . . . 51815 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51815 _Assembly.ID 1 _Assembly.Name 'HLA-B*0702 in complex with phosphoantigen peptide, EPRpSPSHSM and beta-2 microglobulin' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 HLA-B*0702 1 $entity_1 . . yes native no no . . . 51815 1 2 phospho-MLL 2 $entity_2 . . no native yes no . . . 51815 1 3 'beta-2 microglobulin' 3 $entity_3 . . no native no no . . . 51815 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51815 _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 ; MGSHSMRYFYTSVSRPGRGE PRFISVGYVDDTQFVRFDSD AASPREEPRAPWIEQEGPEY WDRNTQIYKAQAQTDRESLR NLRGYYNQSEAGSHTLQSMY GCDVGPDGRLLRGHDQYAYD GKDYIALNEDLRSWTAADTA AQITQRKWEAAREAEQRRAY LEGECVEWLRRYLENGKDKL ERADPPKTHVTHHPISDHEA TLRCWALGFYPAEITLTWQR DGEDQTQDTELVETRPAGDR TFQKWAAVVVPSGEEQRYTC HVQHEGLPKPLTLRWEPSSQ STVPIVGTGLNDIFEAQKIE WHE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 303 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . MET . 51815 1 2 . GLY . 51815 1 3 . SER . 51815 1 4 . HIS . 51815 1 5 . SER . 51815 1 6 . MET . 51815 1 7 . ARG . 51815 1 8 . TYR . 51815 1 9 . PHE . 51815 1 10 . TYR . 51815 1 11 . THR . 51815 1 12 . SER . 51815 1 13 . VAL . 51815 1 14 . SER . 51815 1 15 . ARG . 51815 1 16 . PRO . 51815 1 17 . GLY . 51815 1 18 . ARG . 51815 1 19 . GLY . 51815 1 20 . GLU . 51815 1 21 . PRO . 51815 1 22 . ARG . 51815 1 23 . PHE . 51815 1 24 . ILE . 51815 1 25 . SER . 51815 1 26 . VAL . 51815 1 27 . GLY . 51815 1 28 . TYR . 51815 1 29 . VAL . 51815 1 30 . ASP . 51815 1 31 . ASP . 51815 1 32 . THR . 51815 1 33 . GLN . 51815 1 34 . PHE . 51815 1 35 . VAL . 51815 1 36 . ARG . 51815 1 37 . PHE . 51815 1 38 . ASP . 51815 1 39 . SER . 51815 1 40 . ASP . 51815 1 41 . ALA . 51815 1 42 . ALA . 51815 1 43 . SER . 51815 1 44 . PRO . 51815 1 45 . ARG . 51815 1 46 . GLU . 51815 1 47 . GLU . 51815 1 48 . PRO . 51815 1 49 . ARG . 51815 1 50 . ALA . 51815 1 51 . PRO . 51815 1 52 . TRP . 51815 1 53 . ILE . 51815 1 54 . GLU . 51815 1 55 . GLN . 51815 1 56 . GLU . 51815 1 57 . GLY . 51815 1 58 . PRO . 51815 1 59 . GLU . 51815 1 60 . TYR . 51815 1 61 . TRP . 51815 1 62 . ASP . 51815 1 63 . ARG . 51815 1 64 . ASN . 51815 1 65 . THR . 51815 1 66 . GLN . 51815 1 67 . ILE . 51815 1 68 . TYR . 51815 1 69 . LYS . 51815 1 70 . ALA . 51815 1 71 . GLN . 51815 1 72 . ALA . 51815 1 73 . GLN . 51815 1 74 . THR . 51815 1 75 . ASP . 51815 1 76 . ARG . 51815 1 77 . GLU . 51815 1 78 . SER . 51815 1 79 . LEU . 51815 1 80 . ARG . 51815 1 81 . ASN . 51815 1 82 . LEU . 51815 1 83 . ARG . 51815 1 84 . GLY . 51815 1 85 . TYR . 51815 1 86 . TYR . 51815 1 87 . ASN . 51815 1 88 . GLN . 51815 1 89 . SER . 51815 1 90 . GLU . 51815 1 91 . ALA . 51815 1 92 . GLY . 51815 1 93 . SER . 51815 1 94 . HIS . 51815 1 95 . THR . 51815 1 96 . LEU . 51815 1 97 . GLN . 51815 1 98 . SER . 51815 1 99 . MET . 51815 1 100 . TYR . 51815 1 101 . GLY . 51815 1 102 . CYS . 51815 1 103 . ASP . 51815 1 104 . VAL . 51815 1 105 . GLY . 51815 1 106 . PRO . 51815 1 107 . ASP . 51815 1 108 . GLY . 51815 1 109 . ARG . 51815 1 110 . LEU . 51815 1 111 . LEU . 51815 1 112 . ARG . 51815 1 113 . GLY . 51815 1 114 . HIS . 51815 1 115 . ASP . 51815 1 116 . GLN . 51815 1 117 . TYR . 51815 1 118 . ALA . 51815 1 119 . TYR . 51815 1 120 . ASP . 51815 1 121 . GLY . 51815 1 122 . LYS . 51815 1 123 . ASP . 51815 1 124 . TYR . 51815 1 125 . ILE . 51815 1 126 . ALA . 51815 1 127 . LEU . 51815 1 128 . ASN . 51815 1 129 . GLU . 51815 1 130 . ASP . 51815 1 131 . LEU . 51815 1 132 . ARG . 51815 1 133 . SER . 51815 1 134 . TRP . 51815 1 135 . THR . 51815 1 136 . ALA . 51815 1 137 . ALA . 51815 1 138 . ASP . 51815 1 139 . THR . 51815 1 140 . ALA . 51815 1 141 . ALA . 51815 1 142 . GLN . 51815 1 143 . ILE . 51815 1 144 . THR . 51815 1 145 . GLN . 51815 1 146 . ARG . 51815 1 147 . LYS . 51815 1 148 . TRP . 51815 1 149 . GLU . 51815 1 150 . ALA . 51815 1 151 . ALA . 51815 1 152 . ARG . 51815 1 153 . GLU . 51815 1 154 . ALA . 51815 1 155 . GLU . 51815 1 156 . GLN . 51815 1 157 . ARG . 51815 1 158 . ARG . 51815 1 159 . ALA . 51815 1 160 . TYR . 51815 1 161 . LEU . 51815 1 162 . GLU . 51815 1 163 . GLY . 51815 1 164 . GLU . 51815 1 165 . CYS . 51815 1 166 . VAL . 51815 1 167 . GLU . 51815 1 168 . TRP . 51815 1 169 . LEU . 51815 1 170 . ARG . 51815 1 171 . ARG . 51815 1 172 . TYR . 51815 1 173 . LEU . 51815 1 174 . GLU . 51815 1 175 . ASN . 51815 1 176 . GLY . 51815 1 177 . LYS . 51815 1 178 . ASP . 51815 1 179 . LYS . 51815 1 180 . LEU . 51815 1 181 . GLU . 51815 1 182 . ARG . 51815 1 183 . ALA . 51815 1 184 . ASP . 51815 1 185 . PRO . 51815 1 186 . PRO . 51815 1 187 . LYS . 51815 1 188 . THR . 51815 1 189 . HIS . 51815 1 190 . VAL . 51815 1 191 . THR . 51815 1 192 . HIS . 51815 1 193 . HIS . 51815 1 194 . PRO . 51815 1 195 . ILE . 51815 1 196 . SER . 51815 1 197 . ASP . 51815 1 198 . HIS . 51815 1 199 . GLU . 51815 1 200 . ALA . 51815 1 201 . THR . 51815 1 202 . LEU . 51815 1 203 . ARG . 51815 1 204 . CYS . 51815 1 205 . TRP . 51815 1 206 . ALA . 51815 1 207 . LEU . 51815 1 208 . GLY . 51815 1 209 . PHE . 51815 1 210 . TYR . 51815 1 211 . PRO . 51815 1 212 . ALA . 51815 1 213 . GLU . 51815 1 214 . ILE . 51815 1 215 . THR . 51815 1 216 . LEU . 51815 1 217 . THR . 51815 1 218 . TRP . 51815 1 219 . GLN . 51815 1 220 . ARG . 51815 1 221 . ASP . 51815 1 222 . GLY . 51815 1 223 . GLU . 51815 1 224 . ASP . 51815 1 225 . GLN . 51815 1 226 . THR . 51815 1 227 . GLN . 51815 1 228 . ASP . 51815 1 229 . THR . 51815 1 230 . GLU . 51815 1 231 . LEU . 51815 1 232 . VAL . 51815 1 233 . GLU . 51815 1 234 . THR . 51815 1 235 . ARG . 51815 1 236 . PRO . 51815 1 237 . ALA . 51815 1 238 . GLY . 51815 1 239 . ASP . 51815 1 240 . ARG . 51815 1 241 . THR . 51815 1 242 . PHE . 51815 1 243 . GLN . 51815 1 244 . LYS . 51815 1 245 . TRP . 51815 1 246 . ALA . 51815 1 247 . ALA . 51815 1 248 . VAL . 51815 1 249 . VAL . 51815 1 250 . VAL . 51815 1 251 . PRO . 51815 1 252 . SER . 51815 1 253 . GLY . 51815 1 254 . GLU . 51815 1 255 . GLU . 51815 1 256 . GLN . 51815 1 257 . ARG . 51815 1 258 . TYR . 51815 1 259 . THR . 51815 1 260 . CYS . 51815 1 261 . HIS . 51815 1 262 . VAL . 51815 1 263 . GLN . 51815 1 264 . HIS . 51815 1 265 . GLU . 51815 1 266 . GLY . 51815 1 267 . LEU . 51815 1 268 . PRO . 51815 1 269 . LYS . 51815 1 270 . PRO . 51815 1 271 . LEU . 51815 1 272 . THR . 51815 1 273 . LEU . 51815 1 274 . ARG . 51815 1 275 . TRP . 51815 1 276 . GLU . 51815 1 277 . PRO . 51815 1 278 . SER . 51815 1 279 . SER . 51815 1 280 . GLN . 51815 1 281 . SER . 51815 1 282 . THR . 51815 1 283 . VAL . 51815 1 284 . PRO . 51815 1 285 . ILE . 51815 1 286 . VAL . 51815 1 287 . GLY . 51815 1 288 . THR . 51815 1 289 . GLY . 51815 1 290 . LEU . 51815 1 291 . ASN . 51815 1 292 . ASP . 51815 1 293 . ILE . 51815 1 294 . PHE . 51815 1 295 . GLU . 51815 1 296 . ALA . 51815 1 297 . GLN . 51815 1 298 . LYS . 51815 1 299 . ILE . 51815 1 300 . GLU . 51815 1 301 . TRP . 51815 1 302 . HIS . 51815 1 303 . GLU . 51815 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51815 1 . GLY 2 2 51815 1 . SER 3 3 51815 1 . HIS 4 4 51815 1 . SER 5 5 51815 1 . MET 6 6 51815 1 . ARG 7 7 51815 1 . TYR 8 8 51815 1 . PHE 9 9 51815 1 . TYR 10 10 51815 1 . THR 11 11 51815 1 . SER 12 12 51815 1 . VAL 13 13 51815 1 . SER 14 14 51815 1 . ARG 15 15 51815 1 . PRO 16 16 51815 1 . GLY 17 17 51815 1 . ARG 18 18 51815 1 . GLY 19 19 51815 1 . GLU 20 20 51815 1 . PRO 21 21 51815 1 . ARG 22 22 51815 1 . PHE 23 23 51815 1 . ILE 24 24 51815 1 . SER 25 25 51815 1 . VAL 26 26 51815 1 . GLY 27 27 51815 1 . TYR 28 28 51815 1 . VAL 29 29 51815 1 . ASP 30 30 51815 1 . ASP 31 31 51815 1 . THR 32 32 51815 1 . GLN 33 33 51815 1 . PHE 34 34 51815 1 . VAL 35 35 51815 1 . ARG 36 36 51815 1 . PHE 37 37 51815 1 . ASP 38 38 51815 1 . SER 39 39 51815 1 . ASP 40 40 51815 1 . ALA 41 41 51815 1 . ALA 42 42 51815 1 . SER 43 43 51815 1 . PRO 44 44 51815 1 . ARG 45 45 51815 1 . GLU 46 46 51815 1 . GLU 47 47 51815 1 . PRO 48 48 51815 1 . ARG 49 49 51815 1 . ALA 50 50 51815 1 . PRO 51 51 51815 1 . TRP 52 52 51815 1 . ILE 53 53 51815 1 . GLU 54 54 51815 1 . GLN 55 55 51815 1 . GLU 56 56 51815 1 . GLY 57 57 51815 1 . PRO 58 58 51815 1 . GLU 59 59 51815 1 . TYR 60 60 51815 1 . TRP 61 61 51815 1 . ASP 62 62 51815 1 . ARG 63 63 51815 1 . ASN 64 64 51815 1 . THR 65 65 51815 1 . GLN 66 66 51815 1 . ILE 67 67 51815 1 . TYR 68 68 51815 1 . LYS 69 69 51815 1 . ALA 70 70 51815 1 . GLN 71 71 51815 1 . ALA 72 72 51815 1 . GLN 73 73 51815 1 . THR 74 74 51815 1 . ASP 75 75 51815 1 . ARG 76 76 51815 1 . GLU 77 77 51815 1 . SER 78 78 51815 1 . LEU 79 79 51815 1 . ARG 80 80 51815 1 . ASN 81 81 51815 1 . LEU 82 82 51815 1 . ARG 83 83 51815 1 . GLY 84 84 51815 1 . TYR 85 85 51815 1 . TYR 86 86 51815 1 . ASN 87 87 51815 1 . GLN 88 88 51815 1 . SER 89 89 51815 1 . GLU 90 90 51815 1 . ALA 91 91 51815 1 . GLY 92 92 51815 1 . SER 93 93 51815 1 . HIS 94 94 51815 1 . THR 95 95 51815 1 . LEU 96 96 51815 1 . GLN 97 97 51815 1 . SER 98 98 51815 1 . MET 99 99 51815 1 . TYR 100 100 51815 1 . GLY 101 101 51815 1 . CYS 102 102 51815 1 . ASP 103 103 51815 1 . VAL 104 104 51815 1 . GLY 105 105 51815 1 . PRO 106 106 51815 1 . ASP 107 107 51815 1 . GLY 108 108 51815 1 . ARG 109 109 51815 1 . LEU 110 110 51815 1 . LEU 111 111 51815 1 . ARG 112 112 51815 1 . GLY 113 113 51815 1 . HIS 114 114 51815 1 . ASP 115 115 51815 1 . GLN 116 116 51815 1 . TYR 117 117 51815 1 . ALA 118 118 51815 1 . TYR 119 119 51815 1 . ASP 120 120 51815 1 . GLY 121 121 51815 1 . LYS 122 122 51815 1 . ASP 123 123 51815 1 . TYR 124 124 51815 1 . ILE 125 125 51815 1 . ALA 126 126 51815 1 . LEU 127 127 51815 1 . ASN 128 128 51815 1 . GLU 129 129 51815 1 . ASP 130 130 51815 1 . LEU 131 131 51815 1 . ARG 132 132 51815 1 . SER 133 133 51815 1 . TRP 134 134 51815 1 . THR 135 135 51815 1 . ALA 136 136 51815 1 . ALA 137 137 51815 1 . ASP 138 138 51815 1 . THR 139 139 51815 1 . ALA 140 140 51815 1 . ALA 141 141 51815 1 . GLN 142 142 51815 1 . ILE 143 143 51815 1 . THR 144 144 51815 1 . GLN 145 145 51815 1 . ARG 146 146 51815 1 . LYS 147 147 51815 1 . TRP 148 148 51815 1 . GLU 149 149 51815 1 . ALA 150 150 51815 1 . ALA 151 151 51815 1 . ARG 152 152 51815 1 . GLU 153 153 51815 1 . ALA 154 154 51815 1 . GLU 155 155 51815 1 . GLN 156 156 51815 1 . ARG 157 157 51815 1 . ARG 158 158 51815 1 . ALA 159 159 51815 1 . TYR 160 160 51815 1 . LEU 161 161 51815 1 . GLU 162 162 51815 1 . GLY 163 163 51815 1 . GLU 164 164 51815 1 . CYS 165 165 51815 1 . VAL 166 166 51815 1 . GLU 167 167 51815 1 . TRP 168 168 51815 1 . LEU 169 169 51815 1 . ARG 170 170 51815 1 . ARG 171 171 51815 1 . TYR 172 172 51815 1 . LEU 173 173 51815 1 . GLU 174 174 51815 1 . ASN 175 175 51815 1 . GLY 176 176 51815 1 . LYS 177 177 51815 1 . ASP 178 178 51815 1 . LYS 179 179 51815 1 . LEU 180 180 51815 1 . GLU 181 181 51815 1 . ARG 182 182 51815 1 . ALA 183 183 51815 1 . ASP 184 184 51815 1 . PRO 185 185 51815 1 . PRO 186 186 51815 1 . LYS 187 187 51815 1 . THR 188 188 51815 1 . HIS 189 189 51815 1 . VAL 190 190 51815 1 . THR 191 191 51815 1 . HIS 192 192 51815 1 . HIS 193 193 51815 1 . PRO 194 194 51815 1 . ILE 195 195 51815 1 . SER 196 196 51815 1 . ASP 197 197 51815 1 . HIS 198 198 51815 1 . GLU 199 199 51815 1 . ALA 200 200 51815 1 . THR 201 201 51815 1 . LEU 202 202 51815 1 . ARG 203 203 51815 1 . CYS 204 204 51815 1 . TRP 205 205 51815 1 . ALA 206 206 51815 1 . LEU 207 207 51815 1 . GLY 208 208 51815 1 . PHE 209 209 51815 1 . TYR 210 210 51815 1 . PRO 211 211 51815 1 . ALA 212 212 51815 1 . GLU 213 213 51815 1 . ILE 214 214 51815 1 . THR 215 215 51815 1 . LEU 216 216 51815 1 . THR 217 217 51815 1 . TRP 218 218 51815 1 . GLN 219 219 51815 1 . ARG 220 220 51815 1 . ASP 221 221 51815 1 . GLY 222 222 51815 1 . GLU 223 223 51815 1 . ASP 224 224 51815 1 . GLN 225 225 51815 1 . THR 226 226 51815 1 . GLN 227 227 51815 1 . ASP 228 228 51815 1 . THR 229 229 51815 1 . GLU 230 230 51815 1 . LEU 231 231 51815 1 . VAL 232 232 51815 1 . GLU 233 233 51815 1 . THR 234 234 51815 1 . ARG 235 235 51815 1 . PRO 236 236 51815 1 . ALA 237 237 51815 1 . GLY 238 238 51815 1 . ASP 239 239 51815 1 . ARG 240 240 51815 1 . THR 241 241 51815 1 . PHE 242 242 51815 1 . GLN 243 243 51815 1 . LYS 244 244 51815 1 . TRP 245 245 51815 1 . ALA 246 246 51815 1 . ALA 247 247 51815 1 . VAL 248 248 51815 1 . VAL 249 249 51815 1 . VAL 250 250 51815 1 . PRO 251 251 51815 1 . SER 252 252 51815 1 . GLY 253 253 51815 1 . GLU 254 254 51815 1 . GLU 255 255 51815 1 . GLN 256 256 51815 1 . ARG 257 257 51815 1 . TYR 258 258 51815 1 . THR 259 259 51815 1 . CYS 260 260 51815 1 . HIS 261 261 51815 1 . VAL 262 262 51815 1 . GLN 263 263 51815 1 . HIS 264 264 51815 1 . GLU 265 265 51815 1 . GLY 266 266 51815 1 . LEU 267 267 51815 1 . PRO 268 268 51815 1 . LYS 269 269 51815 1 . PRO 270 270 51815 1 . LEU 271 271 51815 1 . THR 272 272 51815 1 . LEU 273 273 51815 1 . ARG 274 274 51815 1 . TRP 275 275 51815 1 . GLU 276 276 51815 1 . PRO 277 277 51815 1 . SER 278 278 51815 1 . SER 279 279 51815 1 . GLN 280 280 51815 1 . SER 281 281 51815 1 . THR 282 282 51815 1 . VAL 283 283 51815 1 . PRO 284 284 51815 1 . ILE 285 285 51815 1 . VAL 286 286 51815 1 . GLY 287 287 51815 1 . THR 288 288 51815 1 . GLY 289 289 51815 1 . LEU 290 290 51815 1 . ASN 291 291 51815 1 . ASP 292 292 51815 1 . ILE 293 293 51815 1 . PHE 294 294 51815 1 . GLU 295 295 51815 1 . ALA 296 296 51815 1 . GLN 297 297 51815 1 . LYS 298 298 51815 1 . ILE 299 299 51815 1 . GLU 300 300 51815 1 . TRP 301 301 51815 1 . HIS 302 302 51815 1 . GLU 303 303 51815 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51815 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; EPRXPSHSM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 'X = phosphoserine' _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 . GLU . 51815 2 2 . PRO . 51815 2 3 . ARG . 51815 2 4 . SEP . 51815 2 5 . PRO . 51815 2 6 . SER . 51815 2 7 . HIS . 51815 2 8 . SER . 51815 2 9 . MET . 51815 2 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 . GLU 1 1 51815 2 . PRO 2 2 51815 2 . ARG 3 3 51815 2 . SEP 4 4 51815 2 . PRO 5 5 51815 2 . SER 6 6 51815 2 . HIS 7 7 51815 2 . SER 8 8 51815 2 . MET 9 9 51815 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51815 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . MET . 51815 3 2 . ILE . 51815 3 3 . GLN . 51815 3 4 . ARG . 51815 3 5 . THR . 51815 3 6 . PRO . 51815 3 7 . LYS . 51815 3 8 . ILE . 51815 3 9 . GLN . 51815 3 10 . VAL . 51815 3 11 . TYR . 51815 3 12 . SER . 51815 3 13 . ARG . 51815 3 14 . HIS . 51815 3 15 . PRO . 51815 3 16 . ALA . 51815 3 17 . GLU . 51815 3 18 . ASN . 51815 3 19 . GLY . 51815 3 20 . LYS . 51815 3 21 . SER . 51815 3 22 . ASN . 51815 3 23 . PHE . 51815 3 24 . LEU . 51815 3 25 . ASN . 51815 3 26 . CYS . 51815 3 27 . TYR . 51815 3 28 . VAL . 51815 3 29 . SER . 51815 3 30 . GLY . 51815 3 31 . PHE . 51815 3 32 . HIS . 51815 3 33 . PRO . 51815 3 34 . SER . 51815 3 35 . ASP . 51815 3 36 . ILE . 51815 3 37 . GLU . 51815 3 38 . VAL . 51815 3 39 . ASP . 51815 3 40 . LEU . 51815 3 41 . LEU . 51815 3 42 . LYS . 51815 3 43 . ASN . 51815 3 44 . GLY . 51815 3 45 . GLU . 51815 3 46 . ARG . 51815 3 47 . ILE . 51815 3 48 . GLU . 51815 3 49 . LYS . 51815 3 50 . VAL . 51815 3 51 . GLU . 51815 3 52 . HIS . 51815 3 53 . SER . 51815 3 54 . ASP . 51815 3 55 . LEU . 51815 3 56 . SER . 51815 3 57 . PHE . 51815 3 58 . SER . 51815 3 59 . LYS . 51815 3 60 . ASP . 51815 3 61 . TRP . 51815 3 62 . SER . 