data_52556 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52556 _Entry.Title ; Backbone chemical shifts assignment of SPR1226 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-16 _Entry.Accession_date 2024-07-16 _Entry.Last_release_date 2024-07-17 _Entry.Original_release_date 2024-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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 Benedetta Sala . M. . . 52556 2 Tatyana Sandalova . . . . 52556 3 Tatiana Agback . . . . 52556 4 Dmitri Lesovoy . . . . 52556 5 Peter Agback . . . . 52556 6 Adnane Achour . . . . 52556 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Karolinska Institute' . 52556 2 . 'Swedish University of Agricultural Sciences' . 52556 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52556 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 712 52556 '15N chemical shifts' 225 52556 '1H chemical shifts' 224 52556 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-01-06 . original BMRB . 52556 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52556 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.3390/cryst14121094 _Citation.Full_citation . _Citation.Title ; Crystallographic and NMR Study of Streptococcus pneumonia LCP Protein PsrSp Indicate the Importance of Dynamics in Four Long Loops for Ligand Specificity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Crystals _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2024 _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 Benedetta Sala . M. . . 52556 1 2 Tatyana Sandalova . . . . 52556 1 3 Tatiana Agback . . . . 52556 1 4 Dmitri Lesovoy . . . . 52556 1 5 Peter Agback . . . . 52556 1 6 Adnane Achour . . . . 52556 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52556 _Assembly.ID 1 _Assembly.Name SPR1226 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SPR1226 1 $entity_1 . . yes native no no . . . 52556 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52556 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQVEVFNGQDTRDGVNILIM GTDGRIGQNSVETRTDSIMV LNVGGSDKKMKLVSFMRDNL VYIDGYSQVINGRKQTDNKL NVAYELGEQEGQKGAEMVRQ VLKDNFDLDIKYYALVDFQA FATAIDTLFPDGVTIDAQFS TLNGRPLTEATVGDDLYATE TESPTQTIKVGKQQMNGSTL LNYARFRDDDEADYGRTKRQ QQVLTAILEQIKDPTKLFTG SEALGKVFAMTSTNVPYTFL LTNGLSVLDGAKNGIEKLTI PELGDWVDAYDVYGGLGLLV DQNKYQTKLAQMGLR ; _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 295 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 52556 1 2 . GLN . 52556 1 3 . VAL . 52556 1 4 . GLU . 52556 1 5 . VAL . 52556 1 6 . PHE . 52556 1 7 . ASN . 52556 1 8 . GLY . 52556 1 9 . GLN . 52556 1 10 . ASP . 52556 1 11 . THR . 52556 1 12 . ARG . 