data_27774 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27774 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for PhDim1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-04 _Entry.Accession_date 2019-02-04 _Entry.Last_release_date 2019-02-04 _Entry.Original_release_date 2019-02-04 _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 Marco Kaiser . . . . 27774 2 Carolin Hacker . . . . 27774 3 Elke Durchardt-Ferner . . . . 27774 4 Jens Woehnert . . . . 27774 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27774 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 733 27774 '15N chemical shifts' 230 27774 '1H chemical shifts' 230 27774 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 . . 2022-04-04 2019-02-04 update BMRB 'update Polymer_type' 27774 1 . . 2019-08-28 2019-02-04 original author 'original release' 27774 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27774 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31069720 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone NMR resonance assignments for the rRNA methyltransferase Dim1 from the hyperthermophilic archaeon Pyrococcus horikoshii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 309 _Citation.Page_last 314 _Citation.Year 2019 _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 Marco Kaiser . . . . 27774 1 2 Carolin Hacker . . . . 27774 1 3 Elke Durchardt-Ferner . . . . 27774 1 4 Jens Woehnert . . . . 27774 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27774 _Assembly.ID 1 _Assembly.Name PhDim1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PhDim1 1 $Pyrococcus_horikoshii_Dim1 A . yes native no no . . . 27774 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pyrococcus_horikoshii_Dim1 _Entity.Sf_category entity _Entity.Sf_framecode Pyrococcus_horikoshii_Dim1 _Entity.Entry_ID 27774 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pyrococcus_horikoshii_Dim1 _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 ; MRDRLFFLLSKYGIRPRDSI GQHFLIIEDVIEKAIETANV NENDVILEVGPGLGFLTDEL AKRAKKVYTIEIDQKIIEIL KKEYSWNNVKIIQGDAVRVE WPKFNKVVSNIPYKISSPFT FKLLKTDFERAVVMYQLEFA LRMVAKPGSRNYSRLSLMAQ ALGNVEIVMKIGKGAFYPRP KVDSALVLIEPRKDKIVLNE NLVKALFQHRRKTVPRALKD SIHMLGVSKDEIRGIINNVP HSNKRVFQLYPEEVKDIEEY LKKHGIIS ; _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 268 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 27774 1 2 . ARG . 27774 1 3 . ASP . 27774 1 4 . ARG . 27774 1 5 . LEU . 27774 1 6 . PHE . 27774 1 7 . PHE . 27774 1 8 . LEU . 27774 1 9 . LEU . 27774 1 10 . SER . 27774 1 11 . LYS . 27774 1 12 . TYR . 27774 1 13 . GLY . 27774 1 14 . ILE . 27774 1 15 . ARG . 27774 1 16 . PRO . 27774 1 17 . ARG . 27774 1 18 . ASP . 27774 1 19 . SER . 27774 1 20 . ILE . 27774 1 21 . GLY . 27774 1 22 . GLN . 27774 1 23 . HIS . 27774 1 24 . PHE . 27774 1 25 . LEU . 27774 1 26 . ILE . 27774 1 27 . ILE . 27774 1 28 . GLU . 27774 1 29 . ASP . 27774 1 30 . VAL . 27774 1 31 . ILE . 27774 1 32 . GLU . 27774 1 33 . LYS . 27774 1 34 . ALA . 27774 1 35 . ILE . 27774 1 36 . GLU . 27774 1 37 . THR . 27774 1 38 . ALA . 27774 1 39 . ASN . 27774 1 40 . VAL . 27774 1 41 . ASN . 27774 1 42 . GLU . 27774 1 43 . ASN . 27774 1 44 . ASP . 27774 1 45 . VAL . 27774 1 46 . ILE . 27774 1 47 . LEU . 27774 1 48 . GLU . 27774 1 49 . VAL . 27774 1 50 . GLY . 27774 1 51 . PRO . 27774 1 52 . GLY . 27774 1 53 . LEU . 27774 1 54 . GLY . 27774 1 55 . PHE . 27774 1 56 . LEU . 27774 1 57 . THR . 27774 1 58 . ASP . 27774 1 59 . GLU . 27774 1 60 . LEU . 27774 1 61 . ALA . 27774 1 62 . LYS . 27774 1 63 . ARG . 27774 1 64 . ALA . 27774 1 65 . LYS . 27774 1 66 . LYS . 27774 1 67 . VAL . 27774 1 68 . TYR . 27774 1 69 . THR . 27774 1 70 . ILE . 27774 1 71 . GLU . 27774 1 72 . ILE . 27774 1 73 . ASP . 27774 1 74 . GLN . 27774 1 75 . LYS . 27774 1 76 . ILE . 27774 1 77 . ILE . 27774 1 78 . GLU . 27774 1 79 . ILE . 27774 1 80 . LEU . 27774 1 81 . LYS . 27774 1 82 . LYS . 27774 1 83 . GLU . 27774 1 84 . TYR . 27774 1 85 . SER . 27774 1 86 . TRP . 27774 1 87 . ASN . 27774 1 88 . ASN . 27774 1 89 . VAL . 27774 1 90 . LYS . 27774 1 91 . ILE . 27774 1 92 . ILE . 27774 1 93 . GLN . 27774 1 94 . GLY . 27774 1 95 . ASP . 27774 1 96 . ALA . 27774 1 97 . VAL . 27774 1 98 . ARG . 27774 1 99 . VAL . 27774 1 100 . GLU . 27774 1 101 . TRP . 27774 1 102 . PRO . 27774 1 103 . LYS . 27774 1 104 . PHE . 27774 1 105 . ASN . 27774 1 106 . LYS . 27774 1 107 . VAL . 27774 1 108 . VAL . 27774 1 109 . SER . 27774 1 110 . ASN . 27774 1 111 . ILE . 27774 1 112 . PRO . 27774 1 113 . TYR . 27774 1 114 . LYS . 27774 1 115 . ILE . 27774 1 116 . SER . 27774 1 117 . SER . 27774 1 118 . PRO . 27774 1 119 . PHE . 27774 1 120 . THR . 27774 1 121 . PHE . 27774 1 122 . LYS . 27774 1 123 . LEU . 27774 1 124 . LEU . 27774 1 125 . LYS . 27774 1 126 . THR . 27774 1 127 . ASP . 27774 1 128 . PHE . 27774 1 129 . GLU . 27774 1 130 . ARG . 27774 1 131 . ALA . 27774 1 132 . VAL . 27774 1 133 . VAL . 27774 1 134 . MET . 27774 1 135 . TYR . 27774 1 136 . GLN . 27774 1 137 . LEU . 27774 1 138 . GLU . 27774 1 139 . PHE . 27774 1 140 . ALA . 27774 1 141 . LEU . 27774 1 142 . ARG . 27774 1 143 . MET . 27774 1 144 . VAL . 27774 1 145 . ALA . 27774 1 146 . LYS . 27774 1 147 . PRO . 27774 1 148 . GLY . 27774 1 149 . SER . 27774 1 150 . ARG . 27774 1 151 . ASN . 27774 1 152 . TYR . 27774 1 153 . SER . 27774 1 154 . ARG . 27774 1 155 . LEU . 27774 1 156 . SER . 27774 1 157 . LEU . 27774 1 158 . MET . 27774 1 159 . ALA . 27774 1 160 . GLN . 27774 1 161 . ALA . 27774 1 162 . LEU . 27774 1 163 . GLY . 27774 1 164 . ASN . 27774 1 165 . VAL . 27774 1 166 . GLU . 27774 1 167 . ILE . 27774 1 168 . VAL . 27774 1 169 . MET . 27774 1 170 . LYS . 27774 1 171 . ILE . 27774 1 172 . GLY . 27774 1 173 . LYS . 27774 1 174 . GLY . 27774 1 175 . ALA . 27774 1 176 . PHE . 27774 1 177 . TYR . 27774 1 178 . PRO . 27774 1 179 . ARG . 27774 1 180 . PRO . 27774 1 181 . LYS . 27774 1 182 . VAL . 27774 1 183 . ASP . 27774 1 184 . SER . 27774 1 185 . ALA . 27774 1 186 . LEU . 27774 1 187 . VAL . 27774 1 188 . LEU . 27774 1 189 . ILE . 27774 1 190 . GLU . 27774 1 191 . PRO . 27774 1 192 . ARG . 27774 1 193 . LYS . 27774 1 194 . ASP . 27774 1 195 . LYS . 27774 1 196 . ILE . 27774 1 197 . VAL . 27774 1 198 . LEU . 27774 1 199 . ASN . 27774 1 200 . GLU . 27774 1 201 . ASN . 27774 1 202 . LEU . 27774 1 203 . VAL . 27774 1 204 . LYS . 27774 1 205 . ALA . 27774 1 206 . LEU . 27774 1 207 . PHE . 27774 1 208 . GLN . 27774 1 209 . HIS . 27774 1 210 . ARG . 27774 1 211 . ARG . 27774 1 212 . LYS . 27774 1 213 . THR . 27774 1 214 . VAL . 27774 1 215 . PRO . 27774 1 216 . ARG . 27774 1 217 . ALA . 27774 1 218 . LEU . 27774 1 219 . LYS . 27774 1 220 . ASP . 27774 1 221 . SER . 27774 1 222 . ILE . 27774 1 223 . HIS . 27774 1 224 . MET . 27774 1 225 . LEU . 27774 1 226 . GLY . 27774 1 227 . VAL . 27774 1 228 . SER . 27774 1 229 . LYS . 27774 1 230 . ASP . 27774 1 231 . GLU . 27774 1 232 . ILE . 27774 1 233 . ARG . 27774 1 234 . GLY . 27774 1 235 . ILE . 27774 1 236 . ILE . 27774 1 237 . ASN . 27774 1 238 . ASN . 27774 1 239 . VAL . 27774 1 240 . PRO . 27774 1 241 . HIS . 27774 1 242 . SER . 27774 1 243 . ASN . 27774 1 244 . LYS . 27774 1 245 . ARG . 27774 1 246 . VAL . 27774 1 247 . PHE . 27774 1 248 . GLN . 27774 1 249 . LEU . 27774 1 250 . TYR . 27774 1 251 . PRO . 27774 1 252 . GLU . 27774 1 253 . GLU . 27774 1 254 . VAL . 27774 1 255 . LYS . 27774 1 256 . ASP . 27774 1 257 . ILE . 27774 1 258 . GLU . 27774 1 259 . GLU . 27774 1 260 . TYR . 27774 1 261 . LEU . 27774 1 262 . LYS . 27774 1 263 . LYS . 27774 1 264 . HIS . 27774 1 265 . GLY . 27774 1 266 . ILE . 27774 1 267 . ILE . 27774 1 268 . SER . 27774 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 27774 1 . ARG 2 2 27774 1 . ASP 3 3 27774 1 . ARG 4 4 27774 1 . LEU 5 5 27774 1 . PHE 6 6 27774 1 . PHE 7 7 27774 1 . LEU 8 8 27774 1 . LEU 9 9 27774 1 . SER 10 10 27774 1 . LYS 11 11 27774 1 . TYR 12 12 27774 1 . GLY 13 13 27774 1 . ILE 14 14 27774 1 . ARG 15 15 27774 1 . PRO 16 16 27774 1 . ARG 17 17 27774 1 . ASP 18 18 27774 1 . SER 19 19 27774 1 . ILE 20 20 27774 1 . GLY 21 21 27774 1 . GLN 22 22 27774 1 . HIS 23 23 27774 1 . PHE 24 24 27774 1 . LEU 25 25 27774 1 . ILE 26 26 27774 1 . ILE 27 27 27774 1 . GLU 28 28 27774 1 . ASP 29 29 27774 1 . VAL 30 30 27774 1 . ILE 31 31 27774 1 . GLU 32 32 27774 1 . LYS 33 33 27774 1 . ALA 34 34 27774 1 . ILE 35 35 27774 1 . GLU 36 36 27774 1 . THR 37 37 27774 1 . ALA 38 38 27774 1 . ASN 39 39 27774 1 . VAL 40 40 27774 1 . ASN 41 41 27774 1 . GLU 42 42 27774 1 . ASN 43 43 27774 1 . ASP 44 44 27774 1 . VAL 45 45 27774 1 . ILE 46 46 27774 1 . LEU 47 47 27774 1 . GLU 48 48 27774 1 . VAL 49 49 27774 1 . GLY 50 50 27774 1 . PRO 51 51 27774 1 . GLY 52 52 27774 1 . LEU 53 53 27774 1 . GLY 54 54 27774 1 . PHE 55 55 27774 1 . LEU 56 56 27774 1 . THR 57 57 27774 1 . ASP 58 58 27774 1 . GLU 59 59 27774 1 . LEU 60 60 27774 1 . ALA 61 61 27774 1 . LYS 62 62 27774 1 . ARG 63 63 27774 1 . ALA 64 64 27774 1 . LYS 65 65 27774 1 . LYS 66 66 27774 1 . VAL 67 67 27774 1 . TYR 68 68 27774 1 . THR 69 69 27774 1 . ILE 70 70 27774 1 . GLU 71 71 27774 1 . ILE 72 72 27774 1 . ASP 73 73 27774 1 . GLN 74 74 27774 1 . LYS 75 75 27774 1 . ILE 76 76 27774 1 . ILE 77 77 27774 1 . GLU 78 78 27774 1 . ILE 79 79 27774 1 . LEU 80 80 27774 1 . LYS 81 81 27774 1 . LYS 82 82 27774 1 . GLU 83 83 27774 1 . TYR 84 84 27774 1 . SER 85 85 27774 1 . TRP 86 86 27774 1 . ASN 87 87 27774 1 . ASN 88 88 27774 1 . VAL 89 89 27774 1 . LYS 90 90 27774 1 . ILE 91 91 27774 1 . ILE 92 92 27774 1 . GLN 93 93 27774 1 . GLY 94 94 27774 1 . ASP 95 95 27774 1 . ALA 96 96 27774 1 . VAL 97 97 27774 1 . ARG 98 98 27774 1 . VAL 99 99 27774 1 . GLU 100 100 27774 1 . TRP 101 101 27774 1 . PRO 102 102 27774 1 . LYS 103 103 27774 1 . PHE 104 104 27774 1 . ASN 105 105 27774 1 . LYS 106 106 27774 1 . VAL 107 107 27774 1 . VAL 108 108 27774 1 . SER 109 109 27774 1 . ASN 110 110 27774 1 . ILE 111 111 27774 1 . PRO 112 112 27774 1 . TYR 113 113 27774 1 . LYS 114 114 27774 1 . ILE 115 115 27774 1 . SER 116 116 27774 1 . SER 117 117 27774 1 . PRO 118 118 27774 1 . PHE 119 119 27774 1 . THR 120 120 27774 1 . PHE 121 121 27774 1 . LYS 122 122 27774 1 . LEU 123 123 27774 1 . LEU 124 124 27774 1 . LYS 125 125 27774 1 . THR 126 126 27774 1 . ASP 127 127 27774 1 . PHE 128 128 27774 1 . GLU 129 129 27774 1 . ARG 130 130 27774 1 . ALA 131 131 27774 1 . VAL 132 132 27774 1 . VAL 133 133 27774 1 . MET 134 134 27774 1 . TYR 135 135 27774 1 . GLN 136 136 27774 1 . LEU 137 137 27774 1 . GLU 138 138 27774 1 . PHE 139 139 27774 1 . ALA 140 140 27774 1 . LEU 141 141 27774 1 . ARG 142 142 27774 1 . MET 143 143 27774 1 . VAL 144 144 27774 1 . ALA 145 145 27774 1 . LYS 146 146 27774 1 . PRO 147 147 27774 1 . GLY 148 148 27774 1 . SER 149 149 27774 1 . ARG 150 150 27774 1 . ASN 151 151 27774 1 . TYR 152 152 27774 1 . SER 153 153 27774 1 . ARG 154 154 27774 1 . LEU 155 155 27774 1 . SER 156 156 27774 1 . LEU 157 157 27774 1 . MET 158 158 27774 1 . ALA 159 159 27774 1 . GLN 160 160 27774 1 . ALA 161 161 27774 1 . LEU 162 162 27774 1 . GLY 163 163 27774 1 . ASN 164 164 27774 1 . VAL 165 165 27774 1 . GLU 166 166 27774 1 . ILE 167 167 27774 1 . VAL 168 168 27774 1 . MET 169 169 27774 1 . LYS 170 170 27774 1 . ILE 171 171 27774 1 . GLY 172 172 27774 1 . LYS 173 173 27774 1 . GLY 174 174 27774 1 . ALA 175 175 27774 1 . PHE 176 176 27774 1 . TYR 177 177 27774 1 . PRO 178 178 27774 1 . ARG 179 179 27774 1 . PRO 180 180 27774 1 . LYS 181 181 27774 1 . VAL 182 182 27774 1 . ASP 183 183 27774 1 . SER 184 184 27774 1 . ALA 185 185 27774 1 . LEU 186 186 27774 1 . VAL 187 187 27774 1 . LEU 188 188 27774 1 . ILE 189 189 27774 1 . GLU 190 190 27774 1 . PRO 191 191 27774 1 . ARG 192 192 27774 1 . LYS 193 193 27774 1 . ASP 194 194 27774 1 . LYS 195 195 27774 1 . ILE 196 196 27774 1 . VAL 197 197 27774 1 . LEU 198 198 27774 1 . ASN 199 199 27774 1 . GLU 200 200 27774 1 . ASN 201 201 27774 1 . LEU 202 202 27774 1 . VAL 203 203 27774 1 . LYS 204 204 27774 1 . ALA 205 205 27774 1 . LEU 206 206 27774 1 . PHE 207 207 27774 1 . GLN 208 208 27774 1 . HIS 209 209 27774 1 . ARG 210 210 27774 1 . ARG 211 211 27774 1 . LYS 212 212 27774 1 . THR 213 213 27774 1 . VAL 214 214 27774 1 . PRO 215 215 27774 1 . ARG 216 216 27774 1 . ALA 217 217 27774 1 . LEU 218 218 27774 1 . LYS 219 219 27774 1 . ASP 220 220 27774 1 . SER 221 221 27774 1 . ILE 222 222 27774 1 . HIS 223 223 27774 1 . MET 224 224 27774 1 . LEU 225 225 27774 1 . GLY 226 226 27774 1 . VAL 227 227 27774 1 . SER 228 228 27774 1 . LYS 229 229 27774 1 . ASP 230 230 27774 1 . GLU 231 231 27774 1 . ILE 232 232 27774 1 . ARG 233 233 27774 1 . GLY 234 234 27774 1 . ILE 235 235 27774 1 . ILE 236 236 27774 1 . ASN 237 237 27774 1 . ASN 238 238 27774 1 . VAL 239 239 27774 1 . PRO 240 240 27774 1 . HIS 241 241 27774 1 . SER 242 242 27774 1 . ASN 243 243 27774 1 . LYS 244 244 27774 1 . ARG 245 245 27774 1 . VAL 246 246 27774 1 . PHE 247 247 27774 1 . GLN 248 248 27774 1 . LEU 249 249 27774 1 . TYR 250 250 27774 1 . PRO 251 251 27774 1 . GLU 252 252 27774 1 . GLU 253 253 27774 1 . VAL 254 254 27774 1 . LYS 255 255 27774 1 . ASP 256 256 27774 1 . ILE 257 257 27774 1 . GLU 258 258 27774 1 . GLU 259 259 27774 1 . TYR 260 260 27774 1 . LEU 261 261 27774 1 . LYS 262 262 27774 1 . LYS 263 263 27774 1 . HIS 264 264 27774 1 . GLY 265 265 27774 1 . ILE 266 266 27774 1 . ILE 267 267 27774 1 . SER 268 268 27774 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27774 _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 $Pyrococcus_horikoshii_Dim1 . 53953 organism . 'Pyrococcus horikoshii' 'Pyrococcus horikoshii' . . Archaea . Pyrococcus horikoshii . . . . . . . . . . . . . 27774 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27774 _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 $Pyrococcus_horikoshii_Dim1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET_11a . . . 27774 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15NValPhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 15NValPhDim1 _Sample.Entry_ID 27774 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $Pyrococcus_horikoshii_Dim1 . . 305 . . uM . . . . 