51815 3 63 . PHE . 51815 3 64 . TYR . 51815 3 65 . LEU . 51815 3 66 . LEU . 51815 3 67 . TYR . 51815 3 68 . TYR . 51815 3 69 . THR . 51815 3 70 . GLU . 51815 3 71 . PHE . 51815 3 72 . THR . 51815 3 73 . PRO . 51815 3 74 . THR . 51815 3 75 . GLU . 51815 3 76 . LYS . 51815 3 77 . ASP . 51815 3 78 . GLU . 51815 3 79 . TYR . 51815 3 80 . ALA . 51815 3 81 . CYS . 51815 3 82 . ARG . 51815 3 83 . VAL . 51815 3 84 . ASN . 51815 3 85 . HIS . 51815 3 86 . VAL . 51815 3 87 . THR . 51815 3 88 . LEU . 51815 3 89 . SER . 51815 3 90 . GLN . 51815 3 91 . PRO . 51815 3 92 . LYS . 51815 3 93 . ILE . 51815 3 94 . VAL . 51815 3 95 . LYS . 51815 3 96 . TRP . 51815 3 97 . ASP . 51815 3 98 . ARG . 51815 3 99 . ASP . 51815 3 100 . MET . 51815 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51815 3 . ILE 2 2 51815 3 . GLN 3 3 51815 3 . ARG 4 4 51815 3 . THR 5 5 51815 3 . PRO 6 6 51815 3 . LYS 7 7 51815 3 . ILE 8 8 51815 3 . GLN 9 9 51815 3 . VAL 10 10 51815 3 . TYR 11 11 51815 3 . SER 12 12 51815 3 . ARG 13 13 51815 3 . HIS 14 14 51815 3 . PRO 15 15 51815 3 . ALA 16 16 51815 3 . GLU 17 17 51815 3 . ASN 18 18 51815 3 . GLY 19 19 51815 3 . LYS 20 20 51815 3 . SER 21 21 51815 3 . ASN 22 22 51815 3 . PHE 23 23 51815 3 . LEU 24 24 51815 3 . ASN 25 25 51815 3 . CYS 26 26 51815 3 . TYR 27 27 51815 3 . VAL 28 28 51815 3 . SER 29 29 51815 3 . GLY 30 30 51815 3 . PHE 31 31 51815 3 . HIS 32 32 51815 3 . PRO 33 33 51815 3 . SER 34 34 51815 3 . ASP 35 35 51815 3 . ILE 36 36 51815 3 . GLU 37 37 51815 3 . VAL 38 38 51815 3 . ASP 39 39 51815 3 . LEU 40 40 51815 3 . LEU 41 41 51815 3 . LYS 42 42 51815 3 . ASN 43 43 51815 3 . GLY 44 44 51815 3 . GLU 45 45 51815 3 . ARG 46 46 51815 3 . ILE 47 47 51815 3 . GLU 48 48 51815 3 . LYS 49 49 51815 3 . VAL 50 50 51815 3 . GLU 51 51 51815 3 . HIS 52 52 51815 3 . SER 53 53 51815 3 . ASP 54 54 51815 3 . LEU 55 55 51815 3 . SER 56 56 51815 3 . PHE 57 57 51815 3 . SER 58 58 51815 3 . LYS 59 59 51815 3 . ASP 60 60 51815 3 . TRP 61 61 51815 3 . SER 62 62 51815 3 . PHE 63 63 51815 3 . TYR 64 64 51815 3 . LEU 65 65 51815 3 . LEU 66 66 51815 3 . TYR 67 67 51815 3 . TYR 68 68 51815 3 . THR 69 69 51815 3 . GLU 70 70 51815 3 . PHE 71 71 51815 3 . THR 72 72 51815 3 . PRO 73 73 51815 3 . THR 74 74 51815 3 . GLU 75 75 51815 3 . LYS 76 76 51815 3 . ASP 77 77 51815 3 . GLU 78 78 51815 3 . TYR 79 79 51815 3 . ALA 80 80 51815 3 . CYS 81 81 51815 3 . ARG 82 82 51815 3 . VAL 83 83 51815 3 . ASN 84 84 51815 3 . HIS 85 85 51815 3 . VAL 86 86 51815 3 . THR 87 87 51815 3 . LEU 88 88 51815 3 . SER 89 89 51815 3 . GLN 90 90 51815 3 . PRO 91 91 51815 3 . LYS 92 92 51815 3 . ILE 93 93 51815 3 . VAL 94 94 51815 3 . LYS 95 95 51815 3 . TRP 96 96 51815 3 . ASP 97 97 51815 3 . ARG 98 98 51815 3 . ASP 99 99 51815 3 . MET 100 100 51815 3 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 51815 _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 . . . . . . . . . . . . . 51815 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51815 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51815 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 51815 _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 . . pET-30a . . . 51815 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-30a . . . 51815 1 3 3 $entity_3 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . . 51815 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 51815 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 51815 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 51815 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51815 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 51815 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 51815 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 51815 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 51815 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51815 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 51815 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 51815 SEP CA CA CA CA . C . . S 0 . . . 1 N N . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 51815 SEP CB CB CB CB . C . . N 0 . . . 1 N N . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 51815 SEP OG OG OG OG . O . . N 0 . . . 1 N N . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 51815 SEP C C C C . C . . N 0 . . . 1 N N . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 51815 SEP O O O O . O . . N 0 . . . 1 N N . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 51815 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 51815 SEP P P P P . P . . N 0 . . . 1 N N . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 51815 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 51815 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 51815 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 51815 SEP H H H H . H . . N 0 . . . 1 N N . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 51815 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 51815 SEP HA HA HA HA . H . . N 0 . . . 1 N N . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 51815 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 51815 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 51815 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 51815 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 51815 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 51815 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 51815 SEP 2 . SING N H N N 2 . 51815 SEP 3 . SING N H2 N N 3 . 51815 SEP 4 . SING CA CB N N 4 . 51815 SEP 5 . SING CA C N N 5 . 51815 SEP 6 . SING CA HA N N 6 . 51815 SEP 7 . SING CB OG N N 7 . 51815 SEP 8 . SING CB HB2 N N 8 . 51815 SEP 9 . SING CB HB3 N N 9 . 51815 SEP 10 . SING OG P N N 10 . 51815 SEP 11 . DOUB C O N N 11 . 51815 SEP 12 . SING C OXT N N 12 . 51815 SEP 13 . SING OXT HXT N N 13 . 51815 SEP 14 . DOUB P O1P N N 14 . 51815 SEP 15 . SING P O2P N N 15 . 51815 SEP 16 . SING P O3P N N 16 . 51815 SEP 17 . SING O2P HOP2 N N 17 . 51815 SEP 18 . SING O3P HOP3 N N 18 . 51815 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51815 _Sample.ID 1 _Sample.Name HLA-B*0702/pMLL _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer - 25mM MES, 150mM NaCl, pH 6.5' _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 HLA-B*0702 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 200 . . uM . . . . 51815 1 2 'pMLL peptide' 'natural abundance' . . 2 $entity_2 . . 200 . . uM . . . . 51815 1 3 beta-2M 'natural abundance' . . 3 $entity_3 . . 200 . . uM . . . . 51815 1 4 MES 'natural abundance' . . . . . . 25 . . mM . . . . 51815 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51815 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 51815 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _Sample_condition_list.Details '25mM MES, 150mM NaCl, pH 6.5' 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' 150 . mM 51815 1 pH 6.5 . pH 51815 1 pressure 1 . atm 51815 1 temperature 303.15 . K 51815 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51815 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51815 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51815 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51815 2 'data analysis' . 51815 2 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 51815 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 NYSBC' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51815 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 NYU' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51815 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51815 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51815 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51815 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51815 1 5 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51815 1 6 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51815 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51815 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 51815 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51815 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51815 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51815 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 51815 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'B7/pMLL chemical shifts' _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' . . . 51815 1 2 '3D HNCO' . . . 51815 1 3 '3D HN(CA)CO' . . . 51815 1 4 '3D HNCACB' . . . 51815 1 5 '3D HN(CO)CACB' . . . 51815 1 6 '3D HNCA' . . . 51815 1 7 '3D HN(CO)CA' . . . 51815 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 . . 51815 1 2 $software_2 . . 51815 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 SER C C 13 173.2913 0.0000 . 1 . . 60451 . . 3 SER C . 51815 1 2 . 1 . 1 3 3 SER CA C 13 57.7389 0.0000 . 1 . . 56152 . . 3 SER CA . 51815 1 3 . 1 . 1 3 3 SER CB C 13 63.3227 0.0000 . 1 . . 55246 . . 3 SER CB . 51815 1 4 . 1 . 1 4 4 HIS H H 1 8.4604 0.0000 . 1 . . 58904 . . 4 HIS H . 51815 1 5 . 1 . 1 4 4 HIS C C 13 173.4273 0.0000 . 1 . . 51865 . . 4 HIS C . 51815 1 6 . 1 . 1 4 4 HIS CA C 13 54.7327 0.0000 . 1 . . 58837 . . 4 HIS CA . 51815 1 7 . 1 . 1 4 4 HIS N N 15 116.7437 0.0000 . 1 . . 58905 . . 4 HIS N . 51815 1 8 . 1 . 1 5 5 SER H H 1 9.3600 0.0000 . 1 . . 58775 . . 5 SER H . 51815 1 9 . 1 . 1 5 5 SER C C 13 172.7297 0.0000 . 1 . . 51868 . . 5 SER C . 51815 1 10 . 1 . 1 5 5 SER CA C 13 56.7736 0.0000 . 1 . . 52984 . . 5 SER CA . 51815 1 11 . 1 . 1 5 5 SER N N 15 116.1230 0.0000 . 1 . . 58776 . . 5 SER N . 51815 1 12 . 1 . 1 6 6 MET H H 1 8.9396 0.0000 . 1 . . 57353 . . 6 MET H . 51815 1 13 . 1 . 1 6 6 MET C C 13 176.0239 0.0000 . 1 . . 51139 . . 6 MET C . 51815 1 14 . 1 . 1 6 6 MET CA C 13 54.4948 0.0000 . 1 . . 52477 . . 6 MET CA . 51815 1 15 . 1 . 1 6 6 MET CB C 13 37.7964 0.0000 . 1 . . 57355 . . 6 MET CB . 51815 1 16 . 1 . 1 6 6 MET N N 15 123.3610 0.0000 . 1 . . 57354 . . 6 MET N . 51815 1 17 . 1 . 1 7 7 ARG H H 1 9.1820 0.0000 . 1 . . 80207 . . 7 ARG H . 51815 1 18 . 1 . 1 7 7 ARG C C 13 173.3009 0.0000 . 1 . . 126304 . . 7 ARG C . 51815 1 19 . 1 . 1 7 7 ARG CA C 13 53.1504 0.0000 . 1 . . 80212 . . 7 ARG CA . 51815 1 20 . 1 . 1 7 7 ARG N N 15 127.9109 0.0000 . 1 . . 80208 . . 7 ARG N . 51815 1 21 . 1 . 1 8 8 TYR H H 1 8.1373 0.0000 . 1 . . 57971 . . 8 TYR H . 51815 1 22 . 1 . 1 8 8 TYR C C 13 174.0902 0.0000 . 1 . . 124798 . . 8 TYR C . 51815 1 23 . 1 . 1 8 8 TYR CA C 13 57.6862 0.0000 . 1 . . 124794 . . 8 TYR CA . 51815 1 24 . 1 . 1 8 8 TYR N N 15 120.5031 0.0000 . 1 . . 57972 . . 8 TYR N . 51815 1 25 . 1 . 1 9 9 PHE H H 1 8.4619 0.0000 . 1 . . 58883 . . 9 PHE H . 51815 1 26 . 1 . 1 9 9 PHE C C 13 176.0042 0.0000 . 1 . . 129937 . . 9 PHE C . 51815 1 27 . 1 . 1 9 9 PHE CA C 13 55.2519 0.0000 . 1 . . 129924 . . 9 PHE CA . 51815 1 28 . 1 . 1 9 9 PHE N N 15 120.3569 0.0000 . 1 . . 58884 . . 9 PHE N . 51815 1 29 . 1 . 1 10 10 TYR H H 1 9.9979 0.0000 . 1 . . 52517 . . 10 TYR H . 51815 1 30 . 1 . 1 10 10 TYR C C 13 176.6757 0.0000 . 1 . . 51124 . . 10 TYR C . 51815 1 31 . 1 . 1 10 10 TYR CA C 13 51.8994 0.0000 . 1 . . 52516 . . 10 TYR CA . 51815 1 32 . 1 . 1 10 10 TYR CB C 13 39.5545 0.0000 . 1 . . 57346 . . 10 TYR CB . 51815 1 33 . 1 . 1 10 10 TYR N N 15 123.5569 0.0000 . 1 . . 52518 . . 10 TYR N . 51815 1 34 . 1 . 1 11 11 THR H H 1 9.2573 0.0000 . 1 . . 56099 . . 11 THR H . 51815 1 35 . 1 . 1 11 11 THR C C 13 173.9619 0.0000 . 1 . . 51643 . . 11 THR C . 51815 1 36 . 1 . 1 11 11 THR CA C 13 63.5166 0.0000 . 1 . . 58288 . . 11 THR CA . 51815 1 37 . 1 . 1 11 11 THR CB C 13 70.3002 0.0000 . 1 . . 58270 . . 11 THR CB . 51815 1 38 . 1 . 1 11 11 THR N N 15 119.3565 0.0000 . 1 . . 56100 . . 11 THR N . 51815 1 39 . 1 . 1 12 12 SER H H 1 9.2919 0.0000 . 1 . . 100560 . . 12 SER H . 51815 1 40 . 1 . 1 12 12 SER C C 13 174.0894 0.0000 . 1 . . 100571 . . 12 SER C . 51815 1 41 . 1 . 1 12 12 SER CA C 13 57.7393 0.0000 . 1 . . 100562 . . 12 SER CA . 51815 1 42 . 1 . 1 12 12 SER CB C 13 65.3258 0.0000 . 1 . . 100565 . . 12 SER CB . 51815 1 43 . 1 . 1 12 12 SER N N 15 123.6931 0.0000 . 1 . . 100561 . . 12 SER N . 51815 1 44 . 1 . 1 13 13 VAL H H 1 8.6690 0.0000 . 1 . . 57476 . . 13 VAL H . 51815 1 45 . 1 . 1 13 13 VAL C C 13 176.6974 0.0000 . 1 . . 51238 . . 13 VAL C . 51815 1 46 . 1 . 1 13 13 VAL CA C 13 59.6084 0.0000 . 1 . . 57142 . . 13 VAL CA . 51815 1 47 . 1 . 1 13 13 VAL CB C 13 34.4819 0.0000 . 1 . . 57421 . . 13 VAL CB . 51815 1 48 . 1 . 1 13 13 VAL N N 15 123.0954 0.0000 . 1 . . 57477 . . 13 VAL N . 51815 1 49 . 1 . 1 14 14 SER H H 1 9.2658 0.0000 . 1 . . 57671 . . 14 SER H . 51815 1 50 . 1 . 1 14 14 SER C C 13 173.3146 0.0000 . 1 . . 51445 . . 14 SER C . 51815 1 51 . 1 . 1 14 14 SER CA C 13 56.8121 0.0000 . 1 . . 52606 . . 14 SER CA . 51815 1 52 . 1 . 1 14 14 SER CB C 13 64.5310 0.0000 . 1 . . 57604 . . 14 SER CB . 51815 1 53 . 1 . 1 14 14 SER N N 15 121.8689 0.0000 . 1 . . 57672 . . 14 SER N . 51815 1 54 . 1 . 1 15 15 ARG H H 1 9.4145 0.0000 . 1 . . 57599 . . 15 ARG H . 51815 1 55 . 1 . 1 15 15 ARG C C 13 172.4059 0.0000 . 1 . . 51568 . . 15 ARG C . 51815 1 56 . 1 . 1 15 15 ARG CA C 13 52.7144 0.0000 . 1 . . 57793 . . 15 ARG CA . 51815 1 57 . 1 . 1 15 15 ARG N N 15 120.6537 0.0000 . 1 . . 57600 . . 15 ARG N . 51815 1 58 . 1 . 1 17 17 GLY C C 13 174.6239 0.0000 . 1 . . 90802 . . 17 GLY C . 51815 1 59 . 1 . 1 17 17 GLY CA C 13 45.1498 0.0000 . 1 . . 90790 . . 17 GLY CA . 51815 1 60 . 1 . 1 18 18 ARG H H 1 8.3227 0.0000 . 1 . . 90779 . . 18 ARG H . 51815 1 61 . 1 . 1 18 18 ARG C C 13 175.8515 0.0000 . 1 . . 90799 . . 18 ARG C . 51815 1 62 . 1 . 1 18 18 ARG CA C 13 54.8427 0.0000 . 1 . . 90784 . . 18 ARG CA . 51815 1 63 . 1 . 1 18 18 ARG CB C 13 30.1766 0.0000 . 1 . . 90793 . . 18 ARG CB . 51815 1 64 . 1 . 1 18 18 ARG N N 15 120.5069 0.0000 . 1 . . 90780 . . 18 ARG N . 51815 1 65 . 1 . 1 19 19 GLY H H 1 7.9554 0.0000 . 1 . . 59429 . . 19 GLY H . 51815 1 66 . 1 . 1 19 19 GLY C C 13 173.7070 0.0000 . 1 . . 52042 . . 19 GLY C . 51815 1 67 . 1 . 1 19 19 GLY CA C 13 44.4427 0.0000 . 1 . . 53242 . . 19 GLY CA . 51815 1 68 . 1 . 1 19 19 GLY N N 15 107.9895 0.0000 . 1 . . 59430 . . 19 GLY N . 51815 1 69 . 1 . 1 20 20 GLU H H 1 8.3756 0.0000 . 1 . . 57836 . . 20 GLU H . 51815 1 70 . 1 . 1 20 20 GLU C C 13 174.4262 0.0000 . 1 . . 51553 . . 20 GLU C . 51815 1 71 . 1 . 1 20 20 GLU CA C 13 54.2117 0.0000 . 1 . . 57838 . . 20 GLU CA . 51815 1 72 . 1 . 1 20 20 GLU CB C 13 27.9016 0.0000 . 1 . . 58162 . . 20 GLU CB . 51815 1 73 . 1 . 1 20 20 GLU N N 15 121.2584 0.0000 . 1 . . 57837 . . 20 GLU N . 51815 1 74 . 1 . 1 21 21 PRO C C 13 175.9684 0.0000 . 1 . . 59938 . . 21 PRO C . 51815 1 75 . 1 . 1 21 21 PRO CA C 13 63.4249 0.0000 . 1 . . 52216 . . 21 PRO CA . 51815 1 76 . 1 . 1 21 21 PRO CB C 13 30.0732 0.0000 . 1 . . 56941 . . 21 PRO CB . 51815 1 77 . 1 . 1 22 22 ARG H H 1 8.3207 0.0000 . 1 . . 56801 . . 22 ARG H . 51815 1 78 . 1 . 1 22 22 ARG C C 13 174.1929 0.0000 . 1 . . 51007 . . 22 ARG C . 51815 1 79 . 1 . 1 22 22 ARG CA C 13 55.4378 0.0000 . 1 . . 52273 . . 22 ARG CA . 51815 1 80 . 1 . 1 22 22 ARG CB C 13 31.5323 0.0000 . 1 . . 56938 . . 22 ARG CB . 51815 1 81 . 1 . 1 22 22 ARG N N 15 126.2682 0.0000 . 1 . . 56802 . . 22 ARG N . 51815 1 82 . 1 . 1 23 23 PHE H H 1 9.1879 0.0000 . 1 . . 52085 . . 23 PHE H . 51815 1 83 . 1 . 1 23 23 PHE C C 13 173.0040 0.0000 . 1 . . 50845 . . 23 PHE C . 51815 1 84 . 1 . 