52556 1 13 . ASP . 52556 1 14 . GLY . 52556 1 15 . VAL . 52556 1 16 . ASN . 52556 1 17 . ILE . 52556 1 18 . LEU . 52556 1 19 . ILE . 52556 1 20 . MET . 52556 1 21 . GLY . 52556 1 22 . THR . 52556 1 23 . ASP . 52556 1 24 . GLY . 52556 1 25 . ARG . 52556 1 26 . ILE . 52556 1 27 . GLY . 52556 1 28 . GLN . 52556 1 29 . ASN . 52556 1 30 . SER . 52556 1 31 . VAL . 52556 1 32 . GLU . 52556 1 33 . THR . 52556 1 34 . ARG . 52556 1 35 . THR . 52556 1 36 . ASP . 52556 1 37 . SER . 52556 1 38 . ILE . 52556 1 39 . MET . 52556 1 40 . VAL . 52556 1 41 . LEU . 52556 1 42 . ASN . 52556 1 43 . VAL . 52556 1 44 . GLY . 52556 1 45 . GLY . 52556 1 46 . SER . 52556 1 47 . ASP . 52556 1 48 . LYS . 52556 1 49 . LYS . 52556 1 50 . MET . 52556 1 51 . LYS . 52556 1 52 . LEU . 52556 1 53 . VAL . 52556 1 54 . SER . 52556 1 55 . PHE . 52556 1 56 . MET . 52556 1 57 . ARG . 52556 1 58 . ASP . 52556 1 59 . ASN . 52556 1 60 . LEU . 52556 1 61 . VAL . 52556 1 62 . TYR . 52556 1 63 . ILE . 52556 1 64 . ASP . 52556 1 65 . GLY . 52556 1 66 . TYR . 52556 1 67 . SER . 52556 1 68 . GLN . 52556 1 69 . VAL . 52556 1 70 . ILE . 52556 1 71 . ASN . 52556 1 72 . GLY . 52556 1 73 . ARG . 52556 1 74 . LYS . 52556 1 75 . GLN . 52556 1 76 . THR . 52556 1 77 . ASP . 52556 1 78 . ASN . 52556 1 79 . LYS . 52556 1 80 . LEU . 52556 1 81 . ASN . 52556 1 82 . VAL . 52556 1 83 . ALA . 52556 1 84 . TYR . 52556 1 85 . GLU . 52556 1 86 . LEU . 52556 1 87 . GLY . 52556 1 88 . GLU . 52556 1 89 . GLN . 52556 1 90 . GLU . 52556 1 91 . GLY . 52556 1 92 . GLN . 52556 1 93 . LYS . 52556 1 94 . GLY . 52556 1 95 . ALA . 52556 1 96 . GLU . 52556 1 97 . MET . 52556 1 98 . VAL . 52556 1 99 . ARG . 52556 1 100 . GLN . 52556 1 101 . VAL . 52556 1 102 . LEU . 52556 1 103 . LYS . 52556 1 104 . ASP . 52556 1 105 . ASN . 52556 1 106 . PHE . 52556 1 107 . ASP . 52556 1 108 . LEU . 52556 1 109 . ASP . 52556 1 110 . ILE . 52556 1 111 . LYS . 52556 1 112 . TYR . 52556 1 113 . TYR . 52556 1 114 . ALA . 52556 1 115 . LEU . 52556 1 116 . VAL . 52556 1 117 . ASP . 52556 1 118 . PHE . 52556 1 119 . GLN . 52556 1 120 . ALA . 52556 1 121 . PHE . 52556 1 122 . ALA . 52556 1 123 . THR . 52556 1 124 . ALA . 52556 1 125 . ILE . 52556 1 126 . ASP . 52556 1 127 . THR . 52556 1 128 . LEU . 52556 1 129 . PHE . 52556 1 130 . PRO . 52556 1 131 . ASP . 52556 1 132 . GLY . 52556 1 133 . VAL . 52556 1 134 . THR . 52556 1 135 . ILE . 52556 1 136 . ASP . 52556 1 137 . ALA . 52556 1 138 . GLN . 52556 1 139 . PHE . 52556 1 140 . SER . 52556 1 141 . THR . 52556 1 142 . LEU . 52556 1 143 . ASN . 52556 1 144 . GLY . 52556 1 145 . ARG . 52556 1 146 . PRO . 52556 1 147 . LEU . 52556 1 148 . THR . 52556 1 149 . GLU . 