27774 1 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 1 stop_ save_ save_1H15N13CPhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 1H15N13CPhDim1 _Sample.Entry_ID 27774 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 13C; U-100% 15N]' . . 1 $Pyrococcus_horikoshii_Dim1 . . 400 . . uM . . . . 27774 2 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 2 stop_ save_ save_1H15N13C_Thr_PhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 1H15N13C_Thr_PhDim1 _Sample.Entry_ID 27774 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 13C; U-100% 15N]-Thr' . . 1 $Pyrococcus_horikoshii_Dim1 . . 210 . . uM . . . . 27774 3 stop_ save_ save_15NArg13CProPhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 15NArg13CProPhDim1 _Sample.Entry_ID 27774 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 15N]-Arg [U-100% 13C]-Pro' . . 1 $Pyrococcus_horikoshii_Dim1 . . 200 . . uM . . . . 27774 4 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 4 stop_ save_ save_15NGlyPhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 15NGlyPhDim1 _Sample.Entry_ID 27774 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 15N]-Gly' . . 1 $Pyrococcus_horikoshii_Dim1 . . 200 . . uM . . . . 27774 5 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 5 stop_ save_ save_15NIlePhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 15NIlePhDim1 _Sample.Entry_ID 27774 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 15N]-Ile' . . 1 $Pyrococcus_horikoshii_Dim1 . . 350 . . uM . . . . 27774 6 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 6 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 6 stop_ save_ save_15NPhePhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 15NPhePhDim1 _Sample.Entry_ID 27774 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 15N]-Phe' . . 1 $Pyrococcus_horikoshii_Dim1 . . 210 . . uM . . . . 27774 7 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 7 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 7 stop_ save_ save_15NTyrPhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 15NTyrPhDim1 _Sample.Entry_ID 27774 _Sample.ID 8 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 15N]-Arg [U-100% 13C]-Pro' . . 1 $Pyrococcus_horikoshii_Dim1 . . 210 . . uM . . . . 27774 8 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 8 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 8 stop_ save_ save_15NLeuPhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 15NLeuPhDim1 _Sample.Entry_ID 27774 _Sample.ID 9 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 15N]-Leu' . . 1 $Pyrococcus_horikoshii_Dim1 . . 280 . . uM . . . . 27774 9 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 9 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 9 stop_ save_ save_15NLys13CProPhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 15NLys13CProPhDim1 _Sample.Entry_ID 27774 _Sample.ID 10 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pyrococcus horikoshii Dim1' '[U-100% 15N]-Lys [U-100% 13C]-Pro' . . 1 $Pyrococcus_horikoshii_Dim1 . . 300 . . uM . . . . 27774 10 2 'bis-tris ph 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 27774 10 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 10 stop_ save_ save_2H15N13CPhDim1 _Sample.Sf_category sample _Sample.Sf_framecode 2H15N13CPhDim1 _Sample.Entry_ID 27774 _Sample.ID 11 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'bis-tris ph 6.5' 'natural abundance' . . 1 $Pyrococcus_horikoshii_Dim1 . . 50 . . mM . . . . 27774 11 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27774 11 3 'Pyrococcus horikoshii Dim1' '[U-100% 13C; U-100% 15N; U-100% 2H]' . . . . . . 210 . . uM . . . . 27774 11 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 27774 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 27774 1 pH 6.5 . pH 27774 1 pressure 1 . atm 27774 1 temperature 315 . K 27774 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27774 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27774 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27774 1 'data analysis' . 27774 1 stop_ save_ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 27774 _Software.ID 2 _Software.Type . _Software.Name Cara _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27774 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27774 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27774 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27774 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27774 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 27774 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 599 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27774 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27774 1 2 spectrometer_2 Bruker Avance . 800 . . . 27774 1 3 spectrometer_3 Bruker Avance . 700 . . . 27774 1 4 spectrometer_4 Bruker Avance . 599 . . . 27774 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27774 _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 trhncocagp3d no . . . . . . . . . . . . 2 $1H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 2 b_trhncagp3d.2 no . . . . . . . . . . . . 2 $1H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 3 trosyf3gpphsi19.2 no . . . . . . . . . . . . 3 $1H15N13C_Thr_PhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 4 trosyf3gpphsi19.2 no . . . . . . . . . . . . 4 $15NArg13CProPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 5 trosyf3gpphsi19.2 no . . . . . . . . . . . . 5 $15NGlyPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 6 trhncogp2h3d no . . . . . . . . . . . . 4 $15NArg13CProPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 7 trosyf3gpphsi19.2 no . . . . . . . . . . . . 11 $2H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 8 trhncocacbgp2h3d no . . . . . . . . . . . . 11 $2H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 9 trhncocagp2h3d no . . . . . . . . . . . . 11 $2H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 10 trhncacogp3d no . . . . . . . . . . . . 2 $1H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 11 trosyf3gpphsi19.2 no . . . . . . . . . . . . 6 $15NIlePhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 12 trosyf3gpphsi19.2 no . . . . . . . . . . . . 7 $15NPhePhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 13 trosyf3gpphsi19.2 no . . . . . . . . . . . . 8 $15NTyrPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 14 trosyf3gpphsi19.2 no . . . . . . . . . . . . 9 $15NLeuPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 15 trosyf3gpphsi19.2 no . . . . . . . . . . . . 1 $15NValPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 16 trhncacbgp2h3d no . . . . . . . . . . . . 11 $2H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 17 trhncogp2h3d no . . . . . . . . . . . . 11 $2H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 18 trhncagp2h3d2 no . . . . . . . . . . . . 11 $2H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 19 b_trosyetf3gpsi.2 no . . . . . . . . . . . . 10 $15NLys13CProPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 20 b_trhncogp3d.2 no . . . . . . . . . . . . 10 $15NLys13CProPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 21 trhncacogp2h3d no . . . . . . . . . . . . 11 $2H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 22 trhncagp2h3d2 no . . . . . . . . . . . . 11 $2H15N13CPhDim1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27774 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 27774 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27774 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27774 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27774 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_PhDim1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_PhDim1 _Assigned_chem_shift_list.Entry_ID 27774 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _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 trhncocagp3d . . . 27774 1 2 b_trhncagp3d.2 . . . 27774 1 3 trosyf3gpphsi19.2 . . . 27774 1 4 trosyf3gpphsi19.2 . . . 27774 1 5 trosyf3gpphsi19.2 . . . 27774 1 6 trhncogp2h3d . . . 27774 1 7 trosyf3gpphsi19.2 . . . 27774 1 8 trhncocacbgp2h3d . . . 27774 1 9 trhncocagp2h3d . . . 27774 1 10 trhncacogp3d . . . 27774 1 11 trosyf3gpphsi19.2 . . . 27774 1 12 trosyf3gpphsi19.2 . . . 27774 1 13 trosyf3gpphsi19.2 . . . 27774 1 14 trosyf3gpphsi19.2 . . . 27774 1 15 trosyf3gpphsi19.2 . . . 27774 1 16 trhncacbgp2h3d . . . 27774 1 17 trhncogp2h3d . . . 27774 1 18 trhncagp2h3d2 . . . 27774 1 19 b_trosyetf3gpsi.2 . . . 27774 1 20 b_trhncogp3d.2 . . . 27774 1 21 trhncacogp2h3d . . . 27774 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 2 2 ARG C C 13 173.063 0.3 . 1 . . . . . 2 ARG C . 27774 1 2 . 1 . 1 2 2 ARG CA C 13 58.060 0.3 . 1 . . . . . 2 ARG CA . 27774 1 3 . 1 . 1 2 2 ARG CB C 13 29.648 0.3 . 1 . . . . . 2 ARG CB . 27774 1 4 . 1 . 1 3 3 ASP H H 1 8.494 0.020 . 1 . . . . . 3 ASP H . 27774 1 5 . 1 . 1 3 3 ASP C C 13 174.708 0.3 . 1 . . . . . 3 ASP C . 27774 1 6 . 1 . 1 3 3 ASP CA C 13 56.356 0.3 . 1 . . . . . 3 ASP CA . 27774 1 7 . 1 . 1 3 3 ASP CB C 13 39.337 0.3 . 1 . . . . . 3 ASP CB . 27774 1 8 . 1 . 1 3 3 ASP N N 15 119.041 0.3 . 1 . . . . . 3 ASP N . 27774 1 9 . 1 . 1 4 4 ARG H H 1 7.929 0.020 . 1 . . . . . 4 ARG H . 27774 1 10 . 1 . 1 4 4 ARG C C 13 174.261 0.3 . 1 . . . . . 4 ARG C . 27774 1 11 . 1 . 1 4 4 ARG CA C 13 58.057 0.3 . 1 . . . . . 4 ARG CA . 27774 1 12 . 1 . 1 4 4 ARG CB C 13 29.244 0.3 . 1 . . . . . 4 ARG CB . 27774 1 13 . 1 . 1 4 4 ARG N N 15 121.278 0.3 . 1 . . . . . 4 ARG N . 27774 1 14 . 1 . 1 5 5 LEU H H 1 8.006 0.020 . 1 . . . . . 5 LEU H . 27774 1 15 . 1 . 1 5 5 LEU C C 13 173.920 0.3 . 1 . . . . . 5 LEU C . 27774 1 16 . 1 . 1 5 5 LEU CA C 13 58.367 0.3 . 1 . . . . . 5 LEU CA . 27774 1 17 . 1 . 1 5 5 LEU CB C 13 40.485 0.3 . 1 . . . . . 5 LEU CB . 27774 1 18 . 1 . 1 5 5 LEU N N 15 118.787 0.3 . 1 . . . . . 5 LEU N . 27774 1 19 . 1 . 1 6 6 PHE H H 1 8.058 0.020 . 1 . . . . . 6 PHE H . 27774 1 20 . 1 . 1 6 6 PHE C C 13 175.362 0.3 . 1 . . . . . 6 PHE C . 27774 1 21 . 1 . 1 6 6 PHE CA C 13 60.903 0.3 . 1 . . . . . 6 PHE CA . 27774 1 22 . 1 . 1 6 6 PHE CB C 13 37.052 0.3 . 1 . . . . . 6 PHE CB . 27774 1 23 . 1 . 1 6 6 PHE N N 15 116.192 0.3 . 1 . . . . . 6 PHE N . 27774 1 24 . 1 . 1 7 7 PHE H H 1 8.232 0.020 . 1 . . . . . 7 PHE H . 27774 1 25 . 1 . 1 7 7 PHE C C 13 174.011 0.3 . 1 . . . . . 7 PHE C . 27774 1 26 . 1 . 1 7 7 PHE CA C 13 60.860 0.3 . 1 . . . . . 7 PHE CA . 27774 1 27 . 1 . 1 7 7 PHE CB C 13 38.154 0.3 . 1 . . . . . 7 PHE CB . 27774 1 28 . 1 . 1 7 7 PHE N N 15 120.873 0.3 . 1 . . . . . 7 PHE N . 27774 1 29 . 1 . 1 8 8 LEU H H 1 8.183 0.020 . 1 . . . . . 8 LEU H . 27774 1 30 . 1 . 1 8 8 LEU C C 13 175.706 0.3 . 1 . . . . . 8 LEU C . 27774 1 31 . 1 . 1 8 8 LEU CA C 13 57.727 0.3 . 1 . . . . . 8 LEU CA . 27774 1 32 . 1 . 1 8 8 LEU CB C 13 42.161 0.3 . 1 . . . . . 8 LEU CB . 27774 1 33 . 1 . 1 8 8 LEU N N 15 119.659 0.3 . 1 . . . . . 8 LEU N . 27774 1 34 . 1 . 1 9 9 LEU H H 1 8.502 0.020 . 1 . . . . . 9 LEU H . 27774 1 35 . 1 . 1 9 9 LEU C C 13 176.447 0.3 . 1 . . . . . 9 LEU C . 27774 1 36 . 1 . 1 9 9 LEU CA C 13 58.088 0.3 . 1 . . . . . 9 LEU CA . 27774 1 37 . 1 . 1 9 9 LEU CB C 13 39.798 0.3 . 1 . . . . . 9 LEU CB . 27774 1 38 . 1 . 1 9 9 LEU N N 15 116.749 0.3 . 1 . . . . . 9 LEU N . 27774 1 39 . 1 . 1 10 10 SER H H 1 7.682 0.020 . 1 . . . . . 10 SER H . 27774 1 40 . 1 . 1 10 10 SER C C 13 176.438 0.3 . 1 . . . . . 10 SER C . 27774 1 41 . 1 . 1 10 10 SER CA C 13 60.408 0.3 . 1 . . . . . 10 SER CA . 27774 1 42 . 1 . 1 10 10 SER CB C 13 62.326 0.3 . 1 . . . . . 10 SER CB . 27774 1 43 . 1 . 1 10 10 SER N N 15 111.548 0.3 . 1 . . . . . 10 SER N . 27774 1 44 . 1 . 1 11 11 LYS H H 1 8.140 0.020 . 1 . . . . . 11 LYS H . 27774 1 45 . 1 . 1 11 11 LYS C C 13 174.339 0.3 . 1 . . . . . 11 LYS C . 27774 1 46 . 1 . 1 11 11 LYS CA C 13 58.738 0.3 . 1 . . . . . 11 LYS CA . 27774 1 47 . 1 . 1 11 11 LYS CB C 13 31.550 0.3 . 1 . . . . . 11 LYS CB . 27774 1 48 . 1 . 1 11 11 LYS N N 15 123.130 0.3 . 1 . . . . . 11 LYS N . 27774 1 49 . 1 . 1 12 12 TYR H H 1 7.514 0.020 . 1 . . . . . 12 TYR H . 27774 1 50 . 1 . 1 12 12 TYR C C 13 172.277 0.3 . 1 . . . . . 12 TYR C . 27774 1 51 . 1 . 1 12 12 TYR CA C 13 58.397 0.3 . 1 . . . . . 12 TYR CA . 27774 1 52 . 1 . 1 12 12 TYR CB C 13 38.116 0.3 . 1 . . . . . 12 TYR CB . 27774 1 53 . 1 . 1 12 12 TYR N N 15 111.871 0.3 . 1 . . . . . 12 TYR N . 27774 1 54 . 1 . 1 13 13 GLY H H 1 7.600 0.020 . 1 . . . . . 13 GLY H . 27774 1 55 . 1 . 1 13 13 GLY C C 13 171.161 0.3 . 1 . . . . . 13 GLY C . 27774 1 56 . 1 . 1 13 13 GLY CA C 13 46.926 0.3 . 1 . . . . . 13 GLY CA . 27774 1 57 . 1 . 1 13 13 GLY N N 15 110.026 0.3 . 1 . . . . . 13 GLY N . 27774 1 58 . 1 . 1 14 14 ILE H H 1 7.858 0.020 . 1 . . . . . 14 ILE H . 27774 1 59 . 1 . 1 14 14 ILE C C 13 171.688 0.3 . 1 . . . . . 14 ILE C . 27774 1 60 . 1 . 1 14 14 ILE CA C 13 60.099 0.3 . 1 . . . . . 14 ILE CA . 27774 1 61 . 1 . 1 14 14 ILE CB C 13 37.659 0.3 . 1 . . . . . 14 ILE CB . 27774 1 62 . 1 . 1 14 14 ILE N N 15 118.342 0.3 . 1 . . . . . 14 ILE N . 27774 1 63 . 1 . 1 15 15 ARG H H 1 8.605 0.020 . 1 . . . . . 15 ARG H . 27774 1 64 . 1 . 1 15 15 ARG C C 13 171.471 0.3 . 1 . . . . . 15 ARG C . 27774 1 65 . 1 . 1 15 15 ARG CA C 13 52.936 0.3 . 1 . . . . . 15 ARG CA . 27774 1 66 . 1 . 1 15 15 ARG CB C 13 29.409 0.3 . 1 . . . . . 15 ARG CB . 27774 1 67 . 1 . 1 15 15 ARG N N 15 126.809 0.3 . 1 . . . . . 15 ARG N . 27774 1 68 . 1 . 1 19 19 SER C C 13 171.076 0.3 . 1 . . . . . 19 SER C . 27774 1 69 . 1 . 1 19 19 SER CA C 13 58.119 0.3 . 1 . . . . . 19 SER CA . 27774 1 70 . 1 . 1 19 19 SER CB C 13 62.790 0.3 . 1 . . . . . 19 SER CB . 27774 1 71 . 1 . 1 20 20 ILE H H 1 7.649 0.020 . 1 . . . . . 20 ILE H . 27774 1 72 . 1 . 1 20 20 ILE C C 13 173.393 0.3 . 1 . . . . . 20 ILE C . 27774 1 73 . 1 . 1 20 20 ILE CA C 13 61.367 0.3 . 1 . . . . . 20 ILE CA . 27774 1 74 . 1 . 1 20 20 ILE CB C 13 37.370 0.3 . 1 . . . . . 20 ILE CB . 27774 1 75 . 1 . 1 20 20 ILE N N 15 119.349 0.3 . 1 . . . . . 20 ILE N . 27774 1 76 . 1 . 1 21 21 GLY H H 1 8.316 0.020 . 1 . . . . . 21 GLY H . 27774 1 77 . 1 . 1 21 21 GLY C C 13 170.199 0.3 . 1 . . . . . 21 GLY C . 27774 1 78 . 1 . 1 21 21 GLY CA C 13 45.560 0.3 . 1 . . . . . 21 GLY CA . 27774 1 79 . 1 . 1 21 21 GLY N N 15 111.722 0.3 . 1 . . . . . 21 GLY N . 27774 1 80 . 