1 23 23 PHE CA C 13 56.8895 0.0000 . 1 . . 52078 . . 23 PHE CA . 51815 1 85 . 1 . 1 23 23 PHE CB C 13 42.4205 0.0000 . 1 . . 56401 . . 23 PHE CB . 51815 1 86 . 1 . 1 23 23 PHE N N 15 130.6216 0.0000 . 1 . . 52086 . . 23 PHE N . 51815 1 87 . 1 . 1 24 24 ILE H H 1 8.5466 0.0000 . 1 . . 52121 . . 24 ILE H . 51815 1 88 . 1 . 1 24 24 ILE C C 13 174.2335 0.0000 . 1 . . 50902 . . 24 ILE C . 51815 1 89 . 1 . 1 24 24 ILE CA C 13 58.4209 0.0000 . 1 . . 56443 . . 24 ILE CA . 51815 1 90 . 1 . 1 24 24 ILE CB C 13 41.5868 0.0000 . 1 . . 56569 . . 24 ILE CB . 51815 1 91 . 1 . 1 24 24 ILE N N 15 127.5988 0.0000 . 1 . . 52122 . . 24 ILE N . 51815 1 92 . 1 . 1 25 25 SER H H 1 9.0274 0.0000 . 1 . . 58502 . . 25 SER H . 51815 1 93 . 1 . 1 25 25 SER C C 13 174.5849 0.0000 . 1 . . 51736 . . 25 SER C . 51815 1 94 . 1 . 1 25 25 SER CA C 13 54.7643 0.0000 . 1 . . 58369 . . 25 SER CA . 51815 1 95 . 1 . 1 25 25 SER CB C 13 65.5289 0.0000 . 1 . . 58276 . . 25 SER CB . 51815 1 96 . 1 . 1 25 25 SER N N 15 118.7689 0.0000 . 1 . . 58503 . . 25 SER N . 51815 1 97 . 1 . 1 26 26 VAL H H 1 8.7480 0.0000 . 1 . . 52781 . . 26 VAL H . 51815 1 98 . 1 . 1 26 26 VAL C C 13 174.1058 0.0000 . 1 . . 51739 . . 26 VAL C . 51815 1 99 . 1 . 1 26 26 VAL CA C 13 59.8395 0.0000 . 1 . . 58321 . . 26 VAL CA . 51815 1 100 . 1 . 1 26 26 VAL CB C 13 35.4366 0.0000 . 1 . . 58561 . . 26 VAL CB . 51815 1 101 . 1 . 1 26 26 VAL N N 15 118.5658 0.0000 . 1 . . 52782 . . 26 VAL N . 51815 1 102 . 1 . 1 27 27 GLY H H 1 7.2032 0.0000 . 1 . . 55565 . . 27 GLY H . 51815 1 103 . 1 . 1 27 27 GLY C C 13 172.6684 0.0000 . 1 . . 52045 . . 27 GLY C . 51815 1 104 . 1 . 1 27 27 GLY CA C 13 43.8471 0.0000 . 1 . . 59440 . . 27 GLY CA . 51815 1 105 . 1 . 1 27 27 GLY N N 15 107.9382 0.0000 . 1 . . 55566 . . 27 GLY N . 51815 1 106 . 1 . 1 28 28 TYR H H 1 9.6362 0.0000 . 1 . . 56858 . . 28 TYR H . 51815 1 107 . 1 . 1 28 28 TYR CA C 13 57.2593 0.0000 . 1 . . 52249 . . 28 TYR CA . 51815 1 108 . 1 . 1 28 28 TYR CB C 13 43.0887 0.0000 . 1 . . 56860 . . 28 TYR CB . 51815 1 109 . 1 . 1 28 28 TYR N N 15 125.2723 0.0000 . 1 . . 56859 . . 28 TYR N . 51815 1 110 . 1 . 1 29 29 VAL H H 1 8.9309 0.0000 . 1 . . 118036 . . 29 VAL H . 51815 1 111 . 1 . 1 29 29 VAL C C 13 175.9546 0.0000 . 1 . . 118056 . . 29 VAL C . 51815 1 112 . 1 . 1 29 29 VAL CA C 13 62.3567 0.0000 . 1 . . 118044 . . 29 VAL CA . 51815 1 113 . 1 . 1 29 29 VAL CB C 13 32.0977 0.0000 . 1 . . 118053 . . 29 VAL CB . 51815 1 114 . 1 . 1 29 29 VAL N N 15 121.9392 0.0000 . 1 . . 118037 . . 29 VAL N . 51815 1 115 . 1 . 1 30 30 ASP H H 1 9.5754 0.0000 . 1 . . 56474 . . 30 ASP H . 51815 1 116 . 1 . 1 30 30 ASP C C 13 175.5135 0.0000 . 1 . . 50953 . . 30 ASP C . 51815 1 117 . 1 . 1 30 30 ASP CA C 13 55.7040 0.0000 . 1 . . 52141 . . 30 ASP CA . 51815 1 118 . 1 . 1 30 30 ASP CB C 13 37.1523 0.0000 . 1 . . 56581 . . 30 ASP CB . 51815 1 119 . 1 . 1 30 30 ASP N N 15 127.0225 0.0000 . 1 . . 56475 . . 30 ASP N . 51815 1 120 . 1 . 1 31 31 ASP H H 1 6.8259 0.0000 . 1 . . 85809 . . 31 ASP H . 51815 1 121 . 1 . 1 31 31 ASP CA C 13 54.5784 0.0000 . 1 . . 85814 . . 31 ASP CA . 51815 1 122 . 1 . 1 31 31 ASP CB C 13 42.7399 0.0000 . 1 . . 85817 . . 31 ASP CB . 51815 1 123 . 1 . 1 31 31 ASP N N 15 119.8334 0.0000 . 1 . . 85810 . . 31 ASP N . 51815 1 124 . 1 . 1 32 32 THR C C 13 175.0896 0.0000 . 1 . . 60331 . . 32 THR C . 51815 1 125 . 1 . 1 32 32 THR CA C 13 60.4158 0.0000 . 1 . . 56023 . . 32 THR CA . 51815 1 126 . 1 . 1 32 32 THR CB C 13 71.3708 0.0000 . 1 . . 97021 . . 32 THR CB . 51815 1 127 . 1 . 1 33 33 GLN H H 1 6.5708 0.0000 . 1 . . 58316 . . 33 GLN H . 51815 1 128 . 1 . 1 33 33 GLN C C 13 180.8074 0.0000 . 1 . . 51664 . . 33 GLN C . 51815 1 129 . 1 . 1 33 33 GLN CA C 13 57.1397 0.0000 . 1 . . 58318 . . 33 GLN CA . 51815 1 130 . 1 . 1 33 33 GLN N N 15 118.3421 0.0000 . 1 . . 58317 . . 33 GLN N . 51815 1 131 . 1 . 1 34 34 PHE H H 1 8.7785 0.0000 . 1 . . 53192 . . 34 PHE H . 51815 1 132 . 1 . 1 34 34 PHE C C 13 175.6255 0.0000 . 1 . . . . . 34 PHE C . 51815 1 133 . 1 . 1 34 34 PHE CA C 13 52.8787 0.0000 . 1 . . 59347 . . 34 PHE CA . 51815 1 134 . 1 . 1 34 34 PHE CB C 13 45.1084 0.0000 . 1 . . . . . 34 PHE CB . 51815 1 135 . 1 . 1 34 34 PHE N N 15 120.3535 0.0000 . 1 . . 53193 . . 34 PHE N . 51815 1 136 . 1 . 1 35 35 VAL C C 13 176.9918 0.0000 . 1 . . 78676 . . 35 VAL C . 51815 1 137 . 1 . 1 35 35 VAL CA C 13 60.2139 0.0000 . 1 . . 78661 . . 35 VAL CA . 51815 1 138 . 1 . 1 36 36 ARG H H 1 8.3067 0.0000 . 1 . . 78659 . . 36 ARG H . 51815 1 139 . 1 . 1 36 36 ARG C C 13 173.3303 0.0000 . 1 . . 78673 . . 36 ARG C . 51815 1 140 . 1 . 1 36 36 ARG CA C 13 54.1945 0.0000 . 1 . . 78664 . . 36 ARG CA . 51815 1 141 . 1 . 1 36 36 ARG N N 15 117.8827 0.0000 . 1 . . 78660 . . 36 ARG N . 51815 1 142 . 1 . 1 37 37 PHE H H 1 9.0532 0.0000 . 1 . . 57935 . . 37 PHE H . 51815 1 143 . 1 . 1 37 37 PHE C C 13 172.3510 0.0000 . 1 . . 51451 . . 37 PHE C . 51815 1 144 . 1 . 1 37 37 PHE CA C 13 57.8833 0.0000 . 1 . . 52612 . . 37 PHE CA . 51815 1 145 . 1 . 1 37 37 PHE CB C 13 42.8977 0.0000 . 1 . . 57937 . . 37 PHE CB . 51815 1 146 . 1 . 1 37 37 PHE N N 15 121.2964 0.0000 . 1 . . 57936 . . 37 PHE N . 51815 1 147 . 1 . 1 38 38 ASP H H 1 7.6837 0.0000 . 1 . . 123445 . . 38 ASP H . 51815 1 148 . 1 . 1 38 38 ASP C C 13 176.2224 0.0000 . 1 . . 59776 . . 38 ASP C . 51815 1 149 . 1 . 1 38 38 ASP CA C 13 51.7309 0.0000 . 1 . . 52522 . . 38 ASP CA . 51815 1 150 . 1 . 1 38 38 ASP CB C 13 42.4117 0.0000 . 1 . . 74660 . . 38 ASP CB . 51815 1 151 . 1 . 1 38 38 ASP N N 15 127.7320 0.0000 . 1 . . 123446 . . 38 ASP N . 51815 1 152 . 1 . 1 39 39 SER H H 1 9.4977 0.0000 . 1 . . 57059 . . 39 SER H . 51815 1 153 . 1 . 1 39 39 SER CA C 13 61.0588 0.0000 . 1 . . 52363 . . 39 SER CA . 51815 1 154 . 1 . 1 39 39 SER CB C 13 62.1465 0.0000 . 1 . . 57058 . . 39 SER CB . 51815 1 155 . 1 . 1 39 39 SER N N 15 122.8154 0.0000 . 1 . . 57060 . . 39 SER N . 51815 1 156 . 1 . 1 40 40 ASP H H 1 8.4302 0.0000 . 1 . . 57152 . . 40 ASP H . 51815 1 157 . 1 . 1 40 40 ASP C C 13 176.7103 0.0000 . 1 . . 75876 . . 40 ASP C . 51815 1 158 . 1 . 1 40 40 ASP CA C 13 53.6539 0.0000 . 1 . . 75861 . . 40 ASP CA . 51815 1 159 . 1 . 1 40 40 ASP CB C 13 39.7977 0.0000 . 1 . . 75867 . . 40 ASP CB . 51815 1 160 . 1 . 1 40 40 ASP N N 15 122.7353 0.0000 . 1 . . 57153 . . 40 ASP N . 51815 1 161 . 1 . 1 41 41 ALA H H 1 7.4088 0.0000 . 1 . . 75856 . . 41 ALA H . 51815 1 162 . 1 . 1 41 41 ALA C C 13 176.4774 0.0000 . 1 . . 75873 . . 41 ALA C . 51815 1 163 . 1 . 1 41 41 ALA CA C 13 51.4721 0.0000 . 1 . . 75858 . . 41 ALA CA . 51815 1 164 . 1 . 1 41 41 ALA CB C 13 18.9151 0.0000 . 1 . . 75870 . . 41 ALA CB . 51815 1 165 . 1 . 1 41 41 ALA N N 15 124.1195 0.0000 . 1 . . 75857 . . 41 ALA N . 51815 1 166 . 1 . 1 42 42 ALA H H 1 8.2657 0.0000 . 1 . . 74888 . . 42 ALA H . 51815 1 167 . 1 . 1 42 42 ALA C C 13 179.2933 0.0000 . 1 . . 74899 . . 42 ALA C . 51815 1 168 . 1 . 1 42 42 ALA CA C 13 54.2501 0.0000 . 1 . . 74890 . . 42 ALA CA . 51815 1 169 . 1 . 1 42 42 ALA CB C 13 17.0997 0.0000 . 1 . . 74917 . . 42 ALA CB . 51815 1 170 . 1 . 1 42 42 ALA N N 15 123.2228 0.0000 . 1 . . 74889 . . 42 ALA N . 51815 1 171 . 1 . 1 43 43 SER H H 1 7.9989 0.0000 . 1 . . 59408 . . 43 SER H . 51815 1 172 . 1 . 1 43 43 SER C C 13 172.0923 0.0000 . 1 . . 52009 . . 43 SER C . 51815 1 173 . 1 . 1 43 43 SER CA C 13 54.2340 0.0000 . 1 . . 59350 . . 43 SER CA . 51815 1 174 . 1 . 1 43 43 SER CB C 13 62.2473 0.0000 . 1 . . 59338 . . 43 SER CB . 51815 1 175 . 1 . 1 43 43 SER N N 15 111.2060 0.0000 . 1 . . 59409 . . 43 SER N . 51815 1 176 . 1 . 1 44 44 PRO C C 13 175.8218 0.0000 . 1 . . 59992 . . 44 PRO C . 51815 1 177 . 1 . 1 44 44 PRO CA C 13 63.4456 0.0000 . 1 . . 52354 . . 44 PRO CA . 51815 1 178 . 1 . 1 44 44 PRO CB C 13 31.0608 0.0000 . 1 . . 54805 . . 44 PRO CB . 51815 1 179 . 1 . 1 45 45 ARG H H 1 7.8664 0.0000 . 1 . . 57101 . . 45 ARG H . 51815 1 180 . 1 . 1 45 45 ARG C C 13 175.4710 0.0000 . 1 . . 51277 . . 45 ARG C . 51815 1 181 . 1 . 1 45 45 ARG CA C 13 54.0267 0.0000 . 1 . . 57295 . . 45 ARG CA . 51815 1 182 . 1 . 1 45 45 ARG CB C 13 32.0270 0.0000 . 1 . . 80824 . . 45 ARG CB . 51815 1 183 . 1 . 1 45 45 ARG N N 15 122.9115 0.0000 . 1 . . 57102 . . 45 ARG N . 51815 1 184 . 1 . 1 46 46 GLU H H 1 8.6567 0.0000 . 1 . . 51002 . . 46 GLU H . 51815 1 185 . 1 . 1 46 46 GLU CA C 13 57.3870 0.0000 . 1 . . 56737 . . 46 GLU CA . 51815 1 186 . 1 . 1 46 46 GLU CB C 13 30.2363 0.0000 . 1 . . 56929 . . 46 GLU CB . 51815 1 187 . 1 . 1 46 46 GLU N N 15 125.8220 0.0000 . 1 . . 51003 . . 46 GLU N . 51815 1 188 . 1 . 1 58 58 PRO C C 13 178.0485 0.0000 . 1 . . 59626 . . 58 PRO C . 51815 1 189 . 1 . 1 58 58 PRO CA C 13 65.0578 0.0000 . 1 . . 58747 . . 58 PRO CA . 51815 1 190 . 1 . 1 59 59 GLU H H 1 9.2663 0.0000 . 1 . . 51809 . . 59 GLU H . 51815 1 191 . 1 . 1 59 59 GLU C C 13 178.7545 0.0000 . 1 . . 100404 . . 59 GLU C . 51815 1 192 . 1 . 1 59 59 GLU CB C 13 27.2108 0.0000 . 1 . . 100398 . . 59 GLU CB . 51815 1 193 . 1 . 1 59 59 GLU N N 15 116.3364 0.0000 . 1 . . 51810 . . 59 GLU N . 51815 1 194 . 1 . 1 60 60 TYR H H 1 7.7498 0.0000 . 1 . . 56762 . . 60 TYR H . 51815 1 195 . 1 . 1 60 60 TYR C C 13 175.5618 0.0000 . 1 . . . . . 60 TYR C . 51815 1 196 . 1 . 1 60 60 TYR CA C 13 60.1790 0.0000 . 1 . . 56764 . . 60 TYR CA . 51815 1 197 . 1 . 1 60 60 TYR CB C 13 38.3694 0.0000 . 1 . . 56899 . . 60 TYR CB . 51815 1 198 . 1 . 1 60 60 TYR N N 15 124.9297 0.0000 . 1 . . 56763 . . 60 TYR N . 51815 1 199 . 1 . 1 61 61 TRP C C 13 176.3551 0.0000 . 1 . . 59773 . . 61 TRP C . 51815 1 200 . 1 . 1 62 62 ASP H H 1 9.3539 0.0000 . 1 . . 57347 . . 62 ASP H . 51815 1 201 . 1 . 1 62 62 ASP C C 13 178.6857 0.0000 . 1 . . 51115 . . 62 ASP C . 51815 1 202 . 1 . 1 62 62 ASP CA C 13 56.7463 0.0000 . 1 . . 57118 . . 62 ASP CA . 51815 1 203 . 1 . 1 62 62 ASP CB C 13 39.3666 0.0000 . 1 . . 57349 . . 62 ASP CB . 51815 1 204 . 1 . 1 62 62 ASP N N 15 123.3335 0.0000 . 1 . . 57348 . . 62 ASP N . 51815 1 205 . 1 . 1 63 63 ARG H H 1 7.8771 0.0000 . 1 . . 52577 . . 63 ARG H . 51815 1 206 . 1 . 1 63 63 ARG C C 13 179.2916 0.0000 . 1 . . . . . 63 ARG C . 51815 1 207 . 1 . 1 63 63 ARG CA C 13 60.0757 0.0000 . 1 . . 57751 . . 63 ARG CA . 51815 1 208 . 1 . 1 63 63 ARG CB C 13 28.7410 0.0000 . 1 . . 58648 . . 63 ARG CB . 51815 1 209 . 1 . 1 63 63 ARG N N 15 120.3043 0.0000 . 1 . . 52578 . . 63 ARG N . 51815 1 210 . 1 . 1 66 66 GLN C C 13 179.1337 0.0000 . 1 . . 59545 . . 66 GLN C . 51815 1 211 . 1 . 1 66 66 GLN CA C 13 57.4686 0.0000 . 1 . . 54658 . . 66 GLN CA . 51815 1 212 . 1 . 1 67 67 ILE H H 1 7.5198 0.0000 . 1 . . 57452 . . 67 ILE H . 51815 1 213 . 1 . 1 67 67 ILE C C 13 177.7765 0.0000 . 1 . . . . . 67 ILE C . 51815 1 214 . 1 . 1 67 67 ILE CA C 13 63.9076 0.0000 . 1 . . 52360 . . 67 ILE CA . 51815 1 215 . 1 . 1 67 67 ILE N N 15 122.8308 0.0000 . 1 . . 57453 . . 67 ILE N . 51815 1 216 . 1 . 1 68 68 TYR H H 1 7.8943 0.0000 . 1 . . 56009 . . 68 TYR H . 51815 1 217 . 1 . 1 68 68 TYR C C 13 177.9492 0.0000 . 1 . . 59713 . . 68 TYR C . 51815 1 218 . 1 . 1 68 68 TYR CA C 13 59.2519 0.0000 . 1 . . 56149 . . 68 TYR CA . 51815 1 219 . 1 . 1 68 68 TYR N N 15 119.5367 0.0000 . 1 . . 56010 . . 68 TYR N . 51815 1 220 . 1 . 1 69 69 LYS H H 1 7.7452 0.0000 . 1 . . 58925 . . 69 LYS H . 51815 1 221 . 1 . 1 69 69 LYS C C 13 179.7797 0.0000 . 1 . . 51814 . . 69 LYS C . 51815 1 222 . 1 . 1 69 69 LYS CA C 13 59.6511 0.0000 . 1 . . 58804 . . 69 LYS CA . 51815 1 223 . 1 . 1 69 69 LYS N N 15 116.8589 0.0000 . 1 . . 58926 . . 69 LYS N . 51815 1 224 . 1 . 1 70 70 ALA H H 1 7.6433 0.0000 . 1 . . 62536 . . 70 ALA H . 51815 1 225 . 1 . 1 70 70 ALA C C 13 180.8211 0.0000 . 1 . . 62553 . . 70 ALA C . 51815 1 226 . 1 . 1 70 70 ALA CA C 13 54.1044 0.0000 . 1 . . 62541 . . 70 ALA CA . 51815 1 227 . 1 . 1 70 70 ALA CB C 13 17.8581 0.0000 . 1 . . 62544 . . 70 ALA CB . 51815 1 228 . 1 . 1 70 70 ALA N N 15 122.5531 0.0000 . 1 . . 62537 . . 70 ALA N . 51815 1 229 . 1 . 1 71 71 GLN H H 1 9.2716 0.0000 . 1 . . 61075 . . 71 GLN H . 51815 1 230 . 1 . 1 71 71 GLN C C 13 177.4933 0.0000 . 1 . . 61083 . . 71 GLN C . 51815 1 231 . 1 . 1 71 71 GLN CA C 13 56.9991 0.0000 . 1 . . 61077 . . 71 GLN CA . 51815 1 232 . 1 . 1 71 71 GLN N N 15 123.1575 0.0000 . 1 . . 61076 . . 71 GLN N . 51815 1 233 . 1 . 1 72 72 ALA H H 1 8.3930 0.0000 . 1 . . 118690 . . 72 ALA H . 51815 1 234 . 1 . 1 72 72 ALA C C 13 180.7781 0.0000 . 1 . . 118142 . . 72 ALA C . 51815 1 235 . 1 . 1 72 72 ALA CA C 13 55.2157 0.0000 . 1 . . 118136 . . 72 ALA CA . 51815 1 236 . 1 . 1 72 72 ALA CB C 13 15.9532 0.0000 . 1 . . 118157 . . 72 ALA CB . 51815 1 237 . 1 . 1 72 72 ALA N N 15 123.2365 0.0000 . 1 . . 118691 . . 72 ALA N . 51815 1 238 . 1 . 1 73 73 GLN H H 1 7.1121 0.0000 . 1 . . 118128 . . 73 GLN H . 51815 1 239 . 1 . 1 73 73 GLN C C 13 178.7947 0.0000 . 1 . . 118145 . . 73 GLN C . 51815 1 240 . 1 . 1 73 73 GLN CA C 13 58.6304 0.0000 . 1 . . 118133 . . 73 GLN CA . 51815 1 241 . 1 . 1 73 73 GLN CB C 13 27.1072 0.0000 . 1 . . 118139 . . 73 GLN CB . 51815 1 242 . 1 . 1 73 73 GLN N N 15 117.4551 0.0000 . 1 . . 118129 . . 73 GLN N . 51815 1 243 . 1 . 1 74 74 THR H H 1 8.1740 0.0000 . 1 . . 128339 . . 74 THR H . 51815 1 244 . 1 . 1 74 74 THR C C 13 176.3150 0.0000 . 1 . . 128353 . . 74 THR C . 51815 1 245 . 1 . 1 74 74 THR CA C 13 55.9226 0.0000 . 1 . . 128341 . . 74 THR CA . 51815 1 246 . 1 . 1 74 74 THR CB C 13 68.1061 0.0000 . 1 . . 128344 . . 74 THR CB . 51815 1 247 . 1 . 1 74 74 THR N N 15 121.4739 0.0000 . 1 . . 128340 . . 74 THR N . 51815 1 248 . 1 . 1 75 75 ASP C C 13 175.0727 0.0000 . 1 . . 60208 . . 75 ASP C . 51815 1 249 . 1 . 1 76 76 ARG H H 1 7.3800 0.0000 . 1 . . 60206 . . 76 ARG H . 51815 1 250 . 1 . 1 76 76 ARG C C 13 179.3218 0.0000 . 1 . . 51682 . . 76 ARG C . 51815 1 251 . 1 . 1 76 76 ARG CA C 13 55.2157 0.0000 . 1 . . . . . 76 ARG CA . 51815 1 252 . 1 . 1 76 76 ARG CB C 13 26.7097 0.0000 . 1 . . 58693 . . 76 ARG CB . 51815 1 253 . 1 . 1 76 76 ARG N N 15 118.7856 0.0000 . 1 . . 60207 . . 76 ARG N . 51815 1 254 . 1 . 1 77 77 GLU H H 1 7.5056 0.0000 . 1 . . 63867 . . 77 GLU H . 51815 1 255 . 1 . 1 77 77 GLU C C 13 178.7640 0.0000 . 1 . . 63878 . . 77 GLU C . 51815 1 256 . 1 . 1 77 77 GLU CA C 13 58.9564 0.0000 . 1 . . 63869 . . 77 GLU CA . 51815 1 257 . 1 . 1 77 77 GLU CB C 13 28.1249 0.0000 . 1 . . 63875 . . 77 GLU CB . 51815 1 258 . 1 . 1 77 77 GLU N N 15 122.3556 0.0000 . 1 . . 63868 . . 77 GLU N . 51815 1 259 . 1 . 1 78 78 SER H H 1 9.1437 0.0000 . 1 . . 58292 . . 78 SER H . 51815 1 260 . 1 . 1 78 78 SER CA C 13 62.4429 0.0000 . 1 . . 90479 . . 78 SER CA . 51815 1 261 . 1 . 1 78 78 SER CB C 13 61.2429 0.0000 . 1 . . 90464 . . 78 SER CB . 51815 1 262 . 1 . 1 78 78 SER N N 15 118.3160 0.0000 . 1 . . 58293 . . 78 SER N . 51815 1 263 . 1 . 1 79 79 LEU H H 1 8.8846 0.0000 . 1 . . 90459 . . 79 LEU H . 51815 1 264 . 1 . 1 79 79 LEU C C 13 179.7480 0.0000 . 1 . . 90473 . . 79 LEU C . 51815 1 265 . 1 . 1 79 79 LEU CA C 13 58.5932 0.0000 . 1 . . 90461 . . 79 LEU CA . 51815 1 266 . 1 . 1 79 79 LEU CB C 13 40.8655 0.0000 . 1 . . 90470 . . 79 LEU CB . 51815 1 267 . 1 . 1 79 79 LEU N N 15 121.1478 0.0000 . 1 . . 90460 . . 79 LEU N . 51815 1 268 . 1 . 1 80 80 ARG H H 1 7.3476 0.0000 . 1 . . 63289 . . 80 ARG H . 51815 1 269 . 1 . 1 80 80 ARG C C 13 178.6849 0.0000 . 1 . . 122970 . . 80 ARG C . 51815 1 270 . 1 . 1 80 80 ARG CB C 13 28.5039 0.0000 . 1 . . 122968 . . 80 ARG CB . 51815 1 271 . 1 . 1 80 80 ARG N N 15 121.2704 0.0000 . 