52556 1 150 . ALA . 52556 1 151 . THR . 52556 1 152 . VAL . 52556 1 153 . GLY . 52556 1 154 . ASP . 52556 1 155 . ASP . 52556 1 156 . LEU . 52556 1 157 . TYR . 52556 1 158 . ALA . 52556 1 159 . THR . 52556 1 160 . GLU . 52556 1 161 . THR . 52556 1 162 . GLU . 52556 1 163 . SER . 52556 1 164 . PRO . 52556 1 165 . THR . 52556 1 166 . GLN . 52556 1 167 . THR . 52556 1 168 . ILE . 52556 1 169 . LYS . 52556 1 170 . VAL . 52556 1 171 . GLY . 52556 1 172 . LYS . 52556 1 173 . GLN . 52556 1 174 . GLN . 52556 1 175 . MET . 52556 1 176 . ASN . 52556 1 177 . GLY . 52556 1 178 . SER . 52556 1 179 . THR . 52556 1 180 . LEU . 52556 1 181 . LEU . 52556 1 182 . ASN . 52556 1 183 . TYR . 52556 1 184 . ALA . 52556 1 185 . ARG . 52556 1 186 . PHE . 52556 1 187 . ARG . 52556 1 188 . ASP . 52556 1 189 . ASP . 52556 1 190 . ASP . 52556 1 191 . GLU . 52556 1 192 . ALA . 52556 1 193 . ASP . 52556 1 194 . TYR . 52556 1 195 . GLY . 52556 1 196 . ARG . 52556 1 197 . THR . 52556 1 198 . LYS . 52556 1 199 . ARG . 52556 1 200 . GLN . 52556 1 201 . GLN . 52556 1 202 . GLN . 52556 1 203 . VAL . 52556 1 204 . LEU . 52556 1 205 . THR . 52556 1 206 . ALA . 52556 1 207 . ILE . 52556 1 208 . LEU . 52556 1 209 . GLU . 52556 1 210 . GLN . 52556 1 211 . ILE . 52556 1 212 . LYS . 52556 1 213 . ASP . 52556 1 214 . PRO . 52556 1 215 . THR . 52556 1 216 . LYS . 52556 1 217 . LEU . 52556 1 218 . PHE . 52556 1 219 . THR . 52556 1 220 . GLY . 52556 1 221 . SER . 52556 1 222 . GLU . 52556 1 223 . ALA . 52556 1 224 . LEU . 52556 1 225 . GLY . 52556 1 226 . LYS . 52556 1 227 . VAL . 52556 1 228 . PHE . 52556 1 229 . ALA . 52556 1 230 . MET . 52556 1 231 . THR . 52556 1 232 . SER . 52556 1 233 . THR . 52556 1 234 . ASN . 52556 1 235 . VAL . 52556 1 236 . PRO . 52556 1 237 . TYR . 52556 1 238 . THR . 52556 1 239 . PHE . 52556 1 240 . LEU . 52556 1 241 . LEU . 52556 1 242 . THR . 52556 1 243 . ASN . 52556 1 244 . GLY . 52556 1 245 . LEU . 52556 1 246 . SER . 52556 1 247 . VAL . 52556 1 248 . LEU . 52556 1 249 . ASP . 52556 1 250 . GLY . 52556 1 251 . ALA . 52556 1 252 . LYS . 52556 1 253 . ASN . 52556 1 254 . GLY . 52556 1 255 . ILE . 52556 1 256 . GLU . 52556 1 257 . LYS . 52556 1 258 . LEU . 52556 1 259 . THR . 52556 1 260 . ILE . 52556 1 261 . PRO . 52556 1 262 . GLU . 52556 1 263 . LEU . 52556 1 264 . GLY . 52556 1 265 . ASP . 52556 1 266 . TRP . 52556 1 267 . VAL . 52556 1 268 . ASP . 52556 1 269 . ALA . 52556 1 270 . TYR . 52556 1 271 . ASP . 52556 1 272 . VAL . 52556 1 273 . TYR . 52556 1 274 . GLY . 52556 1 275 . GLY . 52556 1 276 . LEU . 52556 1 277 . GLY . 52556 1 278 . LEU . 52556 1 279 . LEU . 52556 1 280 . VAL . 52556 1 281 . ASP . 