1 . 1 22 22 GLN H H 1 7.378 0.020 . 1 . . . . . 22 GLN H . 27774 1 81 . 1 . 1 22 22 GLN C C 13 169.905 0.3 . 1 . . . . . 22 GLN C . 27774 1 82 . 1 . 1 22 22 GLN CA C 13 54.608 0.3 . 1 . . . . . 22 GLN CA . 27774 1 83 . 1 . 1 22 22 GLN CB C 13 29.269 0.3 . 1 . . . . . 22 GLN CB . 27774 1 84 . 1 . 1 22 22 GLN N N 15 118.999 0.3 . 1 . . . . . 22 GLN N . 27774 1 85 . 1 . 1 23 23 HIS H H 1 7.791 0.020 . 1 . . . . . 23 HIS H . 27774 1 86 . 1 . 1 23 23 HIS C C 13 170.525 0.3 . 1 . . . . . 23 HIS C . 27774 1 87 . 1 . 1 23 23 HIS CA C 13 54.587 0.3 . 1 . . . . . 23 HIS CA . 27774 1 88 . 1 . 1 23 23 HIS CB C 13 30.279 0.3 . 1 . . . . . 23 HIS CB . 27774 1 89 . 1 . 1 23 23 HIS N N 15 119.699 0.3 . 1 . . . . . 23 HIS N . 27774 1 90 . 1 . 1 24 24 PHE H H 1 8.953 0.020 . 1 . . . . . 24 PHE H . 27774 1 91 . 1 . 1 24 24 PHE C C 13 172.261 0.3 . 1 . . . . . 24 PHE C . 27774 1 92 . 1 . 1 24 24 PHE CA C 13 54.871 0.3 . 1 . . . . . 24 PHE CA . 27774 1 93 . 1 . 1 24 24 PHE CB C 13 38.750 0.3 . 1 . . . . . 24 PHE CB . 27774 1 94 . 1 . 1 24 24 PHE N N 15 121.470 0.3 . 1 . . . . . 24 PHE N . 27774 1 95 . 1 . 1 25 25 LEU H H 1 9.021 0.020 . 1 . . . . . 25 LEU H . 27774 1 96 . 1 . 1 25 25 LEU C C 13 173.943 0.3 . 1 . . . . . 25 LEU C . 27774 1 97 . 1 . 1 25 25 LEU CA C 13 55.467 0.3 . 1 . . . . . 25 LEU CA . 27774 1 98 . 1 . 1 25 25 LEU CB C 13 41.646 0.3 . 1 . . . . . 25 LEU CB . 27774 1 99 . 1 . 1 25 25 LEU N N 15 126.339 0.3 . 1 . . . . . 25 LEU N . 27774 1 100 . 1 . 1 26 26 ILE H H 1 8.330 0.020 . 1 . . . . . 26 ILE H . 27774 1 101 . 1 . 1 26 26 ILE C C 13 171.316 0.3 . 1 . . . . . 26 ILE C . 27774 1 102 . 1 . 1 26 26 ILE CA C 13 60.519 0.3 . 1 . . . . . 26 ILE CA . 27774 1 103 . 1 . 1 26 26 ILE CB C 13 39.633 0.3 . 1 . . . . . 26 ILE CB . 27774 1 104 . 1 . 1 26 26 ILE N N 15 114.842 0.3 . 1 . . . . . 26 ILE N . 27774 1 105 . 1 . 1 27 27 ILE H H 1 6.425 0.020 . 1 . . . . . 27 ILE H . 27774 1 106 . 1 . 1 27 27 ILE C C 13 172.726 0.3 . 1 . . . . . 27 ILE C . 27774 1 107 . 1 . 1 27 27 ILE CA C 13 59.016 0.3 . 1 . . . . . 27 ILE CA . 27774 1 108 . 1 . 1 27 27 ILE CB C 13 37.653 0.3 . 1 . . . . . 27 ILE CB . 27774 1 109 . 1 . 1 27 27 ILE N N 15 117.861 0.3 . 1 . . . . . 27 ILE N . 27774 1 110 . 1 . 1 28 28 GLU H H 1 9.639 0.020 . 1 . . . . . 28 GLU H . 27774 1 111 . 1 . 1 28 28 GLU C C 13 174.850 0.3 . 1 . . . . . 28 GLU C . 27774 1 112 . 1 . 1 28 28 GLU CA C 13 60.051 0.3 . 1 . . . . . 28 GLU CA . 27774 1 113 . 1 . 1 28 28 GLU CB C 13 28.282 0.3 . 1 . . . . . 28 GLU CB . 27774 1 114 . 1 . 1 28 28 GLU N N 15 129.320 0.3 . 1 . . . . . 28 GLU N . 27774 1 115 . 1 . 1 29 29 ASP H H 1 8.562 0.020 . 1 . . . . . 29 ASP H . 27774 1 116 . 1 . 1 29 29 ASP C C 13 174.912 0.3 . 1 . . . . . 29 ASP C . 27774 1 117 . 1 . 1 29 29 ASP CA C 13 56.727 0.3 . 1 . . . . . 29 ASP CA . 27774 1 118 . 1 . 1 29 29 ASP CB C 13 39.842 0.3 . 1 . . . . . 29 ASP CB . 27774 1 119 . 1 . 1 29 29 ASP N N 15 116.763 0.3 . 1 . . . . . 29 ASP N . 27774 1 120 . 1 . 1 30 30 VAL H H 1 6.939 0.020 . 1 . . . . . 30 VAL H . 27774 1 121 . 1 . 1 30 30 VAL C C 13 173.393 0.3 . 1 . . . . . 30 VAL C . 27774 1 122 . 1 . 1 30 30 VAL CA C 13 65.203 0.3 . 1 . . . . . 30 VAL CA . 27774 1 123 . 1 . 1 30 30 VAL CB C 13 30.996 0.3 . 1 . . . . . 30 VAL CB . 27774 1 124 . 1 . 1 30 30 VAL N N 15 118.095 0.3 . 1 . . . . . 30 VAL N . 27774 1 125 . 1 . 1 31 31 ILE H H 1 6.993 0.020 . 1 . . . . . 31 ILE H . 27774 1 126 . 1 . 1 31 31 ILE C C 13 173.533 0.3 . 1 . . . . . 31 ILE C . 27774 1 127 . 1 . 1 31 31 ILE CA C 13 66.001 0.3 . 1 . . . . . 31 ILE CA . 27774 1 128 . 1 . 1 31 31 ILE CB C 13 37.354 0.3 . 1 . . . . . 31 ILE CB . 27774 1 129 . 1 . 1 31 31 ILE N N 15 120.429 0.3 . 1 . . . . . 31 ILE N . 27774 1 130 . 1 . 1 32 32 GLU H H 1 8.294 0.020 . 1 . . . . . 32 GLU H . 27774 1 131 . 1 . 1 32 32 GLU C C 13 175.377 0.3 . 1 . . . . . 32 GLU C . 27774 1 132 . 1 . 1 32 32 GLU CA C 13 58.990 0.3 . 1 . . . . . 32 GLU CA . 27774 1 133 . 1 . 1 32 32 GLU CB C 13 28.015 0.3 . 1 . . . . . 32 GLU CB . 27774 1 134 . 1 . 1 32 32 GLU N N 15 116.595 0.3 . 1 . . . . . 32 GLU N . 27774 1 135 . 1 . 1 33 33 LYS H H 1 7.727 0.020 . 1 . . . . . 33 LYS H . 27774 1 136 . 1 . 1 33 33 LYS C C 13 176.633 0.3 . 1 . . . . . 33 LYS C . 27774 1 137 . 1 . 1 33 33 LYS CA C 13 57.253 0.3 . 1 . . . . . 33 LYS CA . 27774 1 138 . 1 . 1 33 33 LYS CB C 13 30.317 0.3 . 1 . . . . . 33 LYS CB . 27774 1 139 . 1 . 1 33 33 LYS N N 15 118.658 0.3 . 1 . . . . . 33 LYS N . 27774 1 140 . 1 . 1 34 34 ALA H H 1 8.493 0.020 . 1 . . . . . 34 ALA H . 27774 1 141 . 1 . 1 34 34 ALA C C 13 174.664 0.3 . 1 . . . . . 34 ALA C . 27774 1 142 . 1 . 1 34 34 ALA CA C 13 55.273 0.3 . 1 . . . . . 34 ALA CA . 27774 1 143 . 1 . 1 34 34 ALA CB C 13 15.933 0.3 . 1 . . . . . 34 ALA CB . 27774 1 144 . 1 . 1 34 34 ALA N N 15 124.667 0.3 . 1 . . . . . 34 ALA N . 27774 1 145 . 1 . 1 35 35 ILE H H 1 7.821 0.020 . 1 . . . . . 35 ILE H . 27774 1 146 . 1 . 1 35 35 ILE C C 13 175.019 0.3 . 1 . . . . . 35 ILE C . 27774 1 147 . 1 . 1 35 35 ILE CA C 13 64.890 0.3 . 1 . . . . . 35 ILE CA . 27774 1 148 . 1 . 1 35 35 ILE CB C 13 35.981 0.3 . 1 . . . . . 35 ILE CB . 27774 1 149 . 1 . 1 35 35 ILE N N 15 117.370 0.3 . 1 . . . . . 35 ILE N . 27774 1 150 . 1 . 1 36 36 GLU H H 1 8.612 0.020 . 1 . . . . . 36 GLU H . 27774 1 151 . 1 . 1 36 36 GLU C C 13 176.992 0.3 . 1 . . . . . 36 GLU C . 27774 1 152 . 1 . 1 36 36 GLU CA C 13 58.707 0.3 . 1 . . . . . 36 GLU CA . 27774 1 153 . 1 . 1 36 36 GLU CB C 13 29.093 0.3 . 1 . . . . . 36 GLU CB . 27774 1 154 . 1 . 1 36 36 GLU N N 15 120.211 0.3 . 1 . . . . . 36 GLU N . 27774 1 155 . 1 . 1 37 37 THR H H 1 8.305 0.020 . 1 . . . . . 37 THR H . 27774 1 156 . 1 . 1 37 37 THR C C 13 171.672 0.3 . 1 . . . . . 37 THR C . 27774 1 157 . 1 . 1 37 37 THR CA C 13 66.003 0.3 . 1 . . . . . 37 THR CA . 27774 1 158 . 1 . 1 37 37 THR CB C 13 67.902 0.3 . 1 . . . . . 37 THR CB . 27774 1 159 . 1 . 1 37 37 THR N N 15 116.141 0.3 . 1 . . . . . 37 THR N . 27774 1 160 . 1 . 1 38 38 ALA H H 1 7.841 0.020 . 1 . . . . . 38 ALA H . 27774 1 161 . 1 . 1 38 38 ALA C C 13 172.106 0.3 . 1 . . . . . 38 ALA C . 27774 1 162 . 1 . 1 38 38 ALA CA C 13 52.830 0.3 . 1 . . . . . 38 ALA CA . 27774 1 163 . 1 . 1 38 38 ALA CB C 13 19.263 0.3 . 1 . . . . . 38 ALA CB . 27774 1 164 . 1 . 1 38 38 ALA N N 15 120.809 0.3 . 1 . . . . . 38 ALA N . 27774 1 165 . 1 . 1 39 39 ASN H H 1 8.119 0.020 . 1 . . . . . 39 ASN H . 27774 1 166 . 1 . 1 39 39 ASN C C 13 170.757 0.3 . 1 . . . . . 39 ASN C . 27774 1 167 . 1 . 1 39 39 ASN CA C 13 52.782 0.3 . 1 . . . . . 39 ASN CA . 27774 1 168 . 1 . 1 39 39 ASN CB C 13 36.217 0.3 . 1 . . . . . 39 ASN CB . 27774 1 169 . 1 . 1 39 39 ASN N N 15 118.436 0.3 . 1 . . . . . 39 ASN N . 27774 1 170 . 1 . 1 40 40 VAL H H 1 6.984 0.020 . 1 . . . . . 40 VAL H . 27774 1 171 . 1 . 1 40 40 VAL C C 13 172.044 0.3 . 1 . . . . . 40 VAL C . 27774 1 172 . 1 . 1 40 40 VAL CA C 13 63.656 0.3 . 1 . . . . . 40 VAL CA . 27774 1 173 . 1 . 1 40 40 VAL CB C 13 30.339 0.3 . 1 . . . . . 40 VAL CB . 27774 1 174 . 1 . 1 40 40 VAL N N 15 116.222 0.3 . 1 . . . . . 40 VAL N . 27774 1 175 . 1 . 1 41 41 ASN H H 1 9.402 0.020 . 1 . . . . . 41 ASN H . 27774 1 176 . 1 . 1 41 41 ASN C C 13 171.455 0.3 . 1 . . . . . 41 ASN C . 27774 1 177 . 1 . 1 41 41 ASN CA C 13 51.592 0.3 . 1 . . . . . 41 ASN CA . 27774 1 178 . 1 . 1 41 41 ASN CB C 13 41.372 0.3 . 1 . . . . . 41 ASN CB . 27774 1 179 . 1 . 1 41 41 ASN N N 15 126.892 0.3 . 1 . . . . . 41 ASN N . 27774 1 180 . 1 . 1 42 42 GLU H H 1 8.793 0.020 . 1 . . . . . 42 GLU H . 27774 1 181 . 1 . 1 42 42 GLU C C 13 172.060 0.3 . 1 . . . . . 42 GLU C . 27774 1 182 . 1 . 1 42 42 GLU CA C 13 57.841 0.3 . 1 . . . . . 42 GLU CA . 27774 1 183 . 1 . 1 42 42 GLU CB C 13 27.860 0.3 . 1 . . . . . 42 GLU CB . 27774 1 184 . 1 . 1 42 42 GLU N N 15 116.067 0.3 . 1 . . . . . 42 GLU N . 27774 1 185 . 1 . 1 43 43 ASN H H 1 8.699 0.020 . 1 . . . . . 43 ASN H . 27774 1 186 . 1 . 1 43 43 ASN C C 13 172.525 0.3 . 1 . . . . . 43 ASN C . 27774 1 187 . 1 . 1 43 43 ASN CA C 13 53.108 0.3 . 1 . . . . . 43 ASN CA . 27774 1 188 . 1 . 1 43 43 ASN CB C 13 39.328 0.3 . 1 . . . . . 43 ASN CB . 27774 1 189 . 1 . 1 43 43 ASN N N 15 116.813 0.3 . 1 . . . . . 43 ASN N . 27774 1 190 . 1 . 1 44 44 ASP H H 1 8.123 0.020 . 1 . . . . . 44 ASP H . 27774 1 191 . 1 . 1 44 44 ASP C C 13 171.812 0.3 . 1 . . . . . 44 ASP C . 27774 1 192 . 1 . 1 44 44 ASP CA C 13 55.861 0.3 . 1 . . . . . 44 ASP CA . 27774 1 193 . 1 . 1 44 44 ASP CB C 13 42.542 0.3 . 1 . . . . . 44 ASP CB . 27774 1 194 . 1 . 1 44 44 ASP N N 15 120.416 0.3 . 1 . . . . . 44 ASP N . 27774 1 195 . 1 . 1 45 45 VAL H H 1 9.197 0.020 . 1 . . . . . 45 VAL H . 27774 1 196 . 1 . 1 45 45 VAL C C 13 171.951 0.3 . 1 . . . . . 45 VAL C . 27774 1 197 . 1 . 1 45 45 VAL CA C 13 61.549 0.3 . 1 . . . . . 45 VAL CA . 27774 1 198 . 1 . 1 45 45 VAL CB C 13 32.275 0.3 . 1 . . . . . 45 VAL CB . 27774 1 199 . 1 . 1 45 45 VAL N N 15 121.842 0.3 . 1 . . . . . 45 VAL N . 27774 1 200 . 1 . 1 48 48 GLU C C 13 169.994 0.3 . 1 . . . . . 48 GLU C . 27774 1 201 . 1 . 1 48 48 GLU CA C 13 53.974 0.3 . 1 . . . . . 48 GLU CA . 27774 1 202 . 1 . 1 48 48 GLU CB C 13 32.014 0.3 . 1 . . . . . 48 GLU CB . 27774 1 203 . 1 . 1 49 49 VAL H H 1 8.726 0.020 . 1 . . . . . 49 VAL H . 27774 1 204 . 1 . 1 49 49 VAL C C 13 171.145 0.3 . 1 . . . . . 49 VAL C . 27774 1 205 . 1 . 1 49 49 VAL CA C 13 59.913 0.3 . 1 . . . . . 49 VAL CA . 27774 1 206 . 1 . 1 49 49 VAL CB C 13 32.551 0.3 . 1 . . . . . 49 VAL CB . 27774 1 207 . 1 . 1 49 49 VAL N N 15 123.335 0.3 . 1 . . . . . 49 VAL N . 27774 1 208 . 1 . 1 50 50 GLY H H 1 8.486 0.020 . 1 . . . . . 50 GLY H . 27774 1 209 . 1 . 1 50 50 GLY C C 13 169.037 0.3 . 1 . . . . . 50 GLY C . 27774 1 210 . 1 . 1 50 50 GLY CA C 13 47.076 0.3 . 1 . . . . . 50 GLY CA . 27774 1 211 . 1 . 1 50 50 GLY N N 15 108.747 0.3 . 1 . . . . . 50 GLY N . 27774 1 212 . 1 . 1 51 51 PRO C C 13 175.561 0.3 . 1 . . . . . 51 PRO C . 27774 1 213 . 1 . 1 51 51 PRO CA C 13 62.233 0.3 . 1 . . . . . 51 PRO CA . 27774 1 214 . 1 . 1 51 51 PRO CB C 13 32.507 0.3 . 1 . . . . . 51 PRO CB . 27774 1 215 . 1 . 1 52 52 GLY H H 1 8.902 0.020 . 1 . . . . . 52 GLY H . 27774 1 216 . 1 . 1 52 52 GLY C C 13 167.858 0.3 . 1 . . . . . 52 GLY C . 27774 1 217 . 1 . 1 52 52 GLY CA C 13 47.324 0.3 . 1 . . . . . 52 GLY CA . 27774 1 218 . 1 . 1 52 52 GLY N N 15 114.122 0.3 . 1 . . . . . 52 GLY N . 27774 1 219 . 1 . 1 53 53 LEU H H 1 6.706 0.020 . 1 . . . . . 53 LEU H . 27774 1 220 . 1 . 1 53 53 LEU C C 13 173.807 0.3 . 1 . . . . . 53 LEU C . 27774 1 221 . 1 . 1 53 53 LEU CA C 13 53.109 0.3 . 1 . . . . . 53 LEU CA . 27774 1 222 . 1 . 1 53 53 LEU CB C 13 39.337 0.3 . 1 . . . . . 53 LEU CB . 27774 1 223 . 1 . 1 53 53 LEU N N 15 119.960 0.3 . 1 . . . . . 53 LEU N . 27774 1 224 . 1 . 1 54 54 GLY H H 1 8.517 0.020 . 1 . . . . . 54 GLY H . 27774 1 225 . 1 . 1 54 54 GLY C C 13 170.866 0.3 . 1 . . . . . 54 GLY C . 27774 1 226 . 1 . 1 54 54 GLY CA C 13 45.591 0.3 . 1 . . . . . 54 GLY CA . 27774 1 227 . 1 . 1 54 54 GLY N N 15 105.363 0.3 . 1 . . . . . 54 GLY N . 27774 1 228 . 1 . 1 55 55 PHE H H 1 7.451 0.020 . 1 . . . . . 55 PHE H . 27774 1 229 . 1 . 1 55 55 PHE C C 13 175.284 0.3 . 1 . . . . . 55 PHE C . 27774 1 230 . 1 . 1 55 55 PHE CA C 13 58.397 0.3 . 1 . . . . . 55 PHE CA . 27774 1 231 . 1 . 1 55 55 PHE CB C 13 36.312 0.3 . 1 . . . . . 55 PHE CB . 27774 1 232 . 1 . 1 55 55 PHE N N 15 116.910 0.3 . 1 . . . . . 55 PHE N . 27774 1 233 . 1 . 1 56 56 LEU H H 1 8.156 0.020 . 1 . . . . . 56 LEU H . 27774 1 234 . 1 . 1 56 56 LEU C C 13 174.340 0.3 . 1 . . . . . 56 LEU C . 27774 1 235 . 1 . 1 56 56 LEU CA C 13 57.248 0.3 . 1 . . . . . 56 LEU CA . 27774 1 236 . 1 . 1 56 56 LEU CB C 13 39.946 0.3 . 1 . . . . . 56 LEU CB . 27774 1 237 . 1 . 1 56 56 LEU N N 15 119.801 0.3 . 1 . . . . . 56 LEU N . 27774 1 238 . 1 . 1 57 57 THR H H 1 8.144 0.020 . 1 . . . . . 57 THR H . 27774 1 239 . 1 . 1 57 57 THR C C 13 172.990 0.3 . 1 . . . . . 57 THR C . 27774 1 240 . 1 . 1 57 57 THR CA C 13 66.249 0.3 . 1 . . . . . 57 THR CA . 27774 1 241 . 1 . 1 57 57 THR CB C 13 67.283 0.3 . 1 . . . . . 57 THR CB . 27774 1 242 . 1 . 1 57 57 THR N N 15 117.991 0.3 . 1 . . . . . 57 THR N . 27774 1 243 . 1 . 1 58 58 ASP H H 1 8.444 0.020 . 1 . . . . . 58 ASP H . 27774 1 244 . 1 . 1 58 58 ASP C C 13 174.649 0.3 . 1 . . . . . 58 ASP C . 27774 1 245 . 1 . 1 58 58 ASP CA C 13 56.975 0.3 . 1 . . . . . 58 ASP CA . 27774 1 246 . 1 . 1 58 58 ASP CB C 13 42.524 0.3 . 1 . . . . . 58 ASP CB . 27774 1 247 . 1 . 1 58 58 ASP N N 15 115.590 0.3 . 1 . . . . . 58 ASP N . 27774 1 248 . 1 . 1 59 59 GLU H H 1 6.880 0.020 . 1 . . . . . 59 GLU H . 27774 1 249 . 1 . 1 59 59 GLU C C 13 176.215 0.3 . 1 . . . . . 59 GLU C . 27774 1 250 . 1 . 1 59 59 GLU CA C 13 57.593 0.3 . 1 . . . . . 59 GLU CA . 27774 1 251 . 1 . 1 59 59 GLU CB C 13 28.480 0.3 . 1 . . . . . 59 GLU CB . 27774 1 252 . 1 . 1 59 59 GLU N N 15 113.976 0.3 . 1 . . . . . 59 GLU N . 27774 1 253 . 1 . 1 60 60 LEU H H 1 8.158 0.020 . 1 . . . . . 60 LEU H . 27774 1 254 . 1 . 1 60 60 LEU C C 13 174.933 0.3 . 1 . . . . . 60 LEU C . 27774 1 255 . 1 . 1 60 60 LEU CA C 13 57.130 0.3 . 1 . . . . . 60 LEU CA . 27774 1 256 . 1 . 1 60 60 LEU CB C 13 41.647 0.3 . 1 . . . . . 60 LEU CB . 27774 1 257 . 1 . 1 60 60 LEU N N 15 119.117 0.3 . 1 . . . . . 60 LEU N . 27774 1 258 . 1 . 1 61 61 ALA H H 1 7.872 0.020 . 1 . . . . . 61 ALA H . 27774 1 259 . 1 . 1 61 61 ALA C C 13 175.817 0.3 . 1 . . . . . 61 ALA C . 27774 1 260 . 1 . 1 61 61 ALA CA C 13 54.034 0.3 . 1 . . . . . 61 ALA CA . 27774 1 261 . 1 . 1 61 61 ALA CB C 13 16.618 0.3 . 1 . . . . . 61 ALA CB . 27774 1 262 . 1 . 1 61 61 ALA N N 15 112.050 0.3 . 1 . . . . . 61 ALA N . 27774 1 263 . 1 . 1 62 62 LYS H H 1 7.090 0.020 . 1 . . . . . 62 LYS H . 27774 1 264 . 1 . 1 62 62 LYS C C 13 173.502 0.3 . 1 . . . . . 62 LYS C . 27774 1 265 . 1 . 1 62 62 LYS CA C 13 57.748 0.3 . 1 . . . . . 62 LYS CA . 27774 1 266 . 1 . 1 62 62 LYS CB C 13 32.555 0.3 . 1 . . . . . 62 LYS CB . 27774 1 267 . 1 . 1 62 62 LYS N N 15 112.296 0.3 . 1 . . . . . 62 LYS N . 27774 1 268 . 1 . 1 63 63 ARG H H 1 7.053 0.020 . 1 . . . . . 63 ARG H . 27774 1 269 . 1 . 1 63 63 ARG C C 13 171.440 0.3 . 1 . . . . . 63 ARG C . 27774 1 270 . 1 . 1 63 63 ARG CA C 13 55.614 0.3 . 1 . . . . . 63 ARG CA . 27774 1 271 . 1 . 1 63 63 ARG CB C 13 33.514 0.3 . 