1 . . 63290 . . 80 ARG N . 51815 1 272 . 1 . 1 81 81 ASN H H 1 8.2811 0.0000 . 1 . . 66599 . . 81 ASN H . 51815 1 273 . 1 . 1 81 81 ASN C C 13 177.3631 0.0000 . 1 . . 66610 . . 81 ASN C . 51815 1 274 . 1 . 1 81 81 ASN CA C 13 54.4571 0.0000 . 1 . . 66604 . . 81 ASN CA . 51815 1 275 . 1 . 1 81 81 ASN CB C 13 35.2516 0.0000 . 1 . . 66607 . . 81 ASN CB . 51815 1 276 . 1 . 1 81 81 ASN N N 15 121.9224 0.0000 . 1 . . 66600 . . 81 ASN N . 51815 1 277 . 1 . 1 82 82 LEU H H 1 8.5774 0.0000 . 1 . . 70543 . . 82 LEU H . 51815 1 278 . 1 . 1 82 82 LEU C C 13 178.1977 0.0000 . 1 . . . . . 82 LEU C . 51815 1 279 . 1 . 1 82 82 LEU CA C 13 58.4240 0.0000 . 1 . . 70548 . . 82 LEU CA . 51815 1 280 . 1 . 1 82 82 LEU CB C 13 40.1562 0.0000 . 1 . . 70551 . . 82 LEU CB . 51815 1 281 . 1 . 1 82 82 LEU N N 15 122.2975 0.0000 . 1 . . 70544 . . 82 LEU N . 51815 1 282 . 1 . 1 83 83 ARG H H 1 7.0950 0.0000 . 1 . . 69448 . . 83 ARG H . 51815 1 283 . 1 . 1 83 83 ARG C C 13 179.6113 0.0000 . 1 . . 69459 . . 83 ARG C . 51815 1 284 . 1 . 1 83 83 ARG CA C 13 58.8644 0.0000 . 1 . . 69453 . . 83 ARG CA . 51815 1 285 . 1 . 1 83 83 ARG CB C 13 27.5010 0.0000 . 1 . . 69456 . . 83 ARG CB . 51815 1 286 . 1 . 1 83 83 ARG N N 15 116.4207 0.0000 . 1 . . 69449 . . 83 ARG N . 51815 1 287 . 1 . 1 84 84 GLY H H 1 7.1021 0.0000 . 1 . . 55580 . . 84 GLY H . 51815 1 288 . 1 . 1 84 84 GLY C C 13 177.6148 0.0000 . 1 . . 101143 . . 84 GLY C . 51815 1 289 . 1 . 1 84 84 GLY CA C 13 46.5289 0.0000 . 1 . . 101141 . . 84 GLY CA . 51815 1 290 . 1 . 1 84 84 GLY N N 15 105.3137 0.0000 . 1 . . 55581 . . 84 GLY N . 51815 1 291 . 1 . 1 85 85 TYR H H 1 8.1798 0.0000 . 1 . . 57332 . . 85 TYR H . 51815 1 292 . 1 . 1 85 85 TYR C C 13 179.1655 0.0000 . 1 . . 51106 . . 85 TYR C . 51815 1 293 . 1 . 1 85 85 TYR N N 15 123.5500 0.0000 . 1 . . 57333 . . 85 TYR N . 51815 1 294 . 1 . 1 86 86 TYR H H 1 7.6436 0.0000 . 1 . . 65689 . . 86 TYR H . 51815 1 295 . 1 . 1 86 86 TYR C C 13 174.8498 0.0000 . 1 . . 65703 . . 86 TYR C . 51815 1 296 . 1 . 1 86 86 TYR CA C 13 58.7813 0.0000 . 1 . . 65694 . . 86 TYR CA . 51815 1 297 . 1 . 1 86 86 TYR CB C 13 37.5198 0.0000 . 1 . . 65697 . . 86 TYR CB . 51815 1 298 . 1 . 1 86 86 TYR N N 15 113.1487 0.0000 . 1 . . 65690 . . 86 TYR N . 51815 1 299 . 1 . 1 87 87 ASN H H 1 7.9328 0.0000 . 1 . . 58577 . . 87 ASN H . 51815 1 300 . 1 . 1 87 87 ASN C C 13 174.9129 0.0000 . 1 . . 51637 . . 87 ASN C . 51815 1 301 . 1 . 1 87 87 ASN CA C 13 54.2633 0.0000 . 1 . . 58429 . . 87 ASN CA . 51815 1 302 . 1 . 1 87 87 ASN CB C 13 36.4328 0.0000 . 1 . . 58579 . . 87 ASN CB . 51815 1 303 . 1 . 1 87 87 ASN N N 15 119.8984 0.0000 . 1 . . 58578 . . 87 ASN N . 51815 1 304 . 1 . 1 88 88 GLN H H 1 8.6343 0.0000 . 1 . . 58913 . . 88 GLN H . 51815 1 305 . 1 . 1 88 88 GLN C C 13 176.6264 0.0000 . 1 . . 124642 . . 88 GLN C . 51815 1 306 . 1 . 1 88 88 GLN CA C 13 54.2908 0.0000 . 1 . . 124640 . . 88 GLN CA . 51815 1 307 . 1 . 1 88 88 GLN CB C 13 28.6398 0.0000 . 1 . . 58918 . . 88 GLN CB . 51815 1 308 . 1 . 1 88 88 GLN N N 15 117.2089 0.0000 . 1 . . 58914 . . 88 GLN N . 51815 1 309 . 1 . 1 90 90 GLU C C 13 176.1158 0.0000 . 1 . . 60046 . . 90 GLU C . 51815 1 310 . 1 . 1 90 90 GLU CA C 13 57.3026 0.0000 . 1 . . 55927 . . 90 GLU CA . 51815 1 311 . 1 . 1 91 91 ALA H H 1 7.9176 0.0000 . 1 . . 58256 . . 91 ALA H . 51815 1 312 . 1 . 1 91 91 ALA C C 13 177.8919 0.0000 . 1 . . 51475 . . 91 ALA C . 51815 1 313 . 1 . 1 91 91 ALA CA C 13 52.8192 0.0000 . 1 . . 57874 . . 91 ALA CA . 51815 1 314 . 1 . 1 91 91 ALA CB C 13 18.4271 0.0000 . 1 . . 58258 . . 91 ALA CB . 51815 1 315 . 1 . 1 91 91 ALA N N 15 120.7000 0.0000 . 1 . . 58257 . . 91 ALA N . 51815 1 316 . 1 . 1 92 92 GLY H H 1 7.3917 0.0000 . 1 . . 59453 . . 92 GLY H . 51815 1 317 . 1 . 1 92 92 GLY C C 13 172.2606 0.0000 . 1 . . 52054 . . 92 GLY C . 51815 1 318 . 1 . 1 92 92 GLY CA C 13 43.8005 0.0000 . 1 . . 59449 . . 92 GLY CA . 51815 1 319 . 1 . 1 92 92 GLY N N 15 105.9076 0.0000 . 1 . . 59454 . . 92 GLY N . 51815 1 320 . 1 . 1 93 93 SER H H 1 7.8896 0.0000 . 1 . . 53129 . . 93 SER H . 51815 1 321 . 1 . 1 93 93 SER C C 13 174.3396 0.0000 . 1 . . 51910 . . 93 SER C . 51815 1 322 . 1 . 1 93 93 SER CA C 13 56.9341 0.0000 . 1 . . 59014 . . 93 SER CA . 51815 1 323 . 1 . 1 93 93 SER CB C 13 63.5110 0.0000 . 1 . . 58984 . . 93 SER CB . 51815 1 324 . 1 . 1 93 93 SER N N 15 115.3546 0.0000 . 1 . . 53130 . . 93 SER N . 51815 1 325 . 1 . 1 94 94 HIS H H 1 8.3093 0.0000 . 1 . . 94920 . . 94 HIS H . 51815 1 326 . 1 . 1 94 94 HIS C C 13 172.8907 0.0000 . 1 . . 94931 . . 94 HIS C . 51815 1 327 . 1 . 1 94 94 HIS CA C 13 54.4942 0.0000 . 1 . . 94925 . . 94 HIS CA . 51815 1 328 . 1 . 1 94 94 HIS CB C 13 32.8479 0.0000 . 1 . . 94928 . . 94 HIS CB . 51815 1 329 . 1 . 1 94 94 HIS N N 15 122.9842 0.0000 . 1 . . 94921 . . 94 HIS N . 51815 1 330 . 1 . 1 95 95 THR H H 1 8.3843 0.0000 . 1 . . 53123 . . 95 THR H . 51815 1 331 . 1 . 1 95 95 THR C C 13 172.9319 0.0000 . 1 . . 51949 . . 95 THR C . 51815 1 332 . 1 . 1 95 95 THR CA C 13 61.3631 0.0000 . 1 . . 58972 . . 95 THR CA . 51815 1 333 . 1 . 1 95 95 THR CB C 13 70.5500 0.0000 . 1 . . 58960 . . 95 THR CB . 51815 1 334 . 1 . 1 95 95 THR N N 15 114.2020 0.0000 . 1 . . 53124 . . 95 THR N . 51815 1 335 . 1 . 1 96 96 LEU H H 1 9.8749 0.0000 . 1 . . 52073 . . 96 LEU H . 51815 1 336 . 1 . 1 96 96 LEU C C 13 176.0585 0.0000 . 1 . . 118175 . . 96 LEU C . 51815 1 337 . 1 . 1 96 96 LEU CA C 13 53.2973 0.0000 . 1 . . 52096 . . 96 LEU CA . 51815 1 338 . 1 . 1 96 96 LEU CB C 13 45.0078 0.0000 . 1 . . 118173 . . 96 LEU CB . 51815 1 339 . 1 . 1 96 96 LEU N N 15 130.7331 0.0000 . 1 . . 52074 . . 96 LEU N . 51815 1 340 . 1 . 1 97 97 GLN H H 1 9.2387 0.0000 . 1 . . 56486 . . 97 GLN H . 51815 1 341 . 1 . 1 97 97 GLN C C 13 174.4941 0.0000 . 1 . . 50896 . . 97 GLN C . 51815 1 342 . 1 . 1 97 97 GLN CA C 13 53.4721 0.0000 . 1 . . 52168 . . 97 GLN CA . 51815 1 343 . 1 . 1 97 97 GLN N N 15 128.1262 0.0000 . 1 . . 56487 . . 97 GLN N . 51815 1 344 . 1 . 1 98 98 SER H H 1 9.6918 0.0000 . 1 . . 58826 . . 98 SER H . 51815 1 345 . 1 . 1 98 98 SER C C 13 172.4829 0.0000 . 1 . . 51853 . . 98 SER C . 51815 1 346 . 1 . 1 98 98 SER CA C 13 56.0072 0.0000 . 1 . . 58774 . . 98 SER CA . 51815 1 347 . 1 . 1 98 98 SER CB C 13 64.0963 0.0000 . 1 . . 58741 . . 98 SER CB . 51815 1 348 . 1 . 1 98 98 SER N N 15 116.1914 0.0000 . 1 . . 58827 . . 98 SER N . 51815 1 349 . 1 . 1 99 99 MET H H 1 9.1977 0.0000 . 1 . . . . . 99 MET H . 51815 1 350 . 1 . 1 99 99 MET C C 13 173.2218 0.0000 . 1 . . . . . 99 MET C . 51815 1 351 . 1 . 1 99 99 MET CA C 13 58.0022 0.0000 . 1 . . . . . 99 MET CA . 51815 1 352 . 1 . 1 99 99 MET CB C 13 41.3976 0.0000 . 1 . . . . . 99 MET CB . 51815 1 353 . 1 . 1 99 99 MET N N 15 126.3268 0.0000 . 1 . . . . . 99 MET N . 51815 1 354 . 1 . 1 100 100 TYR H H 1 8.0807 0.0000 . 1 . . . . . 100 TYR H . 51815 1 355 . 1 . 1 100 100 TYR N N 15 119.9484 0.0000 . 1 . . . . . 100 TYR N . 51815 1 356 . 1 . 1 101 101 GLY C C 13 170.8667 0.0000 . 1 . . 60535 . . 101 GLY C . 51815 1 357 . 1 . 1 102 102 CYS H H 1 8.1782 0.0000 . 1 . . 59393 . . 102 CYS H . 51815 1 358 . 1 . 1 102 102 CYS C C 13 171.7388 0.0000 . 1 . . 52012 . . 102 CYS C . 51815 1 359 . 1 . 1 102 102 CYS CA C 13 52.3473 0.0000 . 1 . . 59353 . . 102 CYS CA . 51815 1 360 . 1 . 1 102 102 CYS CB C 13 47.8881 0.0000 . 1 . . 59362 . . 102 CYS CB . 51815 1 361 . 1 . 1 102 102 CYS N N 15 111.1522 0.0000 . 1 . . 59394 . . 102 CYS N . 51815 1 362 . 1 . 1 103 103 ASP H H 1 8.6232 0.0000 . 1 . . 57911 . . 103 ASP H . 51815 1 363 . 1 . 1 103 103 ASP C C 13 175.5467 0.0000 . 1 . . 118318 . . 103 ASP C . 51815 1 364 . 1 . 1 103 103 ASP CA C 13 52.2081 0.0000 . 1 . . 118316 . . 103 ASP CA . 51815 1 365 . 1 . 1 103 103 ASP N N 15 122.2156 0.0000 . 1 . . 57912 . . 103 ASP N . 51815 1 366 . 1 . 1 104 104 VAL H H 1 9.4530 0.0000 . 1 . . 55862 . . 104 VAL H . 51815 1 367 . 1 . 1 104 104 VAL C C 13 175.6721 0.0000 . 1 . . 51520 . . 104 VAL C . 51815 1 368 . 1 . 1 104 104 VAL CA C 13 59.3206 0.0000 . 1 . . 52567 . . 104 VAL CA . 51815 1 369 . 1 . 1 104 104 VAL CB C 13 34.4142 0.0000 . 1 . . 58093 . . 104 VAL CB . 51815 1 370 . 1 . 1 104 104 VAL N N 15 120.4655 0.0000 . 1 . . 55863 . . 104 VAL N . 51815 1 371 . 1 . 1 105 105 GLY H H 1 8.4363 0.0000 . 1 . . 59390 . . 105 GLY H . 51815 1 372 . 1 . 1 105 105 GLY C C 13 173.6914 0.0000 . 1 . . 52021 . . 105 GLY C . 51815 1 373 . 1 . 1 105 105 GLY CA C 13 44.1516 0.0000 . 1 . . 59392 . . 105 GLY CA . 51815 1 374 . 1 . 1 105 105 GLY N N 15 110.0861 0.0000 . 1 . . 59391 . . 105 GLY N . 51815 1 375 . 1 . 1 106 106 PRO C C 13 176.6158 0.0000 . 1 . . 79100 . . 106 PRO C . 51815 1 376 . 1 . 1 106 106 PRO CA C 13 64.2615 0.0000 . 1 . . 79103 . . 106 PRO CA . 51815 1 377 . 1 . 1 106 106 PRO CB C 13 30.7730 0.0000 . 1 . . 79109 . . 106 PRO CB . 51815 1 378 . 1 . 1 107 107 ASP H H 1 7.8994 0.0000 . 1 . . 79083 . . 107 ASP H . 51815 1 379 . 1 . 1 107 107 ASP C C 13 177.1050 0.0000 . 1 . . 79094 . . 107 ASP C . 51815 1 380 . 1 . 1 107 107 ASP CA C 13 52.2484 0.0000 . 1 . . 79088 . . 107 ASP CA . 51815 1 381 . 1 . 1 107 107 ASP CB C 13 39.2598 0.0000 . 1 . . 79091 . . 107 ASP CB . 51815 1 382 . 1 . 1 107 107 ASP N N 15 115.2044 0.0000 . 1 . . 79084 . . 107 ASP N . 51815 1 383 . 1 . 1 108 108 GLY H H 1 8.2325 0.0000 . 1 . . 53237 . . 108 GLY H . 51815 1 384 . 1 . 1 108 108 GLY C C 13 173.4237 0.0000 . 1 . . 124883 . . 108 GLY C . 51815 1 385 . 1 . 1 108 108 GLY CA C 13 45.1650 0.0000 . 1 . . 53236 . . 108 GLY CA . 51815 1 386 . 1 . 1 108 108 GLY N N 15 108.5304 0.0000 . 1 . . 53238 . . 108 GLY N . 51815 1 387 . 1 . 1 109 109 ARG H H 1 7.4273 0.0000 . 1 . . 58493 . . 109 ARG H . 51815 1 388 . 1 . 1 109 109 ARG C C 13 176.3208 0.0000 . 1 . . 51706 . . 109 ARG C . 51815 1 389 . 1 . 1 109 109 ARG CA C 13 54.6358 0.0000 . 1 . . 52873 . . 109 ARG CA . 51815 1 390 . 1 . 1 109 109 ARG CB C 13 30.2722 0.0000 . 1 . . 58666 . . 109 ARG CB . 51815 1 391 . 1 . 1 109 109 ARG N N 15 118.7891 0.0000 . 1 . . 58494 . . 109 ARG N . 51815 1 392 . 1 . 1 110 110 LEU H H 1 8.6346 0.0000 . 1 . . 57365 . . 110 LEU H . 51815 1 393 . 1 . 1 110 110 LEU C C 13 176.7052 0.0000 . 1 . . 51241 . . 110 LEU C . 51815 1 394 . 1 . 1 110 110 LEU CB C 13 40.9555 0.0000 . 1 . . 57367 . . 110 LEU CB . 51815 1 395 . 1 . 1 110 110 LEU N N 15 122.8122 0.0000 . 1 . . 57366 . . 110 LEU N . 51815 1 396 . 1 . 1 111 111 LEU H H 1 9.4612 0.0000 . 1 . . 59744 . . 111 LEU H . 51815 1 397 . 1 . 1 111 111 LEU C C 13 175.5467 0.0000 . 1 . . . . . 111 LEU C . 51815 1 398 . 1 . 1 111 111 LEU CA C 13 55.2006 0.0000 . 1 . . 52084 . . 111 LEU CA . 51815 1 399 . 1 . 1 111 111 LEU N N 15 128.8910 0.0000 . 1 . . 59745 . . 111 LEU N . 51815 1 400 . 1 . 1 112 112 ARG H H 1 7.2045 0.0000 . 1 . . 126898 . . 112 ARG H . 51815 1 401 . 1 . 1 112 112 ARG C C 13 173.9667 0.0000 . 1 . . 126774 . . 112 ARG C . 51815 1 402 . 1 . 1 112 112 ARG CA C 13 55.2204 0.0000 . 1 . . 126762 . . 112 ARG CA . 51815 1 403 . 1 . 1 112 112 ARG CB C 13 31.9730 0.0000 . 1 . . 126906 . . 112 ARG CB . 51815 1 404 . 1 . 1 112 112 ARG N N 15 115.1720 0.0000 . 1 . . 126899 . . 112 ARG N . 51815 1 405 . 1 . 1 113 113 GLY H H 1 8.6996 0.0000 . 1 . . 59342 . . 113 GLY H . 51815 1 406 . 1 . 1 113 113 GLY C C 13 170.0752 0.0000 . 1 . . 126653 . . 113 GLY C . 51815 1 407 . 1 . 1 113 113 GLY CA C 13 43.0550 0.0000 . 1 . . 126724 . . 113 GLY CA . 51815 1 408 . 1 . 1 113 113 GLY N N 15 110.4780 0.0000 . 1 . . 59343 . . 113 GLY N . 51815 1 409 . 1 . 1 114 114 HIS H H 1 8.6067 0.0000 . 1 . . 97238 . . 114 HIS H . 51815 1 410 . 1 . 1 114 114 HIS C C 13 174.8812 0.0000 . 1 . . 126632 . . 114 HIS C . 51815 1 411 . 1 . 1 114 114 HIS CA C 13 54.9189 0.0000 . 1 . . 126624 . . 114 HIS CA . 51815 1 412 . 1 . 1 114 114 HIS CB C 13 33.7833 0.0000 . 1 . . 126628 . . 114 HIS CB . 51815 1 413 . 1 . 1 114 114 HIS N N 15 118.8768 0.0000 . 1 . . 97239 . . 114 HIS N . 51815 1 414 . 1 . 1 115 115 ASP H H 1 9.7178 0.0000 . 1 . . 57404 . . 115 ASP H . 51815 1 415 . 1 . 1 115 115 ASP C C 13 173.4838 0.0000 . 1 . . 60406 . . 115 ASP C . 51815 1 416 . 1 . 1 115 115 ASP CA C 13 56.1474 0.0000 . 1 . . 57790 . . 115 ASP CA . 51815 1 417 . 1 . 1 115 115 ASP CB C 13 42.0162 0.0000 . 1 . . 57928 . . 115 ASP CB . 51815 1 418 . 1 . 1 115 115 ASP N N 15 124.0542 0.0000 . 1 . . 57405 . . 115 ASP N . 51815 1 419 . 1 . 1 116 116 GLN H H 1 9.3886 0.0000 . 1 . . 57926 . . 116 GLN H . 51815 1 420 . 1 . 1 116 116 GLN C C 13 174.6631 0.0000 . 1 . . 51424 . . 116 GLN C . 51815 1 421 . 1 . 1 116 116 GLN CA C 13 55.4297 0.0000 . 1 . . 52642 . . 116 GLN CA . 51815 1 422 . 1 . 1 116 116 GLN CB C 13 32.9331 0.0000 . 1 . . 58090 . . 116 GLN CB . 51815 1 423 . 1 . 1 116 116 GLN N N 15 121.4284 0.0000 . 1 . . 57927 . . 116 GLN N . 51815 1 424 . 1 . 1 117 117 TYR H H 1 8.8115 0.0000 . 1 . . 58781 . . 117 TYR H . 51815 1 425 . 1 . 1 117 117 TYR C C 13 175.8399 0.0000 . 1 . . 51835 . . 117 TYR C . 51815 1 426 . 1 . 1 117 117 TYR CA C 13 57.8004 0.0000 . 1 . . 58783 . . 117 TYR CA . 51815 1 427 . 1 . 1 117 117 TYR CB C 13 43.4635 0.0000 . 1 . . 58867 . . 117 TYR CB . 51815 1 428 . 1 . 1 117 117 TYR N N 15 116.2236 0.0000 . 1 . . 58782 . . 117 TYR N . 51815 1 429 . 1 . 1 118 118 ALA H H 1 8.6827 0.0000 . 1 . . 57002 . . 118 ALA H . 51815 1 430 . 1 . 1 118 118 ALA C C 13 175.4553 0.0000 . 1 . . 50992 . . 118 ALA C . 51815 1 431 . 1 . 1 118 118 ALA CA C 13 50.4137 0.0000 . 1 . . 56842 . . 118 ALA CA . 51815 1 432 . 1 . 1 118 118 ALA CB C 13 19.3498 0.0000 . 1 . . 57004 . . 118 ALA CB . 51815 1 433 . 1 . 1 118 118 ALA N N 15 125.6167 0.0000 . 1 . . 57003 . . 118 ALA N . 51815 1 434 . 1 . 1 119 119 TYR H H 1 8.3938 0.0000 . 1 . . 84758 . . 119 TYR H . 51815 1 435 . 1 . 1 119 119 TYR C C 13 174.9824 0.0000 . 1 . . 84778 . . 119 TYR C . 51815 1 436 . 1 . 1 119 119 TYR CA C 13 54.4217 0.0000 . 1 . . 84763 . . 119 TYR CA . 51815 1 437 . 1 . 1 119 119 TYR CB C 13 40.0992 0.0000 . 1 . . 84769 . . 119 TYR CB . 51815 1 438 . 1 . 1 119 119 TYR N N 15 121.9506 0.0000 . 1 . . 84759 . . 119 TYR N . 51815 1 439 . 1 . 1 120 120 ASP H H 1 9.5326 0.0000 . 1 . . 56408 . . 120 ASP H . 51815 1 440 . 1 . 1 120 120 ASP C C 13 174.8973 0.0000 . 1 . . 50854 . . 120 ASP C . 51815 1 441 . 1 . 1 120 120 ASP CB C 13 38.2001 0.0000 . 1 . . 56407 . . 120 ASP CB . 51815 1 442 . 1 . 1 120 120 ASP N N 15 129.4327 0.0000 . 1 . . 56409 . . 120 ASP N . 51815 1 443 . 1 . 1 121 121 GLY C C 13 171.6951 0.0000 . 1 . . 124389 . . 121 GLY C . 51815 1 444 . 1 . 1 121 121 GLY CA C 13 43.9240 0.0000 . 1 . . 124392 . . 121 GLY CA . 51815 1 445 . 1 . 1 122 122 LYS H H 1 7.1944 0.0000 . 1 . . 124375 . . 122 LYS H . 51815 1 446 . 1 . 1 122 122 LYS C C 13 174.6508 0.0000 . 1 . . 124443 . . 122 LYS C . 51815 1 447 . 1 . 1 122 122 LYS CA C 13 53.4318 0.0000 . 1 . . 118517 . . 122 LYS CA . 51815 1 448 . 1 . 1 122 122 LYS CB C 13 34.4043 0.0000 . 1 . . 118535 . . 122 LYS CB . 51815 1 449 . 1 . 1 122 122 LYS N N 15 119.0203 0.0000 . 1 . . 124376 . . 122 LYS N . 51815 1 450 . 1 . 1 123 123 ASP H H 1 8.3577 0.0000 . 1 . . 57818 . . 123 ASP H . 51815 1 451 . 1 . 1 123 123 ASP C C 13 174.1445 0.0000 . 1 . . 51301 . . 123 ASP C . 51815 1 452 . 1 . 1 123 123 ASP CA C 13 56.9156 0.0000 . 1 . . 52408 . . 123 ASP CA . 51815 1 453 . 1 . 1 123 123 ASP CB C 13 41.1750 0.0000 . 1 . . 57373 . . 123 ASP CB . 51815 1 454 . 1 . 1 123 123 ASP N N 15 122.3802 0.0000 . 1 . . 57819 . . 123 ASP N . 51815 1 455 . 