52556 1 282 . GLN . 52556 1 283 . ASN . 52556 1 284 . LYS . 52556 1 285 . TYR . 52556 1 286 . GLN . 52556 1 287 . THR . 52556 1 288 . LYS . 52556 1 289 . LEU . 52556 1 290 . ALA . 52556 1 291 . GLN . 52556 1 292 . MET . 52556 1 293 . GLY . 52556 1 294 . LEU . 52556 1 295 . ARG . 52556 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52556 1 . GLN 2 2 52556 1 . VAL 3 3 52556 1 . GLU 4 4 52556 1 . VAL 5 5 52556 1 . PHE 6 6 52556 1 . ASN 7 7 52556 1 . GLY 8 8 52556 1 . GLN 9 9 52556 1 . ASP 10 10 52556 1 . THR 11 11 52556 1 . ARG 12 12 52556 1 . ASP 13 13 52556 1 . GLY 14 14 52556 1 . VAL 15 15 52556 1 . ASN 16 16 52556 1 . ILE 17 17 52556 1 . LEU 18 18 52556 1 . ILE 19 19 52556 1 . MET 20 20 52556 1 . GLY 21 21 52556 1 . THR 22 22 52556 1 . ASP 23 23 52556 1 . GLY 24 24 52556 1 . ARG 25 25 52556 1 . ILE 26 26 52556 1 . GLY 27 27 52556 1 . GLN 28 28 52556 1 . ASN 29 29 52556 1 . SER 30 30 52556 1 . VAL 31 31 52556 1 . GLU 32 32 52556 1 . THR 33 33 52556 1 . ARG 34 34 52556 1 . THR 35 35 52556 1 . ASP 36 36 52556 1 . SER 37 37 52556 1 . ILE 38 38 52556 1 . MET 39 39 52556 1 . VAL 40 40 52556 1 . LEU 41 41 52556 1 . ASN 42 42 52556 1 . VAL 43 43 52556 1 . GLY 44 44 52556 1 . GLY 45 45 52556 1 . SER 46 46 52556 1 . ASP 47 47 52556 1 . LYS 48 48 52556 1 . LYS 49 49 52556 1 . MET 50 50 52556 1 . LYS 51 51 52556 1 . LEU 52 52 52556 1 . VAL 53 53 52556 1 . SER 54 54 52556 1 . PHE 55 55 52556 1 . MET 56 56 52556 1 . ARG 57 57 52556 1 . ASP 58 58 52556 1 . ASN 59 59 52556 1 . LEU 60 60 52556 1 . VAL 61 61 52556 1 . TYR 62 62 52556 1 . ILE 63 63 52556 1 . ASP 64 64 52556 1 . GLY 65 65 52556 1 . TYR 66 66 52556 1 . SER 67 67 52556 1 . GLN 68 68 52556 1 . VAL 69 69 52556 1 . ILE 70 70 52556 1 . ASN 71 71 52556 1 . GLY 72 72 52556 1 . ARG 73 73 52556 1 . LYS 74 74 52556 1 . GLN 75 75 52556 1 . THR 76 76 52556 1 . ASP 77 77 52556 1 . ASN 78 78 52556 1 . LYS 79 79 52556 1 . LEU 80 80 52556 1 . ASN 81 81 52556 1 . VAL 82 82 52556 1 . ALA 83 83 52556 1 . TYR 84 84 52556 1 . GLU 85 85 52556 1 . LEU 86 86 52556 1 . GLY 87 87 52556 1 . GLU 88 88 52556 1 . GLN 89 89 52556 1 . GLU 90 90 52556 1 . GLY 91 91 52556 1 . GLN 92 92 52556 1 . LYS 93 93 52556 1 . GLY 94 94 52556 1 . ALA 95 95 52556 1 . GLU 96 96 52556 1 . MET 97 97 52556 1 . VAL 98 98 52556 1 . ARG 99 99 52556 1 . GLN 100 100 52556 1 . VAL 101 101 52556 1 . LEU 102 102 52556 1 . LYS 103 103 52556 1 . ASP 104 104 52556 1 . ASN 105 105 52556 1 . PHE 106 106 52556 1 . ASP 107 107 52556 1 . LEU 108 108 52556 1 . ASP 109 109 52556 1 . ILE 110 110 52556 1 . LYS 111 111 52556 1 . TYR 112 112 52556 1 . TYR 113 113 52556 1 . ALA 114 114 52556 1 . LEU 115 115 52556 