1 . . . . . 63 ARG CB . 27774 1 272 . 1 . 1 63 63 ARG N N 15 115.252 0.3 . 1 . . . . . 63 ARG N . 27774 1 273 . 1 . 1 64 64 ALA H H 1 7.589 0.020 . 1 . . . . . 64 ALA H . 27774 1 274 . 1 . 1 64 64 ALA C C 13 173.042 0.3 . 1 . . . . . 64 ALA C . 27774 1 275 . 1 . 1 64 64 ALA CA C 13 50.166 0.3 . 1 . . . . . 64 ALA CA . 27774 1 276 . 1 . 1 64 64 ALA CB C 13 19.629 0.3 . 1 . . . . . 64 ALA CB . 27774 1 277 . 1 . 1 64 64 ALA N N 15 119.193 0.3 . 1 . . . . . 64 ALA N . 27774 1 278 . 1 . 1 65 65 LYS H H 1 8.291 0.020 . 1 . . . . . 65 LYS H . 27774 1 279 . 1 . 1 65 65 LYS C C 13 175.191 0.3 . 1 . . . . . 65 LYS C . 27774 1 280 . 1 . 1 65 65 LYS CA C 13 58.923 0.3 . 1 . . . . . 65 LYS CA . 27774 1 281 . 1 . 1 65 65 LYS CB C 13 31.033 0.3 . 1 . . . . . 65 LYS CB . 27774 1 282 . 1 . 1 65 65 LYS N N 15 120.598 0.3 . 1 . . . . . 65 LYS N . 27774 1 283 . 1 . 1 66 66 LYS H H 1 7.582 0.020 . 1 . . . . . 66 LYS H . 27774 1 284 . 1 . 1 66 66 LYS C C 13 169.362 0.3 . 1 . . . . . 66 LYS C . 27774 1 285 . 1 . 1 66 66 LYS CA C 13 54.438 0.3 . 1 . . . . . 66 LYS CA . 27774 1 286 . 1 . 1 66 66 LYS CB C 13 35.993 0.3 . 1 . . . . . 66 LYS CB . 27774 1 287 . 1 . 1 66 66 LYS N N 15 115.552 0.3 . 1 . . . . . 66 LYS N . 27774 1 288 . 1 . 1 67 67 VAL H H 1 8.263 0.020 . 1 . . . . . 67 VAL H . 27774 1 289 . 1 . 1 67 67 VAL C C 13 170.308 0.3 . 1 . . . . . 67 VAL C . 27774 1 290 . 1 . 1 67 67 VAL CA C 13 59.389 0.3 . 1 . . . . . 67 VAL CA . 27774 1 291 . 1 . 1 67 67 VAL CB C 13 34.366 0.3 . 1 . . . . . 67 VAL CB . 27774 1 292 . 1 . 1 67 67 VAL N N 15 123.340 0.3 . 1 . . . . . 67 VAL N . 27774 1 293 . 1 . 1 70 70 ILE C C 13 171.469 0.3 . 1 . . . . . 70 ILE C . 27774 1 294 . 1 . 1 70 70 ILE CA C 13 60.187 0.3 . 1 . . . . . 70 ILE CA . 27774 1 295 . 1 . 1 70 70 ILE CB C 13 38.717 0.3 . 1 . . . . . 70 ILE CB . 27774 1 296 . 1 . 1 71 71 GLU H H 1 8.870 0.020 . 1 . . . . . 71 GLU H . 27774 1 297 . 1 . 1 71 71 GLU C C 13 170.277 0.3 . 1 . . . . . 71 GLU C . 27774 1 298 . 1 . 1 71 71 GLU CA C 13 53.506 0.3 . 1 . . . . . 71 GLU CA . 27774 1 299 . 1 . 1 71 71 GLU CB C 13 32.528 0.3 . 1 . . . . . 71 GLU CB . 27774 1 300 . 1 . 1 71 71 GLU N N 15 129.355 0.3 . 1 . . . . . 71 GLU N . 27774 1 301 . 1 . 1 72 72 ILE H H 1 7.873 0.020 . 1 . . . . . 72 ILE H . 27774 1 302 . 1 . 1 72 72 ILE C C 13 171.765 0.3 . 1 . . . . . 72 ILE C . 27774 1 303 . 1 . 1 72 72 ILE CA C 13 60.996 0.3 . 1 . . . . . 72 ILE CA . 27774 1 304 . 1 . 1 72 72 ILE CB C 13 39.744 0.3 . 1 . . . . . 72 ILE CB . 27774 1 305 . 1 . 1 72 72 ILE N N 15 124.821 0.3 . 1 . . . . . 72 ILE N . 27774 1 306 . 1 . 1 73 73 ASP H H 1 9.797 0.020 . 1 . . . . . 73 ASP H . 27774 1 307 . 1 . 1 73 73 ASP C C 13 173.502 0.3 . 1 . . . . . 73 ASP C . 27774 1 308 . 1 . 1 73 73 ASP CA C 13 54.160 0.3 . 1 . . . . . 73 ASP CA . 27774 1 309 . 1 . 1 73 73 ASP CB C 13 42.137 0.3 . 1 . . . . . 73 ASP CB . 27774 1 310 . 1 . 1 73 73 ASP N N 15 125.771 0.3 . 1 . . . . . 73 ASP N . 27774 1 311 . 1 . 1 74 74 GLN H H 1 8.817 0.020 . 1 . . . . . 74 GLN H . 27774 1 312 . 1 . 1 74 74 GLN C C 13 174.143 0.3 . 1 . . . . . 74 GLN C . 27774 1 313 . 1 . 1 74 74 GLN CA C 13 58.423 0.3 . 1 . . . . . 74 GLN CA . 27774 1 314 . 1 . 1 74 74 GLN CB C 13 27.938 0.3 . 1 . . . . . 74 GLN CB . 27774 1 315 . 1 . 1 74 74 GLN N N 15 126.424 0.3 . 1 . . . . . 74 GLN N . 27774 1 316 . 1 . 1 75 75 LYS H H 1 8.556 0.020 . 1 . . . . . 75 LYS H . 27774 1 317 . 1 . 1 75 75 LYS C C 13 175.476 0.3 . 1 . . . . . 75 LYS C . 27774 1 318 . 1 . 1 75 75 LYS CA C 13 58.397 0.3 . 1 . . . . . 75 LYS CA . 27774 1 319 . 1 . 1 75 75 LYS CB C 13 30.379 0.3 . 1 . . . . . 75 LYS CB . 27774 1 320 . 1 . 1 75 75 LYS N N 15 119.291 0.3 . 1 . . . . . 75 LYS N . 27774 1 321 . 1 . 1 76 76 ILE H H 1 7.087 0.020 . 1 . . . . . 76 ILE H . 27774 1 322 . 1 . 1 76 76 ILE C C 13 174.308 0.3 . 1 . . . . . 76 ILE C . 27774 1 323 . 1 . 1 76 76 ILE CA C 13 61.800 0.3 . 1 . . . . . 76 ILE CA . 27774 1 324 . 1 . 1 76 76 ILE CB C 13 34.997 0.3 . 1 . . . . . 76 ILE CB . 27774 1 325 . 1 . 1 76 76 ILE N N 15 118.429 0.3 . 1 . . . . . 76 ILE N . 27774 1 326 . 1 . 1 77 77 ILE H H 1 7.512 0.020 . 1 . . . . . 77 ILE H . 27774 1 327 . 1 . 1 77 77 ILE C C 13 173.285 0.3 . 1 . . . . . 77 ILE C . 27774 1 328 . 1 . 1 77 77 ILE CA C 13 66.409 0.3 . 1 . . . . . 77 ILE CA . 27774 1 329 . 1 . 1 77 77 ILE CB C 13 36.612 0.3 . 1 . . . . . 77 ILE CB . 27774 1 330 . 1 . 1 77 77 ILE N N 15 118.488 0.3 . 1 . . . . . 77 ILE N . 27774 1 331 . 1 . 1 78 78 GLU H H 1 7.718 0.020 . 1 . . . . . 78 GLU H . 27774 1 332 . 1 . 1 78 78 GLU C C 13 175.408 0.3 . 1 . . . . . 78 GLU C . 27774 1 333 . 1 . 1 78 78 GLU CA C 13 59.024 0.3 . 1 . . . . . 78 GLU CA . 27774 1 334 . 1 . 1 78 78 GLU CB C 13 28.577 0.3 . 1 . . . . . 78 GLU CB . 27774 1 335 . 1 . 1 78 78 GLU N N 15 116.377 0.3 . 1 . . . . . 78 GLU N . 27774 1 336 . 1 . 1 79 79 ILE H H 1 7.317 0.020 . 1 . . . . . 79 ILE H . 27774 1 337 . 1 . 1 79 79 ILE C C 13 174.199 0.3 . 1 . . . . . 79 ILE C . 27774 1 338 . 1 . 1 79 79 ILE CA C 13 65.201 0.3 . 1 . . . . . 79 ILE CA . 27774 1 339 . 1 . 1 79 79 ILE CB C 13 36.419 0.3 . 1 . . . . . 79 ILE CB . 27774 1 340 . 1 . 1 79 79 ILE N N 15 118.829 0.3 . 1 . . . . . 79 ILE N . 27774 1 341 . 1 . 1 80 80 LEU H H 1 8.173 0.020 . 1 . . . . . 80 LEU H . 27774 1 342 . 1 . 1 80 80 LEU C C 13 175.876 0.3 . 1 . . . . . 80 LEU C . 27774 1 343 . 1 . 1 80 80 LEU CA C 13 57.562 0.3 . 1 . . . . . 80 LEU CA . 27774 1 344 . 1 . 1 80 80 LEU CB C 13 40.311 0.3 . 1 . . . . . 80 LEU CB . 27774 1 345 . 1 . 1 80 80 LEU N N 15 118.030 0.3 . 1 . . . . . 80 LEU N . 27774 1 346 . 1 . 1 81 81 LYS H H 1 7.884 0.020 . 1 . . . . . 81 LYS H . 27774 1 347 . 1 . 1 81 81 LYS C C 13 174.850 0.3 . 1 . . . . . 81 LYS C . 27774 1 348 . 1 . 1 81 81 LYS CA C 13 58.212 0.3 . 1 . . . . . 81 LYS CA . 27774 1 349 . 1 . 1 81 81 LYS CB C 13 31.877 0.3 . 1 . . . . . 81 LYS CB . 27774 1 350 . 1 . 1 81 81 LYS N N 15 113.909 0.3 . 1 . . . . . 81 LYS N . 27774 1 351 . 1 . 1 82 82 LYS H H 1 7.590 0.020 . 1 . . . . . 82 LYS H . 27774 1 352 . 1 . 1 82 82 LYS C C 13 175.253 0.3 . 1 . . . . . 82 LYS C . 27774 1 353 . 1 . 1 82 82 LYS CA C 13 57.346 0.3 . 1 . . . . . 82 LYS CA . 27774 1 354 . 1 . 1 82 82 LYS CB C 13 32.894 0.3 . 1 . . . . . 82 LYS CB . 27774 1 355 . 1 . 1 82 82 LYS N N 15 116.560 0.3 . 1 . . . . . 82 LYS N . 27774 1 356 . 1 . 1 83 83 GLU H H 1 8.295 0.020 . 1 . . . . . 83 GLU H . 27774 1 357 . 1 . 1 83 83 GLU C C 13 172.029 0.3 . 1 . . . . . 83 GLU C . 27774 1 358 . 1 . 1 83 83 GLU CA C 13 56.232 0.3 . 1 . . . . . 83 GLU CA . 27774 1 359 . 1 . 1 83 83 GLU CB C 13 28.557 0.3 . 1 . . . . . 83 GLU CB . 27774 1 360 . 1 . 1 83 83 GLU N N 15 116.240 0.3 . 1 . . . . . 83 GLU N . 27774 1 361 . 1 . 1 84 84 TYR H H 1 7.028 0.020 . 1 . . . . . 84 TYR H . 27774 1 362 . 1 . 1 84 84 TYR C C 13 171.827 0.3 . 1 . . . . . 84 TYR C . 27774 1 363 . 1 . 1 84 84 TYR CA C 13 56.201 0.3 . 1 . . . . . 84 TYR CA . 27774 1 364 . 1 . 1 84 84 TYR CB C 13 37.861 0.3 . 1 . . . . . 84 TYR CB . 27774 1 365 . 1 . 1 84 84 TYR N N 15 114.898 0.3 . 1 . . . . . 84 TYR N . 27774 1 366 . 1 . 1 85 85 SER H H 1 8.213 0.020 . 1 . . . . . 85 SER H . 27774 1 367 . 1 . 1 85 85 SER C C 13 170.819 0.3 . 1 . . . . . 85 SER C . 27774 1 368 . 1 . 1 85 85 SER CA C 13 55.552 0.3 . 1 . . . . . 85 SER CA . 27774 1 369 . 1 . 1 85 85 SER CB C 13 61.988 0.3 . 1 . . . . . 85 SER CB . 27774 1 370 . 1 . 1 85 85 SER N N 15 116.056 0.3 . 1 . . . . . 85 SER N . 27774 1 371 . 1 . 1 86 86 TRP H H 1 7.371 0.020 . 1 . . . . . 86 TRP H . 27774 1 372 . 1 . 1 86 86 TRP C C 13 174.130 0.3 . 1 . . . . . 86 TRP C . 27774 1 373 . 1 . 1 86 86 TRP CA C 13 55.706 0.3 . 1 . . . . . 86 TRP CA . 27774 1 374 . 1 . 1 86 86 TRP CB C 13 30.039 0.3 . 1 . . . . . 86 TRP CB . 27774 1 375 . 1 . 1 86 86 TRP N N 15 120.861 0.3 . 1 . . . . . 86 TRP N . 27774 1 376 . 1 . 1 87 87 ASN C C 13 172.695 0.3 . 1 . . . . . 87 ASN C . 27774 1 377 . 1 . 1 87 87 ASN CA C 13 52.941 0.3 . 1 . . . . . 87 ASN CA . 27774 1 378 . 1 . 1 87 87 ASN CB C 13 38.953 0.3 . 1 . . . . . 87 ASN CB . 27774 1 379 . 1 . 1 88 88 ASN H H 1 8.284 0.020 . 1 . . . . . 88 ASN H . 27774 1 380 . 1 . 1 88 88 ASN C C 13 169.672 0.3 . 1 . . . . . 88 ASN C . 27774 1 381 . 1 . 1 88 88 ASN CA C 13 52.243 0.3 . 1 . . . . . 88 ASN CA . 27774 1 382 . 1 . 1 88 88 ASN CB C 13 36.963 0.3 . 1 . . . . . 88 ASN CB . 27774 1 383 . 1 . 1 88 88 ASN N N 15 117.985 0.3 . 1 . . . . . 88 ASN N . 27774 1 384 . 1 . 1 89 89 VAL H H 1 6.978 0.020 . 1 . . . . . 89 VAL H . 27774 1 385 . 1 . 1 89 89 VAL C C 13 171.858 0.3 . 1 . . . . . 89 VAL C . 27774 1 386 . 1 . 1 89 89 VAL CA C 13 59.387 0.3 . 1 . . . . . 89 VAL CA . 27774 1 387 . 1 . 1 89 89 VAL CB C 13 33.448 0.3 . 1 . . . . . 89 VAL CB . 27774 1 388 . 1 . 1 89 89 VAL N N 15 116.805 0.3 . 1 . . . . . 89 VAL N . 27774 1 389 . 1 . 1 90 90 LYS H H 1 8.882 0.020 . 1 . . . . . 90 LYS H . 27774 1 390 . 1 . 1 90 90 LYS C C 13 170.649 0.3 . 1 . . . . . 90 LYS C . 27774 1 391 . 1 . 1 90 90 LYS CA C 13 53.355 0.3 . 1 . . . . . 90 LYS CA . 27774 1 392 . 1 . 1 90 90 LYS CB C 13 33.025 0.3 . 1 . . . . . 90 LYS CB . 27774 1 393 . 1 . 1 90 90 LYS N N 15 129.636 0.3 . 1 . . . . . 90 LYS N . 27774 1 394 . 1 . 1 91 91 ILE H H 1 8.609 0.020 . 1 . . . . . 91 ILE H . 27774 1 395 . 1 . 1 91 91 ILE C C 13 172.556 0.3 . 1 . . . . . 91 ILE C . 27774 1 396 . 1 . 1 91 91 ILE CA C 13 60.328 0.3 . 1 . . . . . 91 ILE CA . 27774 1 397 . 1 . 1 91 91 ILE CB C 13 37.435 0.3 . 1 . . . . . 91 ILE CB . 27774 1 398 . 1 . 1 91 91 ILE N N 15 126.750 0.3 . 1 . . . . . 91 ILE N . 27774 1 399 . 1 . 1 92 92 ILE H H 1 9.368 0.020 . 1 . . . . . 92 ILE H . 27774 1 400 . 1 . 1 92 92 ILE C C 13 170.407 0.3 . 1 . . . . . 92 ILE C . 27774 1 401 . 1 . 1 92 92 ILE CA C 13 60.054 0.3 . 1 . . . . . 92 ILE CA . 27774 1 402 . 1 . 1 92 92 ILE CB C 13 39.168 0.3 . 1 . . . . . 92 ILE CB . 27774 1 403 . 1 . 1 92 92 ILE N N 15 131.707 0.3 . 1 . . . . . 92 ILE N . 27774 1 404 . 1 . 1 93 93 GLN H H 1 8.475 0.020 . 1 . . . . . 93 GLN H . 27774 1 405 . 1 . 1 93 93 GLN C C 13 172.354 0.3 . 1 . . . . . 93 GLN C . 27774 1 406 . 1 . 1 93 93 GLN CA C 13 53.634 0.3 . 1 . . . . . 93 GLN CA . 27774 1 407 . 1 . 1 93 93 GLN CB C 13 27.740 0.3 . 1 . . . . . 93 GLN CB . 27774 1 408 . 1 . 1 93 93 GLN N N 15 127.365 0.3 . 1 . . . . . 93 GLN N . 27774 1 409 . 1 . 1 94 94 GLY H H 1 7.971 0.020 . 1 . . . . . 94 GLY H . 27774 1 410 . 1 . 1 94 94 GLY C C 13 166.540 0.3 . 1 . . . . . 94 GLY C . 27774 1 411 . 1 . 1 94 94 GLY CA C 13 43.859 0.3 . 1 . . . . . 94 GLY CA . 27774 1 412 . 1 . 1 94 94 GLY N N 15 112.505 0.3 . 1 . . . . . 94 GLY N . 27774 1 413 . 1 . 1 95 95 ASP H H 1 8.289 0.020 . 1 . . . . . 95 ASP H . 27774 1 414 . 1 . 1 95 95 ASP C C 13 173.455 0.3 . 1 . . . . . 95 ASP C . 27774 1 415 . 1 . 1 95 95 ASP CA C 13 52.551 0.3 . 1 . . . . . 95 ASP CA . 27774 1 416 . 1 . 1 95 95 ASP CB C 13 42.162 0.3 . 1 . . . . . 95 ASP CB . 27774 1 417 . 1 . 1 95 95 ASP N N 15 118.421 0.3 . 1 . . . . . 95 ASP N . 27774 1 418 . 1 . 1 96 96 ALA H H 1 8.790 0.020 . 1 . . . . . 96 ALA H . 27774 1 419 . 1 . 1 96 96 ALA C C 13 174.584 0.3 . 1 . . . . . 96 ALA C . 27774 1 420 . 1 . 1 96 96 ALA CA C 13 55.035 0.3 . 1 . . . . . 96 ALA CA . 27774 1 421 . 1 . 1 96 96 ALA CB C 13 19.670 0.3 . 1 . . . . . 96 ALA CB . 27774 1 422 . 1 . 1 96 96 ALA N N 15 126.014 0.3 . 1 . . . . . 96 ALA N . 27774 1 423 . 1 . 1 97 97 VAL H H 1 8.460 0.020 . 1 . . . . . 97 VAL H . 27774 1 424 . 1 . 1 97 97 VAL C C 13 173.129 0.3 . 1 . . . . . 97 VAL C . 27774 1 425 . 1 . 1 97 97 VAL CA C 13 64.120 0.3 . 1 . . . . . 97 VAL CA . 27774 1 426 . 1 . 1 97 97 VAL CB C 13 30.792 0.3 . 1 . . . . . 97 VAL CB . 27774 1 427 . 1 . 1 97 97 VAL N N 15 112.709 0.3 . 1 . . . . . 97 VAL N . 27774 1 428 . 1 . 1 98 98 ARG H H 1 7.921 0.020 . 1 . . . . . 98 ARG H . 27774 1 429 . 1 . 1 98 98 ARG C C 13 173.825 0.3 . 1 . . . . . 98 ARG C . 27774 1 430 . 1 . 1 98 98 ARG CA C 13 56.882 0.3 . 1 . . . . . 98 ARG CA . 27774 1 431 . 1 . 1 98 98 ARG CB C 13 31.178 0.3 . 1 . . . . . 98 ARG CB . 27774 1 432 . 1 . 1 98 98 ARG N N 15 120.165 0.3 . 1 . . . . . 98 ARG N . 27774 1 433 . 1 . 1 99 99 VAL H H 1 7.806 0.020 . 1 . . . . . 99 VAL H . 27774 1 434 . 1 . 1 99 99 VAL C C 13 170.897 0.3 . 1 . . . . . 99 VAL C . 27774 1 435 . 1 . 1 99 99 VAL CA C 13 61.089 0.3 . 1 . . . . . 99 VAL CA . 27774 1 436 . 1 . 1 99 99 VAL CB C 13 32.081 0.3 . 1 . . . . . 99 VAL CB . 27774 1 437 . 1 . 1 99 99 VAL N N 15 116.285 0.3 . 1 . . . . . 99 VAL N . 27774 1 438 . 1 . 1 100 100 GLU H H 1 8.155 0.020 . 1 . . . . . 100 GLU H . 27774 1 439 . 1 . 1 100 100 GLU C C 13 173.222 0.3 . 1 . . . . . 100 GLU C . 27774 1 440 . 1 . 1 100 100 GLU CA C 13 55.706 0.3 . 1 . . . . . 100 GLU CA . 27774 1 441 . 1 . 1 100 100 GLU CB C 13 28.669 0.3 . 1 . . . . . 100 GLU CB . 27774 1 442 . 1 . 1 100 100 GLU N N 15 122.878 0.3 . 1 . . . . . 100 GLU N . 27774 1 443 . 1 . 1 101 101 TRP H H 1 8.687 0.020 . 1 . . . . . 101 TRP H . 27774 1 444 . 1 . 1 101 101 TRP C C 13 171.192 0.3 . 1 . . . . . 101 TRP C . 27774 1 445 . 1 . 1 101 101 TRP CA C 13 52.363 0.3 . 1 . . . . . 101 TRP CA . 27774 1 446 . 1 . 1 101 101 TRP CB C 13 27.681 0.3 . 1 . . . . . 101 TRP CB . 27774 1 447 . 1 . 1 101 101 TRP N N 15 126.768 0.3 . 1 . . . . . 101 TRP N . 27774 1 448 . 1 . 1 102 102 PRO C C 13 171.095 0.3 . 1 . . . . . 102 PRO C . 27774 1 449 . 1 . 1 102 102 PRO CA C 13 61.027 0.3 . 1 . . . . . 102 PRO CA . 27774 1 450 . 1 . 1 102 102 PRO CB C 13 31.205 0.3 . 1 . . . . . 102 PRO CB . 27774 1 451 . 1 . 1 103 103 LYS H H 1 7.916 0.020 . 1 . . . . . 103 LYS H . 27774 1 452 . 1 . 1 103 103 LYS C C 13 171.988 0.3 . 1 . . . . . 103 LYS C . 27774 1 453 . 1 . 1 103 103 LYS CA C 13 56.511 0.3 . 1 . . . . . 103 LYS CA . 27774 1 454 . 1 . 1 103 103 LYS CB C 13 30.860 0.3 . 1 . . . . . 103 LYS CB . 27774 1 455 . 1 . 1 103 103 LYS N N 15 117.836 0.3 . 1 . . . . . 103 LYS N . 27774 1 456 . 1 . 1 104 104 PHE H H 1 7.358 0.020 . 1 . . . . . 104 PHE H . 27774 1 457 . 1 . 1 104 104 PHE C C 13 169.734 0.3 . 1 . . . . . 104 PHE C . 27774 1 458 . 1 . 1 104 104 PHE CA C 13 55.683 0.3 . 1 . . . . . 104 PHE CA . 27774 1 459 . 1 . 1 104 104 PHE CB C 13 39.444 0.3 . 1 . . . . . 104 PHE CB . 27774 1 460 . 1 . 1 104 104 PHE N N 15 119.434 0.3 . 1 . . . . . 104 PHE N . 27774 1 461 . 1 . 1 105 105 ASN H H 1 9.425 0.020 . 1 . . . . . 