1 . 1 124 124 TYR H H 1 8.7355 0.0000 . 1 . . 51293 . . 124 TYR H . 51815 1 456 . 1 . 1 124 124 TYR C C 13 173.0842 0.0000 . 1 . . . . . 124 TYR C . 51815 1 457 . 1 . 1 124 124 TYR CA C 13 59.6912 0.0000 . 1 . . 59026 . . 124 TYR CA . 51815 1 458 . 1 . 1 124 124 TYR CB C 13 41.2467 0.0000 . 1 . . 57358 . . 124 TYR CB . 51815 1 459 . 1 . 1 124 124 TYR N N 15 123.1745 0.0000 . 1 . . 51294 . . 124 TYR N . 51815 1 460 . 1 . 1 125 125 ILE H H 1 7.4072 0.0000 . 1 . . 59051 . . 125 ILE H . 51815 1 461 . 1 . 1 125 125 ILE C C 13 172.3715 0.0000 . 1 . . 51931 . . 125 ILE C . 51815 1 462 . 1 . 1 125 125 ILE CA C 13 59.7945 0.0000 . 1 . . 53092 . . 125 ILE CA . 51815 1 463 . 1 . 1 125 125 ILE CB C 13 41.3791 0.0000 . 1 . . 59089 . . 125 ILE CB . 51815 1 464 . 1 . 1 125 125 ILE N N 15 114.9756 0.0000 . 1 . . 59052 . . 125 ILE N . 51815 1 465 . 1 . 1 126 126 ALA H H 1 8.3994 0.0000 . 1 . . 56525 . . 126 ALA H . 51815 1 466 . 1 . 1 126 126 ALA C C 13 175.6187 0.0000 . 1 . . 50956 . . 126 ALA C . 51815 1 467 . 1 . 1 126 126 ALA CA C 13 51.3869 0.0000 . 1 . . 56524 . . 126 ALA CA . 51815 1 468 . 1 . 1 126 126 ALA CB C 13 22.7306 0.0000 . 1 . . 56674 . . 126 ALA CB . 51815 1 469 . 1 . 1 126 126 ALA N N 15 126.8695 0.0000 . 1 . . 56526 . . 126 ALA N . 51815 1 470 . 1 . 1 127 127 LEU H H 1 9.3905 0.0000 . 1 . . 56999 . . 127 LEU H . 51815 1 471 . 1 . 1 127 127 LEU C C 13 177.0328 0.0000 . 1 . . 50974 . . 127 LEU C . 51815 1 472 . 1 . 1 127 127 LEU CA C 13 54.3602 0.0000 . 1 . . 52282 . . 127 LEU CA . 51815 1 473 . 1 . 1 127 127 LEU CB C 13 42.8397 0.0000 . 1 . . 56863 . . 127 LEU CB . 51815 1 474 . 1 . 1 127 127 LEU N N 15 126.5042 0.0000 . 1 . . 57000 . . 127 LEU N . 51815 1 475 . 1 . 1 128 128 ASN H H 1 8.8407 0.0000 . 1 . . 52316 . . 128 ASN H . 51815 1 476 . 1 . 1 128 128 ASN C C 13 176.2056 0.0000 . 1 . . 50980 . . 128 ASN C . 51815 1 477 . 1 . 1 128 128 ASN CA C 13 52.7551 0.0000 . 1 . . 52315 . . 128 ASN CA . 51815 1 478 . 1 . 1 128 128 ASN CB C 13 37.6287 0.0000 . 1 . . 56881 . . 128 ASN CB . 51815 1 479 . 1 . 1 128 128 ASN N N 15 126.3299 0.0000 . 1 . . 52317 . . 128 ASN N . 51815 1 480 . 1 . 1 129 129 GLU H H 1 8.7393 0.0000 . 1 . . 58373 . . 129 GLU H . 51815 1 481 . 1 . 1 129 129 GLU C C 13 176.3577 0.0000 . 1 . . 51607 . . 129 GLU C . 51815 1 482 . 1 . 1 129 129 GLU CA C 13 58.7293 0.0000 . 1 . . 52795 . . 129 GLU CA . 51815 1 483 . 1 . 1 129 129 GLU CB C 13 28.4539 0.0000 . 1 . . 58600 . . 129 GLU CB . 51815 1 484 . 1 . 1 129 129 GLU N N 15 119.8539 0.0000 . 1 . . 58374 . . 129 GLU N . 51815 1 485 . 1 . 1 131 131 LEU C C 13 175.4198 0.0000 . 1 . . 60097 . . 131 LEU C . 51815 1 486 . 1 . 1 132 132 ARG H H 1 8.2161 0.0000 . 1 . . 59189 . . 132 ARG H . 51815 1 487 . 1 . 1 132 132 ARG C C 13 174.9482 0.0000 . 1 . . 60244 . . 132 ARG C . 51815 1 488 . 1 . 1 132 132 ARG CA C 13 55.2878 0.0000 . 1 . . 56251 . . 132 ARG CA . 51815 1 489 . 1 . 1 132 132 ARG N N 15 113.2498 0.0000 . 1 . . 59190 . . 132 ARG N . 51815 1 490 . 1 . 1 133 133 SER H H 1 7.7491 0.0000 . 1 . . 58985 . . 133 SER H . 51815 1 491 . 1 . 1 133 133 SER C C 13 171.2251 0.0000 . 1 . . 51955 . . 133 SER C . 51815 1 492 . 1 . 1 133 133 SER CA C 13 56.2181 0.0000 . 1 . . 53119 . . 133 SER CA . 51815 1 493 . 1 . 1 133 133 SER CB C 13 65.5489 0.0000 . 1 . . 58969 . . 133 SER CB . 51815 1 494 . 1 . 1 133 133 SER N N 15 114.8699 0.0000 . 1 . . 58986 . . 133 SER N . 51815 1 495 . 1 . 1 134 134 TRP H H 1 8.6836 0.0000 . 1 . . 58595 . . 134 TRP H . 51815 1 496 . 1 . 1 134 134 TRP C C 13 176.8747 0.0000 . 1 . . 51601 . . 134 TRP C . 51815 1 497 . 1 . 1 134 134 TRP CA C 13 55.4735 0.0000 . 1 . . 52822 . . 134 TRP CA . 51815 1 498 . 1 . 1 134 134 TRP CB C 13 32.5329 0.0000 . 1 . . 58555 . . 134 TRP CB . 51815 1 499 . 1 . 1 134 134 TRP N N 15 120.1661 0.0000 . 1 . . 58596 . . 134 TRP N . 51815 1 500 . 1 . 1 135 135 THR H H 1 9.5270 0.0000 . 1 . . 58718 . . 135 THR H . 51815 1 501 . 1 . 1 135 135 THR C C 13 173.6337 0.0000 . 1 . . 51793 . . 135 THR C . 51815 1 502 . 1 . 1 135 135 THR CA C 13 62.8110 0.0000 . 1 . . 52942 . . 135 THR CA . 51815 1 503 . 1 . 1 135 135 THR CB C 13 70.1693 0.0000 . 1 . . 58717 . . 135 THR CB . 51815 1 504 . 1 . 1 135 135 THR N N 15 117.7218 0.0000 . 1 . . 58719 . . 135 THR N . 51815 1 505 . 1 . 1 136 136 ALA H H 1 8.9783 0.0000 . 1 . . 56369 . . 136 ALA H . 51815 1 506 . 1 . 1 136 136 ALA C C 13 177.2797 0.0000 . 1 . . 50818 . . 136 ALA C . 51815 1 507 . 1 . 1 136 136 ALA CA C 13 50.1776 0.0000 . 1 . . 93644 . . 136 ALA CA . 51815 1 508 . 1 . 1 136 136 ALA CB C 13 19.4122 0.0000 . 1 . . 56374 . . 136 ALA CB . 51815 1 509 . 1 . 1 136 136 ALA N N 15 132.9806 0.0000 . 1 . . 56370 . . 136 ALA N . 51815 1 510 . 1 . 1 137 137 ALA H H 1 8.3053 0.0000 . 1 . . 118601 . . 137 ALA H . 51815 1 511 . 1 . 1 137 137 ALA C C 13 177.0166 0.0000 . 1 . . 118618 . . 137 ALA C . 51815 1 512 . 1 . 1 137 137 ALA CA C 13 53.8851 0.0000 . 1 . . 118606 . . 137 ALA CA . 51815 1 513 . 1 . 1 137 137 ALA CB C 13 19.5679 0.0000 . 1 . . 118615 . . 137 ALA CB . 51815 1 514 . 1 . 1 137 137 ALA N N 15 124.8150 0.0000 . 1 . . 118602 . . 137 ALA N . 51815 1 515 . 1 . 1 138 138 ASP H H 1 7.1959 0.0000 . 1 . . 59093 . . 138 ASP H . 51815 1 516 . 1 . 1 138 138 ASP C C 13 175.9871 0.0000 . 1 . . 51943 . . 138 ASP C . 51815 1 517 . 1 . 1 138 138 ASP CA C 13 52.1945 0.0000 . 1 . . 53140 . . 138 ASP CA . 51815 1 518 . 1 . 1 138 138 ASP CB C 13 41.2260 0.0000 . 1 . . 59095 . . 138 ASP CB . 51815 1 519 . 1 . 1 138 138 ASP N N 15 114.3801 0.0000 . 1 . . 59094 . . 138 ASP N . 51815 1 520 . 1 . 1 139 139 THR H H 1 7.7884 0.0000 . 1 . . 59330 . . 139 THR H . 51815 1 521 . 1 . 1 139 139 THR C C 13 176.7184 0.0000 . 1 . . 87718 . . 139 THR C . 51815 1 522 . 1 . 1 139 139 THR CA C 13 64.9934 0.0000 . 1 . . 53185 . . 139 THR CA . 51815 1 523 . 1 . 1 139 139 THR CB C 13 67.9763 0.0000 . 1 . . 59332 . . 139 THR CB . 51815 1 524 . 1 . 1 139 139 THR N N 15 110.1034 0.0000 . 1 . . 59331 . . 139 THR N . 51815 1 525 . 1 . 1 140 140 ALA H H 1 7.6067 0.0000 . 1 . . 56543 . . 140 ALA H . 51815 1 526 . 1 . 1 140 140 ALA C C 13 178.2138 0.0000 . 1 . . 67636 . . 140 ALA C . 51815 1 527 . 1 . 1 140 140 ALA CA C 13 54.4242 0.0000 . 1 . . 67639 . . 140 ALA CA . 51815 1 528 . 1 . 1 140 140 ALA N N 15 127.9474 0.0000 . 1 . . 56544 . . 140 ALA N . 51815 1 529 . 1 . 1 141 141 ALA H H 1 8.1206 0.0000 . 1 . . 67622 . . 141 ALA H . 51815 1 530 . 1 . 1 141 141 ALA C C 13 179.6772 0.0000 . 1 . . 67633 . . 141 ALA C . 51815 1 531 . 1 . 1 141 141 ALA CA C 13 53.4493 0.0000 . 1 . . 67627 . . 141 ALA CA . 51815 1 532 . 1 . 1 141 141 ALA CB C 13 18.5553 0.0000 . 1 . . 67630 . . 141 ALA CB . 51815 1 533 . 1 . 1 141 141 ALA N N 15 118.3285 0.0000 . 1 . . 67623 . . 141 ALA N . 51815 1 534 . 1 . 1 142 142 GLN H H 1 7.3422 0.0000 . 1 . . 58943 . . 142 GLN H . 51815 1 535 . 1 . 1 142 142 GLN C C 13 178.4624 0.0000 . 1 . . 51826 . . 142 GLN C . 51815 1 536 . 1 . 1 142 142 GLN CA C 13 58.0489 0.0000 . 1 . . 53002 . . 142 GLN CA . 51815 1 537 . 1 . 1 142 142 GLN CB C 13 27.2602 0.0000 . 1 . . 58945 . . 142 GLN CB . 51815 1 538 . 1 . 1 142 142 GLN N N 15 116.7339 0.0000 . 1 . . 58944 . . 142 GLN N . 51815 1 539 . 1 . 1 143 143 ILE H H 1 7.7616 0.0000 . 1 . . 52355 . . 143 ILE H . 51815 1 540 . 1 . 1 143 143 ILE C C 13 179.5847 0.0000 . 1 . . 51103 . . 143 ILE C . 51815 1 541 . 1 . 1 143 143 ILE N N 15 123.5662 0.0000 . 1 . . 52356 . . 143 ILE N . 51815 1 542 . 1 . 1 144 144 THR H H 1 6.5130 0.0000 . 1 . . 65512 . . 144 THR H . 51815 1 543 . 1 . 1 144 144 THR CA C 13 66.4833 0.0000 . 1 . . 65544 . . 144 THR CA . 51815 1 544 . 1 . 1 144 144 THR N N 15 117.8078 0.0000 . 1 . . 65513 . . 144 THR N . 51815 1 545 . 1 . 1 145 145 GLN H H 1 8.5248 0.0000 . 1 . . 58235 . . 145 GLN H . 51815 1 546 . 1 . 1 145 145 GLN C C 13 177.0222 0.0000 . 1 . . 51484 . . 145 GLN C . 51815 1 547 . 1 . 1 145 145 GLN CA C 13 59.6314 0.0000 . 1 . . 52573 . . 145 GLN CA . 51815 1 548 . 1 . 1 145 145 GLN CB C 13 27.1273 0.0000 . 1 . . 58237 . . 145 GLN CB . 51815 1 549 . 1 . 1 145 145 GLN N N 15 120.7580 0.0000 . 1 . . 58236 . . 145 GLN N . 51815 1 550 . 1 . 1 146 146 ARG H H 1 7.7679 0.0000 . 1 . . 58688 . . 146 ARG H . 51815 1 551 . 1 . 1 146 146 ARG C C 13 180.0067 0.0000 . 1 . . 51676 . . 146 ARG C . 51815 1 552 . 1 . 1 146 146 ARG CA C 13 59.1314 0.0000 . 1 . . 58351 . . 146 ARG CA . 51815 1 553 . 1 . 1 146 146 ARG N N 15 118.3150 0.0000 . 1 . . 58689 . . 146 ARG N . 51815 1 554 . 1 . 1 147 147 LYS H H 1 7.6220 0.0000 . 1 . . 63138 . . 147 LYS H . 51815 1 555 . 1 . 1 147 147 LYS C C 13 179.8856 0.0000 . 1 . . 63149 . . 147 LYS C . 51815 1 556 . 1 . 1 147 147 LYS N N 15 121.3951 0.0000 . 1 . . 63139 . . 147 LYS N . 51815 1 557 . 1 . 1 148 148 TRP H H 1 9.0973 0.0000 . 1 . . 62881 . . 148 TRP H . 51815 1 558 . 1 . 1 148 148 TRP C C 13 181.0670 0.0000 . 1 . . 62892 . . 148 TRP C . 51815 1 559 . 1 . 1 148 148 TRP CA C 13 57.9543 0.0000 . 1 . . 62886 . . 148 TRP CA . 51815 1 560 . 1 . 1 148 148 TRP N N 15 121.9464 0.0000 . 1 . . 62882 . . 148 TRP N . 51815 1 561 . 1 . 1 149 149 GLU H H 1 9.3945 0.0000 . 1 . . 60997 . . 149 GLU H . 51815 1 562 . 1 . 1 149 149 GLU C C 13 180.1139 0.0000 . 1 . . 62192 . . 149 GLU C . 51815 1 563 . 1 . 1 149 149 GLU CA C 13 60.1969 0.0000 . 1 . . 62174 . . 149 GLU CA . 51815 1 564 . 1 . 1 149 149 GLU N N 15 126.6573 0.0000 . 1 . . 60998 . . 149 GLU N . 51815 1 565 . 1 . 1 150 150 ALA H H 1 7.8369 0.0000 . 1 . . 62172 . . 150 ALA H . 51815 1 566 . 1 . 1 150 150 ALA C C 13 179.0879 0.0000 . 1 . . 59569 . . 150 ALA C . 51815 1 567 . 1 . 1 150 150 ALA CA C 13 54.2826 0.0000 . 1 . . 65160 . . 150 ALA CA . 51815 1 568 . 1 . 1 150 150 ALA N N 15 123.9718 0.0000 . 1 . . 62173 . . 150 ALA N . 51815 1 569 . 1 . 1 151 151 ALA H H 1 7.4909 0.0000 . 1 . . 58853 . . 151 ALA H . 51815 1 570 . 1 . 1 151 151 ALA C C 13 176.2171 0.0000 . 1 . . 51844 . . 151 ALA C . 51815 1 571 . 1 . 1 151 151 ALA CA C 13 51.2490 0.0000 . 1 . . 58852 . . 151 ALA CA . 51815 1 572 . 1 . 1 151 151 ALA CB C 13 18.1495 0.0000 . 1 . . 65243 . . 151 ALA CB . 51815 1 573 . 1 . 1 151 151 ALA N N 15 116.4133 0.0000 . 1 . . 58854 . . 151 ALA N . 51815 1 574 . 1 . 1 152 152 ARG H H 1 7.7932 0.0000 . 1 . . 53105 . . 152 ARG H . 51815 1 575 . 1 . 1 152 152 ARG C C 13 177.2394 0.0000 . 1 . . 51883 . . 152 ARG C . 51815 1 576 . 1 . 1 152 152 ARG CA C 13 57.1666 0.0000 . 1 . . 59017 . . 152 ARG CA . 51815 1 577 . 1 . 1 152 152 ARG CB C 13 25.3962 0.0000 . 1 . . 59137 . . 152 ARG CB . 51815 1 578 . 1 . 1 152 152 ARG N N 15 115.2305 0.0000 . 1 . . 53106 . . 152 ARG N . 51815 1 579 . 1 . 1 153 153 GLU H H 1 8.2381 0.0000 . 1 . . 58607 . . 153 GLU H . 51815 1 580 . 1 . 1 153 153 GLU C C 13 179.2268 0.0000 . 1 . . 51679 . . 153 GLU C . 51815 1 581 . 1 . 1 153 153 GLU CA C 13 58.4023 0.0000 . 1 . . 52801 . . 153 GLU CA . 51815 1 582 . 1 . 1 153 153 GLU CB C 13 30.6506 0.0000 . 1 . . 58609 . . 153 GLU CB . 51815 1 583 . 1 . 1 153 153 GLU N N 15 118.8851 0.0000 . 1 . . 58608 . . 153 GLU N . 51815 1 584 . 1 . 1 154 154 ALA H H 1 9.6810 0.0000 . 1 . . 59552 . . 154 ALA H . 51815 1 585 . 1 . 1 154 154 ALA C C 13 178.2577 0.0000 . 1 . . 99862 . . 154 ALA C . 51815 1 586 . 1 . 1 154 154 ALA CA C 13 55.5378 0.0000 . 1 . . 99864 . . 154 ALA CA . 51815 1 587 . 1 . 1 154 154 ALA N N 15 120.1264 0.0000 . 1 . . 59553 . . 154 ALA N . 51815 1 588 . 1 . 1 155 155 GLU H H 1 7.7017 0.0000 . 1 . . 51845 . . 155 GLU H . 51815 1 589 . 1 . 1 155 155 GLU C C 13 179.5965 0.0000 . 1 . . 123233 . . 155 GLU C . 51815 1 590 . 1 . 1 155 155 GLU N N 15 116.2483 0.0000 . 1 . . 51846 . . 155 GLU N . 51815 1 591 . 1 . 1 156 156 GLN H H 1 7.1956 0.0000 . 1 . . 57785 . . 156 GLN H . 51815 1 592 . 1 . 1 156 156 GLN C C 13 179.6864 0.0000 . 1 . . 123225 . . 156 GLN C . 51815 1 593 . 1 . 1 156 156 GLN N N 15 120.8361 0.0000 . 1 . . 57786 . . 156 GLN N . 51815 1 594 . 1 . 1 157 157 ARG H H 1 7.9779 0.0000 . 1 . . . . . 157 ARG H . 51815 1 595 . 1 . 1 157 157 ARG C C 13 178.9856 0.0000 . 1 . . . . . 157 ARG C . 51815 1 596 . 1 . 1 157 157 ARG N N 15 117.4121 0.0000 . 1 . . . . . 157 ARG N . 51815 1 597 . 1 . 1 158 158 ARG H H 1 7.2040 0.0000 . 1 . . . . . 158 ARG H . 51815 1 598 . 1 . 1 158 158 ARG C C 13 177.5956 0.0000 . 1 . . . . . 158 ARG C . 51815 1 599 . 1 . 1 158 158 ARG N N 15 121.4171 0.0000 . 1 . . . . . 158 ARG N . 51815 1 600 . 1 . 1 159 159 ALA H H 1 8.6009 0.0000 . 1 . . . . . 159 ALA H . 51815 1 601 . 1 . 1 159 159 ALA N N 15 108.0834 0.0000 . 1 . . . . . 159 ALA N . 51815 1 602 . 1 . 1 160 160 TYR C C 13 173.6602 0.0000 . 1 . . . . . 160 TYR C . 51815 1 603 . 1 . 1 161 161 LEU C C 13 175.9172 0.0000 . 1 . . 130936 . . 161 LEU C . 51815 1 604 . 1 . 1 161 161 LEU CA C 13 58.0022 0.0000 . 1 . . 127594 . . 161 LEU CA . 51815 1 605 . 1 . 1 161 161 LEU CB C 13 41.3976 0.0000 . 1 . . 127597 . . 161 LEU CB . 51815 1 606 . 1 . 1 162 162 GLU H H 1 8.1706 0.0000 . 1 . . 127580 . . 162 GLU H . 51815 1 607 . 1 . 1 162 162 GLU C C 13 177.1663 0.0000 . 1 . . 130933 . . 162 GLU C . 51815 1 608 . 1 . 1 162 162 GLU CA C 13 56.2514 0.0000 . 1 . . 130931 . . 162 GLU CA . 51815 1 609 . 1 . 1 162 162 GLU N N 15 108.4622 0.0000 . 1 . . 127581 . . 162 GLU N . 51815 1 610 . 1 . 1 163 163 GLY H H 1 7.2548 0.0000 . 1 . . 72796 . . 163 GLY H . 51815 1 611 . 1 . 1 163 163 GLY C C 13 173.3097 0.0000 . 1 . . 130181 . . 163 GLY C . 51815 1 612 . 1 . 1 163 163 GLY CA C 13 45.6859 0.0000 . 1 . . 127794 . . 163 GLY CA . 51815 1 613 . 1 . 1 163 163 GLY N N 15 109.1541 0.0000 . 1 . . 72797 . . 163 GLY N . 51815 1 614 . 1 . 1 164 164 GLU H H 1 8.8053 0.0000 . 1 . . 56402 . . 164 GLU H . 51815 1 615 . 1 . 1 164 164 GLU C C 13 177.0040 0.0000 . 1 . . . . . 164 GLU C . 51815 1 616 . 1 . 1 164 164 GLU N N 15 130.2362 0.0000 . 1 . . 56403 . . 164 GLU N . 51815 1 617 . 1 . 1 165 165 CYS H H 1 8.1265 0.0000 . 1 . . 59864 . . 165 CYS H . 51815 1 618 . 1 . 1 165 165 CYS CA C 13 62.3685 0.0000 . 1 . . 53077 . . 165 CYS CA . 51815 1 619 . 1 . 1 165 165 CYS N N 15 113.9691 0.0000 . 1 . . 59865 . . 165 CYS N . 51815 1 620 . 1 . 1 166 166 VAL C C 13 177.5838 0.0000 . 1 . . . . . 166 VAL C . 51815 1 621 . 1 . 1 167 167 GLU C C 13 175.5618 0.0000 . 1 . . 129908 . . 167 GLU C . 51815 1 622 . 1 . 1 167 167 GLU CA C 13 54.2230 0.0000 . 1 . . 129906 . . 167 GLU CA . 51815 1 623 . 1 . 1 168 168 TRP H H 1 7.9436 0.0000 . 1 . . 51527 . . 168 TRP H . 51815 1 624 . 1 . 1 168 168 TRP C C 13 175.3747 0.0000 . 1 . . 101865 . . 168 TRP C . 51815 1 625 . 1 . 1 168 168 TRP CA C 13 55.9373 0.0000 . 1 . . 101869 . . 168 TRP CA . 51815 1 626 . 1 . 1 168 168 TRP N N 15 120.8999 0.0000 . 1 . . 51528 . . 168 TRP N . 51815 1 627 . 1 . 1 169 169 LEU H H 1 7.9171 0.0000 . 1 . . 57287 . . 169 LEU H . 51815 1 628 . 1 . 1 169 169 LEU C C 13 178.4195 0.0000 . 1 . . . . . 169 LEU C . 51815 1 629 . 1 . 1 169 169 LEU CA C 13 60.3100 0.0000 . 1 . . 57205 . . 169 LEU CA . 51815 1 630 . 1 . 1 169 169 LEU CB C 13 37.8904 0.0000 . 1 . . 57400 . . 169 LEU CB . 51815 1 631 . 1 . 1 169 169 LEU N N 15 123.0081 0.0000 . 1 . . 57288 . . 169 LEU N . 51815 1 632 . 1 . 1 170 170 ARG H H 1 7.5467 0.0000 . 1 . . 58211 . . 170 ARG H . 51815 1 633 . 1 . 1 170 170 ARG C C 13 178.9338 0.0000 . 1 . . 51331 . . 170 ARG C . 51815 1 634 . 1 . 1 170 170 ARG CA C 13 56.6800 0.0000 . 1 . . 57772 . . 170 ARG CA . 51815 1 635 . 1 . 1 170 170 ARG CB C 13 28.2470 0.0000 . 1 . . 58213 . . 170 ARG CB . 51815 1 636 . 1 . 