105 ASN H . 27774 1 462 . 1 . 1 105 105 ASN C C 13 172.122 0.3 . 1 . . . . . 105 ASN C . 27774 1 463 . 1 . 1 105 105 ASN CA C 13 53.912 0.3 . 1 . . . . . 105 ASN CA . 27774 1 464 . 1 . 1 105 105 ASN CB C 13 39.710 0.3 . 1 . . . . . 105 ASN CB . 27774 1 465 . 1 . 1 105 105 ASN N N 15 113.518 0.3 . 1 . . . . . 105 ASN N . 27774 1 466 . 1 . 1 106 106 LYS H H 1 8.333 0.020 . 1 . . . . . 106 LYS H . 27774 1 467 . 1 . 1 106 106 LYS C C 13 170.553 0.3 . 1 . . . . . 106 LYS C . 27774 1 468 . 1 . 1 106 106 LYS CA C 13 54.437 0.3 . 1 . . . . . 106 LYS CA . 27774 1 469 . 1 . 1 106 106 LYS CB C 13 38.110 0.3 . 1 . . . . . 106 LYS CB . 27774 1 470 . 1 . 1 106 106 LYS N N 15 120.370 0.3 . 1 . . . . . 106 LYS N . 27774 1 471 . 1 . 1 109 109 SER C C 13 170.977 0.3 . 1 . . . . . 109 SER C . 27774 1 472 . 1 . 1 109 109 SER CA C 13 58.026 0.3 . 1 . . . . . 109 SER CA . 27774 1 473 . 1 . 1 109 109 SER CB C 13 67.081 0.3 . 1 . . . . . 109 SER CB . 27774 1 474 . 1 . 1 110 110 ASN H H 1 9.136 0.020 . 1 . . . . . 110 ASN H . 27774 1 475 . 1 . 1 110 110 ASN C C 13 171.920 0.3 . 1 . . . . . 110 ASN C . 27774 1 476 . 1 . 1 110 110 ASN CA C 13 53.448 0.3 . 1 . . . . . 110 ASN CA . 27774 1 477 . 1 . 1 110 110 ASN CB C 13 38.591 0.3 . 1 . . . . . 110 ASN CB . 27774 1 478 . 1 . 1 110 110 ASN N N 15 125.299 0.3 . 1 . . . . . 110 ASN N . 27774 1 479 . 1 . 1 111 111 ILE H H 1 7.976 0.020 . 1 . . . . . 111 ILE H . 27774 1 480 . 1 . 1 111 111 ILE C C 13 169.936 0.3 . 1 . . . . . 111 ILE C . 27774 1 481 . 1 . 1 111 111 ILE CA C 13 55.211 0.3 . 1 . . . . . 111 ILE CA . 27774 1 482 . 1 . 1 111 111 ILE CB C 13 35.614 0.3 . 1 . . . . . 111 ILE CB . 27774 1 483 . 1 . 1 111 111 ILE N N 15 126.713 0.3 . 1 . . . . . 111 ILE N . 27774 1 484 . 1 . 1 112 112 PRO C C 13 175.384 0.3 . 1 . . . . . 112 PRO C . 27774 1 485 . 1 . 1 112 112 PRO CA C 13 62.385 0.3 . 1 . . . . . 112 PRO CA . 27774 1 486 . 1 . 1 112 112 PRO CB C 13 31.667 0.3 . 1 . . . . . 112 PRO CB . 27774 1 487 . 1 . 1 113 113 TYR H H 1 8.275 0.020 . 1 . . . . . 113 TYR H . 27774 1 488 . 1 . 1 113 113 TYR C C 13 176.215 0.3 . 1 . . . . . 113 TYR C . 27774 1 489 . 1 . 1 113 113 TYR CA C 13 60.061 0.3 . 1 . . . . . 113 TYR CA . 27774 1 490 . 1 . 1 113 113 TYR CB C 13 36.871 0.3 . 1 . . . . . 113 TYR CB . 27774 1 491 . 1 . 1 113 113 TYR N N 15 123.904 0.3 . 1 . . . . . 113 TYR N . 27774 1 492 . 1 . 1 114 114 LYS H H 1 8.462 0.020 . 1 . . . . . 114 LYS H . 27774 1 493 . 1 . 1 114 114 LYS C C 13 174.428 0.3 . 1 . . . . . 114 LYS C . 27774 1 494 . 1 . 1 114 114 LYS CA C 13 58.397 0.3 . 1 . . . . . 114 LYS CA . 27774 1 495 . 1 . 1 114 114 LYS CB C 13 31.516 0.3 . 1 . . . . . 114 LYS CB . 27774 1 496 . 1 . 1 114 114 LYS N N 15 117.651 0.3 . 1 . . . . . 114 LYS N . 27774 1 497 . 1 . 1 115 115 ILE H H 1 7.160 0.020 . 1 . . . . . 115 ILE H . 27774 1 498 . 1 . 1 115 115 ILE C C 13 172.091 0.3 . 1 . . . . . 115 ILE C . 27774 1 499 . 1 . 1 115 115 ILE CA C 13 59.666 0.3 . 1 . . . . . 115 ILE CA . 27774 1 500 . 1 . 1 115 115 ILE CB C 13 38.006 0.3 . 1 . . . . . 115 ILE CB . 27774 1 501 . 1 . 1 115 115 ILE N N 15 107.565 0.3 . 1 . . . . . 115 ILE N . 27774 1 502 . 1 . 1 116 116 SER H H 1 7.445 0.020 . 1 . . . . . 116 SER H . 27774 1 503 . 1 . 1 116 116 SER C C 13 172.110 0.3 . 1 . . . . . 116 SER C . 27774 1 504 . 1 . 1 116 116 SER CA C 13 63.501 0.3 . 1 . . . . . 116 SER CA . 27774 1 505 . 1 . 1 116 116 SER CB C 13 61.649 0.3 . 1 . . . . . 116 SER CB . 27774 1 506 . 1 . 1 116 116 SER N N 15 117.842 0.3 . 1 . . . . . 116 SER N . 27774 1 507 . 1 . 1 118 118 PRO C C 13 176.703 0.3 . 1 . . . . . 118 PRO C . 27774 1 508 . 1 . 1 118 118 PRO CA C 13 65.747 0.3 . 1 . . . . . 118 PRO CA . 27774 1 509 . 1 . 1 118 118 PRO CB C 13 29.847 0.3 . 1 . . . . . 118 PRO CB . 27774 1 510 . 1 . 1 119 119 PHE H H 1 8.705 0.020 . 1 . . . . . 119 PHE H . 27774 1 511 . 1 . 1 119 119 PHE C C 13 171.703 0.3 . 1 . . . . . 119 PHE C . 27774 1 512 . 1 . 1 119 119 PHE CA C 13 62.078 0.3 . 1 . . . . . 119 PHE CA . 27774 1 513 . 1 . 1 119 119 PHE CB C 13 39.278 0.3 . 1 . . . . . 119 PHE CB . 27774 1 514 . 1 . 1 119 119 PHE N N 15 116.731 0.3 . 1 . . . . . 119 PHE N . 27774 1 515 . 1 . 1 120 120 THR C C 13 171.922 0.3 . 1 . . . . . 120 THR C . 27774 1 516 . 1 . 1 120 120 THR CA C 13 68.135 0.3 . 1 . . . . . 120 THR CA . 27774 1 517 . 1 . 1 120 120 THR CB C 13 19.841 0.3 . 1 . . . . . 120 THR CB . 27774 1 518 . 1 . 1 121 121 PHE H H 1 8.130 0.020 . 1 . . . . . 121 PHE H . 27774 1 519 . 1 . 1 121 121 PHE C C 13 173.858 0.3 . 1 . . . . . 121 PHE C . 27774 1 520 . 1 . 1 121 121 PHE CA C 13 62.357 0.3 . 1 . . . . . 121 PHE CA . 27774 1 521 . 1 . 1 121 121 PHE CB C 13 37.574 0.3 . 1 . . . . . 121 PHE CB . 27774 1 522 . 1 . 1 121 121 PHE N N 15 117.432 0.3 . 1 . . . . . 121 PHE N . 27774 1 523 . 1 . 1 122 122 LYS H H 1 7.361 0.020 . 1 . . . . . 122 LYS H . 27774 1 524 . 1 . 1 122 122 LYS C C 13 175.502 0.3 . 1 . . . . . 122 LYS C . 27774 1 525 . 1 . 1 122 122 LYS CA C 13 59.299 0.3 . 1 . . . . . 122 LYS CA . 27774 1 526 . 1 . 1 122 122 LYS CB C 13 32.013 0.3 . 1 . . . . . 122 LYS CB . 27774 1 527 . 1 . 1 122 122 LYS N N 15 118.961 0.3 . 1 . . . . . 122 LYS N . 27774 1 528 . 1 . 1 123 123 LEU H H 1 8.324 0.020 . 1 . . . . . 123 LEU H . 27774 1 529 . 1 . 1 123 123 LEU C C 13 175.102 0.3 . 1 . . . . . 123 LEU C . 27774 1 530 . 1 . 1 123 123 LEU CA C 13 57.784 0.3 . 1 . . . . . 123 LEU CA . 27774 1 531 . 1 . 1 123 123 LEU CB C 13 40.431 0.3 . 1 . . . . . 123 LEU CB . 27774 1 532 . 1 . 1 123 123 LEU N N 15 120.890 0.3 . 1 . . . . . 123 LEU N . 27774 1 533 . 1 . 1 124 124 LEU H H 1 7.978 0.020 . 1 . . . . . 124 LEU H . 27774 1 534 . 1 . 1 124 124 LEU C C 13 173.712 0.3 . 1 . . . . . 124 LEU C . 27774 1 535 . 1 . 1 124 124 LEU CA C 13 56.498 0.3 . 1 . . . . . 124 LEU CA . 27774 1 536 . 1 . 1 124 124 LEU CB C 13 40.422 0.3 . 1 . . . . . 124 LEU CB . 27774 1 537 . 1 . 1 124 124 LEU N N 15 113.241 0.3 . 1 . . . . . 124 LEU N . 27774 1 538 . 1 . 1 125 125 LYS H H 1 7.148 0.020 . 1 . . . . . 125 LYS H . 27774 1 539 . 1 . 1 125 125 LYS C C 13 173.021 0.3 . 1 . . . . . 125 LYS C . 27774 1 540 . 1 . 1 125 125 LYS CA C 13 55.830 0.3 . 1 . . . . . 125 LYS CA . 27774 1 541 . 1 . 1 125 125 LYS CB C 13 31.742 0.3 . 1 . . . . . 125 LYS CB . 27774 1 542 . 1 . 1 125 125 LYS N N 15 116.000 0.3 . 1 . . . . . 125 LYS N . 27774 1 543 . 1 . 1 126 126 THR H H 1 8.045 0.020 . 1 . . . . . 126 THR H . 27774 1 544 . 1 . 1 126 126 THR C C 13 169.579 0.3 . 1 . . . . . 126 THR C . 27774 1 545 . 1 . 1 126 126 THR CA C 13 61.614 0.3 . 1 . . . . . 126 THR CA . 27774 1 546 . 1 . 1 126 126 THR CB C 13 70.754 0.3 . 1 . . . . . 126 THR CB . 27774 1 547 . 1 . 1 126 126 THR N N 15 115.759 0.3 . 1 . . . . . 126 THR N . 27774 1 548 . 1 . 1 127 127 ASP H H 1 8.327 0.020 . 1 . . . . . 127 ASP H . 27774 1 549 . 1 . 1 127 127 ASP C C 13 170.928 0.3 . 1 . . . . . 127 ASP C . 27774 1 550 . 1 . 1 127 127 ASP CA C 13 53.819 0.3 . 1 . . . . . 127 ASP CA . 27774 1 551 . 1 . 1 127 127 ASP CB C 13 40.286 0.3 . 1 . . . . . 127 ASP CB . 27774 1 552 . 1 . 1 127 127 ASP N N 15 121.820 0.3 . 1 . . . . . 127 ASP N . 27774 1 553 . 1 . 1 128 128 PHE H H 1 7.282 0.020 . 1 . . . . . 128 PHE H . 27774 1 554 . 1 . 1 128 128 PHE C C 13 169.099 0.3 . 1 . . . . . 128 PHE C . 27774 1 555 . 1 . 1 128 128 PHE CA C 13 56.047 0.3 . 1 . . . . . 128 PHE CA . 27774 1 556 . 1 . 1 128 128 PHE CB C 13 39.269 0.3 . 1 . . . . . 128 PHE CB . 27774 1 557 . 1 . 1 128 128 PHE N N 15 117.556 0.3 . 1 . . . . . 128 PHE N . 27774 1 558 . 1 . 1 129 129 GLU H H 1 9.341 0.020 . 1 . . . . . 129 GLU H . 27774 1 559 . 1 . 1 129 129 GLU C C 13 173.269 0.3 . 1 . . . . . 129 GLU C . 27774 1 560 . 1 . 1 129 129 GLU CA C 13 57.191 0.3 . 1 . . . . . 129 GLU CA . 27774 1 561 . 1 . 1 129 129 GLU CB C 13 30.928 0.3 . 1 . . . . . 129 GLU CB . 27774 1 562 . 1 . 1 129 129 GLU N N 15 118.117 0.3 . 1 . . . . . 129 GLU N . 27774 1 563 . 1 . 1 130 130 ARG H H 1 7.514 0.020 . 1 . . . . . 130 ARG H . 27774 1 564 . 1 . 1 130 130 ARG C C 13 170.106 0.3 . 1 . . . . . 130 ARG C . 27774 1 565 . 1 . 1 130 130 ARG CA C 13 56.511 0.3 . 1 . . . . . 130 ARG CA . 27774 1 566 . 1 . 1 130 130 ARG CB C 13 33.912 0.3 . 1 . . . . . 130 ARG CB . 27774 1 567 . 1 . 1 130 130 ARG N N 15 114.784 0.3 . 1 . . . . . 130 ARG N . 27774 1 568 . 1 . 1 131 131 ALA H H 1 9.472 0.020 . 1 . . . . . 131 ALA H . 27774 1 569 . 1 . 1 131 131 ALA C C 13 170.643 0.3 . 1 . . . . . 131 ALA C . 27774 1 570 . 1 . 1 131 131 ALA CA C 13 50.050 0.3 . 1 . . . . . 131 ALA CA . 27774 1 571 . 1 . 1 131 131 ALA CB C 13 21.840 0.3 . 1 . . . . . 131 ALA CB . 27774 1 572 . 1 . 1 131 131 ALA N N 15 126.689 0.3 . 1 . . . . . 131 ALA N . 27774 1 573 . 1 . 1 132 132 VAL H H 1 8.954 0.020 . 1 . . . . . 132 VAL H . 27774 1 574 . 1 . 1 132 132 VAL CA C 13 61.437 0.3 . 1 . . . . . 132 VAL CA . 27774 1 575 . 1 . 1 132 132 VAL N N 15 124.595 0.3 . 1 . . . . . 132 VAL N . 27774 1 576 . 1 . 1 133 133 VAL H H 1 8.907 0.020 . 1 . . . . . 133 VAL H . 27774 1 577 . 1 . 1 133 133 VAL CA C 13 56.896 0.3 . 1 . . . . . 133 VAL CA . 27774 1 578 . 1 . 1 133 133 VAL N N 15 118.992 0.3 . 1 . . . . . 133 VAL N . 27774 1 579 . 1 . 1 135 135 TYR C C 13 172.965 0.3 . 1 . . . . . 135 TYR C . 27774 1 580 . 1 . 1 135 135 TYR CA C 13 54.425 0.3 . 1 . . . . . 135 TYR CA . 27774 1 581 . 1 . 1 135 135 TYR CB C 13 44.401 0.3 . 1 . . . . . 135 TYR CB . 27774 1 582 . 1 . 1 136 136 GLN H H 1 8.835 0.020 . 1 . . . . . 136 GLN H . 27774 1 583 . 1 . 1 136 136 GLN C C 13 174.385 0.3 . 1 . . . . . 136 GLN C . 27774 1 584 . 1 . 1 136 136 GLN CA C 13 57.421 0.3 . 1 . . . . . 136 GLN CA . 27774 1 585 . 1 . 1 136 136 GLN CB C 13 27.616 0.3 . 1 . . . . . 136 GLN CB . 27774 1 586 . 1 . 1 136 136 GLN N N 15 119.285 0.3 . 1 . . . . . 136 GLN N . 27774 1 587 . 1 . 1 137 137 LEU H H 1 9.035 0.020 . 1 . . . . . 137 LEU H . 27774 1 588 . 1 . 1 137 137 LEU C C 13 173.998 0.3 . 1 . . . . . 137 LEU C . 27774 1 589 . 1 . 1 137 137 LEU CA C 13 58.774 0.3 . 1 . . . . . 137 LEU CA . 27774 1 590 . 1 . 1 137 137 LEU CB C 13 40.761 0.3 . 1 . . . . . 137 LEU CB . 27774 1 591 . 1 . 1 137 137 LEU N N 15 126.609 0.3 . 1 . . . . . 137 LEU N . 27774 1 592 . 1 . 1 138 138 GLU H H 1 8.776 0.020 . 1 . . . . . 138 GLU H . 27774 1 593 . 1 . 1 138 138 GLU C C 13 174.804 0.3 . 1 . . . . . 138 GLU C . 27774 1 594 . 1 . 1 138 138 GLU CA C 13 59.480 0.3 . 1 . . . . . 138 GLU CA . 27774 1 595 . 1 . 1 138 138 GLU CB C 13 28.207 0.3 . 1 . . . . . 138 GLU CB . 27774 1 596 . 1 . 1 138 138 GLU N N 15 115.137 0.3 . 1 . . . . . 138 GLU N . 27774 1 597 . 1 . 1 139 139 PHE H H 1 7.169 0.020 . 1 . . . . . 139 PHE H . 27774 1 598 . 1 . 1 139 139 PHE C C 13 173.471 0.3 . 1 . . . . . 139 PHE C . 27774 1 599 . 1 . 1 139 139 PHE CA C 13 61.212 0.3 . 1 . . . . . 139 PHE CA . 27774 1 600 . 1 . 1 139 139 PHE CB C 13 38.862 0.3 . 1 . . . . . 139 PHE CB . 27774 1 601 . 1 . 1 139 139 PHE N N 15 119.433 0.3 . 1 . . . . . 139 PHE N . 27774 1 602 . 1 . 1 140 140 ALA H H 1 7.976 0.020 . 1 . . . . . 140 ALA H . 27774 1 603 . 1 . 1 140 140 ALA C C 13 175.362 0.3 . 1 . . . . . 140 ALA C . 27774 1 604 . 1 . 1 140 140 ALA CA C 13 54.840 0.3 . 1 . . . . . 140 ALA CA . 27774 1 605 . 1 . 1 140 140 ALA CB C 13 18.264 0.3 . 1 . . . . . 140 ALA CB . 27774 1 606 . 1 . 1 140 140 ALA N N 15 120.548 0.3 . 1 . . . . . 140 ALA N . 27774 1 607 . 1 . 1 141 141 LEU H H 1 8.472 0.020 . 1 . . . . . 141 LEU H . 27774 1 608 . 1 . 1 141 141 LEU C C 13 176.587 0.3 . 1 . . . . . 141 LEU C . 27774 1 609 . 1 . 1 141 141 LEU CA C 13 56.696 0.3 . 1 . . . . . 141 LEU CA . 27774 1 610 . 1 . 1 141 141 LEU CB C 13 40.015 0.3 . 1 . . . . . 141 LEU CB . 27774 1 611 . 1 . 1 141 141 LEU N N 15 114.182 0.3 . 1 . . . . . 141 LEU N . 27774 1 612 . 1 . 1 142 142 ARG H H 1 7.371 0.020 . 1 . . . . . 142 ARG H . 27774 1 613 . 1 . 1 142 142 ARG C C 13 175.455 0.3 . 1 . . . . . 142 ARG C . 27774 1 614 . 1 . 1 142 142 ARG CA C 13 58.686 0.3 . 1 . . . . . 142 ARG CA . 27774 1 615 . 1 . 1 142 142 ARG CB C 13 29.177 0.3 . 1 . . . . . 142 ARG CB . 27774 1 616 . 1 . 1 142 142 ARG N N 15 118.539 0.3 . 1 . . . . . 142 ARG N . 27774 1 617 . 1 . 1 143 143 MET H H 1 7.629 0.020 . 1 . . . . . 143 MET H . 27774 1 618 . 1 . 1 143 143 MET C C 13 172.199 0.3 . 1 . . . . . 143 MET C . 27774 1 619 . 1 . 1 143 143 MET CA C 13 59.346 0.3 . 1 . . . . . 143 MET CA . 27774 1 620 . 1 . 1 143 143 MET CB C 13 32.528 0.3 . 1 . . . . . 143 MET CB . 27774 1 621 . 1 . 1 143 143 MET N N 15 119.617 0.3 . 1 . . . . . 143 MET N . 27774 1 622 . 1 . 1 144 144 VAL H H 1 6.863 0.020 . 1 . . . . . 144 VAL H . 27774 1 623 . 1 . 1 144 144 VAL C C 13 172.323 0.3 . 1 . . . . . 144 VAL C . 27774 1 624 . 1 . 1 144 144 VAL CA C 13 59.851 0.3 . 1 . . . . . 144 VAL CA . 27774 1 625 . 1 . 1 144 144 VAL CB C 13 30.504 0.3 . 1 . . . . . 144 VAL CB . 27774 1 626 . 1 . 1 144 144 VAL N N 15 103.392 0.3 . 1 . . . . . 144 VAL N . 27774 1 627 . 1 . 1 145 145 ALA H H 1 6.876 0.020 . 1 . . . . . 145 ALA H . 27774 1 628 . 1 . 1 145 145 ALA C C 13 173.021 0.3 . 1 . . . . . 145 ALA C . 27774 1 629 . 1 . 1 145 145 ALA CA C 13 52.289 0.3 . 1 . . . . . 145 ALA CA . 27774 1 630 . 1 . 1 145 145 ALA CB C 13 17.975 0.3 . 1 . . . . . 145 ALA CB . 27774 1 631 . 1 . 1 145 145 ALA N N 15 126.558 0.3 . 1 . . . . . 145 ALA N . 27774 1 632 . 1 . 1 146 146 LYS H H 1 8.252 0.020 . 1 . . . . . 146 LYS H . 27774 1 633 . 1 . 1 146 146 LYS C C 13 171.827 0.3 . 1 . . . . . 146 LYS C . 27774 1 634 . 1 . 1 146 146 LYS CA C 13 53.253 0.3 . 1 . . . . . 146 LYS CA . 27774 1 635 . 1 . 1 146 146 LYS CB C 13 30.707 0.3 . 1 . . . . . 146 LYS CB . 27774 1 636 . 1 . 1 146 146 LYS N N 15 120.042 0.3 . 1 . . . . . 146 LYS N . 27774 1 637 . 1 . 1 147 147 PRO C C 13 173.732 0.3 . 1 . . . . . 147 PRO C . 27774 1 638 . 1 . 1 147 147 PRO CA C 13 62.789 0.3 . 1 . . . . . 147 PRO CA . 27774 1 639 . 1 . 1 147 147 PRO CB C 13 30.648 0.3 . 1 . . . . . 147 PRO CB . 27774 1 640 . 1 . 1 148 148 GLY H H 1 8.414 0.020 . 1 . . . . . 148 GLY H . 27774 1 641 . 1 . 1 148 148 GLY C C 13 170.137 0.3 . 1 . . . . . 148 GLY C . 27774 1 642 . 1 . 1 148 148 GLY CA C 13 44.538 0.3 . 1 . . . . . 148 GLY CA . 27774 1 643 . 1 . 1 148 148 GLY N N 15 110.530 0.3 . 1 . . . . . 148 GLY N . 27774 1 644 . 1 . 1 149 149 SER H H 1 7.997 0.020 . 1 . . . . . 149 SER H . 27774 1 645 . 1 . 1 149 149 SER C C 13 172.091 0.3 . 1 . . . . . 149 SER C . 27774 1 646 . 1 . 1 149 149 SER CA C 13 57.779 0.3 . 1 . . . . . 149 SER CA . 27774 1 647 . 1 . 1 149 149 SER CB C 13 64.672 0.3 . 1 . . . . . 149 SER CB . 27774 1 648 . 1 . 1 149 149 SER N N 15 115.914 0.3 . 1 . . . . . 149 SER N . 27774 1 649 . 1 . 1 150 150 ARG C C 13 173.456 0.3 . 1 . . . . . 150 ARG C . 27774 1 650 . 1 . 1 150 150 ARG CA C 13 58.521 0.3 . 1 . . . . . 150 ARG CA . 27774 1 651 . 1 . 1 150 150 ARG CB C 13 29.492 0.3 . 1 . . . . . 150 ARG CB . 27774 1 652 . 1 . 1 151 151 ASN H H 1 8.217 0.020 . 1 . . . . . 151 ASN H . 27774 1 653 . 1 . 1 151 151 ASN C C 13 170.866 0.3 . 1 . . . . . 151 ASN C . 27774 1 654 . 1 . 1 151 151 ASN CA C 13 51.685 0.3 . 1 . . . . . 151 ASN CA . 27774 1 655 . 1 . 1 151 151 ASN CB C 13 37.792 0.3 . 1 . . . . . 151 ASN CB . 27774 1 656 . 1 . 1 151 151 ASN N N 15 112.609 0.3 . 1 . . . . . 151 ASN N . 27774 1 657 . 1 . 1 152 152 TYR H H 1 7.295 0.020 . 1 . . . . . 152 TYR H . 27774 1 658 . 1 . 1 152 152 TYR C C 13 171.719 0.3 . 1 . . . . . 152 TYR C . 27774 1 659 . 1 . 1 152 152 TYR CA C 13 60.161 0.3 . 1 . . . . . 152 TYR CA . 27774 1 660 . 1 . 1 152 152 TYR CB C 13 37.851 0.3 . 1 . . . . . 152 TYR CB . 27774 1 661 . 1 . 1 152 152 TYR N N 15 121.601 0.3 . 1 . . . . . 152 TYR N . 27774 1 662 . 1 . 1 153 153 SER H H 1 8.107 0.020 . 1 . . . . . 153 SER H . 27774 1 663 . 1 . 1 153 153 SER C C 13 168.680 0.3 . 1 . . . . . 153 SER C . 27774 1 664 . 1 . 1 153 153 SER CA C 13 56.387 0.3 . 1 . . . . . 153 SER CA . 27774 1 665 . 1 . 1 153 153 SER CB C 13 66.192 0.3 . 1 . . . . . 153 SER CB . 27774 1 666 . 1 . 1 153 153 SER N N 15 122.170 0.3 . 1 . . . . . 153 SER N . 27774 1 667 . 1 . 1 154 154 ARG H H 1 8.230 0.020 . 1 . . . . . 154 ARG H . 27774 1 668 . 1 . 1 154 154 ARG C C 13 173.181 0.3 . 1 . . . . . 154 ARG C . 27774 1 669 . 1 . 1 154 154 ARG CA C 13 59.047 0.3 . 1 . . . . . 154 ARG CA . 27774 1 670 . 1 . 1 154 154 ARG CB C 13 29.125 0.3 . 1 . . . . . 154 ARG CB . 27774 1 671 . 1 . 1 154 154 ARG N N 15 121.082 0.3 . 1 . . . . . 154 ARG N . 27774 1 672 . 1 . 1 155 155 LEU H H 1 7.631 0.020 . 1 . . . . . 155 LEU H . 27774 1 673 . 1 . 1 155 155 LEU C C 13 172.618 0.3 . 1 . . . . . 155 LEU C . 27774 1 674 . 1 . 1 155 155 LEU CA C 13 57.810 0.3 . 1 . . . . . 155 LEU CA . 27774 1 675 . 1 . 1 155 155 LEU CB C 13 41.238 0.3 . 1 . . . . . 155 LEU CB . 27774 1 676 . 1 . 1 155 155 LEU N N 15 117.774 0.3 . 1 . . . . . 155 LEU N . 27774 1 677 . 1 . 1 156 156 SER H H 1 6.628 0.020 . 1 . . . . . 156 SER H . 27774 1 678 . 1 . 1 156 156 SER C C 13 172.385 0.3 . 1 . . . . . 156 SER C . 27774 1 679 . 1 . 1 156 156 SER CA C 13 58.707 0.3 . 1 . . . . . 156 SER CA . 27774 1 680 . 1 . 1 156 156 SER CB C 13 62.327 0.3 . 1 . . . . . 156 SER CB . 27774 1 681 . 1 . 1 156 156 SER N N 15 111.025 0.3 . 1 . . . . . 156 SER N . 27774 1 682 . 1 . 1 157 157 LEU H H 1 7.237 0.020 . 1 . . . . . 157 LEU H . 27774 1 683 . 1 . 1 157 157 LEU C C 13 175.036 0.3 . 1 . . . . . 157 LEU C . 27774 1 684 . 1 . 1 157 157 LEU CA C 13 57.995 0.3 . 1 . . . . . 157 LEU CA . 27774 1 685 . 1 . 1 157 157 LEU CB C 13 40.596 0.3 . 1 . . . . . 157 LEU CB . 27774 1 686 . 1 . 1 157 157 LEU N N 15 118.713 0.3 . 1 . . . . . 157 LEU N . 27774 1 687 . 1 . 1 158 158 MET H H 1 8.121 0.020 . 1 . . . . . 158 MET H . 27774 1 688 . 1 . 1 158 158 MET C C 13 175.284 0.3 . 1 . . . . . 158 MET C . 27774 1 689 . 1 . 1 158 158 MET CA C 13 57.013 0.3 . 1 . . . . . 158 MET CA . 27774 1 690 . 1 . 1 158 158 MET CB C 13 30.379 0.3 . 1 . . . . . 158 MET CB . 27774 1 691 . 1 . 1 158 158 MET N N 15 114.263 0.3 . 1 . . . . . 158 MET N . 27774 1 692 . 1 . 1 159 159 ALA H H 1 8.564 0.020 . 1 . . . . . 159 ALA H . 27774 1 693 . 1 . 1 159 159 ALA C C 13 175.266 0.3 . 1 . . . . . 159 ALA C . 27774 1 694 . 1 . 1 159 159 ALA CA C 13 55.068 0.3 . 1 . . . . . 159 ALA CA . 27774 1 695 . 1 . 1 159 159 ALA CB C 13 16.785 0.3 . 1 . . . . . 159 ALA CB . 27774 1 696 . 1 . 1 159 159 ALA N N 15 120.255 0.3 . 1 . . . . . 159 ALA N . 27774 1 697 . 1 . 1 160 160 GLN H H 1 7.993 0.020 . 1 . . . . . 160 GLN H . 27774 1 698 . 1 . 1 160 160 GLN C C 13 174.957 0.3 . 1 . . . . . 160 GLN C . 27774 1 699 . 1 . 1 160 160 GLN CA C 13 56.982 0.3 . 1 . . . . . 160 GLN CA . 27774 1 700 . 1 . 1 160 160 GLN CB C 13 27.396 0.3 . 1 . . . . . 160 GLN CB . 27774 1 701 . 1 . 1 160 160 GLN N N 15 113.861 0.3 . 1 . . . . . 160 GLN N . 27774 1 702 . 1 . 1 161 161 ALA H H 1 8.430 0.020 . 1 . . . . . 161 ALA H . 27774 1 703 . 1 . 1 161 161 ALA C C 13 174.153 0.3 . 1 . . . . . 161 ALA C . 27774 1 704 . 1 . 1 161 161 ALA CA C 13 54.581 0.3 . 1 . . . . . 161 ALA CA . 27774 1 705 . 1 . 1 161 161 ALA CB C 13 17.739 0.3 . 1 . . . . . 161 ALA CB . 27774 1 706 . 1 . 1 161 161 ALA N N 15 121.847 0.3 . 1 . . . . . 161 ALA N . 27774 1 707 . 1 . 1 162 162 LEU H H 1 7.299 0.020 . 1 . . . . . 162 LEU H . 27774 1 708 . 1 . 1 162 162 LEU C C 13 174.263 0.3 . 1 . . . . . 162 LEU C . 27774 1 709 . 1 . 1 162 162 LEU CA C 13 54.935 0.3 . 1 . . . . . 162 LEU CA . 27774 1 710 . 1 . 1 162 162 LEU CB C 13 43.425 0.3 . 1 . . . . . 162 LEU CB . 27774 1 711 . 1 . 1 162 162 LEU N N 15 113.199 0.3 . 1 . . . . . 162 LEU N . 27774 1 712 . 1 . 1 163 163 GLY H H 1 8.397 0.020 . 1 . . . . . 163 GLY H . 27774 1 713 . 1 . 1 163 163 GLY C C 13 166.959 0.3 . 1 . . . . . 163 GLY C . 27774 1 714 . 1 . 1 163 163 GLY CA C 13 44.849 0.3 . 1 . . . . . 163 GLY CA . 27774 1 715 . 1 . 1 163 163 GLY N N 15 107.909 0.3 . 1 . . . . . 163 GLY N . 27774 1 716 . 1 . 1 164 164 ASN H H 1 8.785 0.020 . 1 . . . . . 164 ASN H . 27774 1 717 . 1 . 1 164 164 ASN C C 13 171.130 0.3 . 1 . . . . . 164 ASN C . 27774 1 718 . 1 . 1 164 164 ASN CA C 13 52.609 0.3 . 1 . . . . . 164 ASN CA . 27774 1 719 . 1 . 1 164 164 ASN CB C 13 39.608 0.3 . 1 . . . . . 164 ASN CB . 27774 1 720 . 1 . 1 164 164 ASN N N 15 117.598 0.3 . 1 . . . . . 164 ASN N . 27774 1 721 . 1 . 1 165 165 VAL H H 1 8.424 0.020 . 1 . . . . . 165 VAL H . 27774 1 722 . 1 . 1 165 165 VAL C C 13 171.036 0.3 . 1 . . . . . 165 VAL C . 27774 1 723 . 1 . 1 165 165 VAL CA C 13 60.037 0.3 . 1 . . . . . 165 VAL CA . 27774 1 724 . 1 . 1 165 165 VAL CB C 13 32.766 0.3 . 1 . . . . . 165 VAL CB . 27774 1 725 . 1 . 1 165 165 VAL N N 15 123.815 0.3 . 1 . . . . . 165 VAL N . 27774 1 726 . 1 . 1 166 166 GLU H H 1 8.916 0.020 . 1 . . . . . 166 GLU H . 27774 1 727 . 1 . 1 166 166 GLU C C 13 171.548 0.3 . 1 . . . . . 166 GLU C . 27774 1 728 . 1 . 1 166 166 GLU CA C 13 54.407 0.3 . 1 . . . . . 166 GLU CA . 27774 1 729 . 1 . 1 166 166 GLU CB C 13 33.131 0.3 . 1 . . . . . 166 GLU CB . 27774 1 730 . 1 . 1 166 166 GLU N N 15 123.872 0.3 . 1 . . . . . 166 GLU N . 27774 1 731 . 1 . 1 167 167 ILE H H 1 8.961 0.020 . 1 . . . . . 167 ILE H . 27774 1 732 . 1 . 1 167 167 ILE C C 13 172.416 0.3 . 1 . . . . . 167 ILE C . 27774 1 733 . 1 . 1 167 167 ILE CA C 13 61.645 0.3 . 1 . . . . . 167 ILE CA . 27774 1 734 . 1 . 1 167 167 ILE CB C 13 36.557 0.3 . 1 . . . . . 167 ILE CB . 27774 1 735 . 1 . 1 167 167 ILE N N 15 123.322 0.3 . 1 . . . . . 167 ILE N . 27774 1 736 . 1 . 1 168 168 VAL H H 1 9.260 0.020 . 1 . . . . . 168 VAL H . 27774 1 737 . 1 . 1 168 168 VAL C C 13 172.804 0.3 . 1 . . . . . 168 VAL C . 27774 1 738 . 1 . 1 168 168 VAL CA C 13 63.718 0.3 . 1 . . . . . 168 VAL CA . 27774 1 739 . 1 . 1 168 168 VAL CB C 13 32.197 0.3 . 1 . . . . . 168 VAL CB . 27774 1 740 . 1 . 1 168 168 VAL N N 15 129.290 0.3 . 1 . . . . . 168 VAL N . 27774 1 741 . 1 . 1 169 169 MET H H 1 7.303 0.020 . 1 . . . . . 169 MET H . 27774 1 742 . 1 . 1 169 169 MET C C 13 170.137 0.3 . 1 . . . . . 169 MET C . 27774 1 743 . 1 . 1 169 169 MET CA C 13 55.187 0.3 . 1 . . . . . 169 MET CA . 27774 1 744 . 1 . 1 169 169 MET CB C 13 34.908 0.3 . 1 . . . . . 169 MET CB . 27774 1 745 . 1 . 1 169 169 MET N N 15 112.036 0.3 . 1 . . . . . 169 MET N . 27774 1 746 . 1 . 1 170 170 LYS H H 1 8.773 0.020 . 1 . . . . . 170 LYS H . 27774 1 747 . 1 . 1 170 170 LYS C C 13 171.502 0.3 . 1 . . . . . 170 LYS C . 27774 1 748 . 1 . 1 170 170 LYS CA C 13 56.446 0.3 . 1 . . . . . 170 LYS CA . 27774 1 749 . 1 . 1 170 170 LYS CB C 13 31.809 0.3 . 1 . . . . . 170 LYS CB . 27774 1 750 . 1 . 1 170 170 LYS N N 15 124.294 0.3 . 1 . . . . . 170 LYS N . 27774 1 751 . 1 . 1 171 171 ILE H H 1 8.606 0.020 . 1 . . . . . 171 ILE H . 27774 1 752 . 1 . 1 171 171 ILE C C 13 171.316 0.3 . 1 . . . . . 171 ILE C . 27774 1 753 . 1 . 1 171 171 ILE CA C 13 59.480 0.3 . 1 . . . . . 171 ILE CA . 27774 1 754 . 1 . 1 171 171 ILE CB C 13 39.201 0.3 . 1 . . . . . 171 ILE CB . 27774 1 755 . 1 . 1 171 171 ILE N N 15 124.897 0.3 . 1 . . . . . 171 ILE N . 27774 1 756 . 1 . 1 172 172 GLY H H 1 8.593 0.020 . 1 . . . . . 172 GLY H . 27774 1 757 . 1 . 1 172 172 GLY C C 13 171.238 0.3 . 1 . . . . . 172 GLY C . 27774 1 758 . 1 . 1 172 172 GLY CA C 13 45.282 0.3 . 1 . . . . . 172 GLY CA . 27774 1 759 . 1 . 1 172 172 GLY N N 15 113.761 0.3 . 1 . . . . . 172 GLY N . 27774 1 760 . 1 . 1 173 173 LYS H H 1 8.507 0.020 . 1 . . . . . 173 LYS H . 27774 1 761 . 1 . 1 173 173 LYS C C 13 173.129 0.3 . 1 . . . . . 173 LYS C . 27774 1 762 . 1 . 1 173 173 LYS CA C 13 58.425 0.3 . 1 . . . . . 173 LYS CA . 27774 1 763 . 1 . 1 173 173 LYS CB C 13 30.390 0.3 . 1 . . . . . 173 LYS CB . 27774 1 764 . 1 . 1 173 173 LYS N N 15 119.476 0.3 . 1 . . . . . 173 LYS N . 27774 1 765 . 1 . 1 174 174 GLY H H 1 8.477 0.020 . 1 . . . . . 174 GLY H . 27774 1 766 . 1 . 1 174 174 GLY C C 13 170.726 0.3 . 1 . . . . . 174 GLY C . 27774 1 767 . 1 . 1 174 174 GLY CA C 13 45.189 0.3 . 1 . . . . . 174 GLY CA . 27774 1 768 . 1 . 1 174 174 GLY N N 15 104.226 0.3 . 1 . . . . . 174 GLY N . 27774 1 769 . 1 . 1 175 175 ALA H H 1 8.009 0.020 . 1 . . . . . 175 ALA H . 27774 1 770 . 1 . 1 175 175 ALA C C 13 171.277 0.3 . 1 . . . . . 175 ALA C . 27774 1 771 . 1 . 1 175 175 ALA CA C 13 51.983 0.3 . 1 . . . . . 175 ALA CA . 27774 1 772 . 1 . 1 175 175 ALA CB C 13 18.115 0.3 . 1 . . . . . 175 ALA CB . 27774 1 773 . 1 . 1 175 175 ALA N N 15 121.177 0.3 . 1 . . . . . 175 ALA N . 27774 1 774 . 1 . 1 176 176 PHE H H 1 7.497 0.020 . 1 . . . . . 176 PHE H . 27774 1 775 . 1 . 1 176 176 PHE C C 13 170.990 0.3 . 1 . . . . . 176 PHE C . 27774 1 776 . 1 . 1 176 176 PHE CA C 13 54.964 0.3 . 1 . . . . . 176 PHE CA . 27774 1 777 . 1 . 1 176 176 PHE CB C 13 43.366 0.3 . 1 . . . . . 176 PHE CB . 27774 1 778 . 1 . 1 176 176 PHE N N 15 113.050 0.3 . 1 . . . . . 176 PHE N . 27774 1 779 . 1 . 1 177 177 TYR H H 1 9.269 0.020 . 1 . . . . . 177 TYR H . 27774 1 780 . 1 . 1 177 177 TYR C C 13 170.804 0.3 . 1 . . . . . 177 TYR C . 27774 1 781 . 1 . 1 177 177 TYR CA C 13 55.119 0.3 . 1 . . . . . 177 TYR CA . 27774 1 782 . 1 . 1 177 177 TYR CB C 13 42.989 0.3 . 1 . . . . . 177 TYR CB . 27774 1 783 . 1 . 1 177 177 TYR N N 15 119.659 0.3 . 1 . . . . . 177 TYR N . 27774 1 784 . 1 . 1 180 180 PRO C C 13 171.725 0.3 . 1 . . . . . 180 PRO C . 27774 1 785 . 1 . 1 180 180 PRO CA C 13 61.460 0.3 . 1 . . . . . 180 PRO CA . 27774 1 786 . 1 . 1 180 180 PRO CB C 13 32.910 0.3 . 1 . . . . . 180 PRO CB . 27774 1 787 . 1 . 1 181 181 LYS H H 1 8.445 0.020 . 1 . . . . . 181 LYS H . 27774 1 788 . 1 . 1 181 181 LYS C C 13 172.881 0.3 . 1 . . . . . 181 LYS C . 27774 1 789 . 1 . 1 181 181 LYS CA C 13 56.634 0.3 . 1 . . . . . 181 LYS CA . 27774 1 790 . 1 . 1 181 181 LYS CB C 13 32.318 0.3 . 1 . . . . . 181 LYS CB . 27774 1 791 . 1 . 1 181 181 LYS N N 15 114.685 0.3 . 1 . . . . . 181 LYS N . 27774 1 792 . 1 . 1 182 182 VAL H H 1 6.886 0.020 . 1 . . . . . 182 VAL H . 27774 1 793 . 1 . 1 182 182 VAL C C 13 170.990 0.3 . 1 . . . . . 182 VAL C . 27774 1 794 . 1 . 1 182 182 VAL CA C 13 58.119 0.3 . 1 . . . . . 182 VAL CA . 27774 1 795 . 1 . 1 182 182 VAL CB C 13 34.637 0.3 . 1 . . . . . 182 VAL CB . 27774 1 796 . 1 . 1 182 182 VAL N N 15 109.053 0.3 . 1 . . . . . 182 VAL N . 27774 1 797 . 1 . 1 183 183 ASP H H 1 8.396 0.020 . 1 . . . . . 183 ASP H . 27774 1 798 . 1 . 1 183 183 ASP C C 13 171.998 0.3 . 1 . . . . . 183 ASP C . 27774 1 799 . 1 . 1 183 183 ASP CA C 13 54.376 0.3 . 1 . . . . . 183 ASP CA . 27774 1 800 . 1 . 1 183 183 ASP CB C 13 41.778 0.3 . 1 . . . . . 183 ASP CB . 27774 1 801 . 1 . 1 183 183 ASP N N 15 121.251 0.3 . 1 . . . . . 183 ASP N . 27774 1 802 . 1 . 1 184 184 SER H H 1 8.835 0.020 . 1 . . . . . 184 SER H . 27774 1 803 . 1 . 1 184 184 SER C C 13 168.990 0.3 . 1 . . . . . 184 SER C . 27774 1 804 . 1 . 1 184 184 SER CA C 13 58.428 0.3 . 1 . . . . . 184 SER CA . 27774 1 805 . 1 . 1 184 184 SER CB C 13 66.605 0.3 . 1 . . . . . 184 SER CB . 27774 1 806 . 1 . 1 184 184 SER N N 15 113.843 0.3 . 1 . . . . . 184 SER N . 27774 1 807 . 1 . 1 185 185 ALA H H 1 9.515 0.020 . 1 . . . . . 185 ALA H . 27774 1 808 . 1 . 1 185 185 ALA C C 13 170.773 0.3 . 1 . . . . . 185 ALA C . 27774 1 809 . 1 . 1 185 185 ALA CA C 13 50.757 0.3 . 1 . . . . . 185 ALA CA . 27774 1 810 . 1 . 1 185 185 ALA CB C 13 21.432 0.3 . 1 . . . . . 185 ALA CB . 27774 1 811 . 1 . 1 185 185 ALA N N 15 122.078 0.3 . 1 . . . . . 185 ALA N . 27774 1 812 . 1 . 1 186 186 LEU H H 1 8.866 0.020 . 1 . . . . . 186 LEU H . 27774 1 813 . 1 . 1 186 186 LEU C C 13 170.783 0.3 . 1 . . . . . 186 LEU C . 27774 1 814 . 1 . 1 186 186 LEU CA C 13 53.772 0.3 . 1 . . . . . 186 LEU CA . 27774 1 815 . 1 . 1 186 186 LEU CB C 13 43.492 0.3 . 1 . . . . . 186 LEU CB . 27774 1 816 . 1 . 1 186 186 LEU N N 15 122.963 0.3 . 1 . . . . . 186 LEU N . 27774 1 817 . 1 . 1 191 191 PRO C C 13 173.142 0.3 . 1 . . . . . 191 PRO C . 27774 1 818 . 1 . 1 191 191 PRO CA C 13 62.666 0.3 . 1 . . . . . 191 PRO CA . 27774 1 819 . 1 . 1 191 191 PRO CB C 13 31.096 0.3 . 1 . . . . . 191 PRO CB . 27774 1 820 . 1 . 1 192 192 ARG H H 1 8.240 0.020 . 1 . . . . . 192 ARG H . 27774 1 821 . 1 . 1 192 192 ARG C C 13 173.409 0.3 . 1 . . . . . 192 ARG C . 27774 1 822 . 1 . 1 192 192 ARG CA C 13 55.242 0.3 . 1 . . . . . 192 ARG CA . 27774 1 823 . 1 . 1 192 192 ARG CB C 13 30.773 0.3 . 1 . . . . . 192 ARG CB . 27774 1 824 . 1 . 1 192 192 ARG N N 15 122.513 0.3 . 1 . . . . . 192 ARG N . 27774 1 825 . 1 . 1 193 193 LYS H H 1 8.836 0.020 . 1 . . . . . 193 LYS H . 27774 1 826 . 1 . 1 193 193 LYS C C 13 173.517 0.3 . 1 . . . . . 193 LYS C . 27774 1 827 . 1 . 1 193 193 LYS CA C 13 58.196 0.3 . 1 . . . . . 193 LYS CA . 27774 1 828 . 1 . 1 193 193 LYS CB C 13 31.063 0.3 . 1 . . . . . 193 LYS CB . 27774 1 829 . 1 . 