1 170 170 ARG N N 15 121.3885 0.0000 . 1 . . 58212 . . 170 ARG N . 51815 1 637 . 1 . 1 171 171 ARG H H 1 9.0684 0.0000 . 1 . . 58310 . . 171 ARG H . 51815 1 638 . 1 . 1 171 171 ARG C C 13 176.9741 0.0000 . 1 . . 51598 . . 171 ARG C . 51815 1 639 . 1 . 1 171 171 ARG CA C 13 60.1736 0.0000 . 1 . . 64390 . . 171 ARG CA . 51815 1 640 . 1 . 1 171 171 ARG CB C 13 28.3469 0.0000 . 1 . . 58144 . . 171 ARG CB . 51815 1 641 . 1 . 1 171 171 ARG N N 15 120.1432 0.0000 . 1 . . 58311 . . 171 ARG N . 51815 1 642 . 1 . 1 172 172 TYR H H 1 7.6108 0.0000 . 1 . . 58712 . . 172 TYR H . 51815 1 643 . 1 . 1 172 172 TYR C C 13 181.3629 0.0000 . 1 . . . . . 172 TYR C . 51815 1 644 . 1 . 1 172 172 TYR N N 15 118.8079 0.0000 . 1 . . 58713 . . 172 TYR N . 51815 1 645 . 1 . 1 173 173 LEU H H 1 7.2081 0.0000 . 1 . . 61238 . . 173 LEU H . 51815 1 646 . 1 . 1 173 173 LEU C C 13 177.0749 0.0000 . 1 . . 61249 . . 173 LEU C . 51815 1 647 . 1 . 1 173 173 LEU CA C 13 61.0169 0.0000 . 1 . . 61381 . . 173 LEU CA . 51815 1 648 . 1 . 1 173 173 LEU N N 15 117.4791 0.0000 . 1 . . 61239 . . 173 LEU N . 51815 1 649 . 1 . 1 174 174 GLU H H 1 8.9065 0.0000 . 1 . . 51806 . . 174 GLU H . 51815 1 650 . 1 . 1 174 174 GLU C C 13 175.2983 0.0000 . 1 . . 51784 . . 174 GLU C . 51815 1 651 . 1 . 1 174 174 GLU CA C 13 61.2159 0.0000 . 1 . . 58750 . . 174 GLU CA . 51815 1 652 . 1 . 1 174 174 GLU N N 15 117.6073 0.0000 . 1 . . 51807 . . 174 GLU N . 51815 1 653 . 1 . 1 175 175 ASN H H 1 6.2011 0.0000 . 1 . . 51875 . . 175 ASN H . 51815 1 654 . 1 . 1 175 175 ASN C C 13 173.5003 0.0000 . 1 . . 130869 . . 175 ASN C . 51815 1 655 . 1 . 1 175 175 ASN CA C 13 55.3627 0.0000 . 1 . . 130745 . . 175 ASN CA . 51815 1 656 . 1 . 1 175 175 ASN N N 15 115.2766 0.0000 . 1 . . 51876 . . 175 ASN N . 51815 1 657 . 1 . 1 176 176 GLY H H 1 8.7982 0.0000 . 1 . . 129088 . . 176 GLY H . 51815 1 658 . 1 . 1 176 176 GLY CA C 13 44.4279 0.0000 . 1 . . 130985 . . 176 GLY CA . 51815 1 659 . 1 . 1 176 176 GLY N N 15 102.8735 0.0000 . 1 . . 129089 . . 176 GLY N . 51815 1 660 . 1 . 1 177 177 LYS H H 1 7.1391 0.0000 . 1 . . 127720 . . 177 LYS H . 51815 1 661 . 1 . 1 177 177 LYS C C 13 177.3291 0.0000 . 1 . . 51358 . . 177 LYS C . 51815 1 662 . 1 . 1 177 177 LYS CA C 13 59.4282 0.0000 . 1 . . 91927 . . 177 LYS CA . 51815 1 663 . 1 . 1 177 177 LYS CB C 13 30.6294 0.0000 . 1 . . 101925 . . 177 LYS CB . 51815 1 664 . 1 . 1 177 177 LYS N N 15 121.9210 0.0000 . 1 . . 127721 . . 177 LYS N . 51815 1 665 . 1 . 1 178 178 ASP H H 1 8.5825 0.0000 . 1 . . 97510 . . 178 ASP H . 51815 1 666 . 1 . 1 178 178 ASP C C 13 176.3361 0.0000 . 1 . . 125303 . . 178 ASP C . 51815 1 667 . 1 . 1 178 178 ASP CA C 13 56.0270 0.0000 . 1 . . 56761 . . 178 ASP CA . 51815 1 668 . 1 . 1 178 178 ASP CB C 13 39.1792 0.0000 . 1 . . 97515 . . 178 ASP CB . 51815 1 669 . 1 . 1 178 178 ASP N N 15 119.2417 0.0000 . 1 . . 97511 . . 178 ASP N . 51815 1 670 . 1 . 1 179 179 LYS H H 1 7.6125 0.0000 . 1 . . 125370 . . 179 LYS H . 51815 1 671 . 1 . 1 179 179 LYS C C 13 177.6277 0.0000 . 1 . . 127148 . . 179 LYS C . 51815 1 672 . 1 . 1 179 179 LYS CB C 13 32.0433 0.0000 . 1 . . 125378 . . 179 LYS CB . 51815 1 673 . 1 . 1 179 179 LYS N N 15 115.4562 0.0000 . 1 . . 125371 . . 179 LYS N . 51815 1 674 . 1 . 1 180 180 LEU C C 13 178.6779 0.0000 . 1 . . . . . 180 LEU C . 51815 1 675 . 1 . 1 181 181 GLU H H 1 8.0583 0.0000 . 1 . . 58640 . . 181 GLU H . 51815 1 676 . 1 . 1 181 181 GLU C C 13 175.1780 0.0000 . 1 . . 60211 . . 181 GLU C . 51815 1 677 . 1 . 1 181 181 GLU CB C 13 28.7192 0.0000 . 1 . . 58672 . . 181 GLU CB . 51815 1 678 . 1 . 1 181 181 GLU N N 15 118.4013 0.0000 . 1 . . 58641 . . 181 GLU N . 51815 1 679 . 1 . 1 182 182 ARG H H 1 7.1367 0.0000 . 1 . . 58670 . . 182 ARG H . 51815 1 680 . 1 . 1 182 182 ARG C C 13 174.5214 0.0000 . 1 . . 51640 . . 182 ARG C . 51815 1 681 . 1 . 1 182 182 ARG CA C 13 54.7991 0.0000 . 1 . . 52843 . . 182 ARG CA . 51815 1 682 . 1 . 1 182 182 ARG CB C 13 31.0603 0.0000 . 1 . . 58669 . . 182 ARG CB . 51815 1 683 . 1 . 1 182 182 ARG N N 15 119.9375 0.0000 . 1 . . 58671 . . 182 ARG N . 51815 1 684 . 1 . 1 183 183 ALA H H 1 8.5046 0.0000 . 1 . . 52196 . . 183 ALA H . 51815 1 685 . 1 . 1 183 183 ALA C C 13 176.6377 0.0000 . 1 . . 50872 . . 183 ALA C . 51815 1 686 . 1 . 1 183 183 ALA CA C 13 51.1109 0.0000 . 1 . . 52201 . . 183 ALA CA . 51815 1 687 . 1 . 1 183 183 ALA CB C 13 18.9468 0.0000 . 1 . . 56668 . . 183 ALA CB . 51815 1 688 . 1 . 1 183 183 ALA N N 15 128.1538 0.0000 . 1 . . 52197 . . 183 ALA N . 51815 1 689 . 1 . 1 184 184 ASP H H 1 9.4975 0.0000 . 1 . . 73688 . . 184 ASP H . 51815 1 690 . 1 . 1 184 184 ASP C C 13 173.6602 0.0000 . 1 . . 123227 . . 184 ASP C . 51815 1 691 . 1 . 1 184 184 ASP CA C 13 51.1961 0.0000 . 1 . . 73693 . . 184 ASP CA . 51815 1 692 . 1 . 1 184 184 ASP CB C 13 41.8879 0.0000 . 1 . . 73696 . . 184 ASP CB . 51815 1 693 . 1 . 1 184 184 ASP N N 15 125.8388 0.0000 . 1 . . 73689 . . 184 ASP N . 51815 1 694 . 1 . 1 186 186 PRO C C 13 176.4969 0.0000 . 1 . . 59761 . . 186 PRO C . 51815 1 695 . 1 . 1 186 186 PRO CA C 13 61.6223 0.0000 . 1 . . 56695 . . 186 PRO CA . 51815 1 696 . 1 . 1 187 187 LYS H H 1 9.5145 0.0000 . 1 . . 51023 . . 187 LYS H . 51815 1 697 . 1 . 1 187 187 LYS C C 13 178.1044 0.0000 . 1 . . 51028 . . 187 LYS C . 51815 1 698 . 1 . 1 187 187 LYS CA C 13 55.8227 0.0000 . 1 . . 52264 . . 187 LYS CA . 51815 1 699 . 1 . 1 187 187 LYS CB C 13 30.8880 0.0000 . 1 . . 56923 . . 187 LYS CB . 51815 1 700 . 1 . 1 187 187 LYS N N 15 125.2720 0.0000 . 1 . . 51024 . . 187 LYS N . 51815 1 701 . 1 . 1 188 188 THR H H 1 8.3873 0.0000 . 1 . . 52958 . . 188 THR H . 51815 1 702 . 1 . 1 188 188 THR C C 13 174.4838 0.0000 . 1 . . 51850 . . 188 THR C . 51815 1 703 . 1 . 1 188 188 THR CA C 13 58.9432 0.0000 . 1 . . 52963 . . 188 THR CA . 51815 1 704 . 1 . 1 188 188 THR CB C 13 71.2952 0.0000 . 1 . . 58723 . . 188 THR CB . 51815 1 705 . 1 . 1 188 188 THR N N 15 116.7959 0.0000 . 1 . . 52959 . . 188 THR N . 51815 1 706 . 1 . 1 189 189 HIS H H 1 8.0657 0.0000 . 1 . . 53072 . . 189 HIS H . 51815 1 707 . 1 . 1 189 189 HIS C C 13 172.3897 0.0000 . 1 . . 51928 . . 189 HIS C . 51815 1 708 . 1 . 1 189 189 HIS CA C 13 55.7151 0.0000 . 1 . . 59008 . . 189 HIS CA . 51815 1 709 . 1 . 1 189 189 HIS CB C 13 31.6735 0.0000 . 1 . . 59116 . . 189 HIS CB . 51815 1 710 . 1 . 1 189 189 HIS N N 15 115.6051 0.0000 . 1 . . 53073 . . 189 HIS N . 51815 1 711 . 1 . 1 190 190 VAL H H 1 8.7069 0.0000 . 1 . . 57695 . . 190 VAL H . 51815 1 712 . 1 . 1 190 190 VAL C C 13 176.2580 0.0000 . 1 . . 51370 . . 190 VAL C . 51815 1 713 . 1 . 1 190 190 VAL CA C 13 60.4357 0.0000 . 1 . . 57694 . . 190 VAL CA . 51815 1 714 . 1 . 1 190 190 VAL CB C 13 34.3301 0.0000 . 1 . . 58099 . . 190 VAL CB . 51815 1 715 . 1 . 1 190 190 VAL N N 15 121.4291 0.0000 . 1 . . 57696 . . 190 VAL N . 51815 1 716 . 1 . 1 191 191 THR H H 1 9.7154 0.0000 . 1 . . 58307 . . 191 THR H . 51815 1 717 . 1 . 1 191 191 THR C C 13 171.9308 0.0000 . 1 . . 51751 . . 191 THR C . 51815 1 718 . 1 . 1 191 191 THR CA C 13 60.3550 0.0000 . 1 . . 58309 . . 191 THR CA . 51815 1 719 . 1 . 1 191 191 THR CB C 13 69.8439 0.0000 . 1 . . 58273 . . 191 THR CB . 51815 1 720 . 1 . 1 191 191 THR N N 15 119.0039 0.0000 . 1 . . 58308 . . 191 THR N . 51815 1 721 . 1 . 1 192 192 HIS H H 1 7.8751 0.0000 . 1 . . 54998 . . 192 HIS H . 51815 1 722 . 1 . 1 192 192 HIS C C 13 174.1210 0.0000 . 1 . . 129943 . . 192 HIS C . 51815 1 723 . 1 . 1 192 192 HIS CA C 13 54.9637 0.0000 . 1 . . 52669 . . 192 HIS CA . 51815 1 724 . 1 . 1 192 192 HIS CB C 13 32.8574 0.0000 . 1 . . 58123 . . 192 HIS CB . 51815 1 725 . 1 . 1 192 192 HIS N N 15 122.0454 0.0000 . 1 . . 54999 . . 192 HIS N . 51815 1 726 . 1 . 1 193 193 HIS H H 1 8.2465 0.0000 . 1 . . . . . 193 HIS H . 51815 1 727 . 1 . 1 193 193 HIS N N 15 123.3650 0.0000 . 1 . . . . . 193 HIS N . 51815 1 728 . 1 . 1 198 198 HIS C C 13 175.1978 0.0000 . 1 . . 60190 . . 198 HIS C . 51815 1 729 . 1 . 1 198 198 HIS CA C 13 55.1075 0.0000 . 1 . . 57904 . . 198 HIS CA . 51815 1 730 . 1 . 1 199 199 GLU H H 1 7.2911 0.0000 . 1 . . 57902 . . 199 GLU H . 51815 1 731 . 1 . 1 199 199 GLU C C 13 174.4159 0.0000 . 1 . . 51556 . . 199 GLU C . 51815 1 732 . 1 . 1 199 199 GLU CA C 13 55.0813 0.0000 . 1 . . 52687 . . 199 GLU CA . 51815 1 733 . 1 . 1 199 199 GLU CB C 13 34.2202 0.0000 . 1 . . 58129 . . 199 GLU CB . 51815 1 734 . 1 . 1 199 199 GLU N N 15 120.7867 0.0000 . 1 . . 57903 . . 199 GLU N . 51815 1 735 . 1 . 1 200 200 ALA H H 1 8.8918 0.0000 . 1 . . 57314 . . 200 ALA H . 51815 1 736 . 1 . 1 200 200 ALA C C 13 174.1812 0.0000 . 1 . . 51292 . . 200 ALA C . 51815 1 737 . 1 . 1 200 200 ALA CA C 13 50.3408 0.0000 . 1 . . 52543 . . 200 ALA CA . 51815 1 738 . 1 . 1 200 200 ALA CB C 13 21.5138 0.0000 . 1 . . 57550 . . 200 ALA CB . 51815 1 739 . 1 . 1 200 200 ALA N N 15 123.3158 0.0000 . 1 . . 57315 . . 200 ALA N . 51815 1 740 . 1 . 1 201 201 THR H H 1 8.4176 0.0000 . 1 . . 58280 . . 201 THR H . 51815 1 741 . 1 . 1 201 201 THR C C 13 174.5489 0.0000 . 1 . . 51730 . . 201 THR C . 51815 1 742 . 1 . 1 201 201 THR CA C 13 61.5921 0.0000 . 1 . . 52774 . . 201 THR CA . 51815 1 743 . 1 . 1 201 201 THR CB C 13 69.2872 0.0000 . 1 . . 58282 . . 201 THR CB . 51815 1 744 . 1 . 1 201 201 THR N N 15 118.3314 0.0000 . 1 . . 58281 . . 201 THR N . 51815 1 745 . 1 . 1 202 202 LEU H H 1 8.6213 0.0000 . 1 . . 56570 . . 202 LEU H . 51815 1 746 . 1 . 1 202 202 LEU CA C 13 52.4279 0.0000 . 1 . . 56521 . . 202 LEU CA . 51815 1 747 . 1 . 1 202 202 LEU CB C 13 42.7576 0.0000 . 1 . . 56572 . . 202 LEU CB . 51815 1 748 . 1 . 1 202 202 LEU N N 15 126.7492 0.0000 . 1 . . 56571 . . 202 LEU N . 51815 1 749 . 1 . 1 203 203 ARG H H 1 8.9810 0.0000 . 1 . . 57224 . . 203 ARG H . 51815 1 750 . 1 . 1 203 203 ARG C C 13 172.7970 0.0000 . 1 . . 51196 . . 203 ARG C . 51815 1 751 . 1 . 1 203 203 ARG CA C 13 54.9276 0.0000 . 1 . . 52474 . . 203 ARG CA . 51815 1 752 . 1 . 1 203 203 ARG N N 15 124.0450 0.0000 . 1 . . 57225 . . 203 ARG N . 51815 1 753 . 1 . 1 204 204 CYS H H 1 9.7716 0.0000 . 1 . . 60383 . . 204 CYS H . 51815 1 754 . 1 . 1 204 204 CYS C C 13 172.1979 0.0000 . 1 . . 50908 . . 204 CYS C . 51815 1 755 . 1 . 1 204 204 CYS CB C 13 40.6339 0.0000 . 1 . . 124159 . . 204 CYS CB . 51815 1 756 . 1 . 1 204 204 CYS N N 15 128.5718 0.0000 . 1 . . 60384 . . 204 CYS N . 51815 1 757 . 1 . 1 205 205 TRP H H 1 9.2401 0.0000 . 1 . . 56873 . . 205 TRP H . 51815 1 758 . 1 . 1 205 205 TRP C C 13 174.4815 0.0000 . 1 . . 119299 . . 205 TRP C . 51815 1 759 . 1 . 1 205 205 TRP CA C 13 56.9582 0.0000 . 1 . . 119291 . . 205 TRP CA . 51815 1 760 . 1 . 1 205 205 TRP CB C 13 31.0800 0.0000 . 1 . . 119295 . . 205 TRP CB . 51815 1 761 . 1 . 1 205 205 TRP N N 15 126.6267 0.0000 . 1 . . 56874 . . 205 TRP N . 51815 1 762 . 1 . 1 206 206 ALA H H 1 8.8783 0.0000 . 1 . . 51572 . . 206 ALA H . 51815 1 763 . 1 . 1 206 206 ALA C C 13 175.1839 0.0000 . 1 . . 51538 . . 206 ALA C . 51815 1 764 . 1 . 1 206 206 ALA CA C 13 50.4539 0.0000 . 1 . . 52747 . . 206 ALA CA . 51815 1 765 . 1 . 1 206 206 ALA CB C 13 21.8061 0.0000 . 1 . . 58246 . . 206 ALA CB . 51815 1 766 . 1 . 1 206 206 ALA N N 15 120.8741 0.0000 . 1 . . 51573 . . 206 ALA N . 51815 1 767 . 1 . 1 207 207 LEU H H 1 9.1592 0.0000 . 1 . . 57929 . . 207 LEU H . 51815 1 768 . 1 . 1 207 207 LEU C C 13 177.6439 0.0000 . 1 . . 119288 . . 207 LEU C . 51815 1 769 . 1 . 1 207 207 LEU CA C 13 53.6417 0.0000 . 1 . . 57802 . . 207 LEU CA . 51815 1 770 . 1 . 1 207 207 LEU N N 15 122.0183 0.0000 . 1 . . 57930 . . 207 LEU N . 51815 1 771 . 1 . 1 208 208 GLY H H 1 8.5239 0.0000 . 1 . . 72605 . . 208 GLY H . 51815 1 772 . 1 . 1 208 208 GLY C C 13 173.9865 0.0000 . 1 . . 72616 . . 208 GLY C . 51815 1 773 . 1 . 1 208 208 GLY CA C 13 46.6075 0.0000 . 1 . . 72610 . . 208 GLY CA . 51815 1 774 . 1 . 1 208 208 GLY N N 15 111.1598 0.0000 . 1 . . 72606 . . 208 GLY N . 51815 1 775 . 1 . 1 209 209 PHE H H 1 7.4179 0.0000 . 1 . . 99050 . . 209 PHE H . 51815 1 776 . 1 . 1 209 209 PHE C C 13 174.7863 0.0000 . 1 . . 99064 . . 209 PHE C . 51815 1 777 . 1 . 1 209 209 PHE CA C 13 53.8738 0.0000 . 1 . . 99052 . . 209 PHE CA . 51815 1 778 . 1 . 1 209 209 PHE N N 15 112.6517 0.0000 . 1 . . 99051 . . 209 PHE N . 51815 1 779 . 1 . 1 210 210 TYR H H 1 8.9024 0.0000 . 1 . . 57803 . . 210 TYR H . 51815 1 780 . 1 . 1 210 210 TYR C C 13 174.7269 0.0000 . 1 . . 51541 . . 210 TYR C . 51815 1 781 . 1 . 1 210 210 TYR CA C 13 58.0640 0.0000 . 1 . . 57691 . . 210 TYR CA . 51815 1 782 . 1 . 1 210 210 TYR CB C 13 41.9861 0.0000 . 1 . . 57940 . . 210 TYR CB . 51815 1 783 . 1 . 1 210 210 TYR N N 15 120.3219 0.0000 . 1 . . 57804 . . 210 TYR N . 51815 1 784 . 1 . 1 211 211 PRO C C 13 174.8852 0.0000 . 1 . . 92486 . . 211 PRO C . 51815 1 785 . 1 . 1 211 211 PRO CA C 13 61.8448 0.0000 . 1 . . 92489 . . 211 PRO CA . 51815 1 786 . 1 . 1 211 211 PRO CB C 13 31.5146 0.0000 . 1 . . 92492 . . 211 PRO CB . 51815 1 787 . 1 . 1 212 212 ALA H H 1 8.0371 0.0000 . 1 . . 92469 . . 212 ALA H . 51815 1 788 . 1 . 1 212 212 ALA C C 13 177.9771 0.0000 . 1 . . 92480 . . 212 ALA C . 51815 1 789 . 1 . 1 212 212 ALA CA C 13 54.4708 0.0000 . 1 . . 92474 . . 212 ALA CA . 51815 1 790 . 1 . 1 212 212 ALA CB C 13 16.3466 0.0000 . 1 . . 92477 . . 212 ALA CB . 51815 1 791 . 1 . 1 212 212 ALA N N 15 119.4929 0.0000 . 1 . . 92470 . . 212 ALA N . 51815 1 792 . 1 . 1 213 213 GLU H H 1 7.3301 0.0000 . 1 . . 68103 . . 213 GLU H . 51815 1 793 . 1 . 1 213 213 GLU C C 13 173.7208 0.0000 . 1 . . 68117 . . 213 GLU C . 51815 1 794 . 1 . 1 213 213 GLU CA C 13 57.3906 0.0000 . 1 . . 68105 . . 213 GLU CA . 51815 1 795 . 1 . 1 213 213 GLU CB C 13 28.0144 0.0000 . 1 . . 68111 . . 213 GLU CB . 51815 1 796 . 1 . 1 213 213 GLU N N 15 119.0299 0.0000 . 1 . . 68104 . . 213 GLU N . 51815 1 797 . 1 . 1 214 214 ILE H H 1 7.3592 0.0000 . 1 . . 56765 . . 214 ILE H . 51815 1 798 . 1 . 1 214 214 ILE C C 13 172.6729 0.0000 . 1 . . 51094 . . 214 ILE C . 51815 1 799 . 1 . 1 214 214 ILE CA C 13 60.5032 0.0000 . 1 . . 52246 . . 214 ILE CA . 51815 1 800 . 1 . 1 214 214 ILE N N 15 124.5189 0.0000 . 1 . . 56766 . . 214 ILE N . 51815 1 801 . 1 . 1 215 215 THR H H 1 8.0953 0.0000 . 1 . . 57737 . . 215 THR H . 51815 1 802 . 1 . 1 215 215 THR C C 13 172.2985 0.0000 . 1 . . 51577 . . 215 THR C . 51815 1 803 . 1 . 1 215 215 THR CA C 13 61.7615 0.0000 . 1 . . 57649 . . 215 THR CA . 51815 1 804 . 1 . 1 215 215 THR CB C 13 70.2095 0.0000 . 1 . . 57586 . . 215 THR CB . 51815 1 805 . 1 . 1 215 215 THR N N 15 120.3749 0.0000 . 1 . . 57738 . . 215 THR N . 51815 1 806 . 1 . 1 216 216 LEU H H 1 8.5842 0.0000 . 1 . . 56423 . . 216 LEU H . 51815 1 807 . 1 . 1 216 216 LEU C C 13 175.3825 0.0000 . 1 . . 50881 . . 216 LEU C . 51815 1 808 . 1 . 1 216 216 LEU CA C 13 53.2657 0.0000 . 1 . . 56509 . . 216 LEU CA . 51815 1 809 . 1 . 1 216 216 LEU CB C 13 44.6818 0.0000 . 1 . . 56563 . . 216 LEU CB . 51815 1 810 . 1 . 1 216 216 LEU N N 15 128.4724 0.0000 . 1 . . 56424 . . 216 LEU N . 51815 1 811 . 1 . 1 217 217 THR H H 1 8.4757 0.0000 . 1 . . 58952 . . 217 THR H . 51815 1 812 . 1 . 1 217 217 THR C C 13 173.1306 0.0000 . 1 . . 51925 . . 217 THR C . 51815 1 813 . 1 . 1 217 217 THR CA C 13 59.6800 0.0000 . 1 . . 53089 . . 217 THR CA . 51815 1 814 . 1 . 1 217 217 THR CB C 13 71.6888 0.0000 . 1 . . 58957 . . 217 THR CB . 51815 1 815 . 1 . 1 217 217 THR N N 15 115.3566 0.0000 . 1 . . 58953 . . 217 THR N . 51815 1 816 . 1 . 1 218 218 TRP H H 1 9.0269 0.0000 . 1 . . 52427 . . 