1 193 193 LYS N N 15 124.029 0.3 . 1 . . . . . 193 LYS N . 27774 1 830 . 1 . 1 194 194 ASP H H 1 8.611 0.020 . 1 . . . . . 194 ASP H . 27774 1 831 . 1 . 1 194 194 ASP C C 13 171.192 0.3 . 1 . . . . . 194 ASP C . 27774 1 832 . 1 . 1 194 194 ASP CA C 13 51.623 0.3 . 1 . . . . . 194 ASP CA . 27774 1 833 . 1 . 1 194 194 ASP CB C 13 38.252 0.3 . 1 . . . . . 194 ASP CB . 27774 1 834 . 1 . 1 194 194 ASP N N 15 118.921 0.3 . 1 . . . . . 194 ASP N . 27774 1 835 . 1 . 1 195 195 LYS H H 1 7.115 0.020 . 1 . . . . . 195 LYS H . 27774 1 836 . 1 . 1 195 195 LYS C C 13 172.029 0.3 . 1 . . . . . 195 LYS C . 27774 1 837 . 1 . 1 195 195 LYS CA C 13 56.789 0.3 . 1 . . . . . 195 LYS CA . 27774 1 838 . 1 . 1 195 195 LYS CB C 13 32.488 0.3 . 1 . . . . . 195 LYS CB . 27774 1 839 . 1 . 1 195 195 LYS N N 15 117.462 0.3 . 1 . . . . . 195 LYS N . 27774 1 840 . 1 . 1 196 196 ILE H H 1 8.193 0.020 . 1 . . . . . 196 ILE H . 27774 1 841 . 1 . 1 196 196 ILE C C 13 170.788 0.3 . 1 . . . . . 196 ILE C . 27774 1 842 . 1 . 1 196 196 ILE CA C 13 59.742 0.3 . 1 . . . . . 196 ILE CA . 27774 1 843 . 1 . 1 196 196 ILE CB C 13 37.370 0.3 . 1 . . . . . 196 ILE CB . 27774 1 844 . 1 . 1 196 196 ILE N N 15 123.557 0.3 . 1 . . . . . 196 ILE N . 27774 1 845 . 1 . 1 197 197 VAL H H 1 8.397 0.020 . 1 . . . . . 197 VAL H . 27774 1 846 . 1 . 1 197 197 VAL C C 13 172.091 0.3 . 1 . . . . . 197 VAL C . 27774 1 847 . 1 . 1 197 197 VAL CA C 13 62.243 0.3 . 1 . . . . . 197 VAL CA . 27774 1 848 . 1 . 1 197 197 VAL CB C 13 30.643 0.3 . 1 . . . . . 197 VAL CB . 27774 1 849 . 1 . 1 197 197 VAL N N 15 127.692 0.3 . 1 . . . . . 197 VAL N . 27774 1 850 . 1 . 1 198 198 LEU H H 1 8.063 0.020 . 1 . . . . . 198 LEU H . 27774 1 851 . 1 . 1 198 198 LEU C C 13 173.052 0.3 . 1 . . . . . 198 LEU C . 27774 1 852 . 1 . 1 198 198 LEU CA C 13 52.482 0.3 . 1 . . . . . 198 LEU CA . 27774 1 853 . 1 . 1 198 198 LEU CB C 13 44.259 0.3 . 1 . . . . . 198 LEU CB . 27774 1 854 . 1 . 1 198 198 LEU N N 15 127.769 0.3 . 1 . . . . . 198 LEU N . 27774 1 855 . 1 . 1 199 199 ASN H H 1 9.834 0.020 . 1 . . . . . 199 ASN H . 27774 1 856 . 1 . 1 199 199 ASN C C 13 172.339 0.3 . 1 . . . . . 199 ASN C . 27774 1 857 . 1 . 1 199 199 ASN CA C 13 53.886 0.3 . 1 . . . . . 199 ASN CA . 27774 1 858 . 1 . 1 199 199 ASN CB C 13 37.506 0.3 . 1 . . . . . 199 ASN CB . 27774 1 859 . 1 . 1 199 199 ASN N N 15 122.629 0.3 . 1 . . . . . 199 ASN N . 27774 1 860 . 1 . 1 200 200 GLU H H 1 8.749 0.020 . 1 . . . . . 200 GLU H . 27774 1 861 . 1 . 1 200 200 GLU C C 13 174.685 0.3 . 1 . . . . . 200 GLU C . 27774 1 862 . 1 . 1 200 200 GLU CA C 13 59.323 0.3 . 1 . . . . . 200 GLU CA . 27774 1 863 . 1 . 1 200 200 GLU CB C 13 29.253 0.3 . 1 . . . . . 200 GLU CB . 27774 1 864 . 1 . 1 200 200 GLU N N 15 128.333 0.3 . 1 . . . . . 200 GLU N . 27774 1 865 . 1 . 1 201 201 ASN H H 1 8.085 0.020 . 1 . . . . . 201 ASN H . 27774 1 866 . 1 . 1 201 201 ASN C C 13 174.029 0.3 . 1 . . . . . 201 ASN C . 27774 1 867 . 1 . 1 201 201 ASN CA C 13 55.706 0.3 . 1 . . . . . 201 ASN CA . 27774 1 868 . 1 . 1 201 201 ASN CB C 13 36.963 0.3 . 1 . . . . . 201 ASN CB . 27774 1 869 . 1 . 1 201 201 ASN N N 15 118.149 0.3 . 1 . . . . . 201 ASN N . 27774 1 870 . 1 . 1 202 202 LEU H H 1 8.215 0.020 . 1 . . . . . 202 LEU H . 27774 1 871 . 1 . 1 202 202 LEU C C 13 173.176 0.3 . 1 . . . . . 202 LEU C . 27774 1 872 . 1 . 1 202 202 LEU CA C 13 57.278 0.3 . 1 . . . . . 202 LEU CA . 27774 1 873 . 1 . 1 202 202 LEU CB C 13 40.225 0.3 . 1 . . . . . 202 LEU CB . 27774 1 874 . 1 . 1 202 202 LEU N N 15 120.984 0.3 . 1 . . . . . 202 LEU N . 27774 1 875 . 1 . 1 203 203 VAL H H 1 7.746 0.020 . 1 . . . . . 203 VAL H . 27774 1 876 . 1 . 1 203 203 VAL C C 13 174.250 0.3 . 1 . . . . . 203 VAL C . 27774 1 877 . 1 . 1 203 203 VAL CA C 13 67.337 0.3 . 1 . . . . . 203 VAL CA . 27774 1 878 . 1 . 1 203 203 VAL CB C 13 30.724 0.3 . 1 . . . . . 203 VAL CB . 27774 1 879 . 1 . 1 203 203 VAL N N 15 116.708 0.3 . 1 . . . . . 203 VAL N . 27774 1 880 . 1 . 1 204 204 LYS H H 1 8.146 0.020 . 1 . . . . . 204 LYS H . 27774 1 881 . 1 . 1 204 204 LYS C C 13 174.990 0.3 . 1 . . . . . 204 LYS C . 27774 1 882 . 1 . 1 204 204 LYS CA C 13 59.885 0.3 . 1 . . . . . 204 LYS CA . 27774 1 883 . 1 . 1 204 204 LYS CB C 13 31.640 0.3 . 1 . . . . . 204 LYS CB . 27774 1 884 . 1 . 1 204 204 LYS N N 15 117.977 0.3 . 1 . . . . . 204 LYS N . 27774 1 885 . 1 . 1 205 205 ALA H H 1 7.908 0.020 . 1 . . . . . 205 ALA H . 27774 1 886 . 1 . 1 205 205 ALA C C 13 176.030 0.3 . 1 . . . . . 205 ALA C . 27774 1 887 . 1 . 1 205 205 ALA CA C 13 54.747 0.3 . 1 . . . . . 205 ALA CA . 27774 1 888 . 1 . 1 205 205 ALA CB C 13 16.822 0.3 . 1 . . . . . 205 ALA CB . 27774 1 889 . 1 . 1 205 205 ALA N N 15 120.648 0.3 . 1 . . . . . 205 ALA N . 27774 1 890 . 1 . 1 206 206 LEU H H 1 8.248 0.020 . 1 . . . . . 206 LEU H . 27774 1 891 . 1 . 1 206 206 LEU C C 13 175.439 0.3 . 1 . . . . . 206 LEU C . 27774 1 892 . 1 . 1 206 206 LEU CA C 13 57.686 0.3 . 1 . . . . . 206 LEU CA . 27774 1 893 . 1 . 1 206 206 LEU CB C 13 40.562 0.3 . 1 . . . . . 206 LEU CB . 27774 1 894 . 1 . 1 206 206 LEU N N 15 113.944 0.3 . 1 . . . . . 206 LEU N . 27774 1 895 . 1 . 1 207 207 PHE H H 1 8.248 0.020 . 1 . . . . . 207 PHE H . 27774 1 896 . 1 . 1 207 207 PHE C C 13 173.424 0.3 . 1 . . . . . 207 PHE C . 27774 1 897 . 1 . 1 207 207 PHE CA C 13 61.491 0.3 . 1 . . . . . 207 PHE CA . 27774 1 898 . 1 . 1 207 207 PHE CB C 13 36.896 0.3 . 1 . . . . . 207 PHE CB . 27774 1 899 . 1 . 1 207 207 PHE N N 15 112.388 0.3 . 1 . . . . . 207 PHE N . 27774 1 900 . 1 . 1 208 208 GLN H H 1 7.513 0.020 . 1 . . . . . 208 GLN H . 27774 1 901 . 1 . 1 208 208 GLN C C 13 172.292 0.3 . 1 . . . . . 208 GLN C . 27774 1 902 . 1 . 1 208 208 GLN CA C 13 57.655 0.3 . 1 . . . . . 208 GLN CA . 27774 1 903 . 1 . 1 208 208 GLN CB C 13 27.618 0.3 . 1 . . . . . 208 GLN CB . 27774 1 904 . 1 . 1 208 208 GLN N N 15 120.183 0.3 . 1 . . . . . 208 GLN N . 27774 1 905 . 1 . 1 209 209 HIS H H 1 7.589 0.020 . 1 . . . . . 209 HIS H . 27774 1 906 . 1 . 1 209 209 HIS C C 13 172.788 0.3 . 1 . . . . . 209 HIS C . 27774 1 907 . 1 . 1 209 209 HIS CA C 13 53.961 0.3 . 1 . . . . . 209 HIS CA . 27774 1 908 . 1 . 1 209 209 HIS CB C 13 30.412 0.3 . 1 . . . . . 209 HIS CB . 27774 1 909 . 1 . 1 209 209 HIS N N 15 119.219 0.3 . 1 . . . . . 209 HIS N . 27774 1 910 . 1 . 1 210 210 ARG H H 1 7.172 0.020 . 1 . . . . . 210 ARG H . 27774 1 911 . 1 . 1 210 210 ARG C C 13 171.936 0.3 . 1 . . . . . 210 ARG C . 27774 1 912 . 1 . 1 210 210 ARG CA C 13 58.954 0.3 . 1 . . . . . 210 ARG CA . 27774 1 913 . 1 . 1 210 210 ARG CB C 13 30.270 0.3 . 1 . . . . . 210 ARG CB . 27774 1 914 . 1 . 1 210 210 ARG N N 15 115.870 0.3 . 1 . . . . . 210 ARG N . 27774 1 915 . 1 . 1 211 211 ARG H H 1 8.484 0.020 . 1 . . . . . 211 ARG H . 27774 1 916 . 1 . 1 211 211 ARG C C 13 173.145 0.3 . 1 . . . . . 211 ARG C . 27774 1 917 . 1 . 1 211 211 ARG CA C 13 55.830 0.3 . 1 . . . . . 211 ARG CA . 27774 1 918 . 1 . 1 211 211 ARG CB C 13 28.961 0.3 . 1 . . . . . 211 ARG CB . 27774 1 919 . 1 . 1 211 211 ARG N N 15 114.685 0.3 . 1 . . . . . 211 ARG N . 27774 1 920 . 1 . 1 212 212 LYS H H 1 7.819 0.020 . 1 . . . . . 212 LYS H . 27774 1 921 . 1 . 1 212 212 LYS C C 13 173.245 0.3 . 1 . . . . . 212 LYS C . 27774 1 922 . 1 . 1 212 212 LYS CA C 13 55.768 0.3 . 1 . . . . . 212 LYS CA . 27774 1 923 . 1 . 1 212 212 LYS CB C 13 33.753 0.3 . 1 . . . . . 212 LYS CB . 27774 1 924 . 1 . 1 212 212 LYS N N 15 118.888 0.3 . 1 . . . . . 212 LYS N . 27774 1 925 . 1 . 1 213 213 THR H H 1 8.144 0.020 . 1 . . . . . 213 THR H . 27774 1 926 . 1 . 1 213 213 THR C C 13 171.734 0.3 . 1 . . . . . 213 THR C . 27774 1 927 . 1 . 1 213 213 THR CA C 13 61.274 0.3 . 1 . . . . . 213 THR CA . 27774 1 928 . 1 . 1 213 213 THR CB C 13 69.787 0.3 . 1 . . . . . 213 THR CB . 27774 1 929 . 1 . 1 213 213 THR N N 15 109.124 0.3 . 1 . . . . . 213 THR N . 27774 1 930 . 1 . 1 214 214 VAL H H 1 8.189 0.020 . 1 . . . . . 214 VAL H . 27774 1 931 . 1 . 1 214 214 VAL C C 13 170.691 0.3 . 1 . . . . . 214 VAL C . 27774 1 932 . 1 . 1 214 214 VAL CA C 13 68.605 0.3 . 1 . . . . . 214 VAL CA . 27774 1 933 . 1 . 1 214 214 VAL CB C 13 29.727 0.3 . 1 . . . . . 214 VAL CB . 27774 1 934 . 1 . 1 214 214 VAL N N 15 119.025 0.3 . 1 . . . . . 214 VAL N . 27774 1 935 . 1 . 1 215 215 PRO C C 13 174.971 0.3 . 1 . . . . . 215 PRO C . 27774 1 936 . 1 . 1 215 215 PRO CA C 13 65.636 0.3 . 1 . . . . . 215 PRO CA . 27774 1 937 . 1 . 1 215 215 PRO CB C 13 30.046 0.3 . 1 . . . . . 215 PRO CB . 27774 1 938 . 1 . 1 216 216 ARG H H 1 6.824 0.020 . 1 . . . . . 216 ARG H . 27774 1 939 . 1 . 1 216 216 ARG C C 13 174.060 0.3 . 1 . . . . . 216 ARG C . 27774 1 940 . 1 . 1 216 216 ARG CA C 13 58.026 0.3 . 1 . . . . . 216 ARG CA . 27774 1 941 . 1 . 1 216 216 ARG CB C 13 29.232 0.3 . 1 . . . . . 216 ARG CB . 27774 1 942 . 1 . 1 216 216 ARG N N 15 116.626 0.3 . 1 . . . . . 216 ARG N . 27774 1 943 . 1 . 1 217 217 ALA H H 1 8.800 0.020 . 1 . . . . . 217 ALA H . 27774 1 944 . 1 . 1 217 217 ALA C C 13 176.726 0.3 . 1 . . . . . 217 ALA C . 27774 1 945 . 1 . 1 217 217 ALA CA C 13 54.453 0.3 . 1 . . . . . 217 ALA CA . 27774 1 946 . 1 . 1 217 217 ALA CB C 13 18.856 0.3 . 1 . . . . . 217 ALA CB . 27774 1 947 . 1 . 1 217 217 ALA N N 15 120.442 0.3 . 1 . . . . . 217 ALA N . 27774 1 948 . 1 . 1 218 218 LEU H H 1 8.102 0.020 . 1 . . . . . 218 LEU H . 27774 1 949 . 1 . 1 218 218 LEU C C 13 174.680 0.3 . 1 . . . . . 218 LEU C . 27774 1 950 . 1 . 1 218 218 LEU CA C 13 57.160 0.3 . 1 . . . . . 218 LEU CA . 27774 1 951 . 1 . 1 218 218 LEU CB C 13 41.304 0.3 . 1 . . . . . 218 LEU CB . 27774 1 952 . 1 . 1 218 218 LEU N N 15 115.750 0.3 . 1 . . . . . 218 LEU N . 27774 1 953 . 1 . 1 219 219 LYS H H 1 8.008 0.020 . 1 . . . . . 219 LYS H . 27774 1 954 . 1 . 1 219 219 LYS C C 13 175.111 0.3 . 1 . . . . . 219 LYS C . 27774 1 955 . 1 . 1 219 219 LYS CA C 13 59.915 0.3 . 1 . . . . . 219 LYS CA . 27774 1 956 . 1 . 1 219 219 LYS CB C 13 31.199 0.3 . 1 . . . . . 219 LYS CB . 27774 1 957 . 1 . 1 219 219 LYS N N 15 117.891 0.3 . 1 . . . . . 219 LYS N . 27774 1 958 . 1 . 1 220 220 ASP H H 1 7.963 0.020 . 1 . . . . . 220 ASP H . 27774 1 959 . 1 . 1 220 220 ASP C C 13 173.858 0.3 . 1 . . . . . 220 ASP C . 27774 1 960 . 1 . 1 220 220 ASP CA C 13 55.397 0.3 . 1 . . . . . 220 ASP CA . 27774 1 961 . 1 . 1 220 220 ASP CB C 13 39.066 0.3 . 1 . . . . . 220 ASP CB . 27774 1 962 . 1 . 1 220 220 ASP N N 15 116.010 0.3 . 1 . . . . . 220 ASP N . 27774 1 963 . 1 . 1 221 221 SER H H 1 7.604 0.020 . 1 . . . . . 221 SER H . 27774 1 964 . 1 . 1 221 221 SER C C 13 172.587 0.3 . 1 . . . . . 221 SER C . 27774 1 965 . 1 . 1 221 221 SER CA C 13 58.583 0.3 . 1 . . . . . 221 SER CA . 27774 1 966 . 1 . 1 221 221 SER CB C 13 64.287 0.3 . 1 . . . . . 221 SER CB . 27774 1 967 . 1 . 1 221 221 SER N N 15 113.625 0.3 . 1 . . . . . 221 SER N . 27774 1 968 . 1 . 1 222 222 ILE H H 1 7.458 0.020 . 1 . . . . . 222 ILE H . 27774 1 969 . 1 . 1 222 222 ILE C C 13 173.005 0.3 . 1 . . . . . 222 ILE C . 27774 1 970 . 1 . 1 222 222 ILE CA C 13 63.201 0.3 . 1 . . . . . 222 ILE CA . 27774 1 971 . 1 . 1 222 222 ILE CB C 13 36.489 0.3 . 1 . . . . . 222 ILE CB . 27774 1 972 . 1 . 1 222 222 ILE N N 15 120.823 0.3 . 1 . . . . . 222 ILE N . 27774 1 973 . 1 . 1 223 223 HIS C C 13 174.538 0.3 . 1 . . . . . 223 HIS C . 27774 1 974 . 1 . 1 223 223 HIS CA C 13 57.872 0.3 . 1 . . . . . 223 HIS CA . 27774 1 975 . 1 . 1 223 223 HIS CB C 13 28.536 0.3 . 1 . . . . . 223 HIS CB . 27774 1 976 . 1 . 1 224 224 MET H H 1 7.855 0.020 . 1 . . . . . 224 MET H . 27774 1 977 . 1 . 1 224 224 MET C C 13 173.455 0.3 . 1 . . . . . 224 MET C . 27774 1 978 . 1 . 1 224 224 MET CA C 13 56.696 0.3 . 1 . . . . . 224 MET CA . 27774 1 979 . 1 . 1 224 224 MET CB C 13 31.746 0.3 . 1 . . . . . 224 MET CB . 27774 1 980 . 1 . 1 224 224 MET N N 15 119.999 0.3 . 1 . . . . . 224 MET N . 27774 1 981 . 1 . 1 225 225 LEU H H 1 7.766 0.020 . 1 . . . . . 225 LEU H . 27774 1 982 . 1 . 1 225 225 LEU C C 13 173.670 0.3 . 1 . . . . . 225 LEU C . 27774 1 983 . 1 . 1 225 225 LEU CA C 13 54.469 0.3 . 1 . . . . . 225 LEU CA . 27774 1 984 . 1 . 1 225 225 LEU CB C 13 41.000 0.3 . 1 . . . . . 225 LEU CB . 27774 1 985 . 1 . 1 225 225 LEU N N 15 117.657 0.3 . 1 . . . . . 225 LEU N . 27774 1 986 . 1 . 1 226 226 GLY H H 1 7.827 0.020 . 1 . . . . . 226 GLY H . 27774 1 987 . 1 . 1 226 226 GLY C C 13 170.401 0.3 . 1 . . . . . 226 GLY C . 27774 1 988 . 1 . 1 226 226 GLY CA C 13 45.622 0.3 . 1 . . . . . 226 GLY CA . 27774 1 989 . 1 . 1 226 226 GLY N N 15 106.580 0.3 . 1 . . . . . 226 GLY N . 27774 1 990 . 1 . 1 227 227 VAL H H 1 7.129 0.020 . 1 . . . . . 227 VAL H . 27774 1 991 . 1 . 1 227 227 VAL C C 13 171.145 0.3 . 1 . . . . . 227 VAL C . 27774 1 992 . 1 . 1 227 227 VAL CA C 13 59.820 0.3 . 1 . . . . . 227 VAL CA . 27774 1 993 . 1 . 1 227 227 VAL CB C 13 33.270 0.3 . 1 . . . . . 227 VAL CB . 27774 1 994 . 1 . 1 227 227 VAL N N 15 115.627 0.3 . 1 . . . . . 227 VAL N . 27774 1 995 . 1 . 1 228 228 SER H H 1 8.538 0.020 . 1 . . . . . 228 SER H . 27774 1 996 . 1 . 1 228 228 SER C C 13 172.075 0.3 . 1 . . . . . 228 SER C . 27774 1 997 . 1 . 1 228 228 SER CA C 13 57.005 0.3 . 1 . . . . . 228 SER CA . 27774 1 998 . 1 . 1 228 228 SER CB C 13 64.294 0.3 . 1 . . . . . 228 SER CB . 27774 1 999 . 1 . 1 228 228 SER N N 15 118.421 0.3 . 1 . . . . . 228 SER N . 27774 1 1000 . 1 . 1 229 229 LYS H H 1 8.552 0.020 . 1 . . . . . 229 LYS H . 27774 1 1001 . 1 . 1 229 229 LYS C C 13 174.571 0.3 . 1 . . . . . 229 LYS C . 27774 1 1002 . 1 . 1 229 229 LYS CA C 13 58.243 0.3 . 1 . . . . . 229 LYS CA . 27774 1 1003 . 1 . 1 229 229 LYS CB C 13 31.538 0.3 . 1 . . . . . 229 LYS CB . 27774 1 1004 . 1 . 1 229 229 LYS N N 15 122.018 0.3 . 1 . . . . . 229 LYS N . 27774 1 1005 . 1 . 1 230 230 ASP H H 1 8.215 0.020 . 1 . . . . . 230 ASP H . 27774 1 1006 . 1 . 1 230 230 ASP C C 13 174.509 0.3 . 1 . . . . . 230 ASP C . 27774 1 1007 . 1 . 1 230 230 ASP CA C 13 56.267 0.3 . 1 . . . . . 230 ASP CA . 27774 1 1008 . 1 . 1 230 230 ASP CB C 13 40.286 0.3 . 1 . . . . . 230 ASP CB . 27774 1 1009 . 1 . 1 230 230 ASP N N 15 118.364 0.3 . 1 . . . . . 230 ASP N . 27774 1 1010 . 1 . 1 231 231 GLU H H 1 7.910 0.020 . 1 . . . . . 231 GLU H . 27774 1 1011 . 1 . 1 231 231 GLU C C 13 174.618 0.3 . 1 . . . . . 231 GLU C . 27774 1 1012 . 1 . 1 231 231 GLU CA C 13 57.593 0.3 . 1 . . . . . 