218 TRP H . 51815 1 817 . 1 . 1 218 218 TRP C C 13 175.8559 0.0000 . 1 . . 51256 . . 218 TRP C . 51815 1 818 . 1 . 1 218 218 TRP CA C 13 56.4240 0.0000 . 1 . . 52432 . . 218 TRP CA . 51815 1 819 . 1 . 1 218 218 TRP N N 15 122.4701 0.0000 . 1 . . 52428 . . 218 TRP N . 51815 1 820 . 1 . 1 219 219 GLN H H 1 9.8085 0.0000 . 1 . . 58361 . . 219 GLN H . 51815 1 821 . 1 . 1 219 219 GLN C C 13 174.9436 0.0000 . 1 . . 51628 . . 219 GLN C . 51815 1 822 . 1 . 1 219 219 GLN CA C 13 53.5149 0.0000 . 1 . . 52846 . . 219 GLN CA . 51815 1 823 . 1 . 1 219 219 GLN N N 15 119.3911 0.0000 . 1 . . 58362 . . 219 GLN N . 51815 1 824 . 1 . 1 220 220 ARG H H 1 8.4764 0.0000 . 1 . . 90647 . . 220 ARG H . 51815 1 825 . 1 . 1 220 220 ARG C C 13 176.4215 0.0000 . 1 . . 90658 . . 220 ARG C . 51815 1 826 . 1 . 1 220 220 ARG CA C 13 54.0245 0.0000 . 1 . . 90649 . . 220 ARG CA . 51815 1 827 . 1 . 1 220 220 ARG CB C 13 31.3410 0.0000 . 1 . . 90655 . . 220 ARG CB . 51815 1 828 . 1 . 1 220 220 ARG N N 15 121.2351 0.0000 . 1 . . 90648 . . 220 ARG N . 51815 1 829 . 1 . 1 221 221 ASP H H 1 9.2561 0.0000 . 1 . . 73324 . . 221 ASP H . 51815 1 830 . 1 . 1 221 221 ASP C C 13 176.0061 0.0000 . 1 . . 73344 . . 221 ASP C . 51815 1 831 . 1 . 1 221 221 ASP CA C 13 55.2112 0.0000 . 1 . . 73332 . . 221 ASP CA . 51815 1 832 . 1 . 1 221 221 ASP CB C 13 39.1786 0.0000 . 1 . . 73335 . . 221 ASP CB . 51815 1 833 . 1 . 1 221 221 ASP N N 15 129.5202 0.0000 . 1 . . 73325 . . 221 ASP N . 51815 1 834 . 1 . 1 222 222 GLY H H 1 8.4296 0.0000 . 1 . . 59462 . . 222 GLY H . 51815 1 835 . 1 . 1 222 222 GLY C C 13 173.4675 0.0000 . 1 . . 100039 . . 222 GLY C . 51815 1 836 . 1 . 1 222 222 GLY CA C 13 45.2185 0.0000 . 1 . . 100027 . . 222 GLY CA . 51815 1 837 . 1 . 1 222 222 GLY N N 15 103.5498 0.0000 . 1 . . 59463 . . 222 GLY N . 51815 1 838 . 1 . 1 223 223 GLU H H 1 7.7982 0.0000 . 1 . . 100022 . . 223 GLU H . 51815 1 839 . 1 . 1 223 223 GLU C C 13 177.0427 0.0000 . 1 . . 124324 . . 223 GLU C . 51815 1 840 . 1 . 1 223 223 GLU CA C 13 54.1300 0.0000 . 1 . . 124322 . . 223 GLU CA . 51815 1 841 . 1 . 1 223 223 GLU N N 15 119.8235 0.0000 . 1 . . 100023 . . 223 GLU N . 51815 1 842 . 1 . 1 224 224 ASP H H 1 8.9768 0.0000 . 1 . . 56675 . . 224 ASP H . 51815 1 843 . 1 . 1 224 224 ASP C C 13 176.7468 0.0000 . 1 . . 50866 . . 224 ASP C . 51815 1 844 . 1 . 1 224 224 ASP CA C 13 56.0138 0.0000 . 1 . . 52147 . . 224 ASP CA . 51815 1 845 . 1 . 1 224 224 ASP CB C 13 40.6895 0.0000 . 1 . . 56593 . . 224 ASP CB . 51815 1 846 . 1 . 1 224 224 ASP N N 15 128.1212 0.0000 . 1 . . 56676 . . 224 ASP N . 51815 1 847 . 1 . 1 225 225 GLN H H 1 8.8207 0.0000 . 1 . . 57137 . . 225 GLN H . 51815 1 848 . 1 . 1 225 225 GLN C C 13 177.6152 0.0000 . 1 . . 51118 . . 225 GLN C . 51815 1 849 . 1 . 1 225 225 GLN CA C 13 53.3391 0.0000 . 1 . . 52480 . . 225 GLN CA . 51815 1 850 . 1 . 1 225 225 GLN CB C 13 27.8959 0.0000 . 1 . . 57472 . . 225 GLN CB . 51815 1 851 . 1 . 1 225 225 GLN N N 15 123.4289 0.0000 . 1 . . 57138 . . 225 GLN N . 51815 1 852 . 1 . 1 226 226 THR H H 1 8.3145 0.0000 . 1 . . 127283 . . 226 THR H . 51815 1 853 . 1 . 1 226 226 THR CA C 13 65.6555 0.0000 . 1 . . 127285 . . 226 THR CA . 51815 1 854 . 1 . 1 226 226 THR CB C 13 68.3609 0.0000 . 1 . . 127291 . . 226 THR CB . 51815 1 855 . 1 . 1 226 226 THR N N 15 118.9817 0.0000 . 1 . . 127284 . . 226 THR N . 51815 1 856 . 1 . 1 227 227 GLN H H 1 8.6724 0.0000 . 1 . . 51455 . . 227 GLN H . 51815 1 857 . 1 . 1 227 227 GLN C C 13 176.0589 0.0000 . 1 . . 51499 . . 227 GLN C . 51815 1 858 . 1 . 1 227 227 GLN CA C 13 57.2835 0.0000 . 1 . . 52627 . . 227 GLN CA . 51815 1 859 . 1 . 1 227 227 GLN CB C 13 27.5333 0.0000 . 1 . . 58234 . . 227 GLN CB . 51815 1 860 . 1 . 1 227 227 GLN N N 15 120.8224 0.0000 . 1 . . 51456 . . 227 GLN N . 51815 1 861 . 1 . 1 228 228 ASP H H 1 7.8546 0.0000 . 1 . . 58886 . . 228 ASP H . 51815 1 862 . 1 . 1 228 228 ASP C C 13 175.3472 0.0000 . 1 . . 129907 . . 228 ASP C . 51815 1 863 . 1 . 1 228 228 ASP N N 15 117.8362 0.0000 . 1 . . 58887 . . 228 ASP N . 51815 1 864 . 1 . 1 229 229 THR H H 1 7.4999 0.0000 . 1 . . 99225 . . 229 THR H . 51815 1 865 . 1 . 1 229 229 THR C C 13 173.7274 0.0000 . 1 . . 129917 . . 229 THR C . 51815 1 866 . 1 . 1 229 229 THR CA C 13 62.0874 0.0000 . 1 . . 55594 . . 229 THR CA . 51815 1 867 . 1 . 1 229 229 THR CB C 13 69.9791 0.0000 . 1 . . 129913 . . 229 THR CB . 51815 1 868 . 1 . 1 229 229 THR N N 15 115.8848 0.0000 . 1 . . 99226 . . 229 THR N . 51815 1 869 . 1 . 1 230 230 GLU H H 1 9.3938 0.0000 . 1 . . 56414 . . 230 GLU H . 51815 1 870 . 1 . 1 230 230 GLU C C 13 174.3309 0.0000 . 1 . . 126290 . . 230 GLU C . 51815 1 871 . 1 . 1 230 230 GLU CA C 13 55.0170 0.0000 . 1 . . 126267 . . 230 GLU CA . 51815 1 872 . 1 . 1 230 230 GLU CB C 13 30.4419 0.0000 . 1 . . 126286 . . 230 GLU CB . 51815 1 873 . 1 . 1 230 230 GLU N N 15 129.2354 0.0000 . 1 . . 56415 . . 230 GLU N . 51815 1 874 . 1 . 1 231 231 LEU H H 1 8.6809 0.0000 . 1 . . 56600 . . 231 LEU H . 51815 1 875 . 1 . 1 231 231 LEU C C 13 176.8542 0.0000 . 1 . . 126174 . . 231 LEU C . 51815 1 876 . 1 . 1 231 231 LEU CA C 13 53.3875 0.0000 . 1 . . 126168 . . 231 LEU CA . 51815 1 877 . 1 . 1 231 231 LEU CB C 13 44.2158 0.0000 . 1 . . 126172 . . 231 LEU CB . 51815 1 878 . 1 . 1 231 231 LEU N N 15 128.0587 0.0000 . 1 . . 56601 . . 231 LEU N . 51815 1 879 . 1 . 1 232 232 VAL H H 1 6.5299 0.0000 . 1 . . 59030 . . 232 VAL H . 51815 1 880 . 1 . 1 232 232 VAL C C 13 175.6823 0.0000 . 1 . . 51904 . . 232 VAL C . 51815 1 881 . 1 . 1 232 232 VAL CA C 13 58.7672 0.0000 . 1 . . 52981 . . 232 VAL CA . 51815 1 882 . 1 . 1 232 232 VAL CB C 13 31.5884 0.0000 . 1 . . 59131 . . 232 VAL CB . 51815 1 883 . 1 . 1 232 232 VAL N N 15 115.9864 0.0000 . 1 . . 59031 . . 232 VAL N . 51815 1 884 . 1 . 1 233 233 GLU H H 1 8.1904 0.0000 . 1 . . 57170 . . 233 GLU H . 51815 1 885 . 1 . 1 233 233 GLU C C 13 175.8251 0.0000 . 1 . . 51148 . . 233 GLU C . 51815 1 886 . 1 . 1 233 233 GLU CA C 13 56.1716 0.0000 . 1 . . 57190 . . 233 GLU CA . 51815 1 887 . 1 . 1 233 233 GLU CB C 13 28.7308 0.0000 . 1 . . 57493 . . 233 GLU CB . 51815 1 888 . 1 . 1 233 233 GLU N N 15 123.7670 0.0000 . 1 . . 57171 . . 233 GLU N . 51815 1 889 . 1 . 1 234 234 THR H H 1 8.5816 0.0000 . 1 . . 57482 . . 234 THR H . 51815 1 890 . 1 . 1 234 234 THR CA C 13 64.2124 0.0000 . 1 . . 52348 . . 234 THR CA . 51815 1 891 . 1 . 1 234 234 THR CB C 13 68.1384 0.0000 . 1 . . 126140 . . 234 THR CB . 51815 1 892 . 1 . 1 234 234 THR N N 15 122.3227 0.0000 . 1 . . 57483 . . 234 THR N . 51815 1 893 . 1 . 1 235 235 ARG H H 1 8.8292 0.0000 . 1 . . 56684 . . 235 ARG H . 51815 1 894 . 1 . 1 235 235 ARG C C 13 172.3534 0.0000 . 1 . . 51091 . . 235 ARG C . 51815 1 895 . 1 . 1 235 235 ARG CA C 13 50.4330 0.0000 . 1 . . 56848 . . 235 ARG CA . 51815 1 896 . 1 . 1 235 235 ARG CB C 13 29.8511 0.0000 . 1 . . 56932 . . 235 ARG CB . 51815 1 897 . 1 . 1 235 235 ARG N N 15 124.7163 0.0000 . 1 . . 56685 . . 235 ARG N . 51815 1 898 . 1 . 1 236 236 PRO C C 13 177.3694 0.0000 . 1 . . 59665 . . 236 PRO C . 51815 1 899 . 1 . 1 236 236 PRO CA C 13 61.0679 0.0000 . 1 . . 52219 . . 236 PRO CA . 51815 1 900 . 1 . 1 237 237 ALA H H 1 8.8352 0.0000 . 1 . . 56792 . . 237 ALA H . 51815 1 901 . 1 . 1 237 237 ALA C C 13 178.0171 0.0000 . 1 . . 51031 . . 237 ALA C . 51815 1 902 . 1 . 1 237 237 ALA CA C 13 52.9829 0.0000 . 1 . . 56794 . . 237 ALA CA . 51815 1 903 . 1 . 1 237 237 ALA N N 15 125.1020 0.0000 . 1 . . 56793 . . 237 ALA N . 51815 1 904 . 1 . 1 238 238 GLY H H 1 8.4622 0.0000 . 1 . . 59444 . . 238 GLY H . 51815 1 905 . 1 . 1 238 238 GLY CA C 13 43.7914 0.0000 . 1 . . 53245 . . 238 GLY CA . 51815 1 906 . 1 . 1 238 238 GLY N N 15 106.3563 0.0000 . 1 . . 59445 . . 238 GLY N . 51815 1 907 . 1 . 1 239 239 ASP H H 1 7.4483 0.0000 . 1 . . 119180 . . 239 ASP H . 51815 1 908 . 1 . 1 239 239 ASP C C 13 175.5192 0.0000 . 1 . . 119191 . . 239 ASP C . 51815 1 909 . 1 . 1 239 239 ASP CA C 13 51.3074 0.0000 . 1 . . 119182 . . 239 ASP CA . 51815 1 910 . 1 . 1 239 239 ASP N N 15 120.0242 0.0000 . 1 . . 119181 . . 239 ASP N . 51815 1 911 . 1 . 1 240 240 ARG H H 1 7.9711 0.0000 . 1 . . 86732 . . 240 ARG H . 51815 1 912 . 1 . 1 240 240 ARG C C 13 175.4051 0.0000 . 1 . . 86737 . . 240 ARG C . 51815 1 913 . 1 . 1 240 240 ARG CA C 13 58.3902 0.0000 . 1 . . 86734 . . 240 ARG CA . 51815 1 914 . 1 . 1 240 240 ARG N N 15 115.7643 0.0000 . 1 . . 86733 . . 240 ARG N . 51815 1 915 . 1 . 1 241 241 THR H H 1 7.3449 0.0000 . 1 . . 123567 . . 241 THR H . 51815 1 916 . 1 . 1 241 241 THR C C 13 174.0998 0.0000 . 1 . . 60331 . . 241 THR C . 51815 1 917 . 1 . 1 241 241 THR CA C 13 60.4158 0.0000 . 1 . . 56023 . . 241 THR CA . 51815 1 918 . 1 . 1 241 241 THR CB C 13 71.3708 0.0000 . 1 . . 97021 . . 241 THR CB . 51815 1 919 . 1 . 1 241 241 THR N N 15 108.0130 0.0000 . 1 . . 123568 . . 241 THR N . 51815 1 920 . 1 . 1 242 242 PHE H H 1 8.6457 0.0000 . 1 . . 58316 . . 242 PHE H . 51815 1 921 . 1 . 1 242 242 PHE C C 13 172.1361 0.0000 . 1 . . 51664 . . 242 PHE C . 51815 1 922 . 1 . 1 242 242 PHE CA C 13 57.1397 0.0000 . 1 . . 58318 . . 242 PHE CA . 51815 1 923 . 1 . 1 242 242 PHE N N 15 119.9121 0.0000 . 1 . . 58317 . . 242 PHE N . 51815 1 924 . 1 . 1 243 243 GLN H H 1 8.5614 0.0000 . 1 . . 53192 . . 243 GLN H . 51815 1 925 . 1 . 1 243 243 GLN C C 13 175.6493 0.0000 . 1 . . 123593 . . 243 GLN C . 51815 1 926 . 1 . 1 243 243 GLN CA C 13 52.7453 0.0000 . 1 . . 84115 . . 243 GLN CA . 51815 1 927 . 1 . 1 243 243 GLN N N 15 111.6606 0.0000 . 1 . . 53193 . . 243 GLN N . 51815 1 928 . 1 . 1 244 244 LYS H H 1 9.4963 0.0000 . 1 . . 84095 . . 244 LYS H . 51815 1 929 . 1 . 1 244 244 LYS C C 13 172.1167 0.0000 . 1 . . 84109 . . 244 LYS C . 51815 1 930 . 1 . 1 244 244 LYS CA C 13 56.9543 0.0000 . 1 . . 84097 . . 244 LYS CA . 51815 1 931 . 1 . 1 244 244 LYS CB C 13 37.1242 0.0000 . 1 . . 84103 . . 244 LYS CB . 51815 1 932 . 1 . 1 244 244 LYS N N 15 120.5165 0.0000 . 1 . . 84096 . . 244 LYS N . 51815 1 933 . 1 . 1 245 245 TRP H H 1 6.1447 0.0000 . 1 . . 56165 . . 245 TRP H . 51815 1 934 . 1 . 1 245 245 TRP C C 13 174.0503 0.0000 . 1 . . 60334 . . 245 TRP C . 51815 1 935 . 1 . 1 245 245 TRP CA C 13 54.6359 0.0000 . 1 . . 56071 . . 245 TRP CA . 51815 1 936 . 1 . 1 245 245 TRP N N 15 116.2802 0.0000 . 1 . . 56166 . . 245 TRP N . 51815 1 937 . 1 . 1 246 246 ALA H H 1 8.5980 0.0000 . 1 . . 58322 . . 246 ALA H . 51815 1 938 . 1 . 1 246 246 ALA C C 13 177.5502 0.0000 . 1 . . 51691 . . 246 ALA C . 51815 1 939 . 1 . 1 246 246 ALA CA C 13 50.1039 0.0000 . 1 . . 58453 . . 246 ALA CA . 51815 1 940 . 1 . 1 246 246 ALA N N 15 119.0942 0.0000 . 1 . . 58323 . . 246 ALA N . 51815 1 941 . 1 . 1 247 247 ALA H H 1 10.6462 0.0000 . 1 . . 56357 . . 247 ALA H . 51815 1 942 . 1 . 1 247 247 ALA C C 13 174.6900 0.0000 . 1 . . 50830 . . 247 ALA C . 51815 1 943 . 1 . 1 247 247 ALA CA C 13 50.7613 0.0000 . 1 . . 56359 . . 247 ALA CA . 51815 1 944 . 1 . 1 247 247 ALA CB C 13 23.3732 0.0000 . 1 . . 56368 . . 247 ALA CB . 51815 1 945 . 1 . 1 247 247 ALA N N 15 131.5335 0.0000 . 1 . . 56358 . . 247 ALA N . 51815 1 946 . 1 . 1 248 248 VAL H H 1 8.2107 0.0000 . 1 . . 52964 . . 248 VAL H . 51815 1 947 . 1 . 1 248 248 VAL C C 13 172.5133 0.0000 . 1 . . 51805 . . 248 VAL C . 51815 1 948 . 1 . 1 248 248 VAL CA C 13 58.9591 0.0000 . 1 . . 58795 . . 248 VAL CA . 51815 1 949 . 1 . 1 248 248 VAL CB C 13 34.5126 0.0000 . 1 . . 58912 . . 248 VAL CB . 51815 1 950 . 1 . 1 248 248 VAL N N 15 117.4281 0.0000 . 1 . . 52965 . . 248 VAL N . 51815 1 951 . 1 . 1 249 249 VAL H H 1 8.0584 0.0000 . 1 . . 123650 . . 249 VAL H . 51815 1 952 . 1 . 1 249 249 VAL C C 13 175.9175 0.0000 . 1 . . 50986 . . 249 VAL C . 51815 1 953 . 1 . 1 249 249 VAL CA C 13 62.0277 0.0000 . 1 . . 56710 . . 249 VAL CA . 51815 1 954 . 1 . 1 249 249 VAL CB C 13 30.4480 0.0000 . 1 . . 56962 . . 249 VAL CB . 51815 1 955 . 1 . 1 249 249 VAL N N 15 125.6897 0.0000 . 1 . . 123651 . . 249 VAL N . 51815 1 956 . 1 . 1 250 250 VAL H H 1 9.0782 0.0000 . 1 . . 57458 . . 250 VAL H . 51815 1 957 . 1 . 1 250 250 VAL C C 13 172.3208 0.0000 . 1 . . 51199 . . 250 VAL C . 51815 1 958 . 1 . 1 250 250 VAL CA C 13 56.5019 0.0000 . 1 . . 57121 . . 250 VAL CA . 51815 1 959 . 1 . 1 250 250 VAL CB C 13 31.7465 0.0000 . 1 . . 57460 . . 250 VAL CB . 51815 1 960 . 1 . 1 250 250 VAL N N 15 123.7983 0.0000 . 1 . . 57459 . . 250 VAL N . 51815 1 961 . 1 . 1 251 251 PRO C C 13 177.6328 0.0000 . 1 . . 71689 . . 251 PRO C . 51815 1 962 . 1 . 1 251 251 PRO CA C 13 60.9695 0.0000 . 1 . . 71677 . . 251 PRO CA . 51815 1 963 . 1 . 1 251 251 PRO CB C 13 30.7953 0.0000 . 1 . . 71683 . . 251 PRO CB . 51815 1 964 . 1 . 1 252 252 SER H H 1 7.9176 0.0000 . 1 . . 71669 . . 252 SER H . 51815 1 965 . 1 . 1 252 252 SER C C 13 176.0750 0.0000 . 1 . . 60070 . . 252 SER C . 51815 1 966 . 1 . 1 252 252 SER CA C 13 59.3557 0.0000 . 1 . . 56143 . . 252 SER CA . 51815 1 967 . 1 . 1 252 252 SER CB C 13 62.1785 0.0000 . 1 . . 71674 . . 252 SER CB . 51815 1 968 . 1 . 1 252 252 SER N N 15 120.1597 0.0000 . 1 . . 71670 . . 252 SER N . 51815 1 969 . 1 . 1 253 253 GLY H H 1 9.4033 0.0000 . 1 . . 58862 . . 253 GLY H . 51815 1 970 . 1 . 1 253 253 GLY C C 13 175.5311 0.0000 . 1 . . 51775 . . 253 GLY C . 51815 1 971 . 1 . 1 253 253 GLY CA C 13 44.9344 0.0000 . 1 . . 58864 . . 253 GLY CA . 51815 1 972 . 1 . 1 253 253 GLY N N 15 117.2961 0.0000 . 1 . . 58863 . . 253 GLY N . 51815 1 973 . 1 . 1 254 254 GLU H H 1 8.0560 0.0000 . 1 . . 58484 . . 254 GLU H . 51815 1 974 . 1 . 1 254 254 GLU C C 13 177.3774 0.0000 . 1 . . 51595 . . 254 GLU C . 51815 1 975 . 1 . 1 254 254 GLU CA C 13 55.3868 0.0000 . 1 . . 85615 . . 254 GLU CA . 51815 1 976 . 1 . 1 254 254 GLU N N 15 119.5338 0.0000 . 1 . . 58485 . . 254 GLU N . 51815 1 977 . 1 . 1 255 255 GLU H H 1 10.2654 0.0000 . 1 . . 51467 . . 255 GLU H . 51815 1 978 . 1 . 1 255 255 GLU C C 13 178.7968 0.0000 . 1 . . 51469 . . 255 GLU C . 51815 1 979 . 1 . 1 255 255 GLU CA C 13 61.9543 0.0000 . 1 . . 52555 . . 255 GLU CA . 51815 1 980 . 1 . 1 255 255 GLU CB C 13 28.7808 0.0000 . 1 . . 58132 . . 255 GLU CB . 51815 1 981 . 1 . 1 255 255 GLU N N 15 120.9917 0.0000 . 1 . . 51468 . . 255 GLU N . 51815 1 982 . 1 . 1 256 256 GLN H H 1 8.9820 0.0000 . 1 . . 58997 . . 256 GLN H . 51815 1 983 . 1 . 1 256 256 GLN C C 13 176.9637 0.0000 . 1 . . 51934 . . 256 GLN C . 51815 1 984 . 1 . 1 256 256 GLN CA C 13 57.3112 0.0000 . 1 . . 53095 . . 256 GLN CA . 51815 1 985 . 1 . 1 256 256 GLN CB C 13 26.7313 0.0000 . 1 . . 59134 . . 256 GLN CB . 51815 1 986 . 1 . 1 256 256 GLN N N 15 114.4547 0.0000 . 1 . . 58998 . . 256 GLN N . 51815 1 987 . 1 . 1 257 257 ARG H H 1 8.1841 0.0000 . 1 . . 58634 . . 257 ARG H . 51815 1 988 . 1 . 1 257 257 ARG C C 13 176.1670 0.0000 . 1 . . 51712 . . 257 ARG C . 51815 1 989 . 1 . 1 257 257 ARG CA C 13 56.5479 0.0000 . 1 . . 52807 . . 257 ARG CA . 51815 1 990 . 1 . 1 257 257 ARG CB C 13 29.9130 0.0000 . 1 . . 77627 . . 257 ARG CB . 51815 1 991 . 1 . 1 257 257 ARG N N 15 118.3927 0.0000 . 1 . . 58635 . . 257 ARG N . 51815 1 992 . 1 . 1 258 258 TYR H H 1 7.9497 0.0000 . 1 . . 55955 . . 258 TYR H . 51815 1 993 . 1 . 1 258 258 TYR C C 13 176.2131 0.0000 . 1 . . 51511 . . 258 TYR C . 51815 1 994 . 1 . 1 258 258 TYR CA C 13 57.1980 0.0000 . 1 . . 52636 . . 258 TYR CA . 51815 1 995 . 1 . 1 258 258 TYR CB C 13 39.3390 0.0000 . 1 . . 58078 . . 258 TYR CB . 51815 1 996 . 1 . 1 258 258 TYR N N 15 120.4921 0.0000 . 1 . . 55956 . . 258 TYR N . 51815 1 997 . 