231 GLU CA . 27774 1 1013 . 1 . 1 231 231 GLU CB C 13 29.061 0.3 . 1 . . . . . 231 GLU CB . 27774 1 1014 . 1 . 1 231 231 GLU N N 15 118.484 0.3 . 1 . . . . . 231 GLU N . 27774 1 1015 . 1 . 1 232 232 ILE H H 1 7.418 0.020 . 1 . . . . . 232 ILE H . 27774 1 1016 . 1 . 1 232 232 ILE C C 13 173.145 0.3 . 1 . . . . . 232 ILE C . 27774 1 1017 . 1 . 1 232 232 ILE CA C 13 60.872 0.3 . 1 . . . . . 232 ILE CA . 27774 1 1018 . 1 . 1 232 232 ILE CB C 13 37.777 0.3 . 1 . . . . . 232 ILE CB . 27774 1 1019 . 1 . 1 232 232 ILE N N 15 113.753 0.3 . 1 . . . . . 232 ILE N . 27774 1 1020 . 1 . 1 233 233 ARG H H 1 7.725 0.020 . 1 . . . . . 233 ARG H . 27774 1 1021 . 1 . 1 233 233 ARG C C 13 174.494 0.3 . 1 . . . . . 233 ARG C . 27774 1 1022 . 1 . 1 233 233 ARG CA C 13 59.155 0.3 . 1 . . . . . 233 ARG CA . 27774 1 1023 . 1 . 1 233 233 ARG CB C 13 28.961 0.3 . 1 . . . . . 233 ARG CB . 27774 1 1024 . 1 . 1 233 233 ARG N N 15 121.811 0.3 . 1 . . . . . 233 ARG N . 27774 1 1025 . 1 . 1 234 234 GLY H H 1 8.208 0.020 . 1 . . . . . 234 GLY H . 27774 1 1026 . 1 . 1 234 234 GLY C C 13 172.091 0.3 . 1 . . . . . 234 GLY C . 27774 1 1027 . 1 . 1 234 234 GLY CA C 13 45.876 0.3 . 1 . . . . . 234 GLY CA . 27774 1 1028 . 1 . 1 234 234 GLY N N 15 105.466 0.3 . 1 . . . . . 234 GLY N . 27774 1 1029 . 1 . 1 235 235 ILE H H 1 7.400 0.020 . 1 . . . . . 235 ILE H . 27774 1 1030 . 1 . 1 235 235 ILE C C 13 176.432 0.3 . 1 . . . . . 235 ILE C . 27774 1 1031 . 1 . 1 235 235 ILE CA C 13 61.336 0.3 . 1 . . . . . 235 ILE CA . 27774 1 1032 . 1 . 1 235 235 ILE CB C 13 38.181 0.3 . 1 . . . . . 235 ILE CB . 27774 1 1033 . 1 . 1 235 235 ILE N N 15 114.860 0.3 . 1 . . . . . 235 ILE N . 27774 1 1034 . 1 . 1 236 236 ILE H H 1 7.952 0.020 . 1 . . . . . 236 ILE H . 27774 1 1035 . 1 . 1 236 236 ILE C C 13 172.354 0.3 . 1 . . . . . 236 ILE C . 27774 1 1036 . 1 . 1 236 236 ILE CA C 13 62.603 0.3 . 1 . . . . . 236 ILE CA . 27774 1 1037 . 1 . 1 236 236 ILE CB C 13 36.608 0.3 . 1 . . . . . 236 ILE CB . 27774 1 1038 . 1 . 1 236 236 ILE N N 15 121.137 0.3 . 1 . . . . . 236 ILE N . 27774 1 1039 . 1 . 1 237 237 ASN H H 1 8.051 0.020 . 1 . . . . . 237 ASN H . 27774 1 1040 . 1 . 1 237 237 ASN C C 13 172.316 0.3 . 1 . . . . . 237 ASN C . 27774 1 1041 . 1 . 1 237 237 ASN CA C 13 54.902 0.3 . 1 . . . . . 237 ASN CA . 27774 1 1042 . 1 . 1 237 237 ASN CB C 13 37.232 0.3 . 1 . . . . . 237 ASN CB . 27774 1 1043 . 1 . 1 237 237 ASN N N 15 116.331 0.3 . 1 . . . . . 237 ASN N . 27774 1 1044 . 1 . 1 238 238 ASN H H 1 7.003 0.020 . 1 . . . . . 238 ASN H . 27774 1 1045 . 1 . 1 238 238 ASN C C 13 169.285 0.3 . 1 . . . . . 238 ASN C . 27774 1 1046 . 1 . 1 238 238 ASN CA C 13 51.963 0.3 . 1 . . . . . 238 ASN CA . 27774 1 1047 . 1 . 1 238 238 ASN CB C 13 38.774 0.3 . 1 . . . . . 238 ASN CB . 27774 1 1048 . 1 . 1 238 238 ASN N N 15 114.188 0.3 . 1 . . . . . 238 ASN N . 27774 1 1049 . 1 . 1 239 239 VAL H H 1 6.824 0.020 . 1 . . . . . 239 VAL H . 27774 1 1050 . 1 . 1 239 239 VAL C C 13 168.943 0.3 . 1 . . . . . 239 VAL C . 27774 1 1051 . 1 . 1 239 239 VAL CA C 13 58.459 0.3 . 1 . . . . . 239 VAL CA . 27774 1 1052 . 1 . 1 239 239 VAL CB C 13 31.809 0.3 . 1 . . . . . 239 VAL CB . 27774 1 1053 . 1 . 1 239 239 VAL N N 15 118.751 0.3 . 1 . . . . . 239 VAL N . 27774 1 1054 . 1 . 1 240 240 PRO C C 13 170.348 0.3 . 1 . . . . . 240 PRO C . 27774 1 1055 . 1 . 1 240 240 PRO CA C 13 62.357 0.3 . 1 . . . . . 240 PRO CA . 27774 1 1056 . 1 . 1 240 240 PRO CB C 13 31.335 0.3 . 1 . . . . . 240 PRO CB . 27774 1 1057 . 1 . 1 241 241 HIS H H 1 7.984 0.020 . 1 . . . . . 241 HIS H . 27774 1 1058 . 1 . 1 241 241 HIS C C 13 172.897 0.3 . 1 . . . . . 241 HIS C . 27774 1 1059 . 1 . 1 241 241 HIS CA C 13 55.861 0.3 . 1 . . . . . 241 HIS CA . 27774 1 1060 . 1 . 1 241 241 HIS CB C 13 25.841 0.3 . 1 . . . . . 241 HIS CB . 27774 1 1061 . 1 . 1 241 241 HIS N N 15 109.228 0.3 . 1 . . . . . 241 HIS N . 27774 1 1062 . 1 . 1 242 242 SER H H 1 7.475 0.020 . 1 . . . . . 242 SER H . 27774 1 1063 . 1 . 1 242 242 SER C C 13 170.370 0.3 . 1 . . . . . 242 SER C . 27774 1 1064 . 1 . 1 242 242 SER CA C 13 60.563 0.3 . 1 . . . . . 242 SER CA . 27774 1 1065 . 1 . 1 242 242 SER CB C 13 62.327 0.3 . 1 . . . . . 242 SER CB . 27774 1 1066 . 1 . 1 242 242 SER N N 15 109.495 0.3 . 1 . . . . . 242 SER N . 27774 1 1067 . 1 . 1 243 243 ASN H H 1 8.319 0.020 . 1 . . . . . 243 ASN H . 27774 1 1068 . 1 . 1 243 243 ASN C C 13 171.827 0.3 . 1 . . . . . 243 ASN C . 27774 1 1069 . 1 . 1 243 243 ASN CA C 13 52.799 0.3 . 1 . . . . . 243 ASN CA . 27774 1 1070 . 1 . 1 243 243 ASN CB C 13 37.438 0.3 . 1 . . . . . 243 ASN CB . 27774 1 1071 . 1 . 1 243 243 ASN N N 15 114.970 0.3 . 1 . . . . . 243 ASN N . 27774 1 1072 . 1 . 1 244 244 LYS H H 1 7.684 0.020 . 1 . . . . . 244 LYS H . 27774 1 1073 . 1 . 1 244 244 LYS C C 13 172.230 0.3 . 1 . . . . . 244 LYS C . 27774 1 1074 . 1 . 1 244 244 LYS CA C 13 56.176 0.3 . 1 . . . . . 244 LYS CA . 27774 1 1075 . 1 . 1 244 244 LYS CB C 13 33.055 0.3 . 1 . . . . . 244 LYS CB . 27774 1 1076 . 1 . 1 244 244 LYS N N 15 119.643 0.3 . 1 . . . . . 244 LYS N . 27774 1 1077 . 1 . 1 245 245 ARG H H 1 7.920 0.020 . 1 . . . . . 245 ARG H . 27774 1 1078 . 1 . 1 245 245 ARG C C 13 174.711 0.3 . 1 . . . . . 245 ARG C . 27774 1 1079 . 1 . 1 245 245 ARG CA C 13 53.881 0.3 . 1 . . . . . 245 ARG CA . 27774 1 1080 . 1 . 1 245 245 ARG CB C 13 30.724 0.3 . 1 . . . . . 245 ARG CB . 27774 1 1081 . 1 . 1 245 245 ARG N N 15 116.413 0.3 . 1 . . . . . 245 ARG N . 27774 1 1082 . 1 . 1 246 246 VAL H H 1 8.106 0.020 . 1 . . . . . 246 VAL H . 27774 1 1083 . 1 . 1 246 246 VAL C C 13 174.055 0.3 . 1 . . . . . 246 VAL C . 27774 1 1084 . 1 . 1 246 246 VAL CA C 13 66.811 0.3 . 1 . . . . . 246 VAL CA . 27774 1 1085 . 1 . 1 246 246 VAL CB C 13 29.648 0.3 . 1 . . . . . 246 VAL CB . 27774 1 1086 . 1 . 1 246 246 VAL N N 15 121.900 0.3 . 1 . . . . . 246 VAL N . 27774 1 1087 . 1 . 1 247 247 PHE H H 1 8.066 0.020 . 1 . . . . . 247 PHE H . 27774 1 1088 . 1 . 1 247 247 PHE C C 13 169.517 0.3 . 1 . . . . . 247 PHE C . 27774 1 1089 . 1 . 1 247 247 PHE CA C 13 57.964 0.3 . 1 . . . . . 247 PHE CA . 27774 1 1090 . 1 . 1 247 247 PHE CB C 13 36.353 0.3 . 1 . . . . . 247 PHE CB . 27774 1 1091 . 1 . 1 247 247 PHE N N 15 110.030 0.3 . 1 . . . . . 247 PHE N . 27774 1 1092 . 1 . 1 248 248 GLN H H 1 7.475 0.020 . 1 . . . . . 248 GLN H . 27774 1 1093 . 1 . 1 248 248 GLN C C 13 172.649 0.3 . 1 . . . . . 248 GLN C . 27774 1 1094 . 1 . 1 248 248 GLN CA C 13 54.500 0.3 . 1 . . . . . 248 GLN CA . 27774 1 1095 . 1 . 1 248 248 GLN CB C 13 28.511 0.3 . 1 . . . . . 248 GLN CB . 27774 1 1096 . 1 . 1 248 248 GLN N N 15 116.098 0.3 . 1 . . . . . 248 GLN N . 27774 1 1097 . 1 . 1 249 249 LEU H H 1 7.693 0.020 . 1 . . . . . 249 LEU H . 27774 1 1098 . 1 . 1 249 249 LEU C C 13 172.925 0.3 . 1 . . . . . 249 LEU C . 27774 1 1099 . 1 . 1 249 249 LEU CA C 13 54.667 0.3 . 1 . . . . . 249 LEU CA . 27774 1 1100 . 1 . 1 249 249 LEU CB C 13 42.034 0.3 . 1 . . . . . 249 LEU CB . 27774 1 1101 . 1 . 1 249 249 LEU N N 15 119.932 0.3 . 1 . . . . . 249 LEU N . 27774 1 1102 . 1 . 1 250 250 TYR H H 1 9.216 0.020 . 1 . . . . . 250 TYR H . 27774 1 1103 . 1 . 1 250 250 TYR C C 13 172.819 0.3 . 1 . . . . . 250 TYR C . 27774 1 1104 . 1 . 1 250 250 TYR CA C 13 56.541 0.3 . 1 . . . . . 250 TYR CA . 27774 1 1105 . 1 . 1 250 250 TYR CB C 13 36.785 0.3 . 1 . . . . . 250 TYR CB . 27774 1 1106 . 1 . 1 250 250 TYR N N 15 121.546 0.3 . 1 . . . . . 250 TYR N . 27774 1 1107 . 1 . 1 251 251 PRO C C 13 174.066 0.3 . 1 . . . . . 251 PRO C . 27774 1 1108 . 1 . 1 251 251 PRO CA C 13 66.718 0.3 . 1 . . . . . 251 PRO CA . 27774 1 1109 . 1 . 1 251 251 PRO CB C 13 30.996 0.3 . 1 . . . . . 251 PRO CB . 27774 1 1110 . 1 . 1 252 252 GLU H H 1 10.622 0.020 . 1 . . . . . 252 GLU H . 27774 1 1111 . 1 . 1 252 252 GLU C C 13 174.866 0.3 . 1 . . . . . 252 GLU C . 27774 1 1112 . 1 . 1 252 252 GLU CA C 13 60.006 0.3 . 1 . . . . . 252 GLU CA . 27774 1 1113 . 1 . 1 252 252 GLU CB C 13 28.012 0.3 . 1 . . . . . 252 GLU CB . 27774 1 1114 . 1 . 1 252 252 GLU N N 15 116.370 0.3 . 1 . . . . . 252 GLU N . 27774 1 1115 . 1 . 1 253 253 GLU H H 1 7.255 0.020 . 1 . . . . . 253 GLU H . 27774 1 1116 . 1 . 1 253 253 GLU C C 13 176.013 0.3 . 1 . . . . . 253 GLU C . 27774 1 1117 . 1 . 1 253 253 GLU CA C 13 57.500 0.3 . 1 . . . . . 253 GLU CA . 27774 1 1118 . 1 . 1 253 253 GLU CB C 13 29.796 0.3 . 1 . . . . . 253 GLU CB . 27774 1 1119 . 1 . 1 253 253 GLU N N 15 117.188 0.3 . 1 . . . . . 253 GLU N . 27774 1 1120 . 1 . 1 254 254 VAL H H 1 7.735 0.020 . 1 . . . . . 254 VAL H . 27774 1 1121 . 1 . 1 254 254 VAL C C 13 174.491 0.3 . 1 . . . . . 254 VAL C . 27774 1 1122 . 1 . 1 254 254 VAL CA C 13 66.440 0.3 . 1 . . . . . 254 VAL CA . 27774 1 1123 . 1 . 1 254 254 VAL CB C 13 29.529 0.3 . 1 . . . . . 254 VAL CB . 27774 1 1124 . 1 . 1 254 254 VAL N N 15 119.184 0.3 . 1 . . . . . 254 VAL N . 27774 1 1125 . 1 . 1 255 255 LYS H H 1 8.056 0.020 . 1 . . . . . 255 LYS H . 27774 1 1126 . 1 . 1 255 255 LYS C C 13 174.292 0.3 . 1 . . . . . 255 LYS C . 27774 1 1127 . 1 . 1 255 255 LYS CA C 13 57.779 0.3 . 1 . . . . . 255 LYS CA . 27774 1 1128 . 1 . 1 255 255 LYS CB C 13 29.951 0.3 . 1 . . . . . 255 LYS CB . 27774 1 1129 . 1 . 1 255 255 LYS N N 15 121.525 0.3 . 1 . . . . . 255 LYS N . 27774 1 1130 . 1 . 1 256 256 ASP H H 1 7.701 0.020 . 1 . . . . . 256 ASP H . 27774 1 1131 . 1 . 1 256 256 ASP C C 13 176.416 0.3 . 1 . . . . . 256 ASP C . 27774 1 1132 . 1 . 1 256 256 ASP CA C 13 57.222 0.3 . 1 . . . . . 256 ASP CA . 27774 1 1133 . 1 . 1 256 256 ASP CB C 13 40.072 0.3 . 1 . . . . . 256 ASP CB . 27774 1 1134 . 1 . 1 256 256 ASP N N 15 117.761 0.3 . 1 . . . . . 256 ASP N . 27774 1 1135 . 1 . 1 257 257 ILE H H 1 7.698 0.020 . 1 . . . . . 257 ILE H . 27774 1 1136 . 1 . 1 257 257 ILE C C 13 173.162 0.3 . 1 . . . . . 257 ILE C . 27774 1 1137 . 1 . 1 257 257 ILE CA C 13 66.103 0.3 . 1 . . . . . 257 ILE CA . 27774 1 1138 . 1 . 1 257 257 ILE CB C 13 37.232 0.3 . 1 . . . . . 257 ILE CB . 27774 1 1139 . 1 . 1 257 257 ILE N N 15 121.498 0.3 . 1 . . . . . 257 ILE N . 27774 1 1140 . 1 . 1 258 258 GLU H H 1 8.872 0.020 . 1 . . . . . 258 GLU H . 27774 1 1141 . 1 . 1 258 258 GLU C C 13 174.902 0.3 . 1 . . . . . 258 GLU C . 27774 1 1142 . 1 . 1 258 258 GLU CA C 13 60.220 0.3 . 1 . . . . . 258 GLU CA . 27774 1 1143 . 1 . 1 258 258 GLU CB C 13 29.259 0.3 . 1 . . . . . 258 GLU CB . 27774 1 1144 . 1 . 1 258 258 GLU N N 15 121.803 0.3 . 1 . . . . . 258 GLU N . 27774 1 1145 . 1 . 1 259 259 GLU H H 1 8.936 0.020 . 1 . . . . . 259 GLU H . 27774 1 1146 . 1 . 1 259 259 GLU C C 13 175.781 0.3 . 1 . . . . . 259 GLU C . 27774 1 1147 . 1 . 1 259 259 GLU CA C 13 58.898 0.3 . 1 . . . . . 259 GLU CA . 27774 1 1148 . 1 . 1 259 259 GLU CB C 13 28.893 0.3 . 1 . . . . . 259 GLU CB . 27774 1 1149 . 1 . 1 259 259 GLU N N 15 116.741 0.3 . 1 . . . . . 259 GLU N . 27774 1 1150 . 1 . 1 260 260 TYR H H 1 7.881 0.020 . 1 . . . . . 260 TYR H . 27774 1 1151 . 1 . 1 260 260 TYR C C 13 173.874 0.3 . 1 . . . . . 260 TYR C . 27774 1 1152 . 1 . 1 260 260 TYR CA C 13 61.181 0.3 . 1 . . . . . 260 TYR CA . 27774 1 1153 . 1 . 1 260 260 TYR CB C 13 37.888 0.3 . 1 . . . . . 260 TYR CB . 27774 1 1154 . 1 . 1 260 260 TYR N N 15 121.218 0.3 . 1 . . . . . 260 TYR N . 27774 1 1155 . 1 . 1 261 261 LEU H H 1 8.568 0.020 . 1 . . . . . 261 LEU H . 27774 1 1156 . 1 . 1 261 261 LEU C C 13 176.440 0.3 . 1 . . . . . 261 LEU C . 27774 1 1157 . 1 . 1 261 261 LEU CA C 13 57.291 0.3 . 1 . . . . . 261 LEU CA . 27774 1 1158 . 1 . 1 261 261 LEU CB C 13 40.250 0.3 . 1 . . . . . 261 LEU CB . 27774 1 1159 . 1 . 1 261 261 LEU N N 15 118.721 0.3 . 1 . . . . . 261 LEU N . 27774 1 1160 . 1 . 1 262 262 LYS H H 1 8.753 0.020 . 1 . . . . . 262 LYS H . 27774 1 1161 . 1 . 1 262 262 LYS C C 13 177.300 0.3 . 1 . . . . . 262 LYS C . 27774 1 1162 . 1 . 1 262 262 LYS CA C 13 58.985 0.3 . 1 . . . . . 262 LYS CA . 27774 1 1163 . 1 . 1 262 262 LYS CB C 13 31.683 0.3 . 1 . . . . . 262 LYS CB . 27774 1 1164 . 1 . 1 262 262 LYS N N 15 121.377 0.3 . 1 . . . . . 262 LYS N . 27774 1 1165 . 1 . 1 263 263 LYS H H 1 8.115 0.020 . 1 . . . . . 263 LYS H . 27774 1 1166 . 1 . 1 263 263 LYS C C 13 174.294 0.3 . 1 . . . . . 263 LYS C . 27774 1 1167 . 1 . 1 263 263 LYS CA C 13 58.428 0.3 . 1 . . . . . 263 LYS CA . 27774 1 1168 . 1 . 1 263 263 LYS CB C 13 30.901 0.3 . 1 . . . . . 263 LYS CB . 27774 1 1169 . 1 . 1 263 263 LYS N N 15 121.663 0.3 . 1 . . . . . 263 LYS N . 27774 1 1170 . 1 . 1 264 264 HIS H H 1 7.089 0.020 . 1 . . . . . 264 HIS H . 27774 1 1171 . 1 . 1 264 264 HIS C C 13 171.067 0.3 . 1 . . . . . 264 HIS C . 27774 1 1172 . 1 . 1 264 264 HIS CA C 13 56.325 0.3 . 1 . . . . . 264 HIS CA . 27774 1 1173 . 1 . 1 264 264 HIS CB C 13 29.571 0.3 . 1 . . . . . 264 HIS CB . 27774 1 1174 . 1 . 1 264 264 HIS N N 15 113.185 0.3 . 1 . . . . . 264 HIS N . 27774 1 1175 . 1 . 1 265 265 GLY H H 1 7.790 0.020 . 1 . . . . . 265 GLY H . 27774 1 1176 . 1 . 1 265 265 GLY C C 13 170.835 0.3 . 1 . . . . . 265 GLY C . 27774 1 1177 . 1 . 1 265 265 GLY CA C 13 45.870 0.3 . 1 . . . . . 265 GLY CA . 27774 1 1178 . 1 . 1 265 265 GLY N N 15 107.414 0.3 . 1 . . . . . 265 GLY N . 27774 1 1179 . 1 . 1 266 266 ILE H H 1 8.006 0.020 . 1 . . . . . 266 ILE H . 27774 1 1180 . 1 . 1 266 266 ILE C C 13 171.800 0.3 . 1 . . . . . 266 ILE C . 27774 1 1181 . 1 . 1 266 266 ILE CA C 13 60.717 0.3 . 1 . . . . . 266 ILE CA . 27774 1 1182 . 1 . 1 266 266 ILE CB C 13 36.535 0.3 . 1 . . . . . 266 ILE CB . 27774 1 1183 . 1 . 1 266 266 ILE N N 15 118.608 0.3 . 1 . . . . . 266 ILE N . 27774 1 1184 . 1 . 1 267 267 ILE H H 1 6.735 0.020 . 1 . . . . . 267 ILE H . 27774 1 1185 . 1 . 1 267 267 ILE C C 13 170.618 0.3 . 1 . . . . . 267 ILE C . 27774 1 1186 . 1 . 1 267 267 ILE CA C 13 58.769 0.3 . 1 . . . . . 267 ILE CA . 27774 1 1187 . 1 . 1 267 267 ILE CB C 13 39.676 0.3 . 1 . . . . . 267 ILE CB . 27774 1 1188 . 1 . 1 267 267 ILE N N 15 112.625 0.3 . 1 . . . . . 267 ILE N . 27774 1 1189 . 1 . 1 268 268 SER H H 1 7.905 0.020 . 1 . . . . . 268 SER H . 27774 1 1190 . 1 . 1 268 268 SER C C 13 174.840 0.3 . 1 . . . . . 268 SER C . 27774 1 1191 . 1 . 1 268 268 SER CA C 13 59.517 0.3 . 1 . . . . . 268 SER CA . 27774 1 1192 . 1 . 1 268 268 SER CB C 13 64.565 0.3 . 1 . . . . . 268 SER CB . 27774 1 1193 . 1 . 1 268 268 SER N N 15 122.758 0.3 . 1 . . . . . 268 SER N . 27774 1 stop_ save_