1 . 1 259 259 THR H H 1 9.2782 0.0000 . 1 . . 59168 . . 259 THR H . 51815 1 998 . 1 . 1 259 259 THR C C 13 172.2254 0.0000 . 1 . . 119310 . . 259 THR C . 51815 1 999 . 1 . 1 259 259 THR CA C 13 58.7797 0.0000 . 1 . . 119301 . . 259 THR CA . 51815 1 1000 . 1 . 1 259 259 THR N N 15 113.1189 0.0000 . 1 . . 59169 . . 259 THR N . 51815 1 1001 . 1 . 1 260 260 CYS H H 1 9.0621 0.0000 . 1 . . 56783 . . 260 CYS H . 51815 1 1002 . 1 . 1 260 260 CYS C C 13 172.1973 0.0000 . 1 . . 51097 . . 260 CYS C . 51815 1 1003 . 1 . 1 260 260 CYS CA C 13 51.4353 0.0000 . 1 . . 56785 . . 260 CYS CA . 51815 1 1004 . 1 . 1 260 260 CYS CB C 13 40.2953 0.0000 . 1 . . 56878 . . 260 CYS CB . 51815 1 1005 . 1 . 1 260 260 CYS N N 15 125.0990 0.0000 . 1 . . 56784 . . 260 CYS N . 51815 1 1006 . 1 . 1 261 261 HIS H H 1 9.1827 0.0000 . 1 . . 52160 . . 261 HIS H . 51815 1 1007 . 1 . 1 261 261 HIS C C 13 174.4621 0.0000 . 1 . . 119256 . . 261 HIS C . 51815 1 1008 . 1 . 1 261 261 HIS CA C 13 53.9733 0.0000 . 1 . . 52165 . . 261 HIS CA . 51815 1 1009 . 1 . 1 261 261 HIS N N 15 128.6342 0.0000 . 1 . . 52161 . . 261 HIS N . 51815 1 1010 . 1 . 1 262 262 VAL H H 1 8.4285 0.0000 . 1 . . 52274 . . 262 VAL H . 51815 1 1011 . 1 . 1 262 262 VAL C C 13 174.1421 0.0000 . 1 . . 119252 . . 262 VAL C . 51815 1 1012 . 1 . 1 262 262 VAL CA C 13 56.1375 0.0000 . 1 . . 52276 . . 262 VAL CA . 51815 1 1013 . 1 . 1 262 262 VAL N N 15 125.1288 0.0000 . 1 . . 52275 . . 262 VAL N . 51815 1 1014 . 1 . 1 263 263 GLN H H 1 8.4262 0.0000 . 1 . . . . . 263 GLN H . 51815 1 1015 . 1 . 1 263 263 GLN C C 13 173.7177 0.0000 . 1 . . . . . 263 GLN C . 51815 1 1016 . 1 . 1 263 263 GLN N N 15 124.6638 0.0000 . 1 . . . . . 263 GLN N . 51815 1 1017 . 1 . 1 264 264 HIS H H 1 8.0174 0.0000 . 1 . . . . . 264 HIS H . 51815 1 1018 . 1 . 1 264 264 HIS C C 13 175.0047 0.0000 . 1 . . . . . 264 HIS C . 51815 1 1019 . 1 . 1 264 264 HIS N N 15 122.9964 0.0000 . 1 . . . . . 264 HIS N . 51815 1 1020 . 1 . 1 265 265 GLU H H 1 8.2150 0.0000 . 1 . . . . . 265 GLU H . 51815 1 1021 . 1 . 1 265 265 GLU C C 13 176.9430 0.0000 . 1 . . . . . 265 GLU C . 51815 1 1022 . 1 . 1 265 265 GLU N N 15 127.1032 0.0000 . 1 . . . . . 265 GLU N . 51815 1 1023 . 1 . 1 266 266 GLY H H 1 10.5982 0.0000 . 1 . . . . . 266 GLY H . 51815 1 1024 . 1 . 1 266 266 GLY C C 13 173.1720 0.0000 . 1 . . . . . 266 GLY C . 51815 1 1025 . 1 . 1 266 266 GLY N N 15 110.7440 0.0000 . 1 . . . . . 266 GLY N . 51815 1 1026 . 1 . 1 267 267 LEU H H 1 7.9741 0.0000 . 1 . . . . . 267 LEU H . 51815 1 1027 . 1 . 1 267 267 LEU N N 15 122.1404 0.0000 . 1 . . . . . 267 LEU N . 51815 1 1028 . 1 . 1 271 271 LEU C C 13 176.6386 0.0000 . 1 . . 78729 . . 271 LEU C . 51815 1 1029 . 1 . 1 271 271 LEU CA C 13 53.2474 0.0000 . 1 . . 78708 . . 271 LEU CA . 51815 1 1030 . 1 . 1 271 271 LEU CB C 13 44.5056 0.0000 . 1 . . . . . 271 LEU CB . 51815 1 1031 . 1 . 1 272 272 THR H H 1 8.2668 0.0000 . 1 . . 78703 . . 272 THR H . 51815 1 1032 . 1 . 1 272 272 THR C C 13 173.5725 0.0000 . 1 . . 78726 . . 272 THR C . 51815 1 1033 . 1 . 1 272 272 THR CA C 13 61.0110 0.0000 . 1 . . 78705 . . 272 THR CA . 51815 1 1034 . 1 . 1 272 272 THR CB C 13 69.6174 0.0000 . 1 . . 78711 . . 272 THR CB . 51815 1 1035 . 1 . 1 272 272 THR N N 15 117.8706 0.0000 . 1 . . 78704 . . 272 THR N . 51815 1 1036 . 1 . 1 273 273 LEU H H 1 9.3412 0.0000 . 1 . . 56477 . . 273 LEU H . 51815 1 1037 . 1 . 1 273 273 LEU C C 13 174.9444 0.0000 . 1 . . 50959 . . 273 LEU C . 51815 1 1038 . 1 . 1 273 273 LEU CA C 13 54.1522 0.0000 . 1 . . 56479 . . 273 LEU CA . 51815 1 1039 . 1 . 1 273 273 LEU CB C 13 44.2141 0.0000 . 1 . . 56554 . . 273 LEU CB . 51815 1 1040 . 1 . 1 273 273 LEU N N 15 126.9894 0.0000 . 1 . . 56478 . . 273 LEU N . 51815 1 1041 . 1 . 1 274 274 ARG H H 1 8.3736 0.0000 . 1 . . 58565 . . 274 ARG H . 51815 1 1042 . 1 . 1 274 274 ARG C C 13 175.0844 0.0000 . 1 . . 92228 . . 274 ARG C . 51815 1 1043 . 1 . 1 274 274 ARG CA C 13 53.9517 0.0000 . 1 . . 52861 . . 274 ARG CA . 51815 1 1044 . 1 . 1 274 274 ARG CB C 13 33.3994 0.0000 . 1 . . 58567 . . 274 ARG CB . 51815 1 1045 . 1 . 1 274 274 ARG N N 15 118.4809 0.0000 . 1 . . 58566 . . 274 ARG N . 51815 1 1046 . 1 . 1 275 275 TRP H H 1 9.6515 0.0000 . 1 . . 55823 . . 275 TRP H . 51815 1 1047 . 1 . 1 275 275 TRP C C 13 174.6556 0.0000 . 1 . . 51169 . . 275 TRP C . 51815 1 1048 . 1 . 1 275 275 TRP CA C 13 57.7357 0.0000 . 1 . . 57115 . . 275 TRP CA . 51815 1 1049 . 1 . 1 275 275 TRP CB C 13 28.4513 0.0000 . 1 . . 57457 . . 275 TRP CB . 51815 1 1050 . 1 . 1 275 275 TRP N N 15 123.5118 0.0000 . 1 . . 55824 . . 275 TRP N . 51815 1 1051 . 1 . 1 276 276 GLU H H 1 7.6821 0.0000 . 1 . . 50882 . . 276 GLU H . 51815 1 1052 . 1 . 1 276 276 GLU C C 13 172.9429 0.0000 . 1 . . 50911 . . 276 GLU C . 51815 1 1053 . 1 . 1 276 276 GLU CA C 13 52.1712 0.0000 . 1 . . 56548 . . 276 GLU CA . 51815 1 1054 . 1 . 1 276 276 GLU CB C 13 29.6269 0.0000 . 1 . . 56650 . . 276 GLU CB . 51815 1 1055 . 1 . 1 276 276 GLU N N 15 128.2795 0.0000 . 1 . . 50883 . . 276 GLU N . 51815 1 1056 . 1 . 1 277 277 PRO C C 13 177.2594 0.0000 . 1 . . 72239 . . 277 PRO C . 51815 1 1057 . 1 . 1 277 277 PRO CA C 13 62.3525 0.0000 . 1 . . 72242 . . 277 PRO CA . 51815 1 1058 . 1 . 1 277 277 PRO CB C 13 30.5912 0.0000 . 1 . . 72248 . . 277 PRO CB . 51815 1 1059 . 1 . 1 278 278 SER H H 1 8.1146 0.0000 . 1 . . 72228 . . 278 SER H . 51815 1 1060 . 1 . 1 278 278 SER C C 13 174.5591 0.0000 . 1 . . 72236 . . 278 SER C . 51815 1 1061 . 1 . 1 278 278 SER CA C 13 58.1167 0.0000 . 1 . . 72230 . . 278 SER CA . 51815 1 1062 . 1 . 1 278 278 SER CB C 13 62.9803 0.0000 . 1 . . 72233 . . 278 SER CB . 51815 1 1063 . 1 . 1 278 278 SER N N 15 115.1832 0.0000 . 1 . . 72229 . . 278 SER N . 51815 1 1064 . 1 . 1 279 279 SER H H 1 8.1883 0.0000 . 1 . . 91728 . . 279 SER H . 51815 1 1065 . 1 . 1 279 279 SER C C 13 175.9465 0.0000 . 1 . . 91745 . . 279 SER C . 51815 1 1066 . 1 . 1 279 279 SER CA C 13 55.5116 0.0000 . 1 . . 91730 . . 279 SER CA . 51815 1 1067 . 1 . 1 279 279 SER N N 15 122.0798 0.0000 . 1 . . 91729 . . 279 SER N . 51815 1 1068 . 1 . 1 280 280 GLN H H 1 8.3318 0.0000 . 1 . . 123934 . . 280 GLN H . 51815 1 1069 . 1 . 1 280 280 GLN C C 13 174.4561 0.0000 . 1 . . 123948 . . 280 GLN C . 51815 1 1070 . 1 . 1 280 280 GLN CA C 13 53.8231 0.0000 . 1 . . 123939 . . 280 GLN CA . 51815 1 1071 . 1 . 1 280 280 GLN CB C 13 30.4541 0.0000 . 1 . . 123942 . . 280 GLN CB . 51815 1 1072 . 1 . 1 280 280 GLN N N 15 124.3262 0.0000 . 1 . . 123935 . . 280 GLN N . 51815 1 1073 . 1 . 1 281 281 SER C C 13 174.5767 0.0000 . 1 . . 86183 . . 281 SER C . 51815 1 1074 . 1 . 1 281 281 SER CA C 13 57.9021 0.0000 . 1 . . 86174 . . 281 SER CA . 51815 1 1075 . 1 . 1 281 281 SER CB C 13 63.1403 0.0000 . 1 . . 86189 . . 281 SER CB . 51815 1 1076 . 1 . 1 282 282 THR H H 1 8.1419 0.0000 . 1 . . 86169 . . 282 THR H . 51815 1 1077 . 1 . 1 282 282 THR C C 13 174.3116 0.0000 . 1 . . 86180 . . 282 THR C . 51815 1 1078 . 1 . 1 282 282 THR CA C 13 61.4340 0.0000 . 1 . . 86171 . . 282 THR CA . 51815 1 1079 . 1 . 1 282 282 THR CB C 13 69.0425 0.0000 . 1 . . 86195 . . 282 THR CB . 51815 1 1080 . 1 . 1 282 282 THR N N 15 116.6905 0.0000 . 1 . . 86170 . . 282 THR N . 51815 1 1081 . 1 . 1 283 283 VAL H H 1 8.0815 0.0000 . 1 . . 57485 . . 283 VAL H . 51815 1 1082 . 1 . 1 283 283 VAL C C 13 174.3318 0.0000 . 1 . . 51181 . . 283 VAL C . 51815 1 1083 . 1 . 1 283 283 VAL CA C 13 59.4896 0.0000 . 1 . . 52240 . . 283 VAL CA . 51815 1 1084 . 1 . 1 283 283 VAL CB C 13 31.6982 0.0000 . 1 . . 57487 . . 283 VAL CB . 51815 1 1085 . 1 . 1 283 283 VAL N N 15 124.4277 0.0000 . 1 . . 57486 . . 283 VAL N . 51815 1 1086 . 1 . 1 284 284 PRO C C 13 176.6693 0.0000 . 1 . . 59818 . . 284 PRO C . 51815 1 1087 . 1 . 1 284 284 PRO CA C 13 62.5524 0.0000 . 1 . . 57631 . . 284 PRO CA . 51815 1 1088 . 1 . 1 284 284 PRO CB C 13 31.0754 0.0000 . 1 . . 55048 . . 284 PRO CB . 51815 1 1089 . 1 . 1 285 285 ILE H H 1 8.1561 0.0000 . 1 . . 58028 . . 285 ILE H . 51815 1 1090 . 1 . 1 285 285 ILE C C 13 176.4170 0.0000 . 1 . . 51394 . . 285 ILE C . 51815 1 1091 . 1 . 1 285 285 ILE CA C 13 60.7112 0.0000 . 1 . . 76482 . . 285 ILE CA . 51815 1 1092 . 1 . 1 285 285 ILE CB C 13 37.5739 0.0000 . 1 . . 58036 . . 285 ILE CB . 51815 1 1093 . 1 . 1 285 285 ILE N N 15 122.0750 0.0000 . 1 . . 58029 . . 285 ILE N . 51815 1 1094 . 1 . 1 286 286 VAL H H 1 8.1201 0.0000 . 1 . . 74474 . . 286 VAL H . 51815 1 1095 . 1 . 1 286 286 VAL C C 13 176.4711 0.0000 . 1 . . 74491 . . 286 VAL C . 51815 1 1096 . 1 . 1 286 286 VAL CA C 13 62.0268 0.0000 . 1 . . 74482 . . 286 VAL CA . 51815 1 1097 . 1 . 1 286 286 VAL CB C 13 31.8548 0.0000 . 1 . . 74488 . . 286 VAL CB . 51815 1 1098 . 1 . 1 286 286 VAL N N 15 124.9492 0.0000 . 1 . . 74475 . . 286 VAL N . 51815 1 1099 . 1 . 1 287 287 GLY H H 1 8.3976 0.0000 . 1 . . 59246 . . 287 GLY H . 51815 1 1100 . 1 . 1 287 287 GLY C C 13 174.3114 0.0000 . 1 . . 51982 . . 287 GLY C . 51815 1 1101 . 1 . 1 287 287 GLY CA C 13 44.8054 0.0000 . 1 . . 53176 . . 287 GLY CA . 51815 1 1102 . 1 . 1 287 287 GLY N N 15 112.9809 0.0000 . 1 . . 59247 . . 287 GLY N . 51815 1 1103 . 1 . 1 288 288 THR H H 1 8.0873 0.0000 . 1 . . 98249 . . 288 THR H . 51815 1 1104 . 1 . 1 288 288 THR C C 13 175.3735 0.0000 . 1 . . 98275 . . 288 THR C . 51815 1 1105 . 1 . 1 288 288 THR CA C 13 61.5575 0.0000 . 1 . . 98296 . . 288 THR CA . 51815 1 1106 . 1 . 1 288 288 THR CB C 13 69.4646 0.0000 . 1 . . 98251 . . 288 THR CB . 51815 1 1107 . 1 . 1 288 288 THR N N 15 113.4966 0.0000 . 1 . . 98250 . . 288 THR N . 51815 1 1108 . 1 . 1 289 289 GLY H H 1 8.4822 0.0000 . 1 . . 87529 . . 289 GLY H . 51815 1 1109 . 1 . 1 289 289 GLY C C 13 174.2487 0.0000 . 1 . . 87546 . . 289 GLY C . 51815 1 1110 . 1 . 1 289 289 GLY CA C 13 44.9774 0.0000 . 1 . . 87543 . . 289 GLY CA . 51815 1 1111 . 1 . 1 289 289 GLY N N 15 111.7214 0.0000 . 1 . . 87530 . . 289 GLY N . 51815 1 1112 . 1 . 1 290 290 LEU H H 1 8.0389 0.0000 . 1 . . 96567 . . 290 LEU H . 51815 1 1113 . 1 . 1 290 290 LEU C C 13 177.2909 0.0000 . 1 . . 96593 . . 290 LEU C . 51815 1 1114 . 1 . 1 290 290 LEU CA C 13 54.8929 0.0000 . 1 . . 96569 . . 290 LEU CA . 51815 1 1115 . 1 . 1 290 290 LEU CB C 13 41.2728 0.0000 . 1 . . 96590 . . 290 LEU CB . 51815 1 1116 . 1 . 1 290 290 LEU N N 15 121.8928 0.0000 . 1 . . 96568 . . 290 LEU N . 51815 1 1117 . 1 . 1 291 291 ASN H H 1 8.3549 0.0000 . 1 . . 64724 . . 291 ASN H . 51815 1 1118 . 1 . 1 291 291 ASN C C 13 174.8645 0.0000 . 1 . . 64741 . . 291 ASN C . 51815 1 1119 . 1 . 1 291 291 ASN CA C 13 53.0796 0.0000 . 1 . . 64759 . . 291 ASN CA . 51815 1 1120 . 1 . 1 291 291 ASN CB C 13 38.5547 0.0000 . 1 . . 64756 . . 291 ASN CB . 51815 1 1121 . 1 . 1 291 291 ASN N N 15 118.8298 0.0000 . 1 . . 64725 . . 291 ASN N . 51815 1 1122 . 1 . 1 292 292 ASP H H 1 8.1057 0.0000 . 1 . . 91569 . . 292 ASP H . 51815 1 1123 . 1 . 1 292 292 ASP C C 13 176.2793 0.0000 . 1 . . 91580 . . 292 ASP C . 51815 1 1124 . 1 . 1 292 292 ASP CA C 13 54.2249 0.0000 . 1 . . 91577 . . 292 ASP CA . 51815 1 1125 . 1 . 1 292 292 ASP CB C 13 40.4618 0.0000 . 1 . . 91598 . . 292 ASP CB . 51815 1 1126 . 1 . 1 292 292 ASP N N 15 120.8320 0.0000 . 1 . . 91570 . . 292 ASP N . 51815 1 1127 . 1 . 1 293 293 ILE H H 1 7.8191 0.0000 . 1 . . 57986 . . 293 ILE H . 51815 1 1128 . 1 . 1 293 293 ILE C C 13 176.2015 0.0000 . 1 . . 51496 . . 293 ILE C . 51815 1 1129 . 1 . 1 293 293 ILE CA C 13 61.0924 0.0000 . 1 . . 57655 . . 293 ILE CA . 51815 1 1130 . 1 . 1 293 293 ILE CB C 13 37.5173 0.0000 . 1 . . 58087 . . 293 ILE CB . 51815 1 1131 . 1 . 1 293 293 ILE N N 15 120.3383 0.0000 . 1 . . 57987 . . 293 ILE N . 51815 1 1132 . 1 . 1 294 294 PHE H H 1 8.1072 0.0000 . 1 . . 82205 . . 294 PHE H . 51815 1 1133 . 1 . 1 294 294 PHE C C 13 174.6160 0.0000 . 1 . . 82255 . . 294 PHE C . 51815 1 1134 . 1 . 1 294 294 PHE CA C 13 57.6738 0.0000 . 1 . . 82228 . . 294 PHE CA . 51815 1 1135 . 1 . 1 294 294 PHE N N 15 123.6191 0.0000 . 1 . . 82206 . . 294 PHE N . 51815 1 1136 . 1 . 1 295 295 GLU C C 13 176.2077 0.0000 . 1 . . . . . 295 GLU C . 51815 1 1137 . 1 . 1 295 295 GLU CA C 13 56.3037 0.0000 . 1 . . 56761 . . 295 GLU CA . 51815 1 1138 . 1 . 1 295 295 GLU CB C 13 29.5109 0.0000 . 1 . . 56980 . . 295 GLU CB . 51815 1 1139 . 1 . 1 296 296 ALA H H 1 8.0896 0.0000 . 1 . . 57026 . . 296 ALA H . 51815 1 1140 . 1 . 1 296 296 ALA C C 13 177.9324 0.0000 . 1 . . 51034 . . 296 ALA C . 51815 1 1141 . 1 . 1 296 296 ALA CA C 13 52.5977 0.0000 . 1 . . 52321 . . 296 ALA CA . 51815 1 1142 . 1 . 1 296 296 ALA CB C 13 18.1459 0.0000 . 1 . . 57034 . . 296 ALA CB . 51815 1 1143 . 1 . 1 296 296 ALA N N 15 124.7967 0.0000 . 1 . . 57027 . . 296 ALA N . 51815 1 1144 . 1 . 1 297 297 GLN H H 1 8.1444 0.0000 . 1 . . 51701 . . 297 GLN H . 51815 1 1145 . 1 . 1 297 297 GLN C C 13 175.9494 0.0000 . 1 . . 51709 . . 297 GLN C . 51815 1 1146 . 1 . 1 297 297 GLN CA C 13 55.5615 0.0000 . 1 . . 52840 . . 297 GLN CA . 51815 1 1147 . 1 . 1 297 297 GLN CB C 13 28.5103 0.0000 . 1 . . 58633 . . 297 GLN CB . 51815 1 1148 . 1 . 1 297 297 GLN N N 15 119.0845 0.0000 . 1 . . 51702 . . 297 GLN N . 51815 1 1149 . 1 . 1 298 298 LYS C C 13 176.3177 0.0000 . 1 . . 96115 . . 298 LYS C . 51815 1 1150 . 1 . 1 298 298 LYS CA C 13 55.9551 0.0000 . 1 . . 96103 . . 298 LYS CA . 51815 1 1151 . 1 . 1 298 298 LYS CB C 13 31.8682 0.0000 . 1 . . 96124 . . 298 LYS CB . 51815 1 1152 . 1 . 1 299 299 ILE H H 1 8.0247 0.0000 . 1 . . 96095 . . 299 ILE H . 51815 1 1153 . 1 . 1 299 299 ILE C C 13 176.0320 0.0000 . 1 . . 96112 . . 299 ILE C . 51815 1 1154 . 1 . 1 299 299 ILE CA C 13 60.7076 0.0000 . 1 . . 96097 . . 299 ILE CA . 51815 1 1155 . 1 . 1 299 299 ILE CB C 13 37.7691 0.0000 . 1 . . 96106 . . 299 ILE CB . 51815 1 1156 . 1 . 1 299 299 ILE N N 15 122.9069 0.0000 . 1 . . 96096 . . 299 ILE N . 51815 1 1157 . 1 . 1 300 300 GLU H H 1 8.2785 0.0000 . 1 . . 56945 . . 300 GLU H . 51815 1 1158 . 1 . 1 300 300 GLU C C 13 175.6048 0.0000 . 1 . . 51055 . . 300 GLU C . 51815 1 1159 . 1 . 1 300 300 GLU CA C 13 55.6227 0.0000 . 1 . . 56812 . . 300 GLU CA . 51815 1 1160 . 1 . 1 300 300 GLU CB C 13 29.5056 0.0000 . 1 . . 56956 . . 300 GLU CB . 51815 1 1161 . 1 . 1 300 300 GLU N N 15 125.3252 0.0000 . 1 . . 56946 . . 300 GLU N . 51815 1 1162 . 1 . 1 301 301 TRP H H 1 8.1325 0.0000 . 1 . . 83414 . . 301 TRP H . 51815 1 1163 . 1 . 1 301 301 TRP C C 13 175.3777 0.0000 . 1 . . 83431 . . 301 TRP C . 51815 1 1164 . 1 . 1 301 301 TRP CA C 13 56.9101 0.0000 . 1 . . 83428 . . 301 TRP CA . 51815 1 1165 . 1 . 1 301 301 TRP CB C 13 29.0854 0.0000 . 1 . . 55072 . . 301 TRP CB . 51815 1 1166 . 1 . 1 301 301 TRP N N 15 123.5349 0.0000 . 1 . . 83415 . . 301 TRP N . 51815 1 1167 . 1 . 1 302 302 HIS H H 1 7.7169 0.0000 . 1 . . 57893 . . 302 HIS H . 51815 1 1168 . 1 . 1 302 302 HIS C C 13 172.8625 0.0000 . 1 . . 51448 . . 302 HIS C . 51815 1 1169 . 1 . 1 302 302 HIS CA C 13 54.6515 0.0000 . 1 . . 57892 . . 302 HIS CA . 51815 1 1170 . 1 . 1 302 302 HIS CB C 13 29.6706 0.0000 . 1 . . 58201 . . 302 HIS CB . 51815 1 1171 . 1 . 1 302 302 HIS N N 15 121.7822 0.0000 . 1 . . 57894 . . 302 HIS N . 51815 1 1172 . 1 . 1 303 303 GLU H H 1 7.9493 0.0000 . 1 . . 101724 . . 303 GLU H . 51815 1 1173 . 1 . 1 303 303 GLU C C 13 181.2617 0.0000 . 1 . . 101744 . . 303 GLU C . 51815 1 1174 . 1 . 1 303 303 GLU CA C 13 57.8034 0.0000 . 1 . . 101762 . . 303 GLU CA . 51815 1 1175 . 1 . 1 303 303 GLU N N 15 127.4437 0.0000 . 1 . . 101725 . . 303 GLU N . 51815 1 stop_ save_