1 . VAL 116 116 52556 1 . ASP 117 117 52556 1 . PHE 118 118 52556 1 . GLN 119 119 52556 1 . ALA 120 120 52556 1 . PHE 121 121 52556 1 . ALA 122 122 52556 1 . THR 123 123 52556 1 . ALA 124 124 52556 1 . ILE 125 125 52556 1 . ASP 126 126 52556 1 . THR 127 127 52556 1 . LEU 128 128 52556 1 . PHE 129 129 52556 1 . PRO 130 130 52556 1 . ASP 131 131 52556 1 . GLY 132 132 52556 1 . VAL 133 133 52556 1 . THR 134 134 52556 1 . ILE 135 135 52556 1 . ASP 136 136 52556 1 . ALA 137 137 52556 1 . GLN 138 138 52556 1 . PHE 139 139 52556 1 . SER 140 140 52556 1 . THR 141 141 52556 1 . LEU 142 142 52556 1 . ASN 143 143 52556 1 . GLY 144 144 52556 1 . ARG 145 145 52556 1 . PRO 146 146 52556 1 . LEU 147 147 52556 1 . THR 148 148 52556 1 . GLU 149 149 52556 1 . ALA 150 150 52556 1 . THR 151 151 52556 1 . VAL 152 152 52556 1 . GLY 153 153 52556 1 . ASP 154 154 52556 1 . ASP 155 155 52556 1 . LEU 156 156 52556 1 . TYR 157 157 52556 1 . ALA 158 158 52556 1 . THR 159 159 52556 1 . GLU 160 160 52556 1 . THR 161 161 52556 1 . GLU 162 162 52556 1 . SER 163 163 52556 1 . PRO 164 164 52556 1 . THR 165 165 52556 1 . GLN 166 166 52556 1 . THR 167 167 52556 1 . ILE 168 168 52556 1 . LYS 169 169 52556 1 . VAL 170 170 52556 1 . GLY 171 171 52556 1 . LYS 172 172 52556 1 . GLN 173 173 52556 1 . GLN 174 174 52556 1 . MET 175 175 52556 1 . ASN 176 176 52556 1 . GLY 177 177 52556 1 . SER 178 178 52556 1 . THR 179 179 52556 1 . LEU 180 180 52556 1 . LEU 181 181 52556 1 . ASN 182 182 52556 1 . TYR 183 183 52556 1 . ALA 184 184 52556 1 . ARG 185 185 52556 1 . PHE 186 186 52556 1 . ARG 187 187 52556 1 . ASP 188 188 52556 1 . ASP 189 189 52556 1 . ASP 190 190 52556 1 . GLU 191 191 52556 1 . ALA 192 192 52556 1 . ASP 193 193 52556 1 . TYR 194 194 52556 1 . GLY 195 195 52556 1 . ARG 196 196 52556 1 . THR 197 197 52556 1 . LYS 198 198 52556 1 . ARG 199 199 52556 1 . GLN 200 200 52556 1 . GLN 201 201 52556 1 . GLN 202 202 52556 1 . VAL 203 203 52556 1 . LEU 204 204 52556 1 . THR 205 205 52556 1 . ALA 206 206 52556 1 . ILE 207 207 52556 1 . LEU 208 208 52556 1 . GLU 209 209 52556 1 . GLN 210 210 52556 1 . ILE 211 211 52556 1 . LYS 212 212 52556 1 . ASP 213 213 52556 1 . PRO 214 214 52556 1 . THR 215 215 52556 1 . LYS 216 216 52556 1 . LEU 217 217 52556 1 . PHE 218 218 52556 1 . THR 219 219 52556 1 . GLY 220 220 52556 1 . SER 221 221 52556 1 . GLU 222 222 52556 1 . ALA 223 223 52556 1 . LEU 224 224 52556 1 . GLY 225 225 52556 1 . LYS 226 226 52556 1 . VAL 227 227 52556 1 . PHE 228 228 52556 1 . ALA 229 229 52556 1 . MET 230 230 52556 1 . THR 231 231 52556 1 . SER 232 232 52556 1 . THR 233 233 52556 1 . ASN 234 234 52556 1 . VAL 235 235 52556 1 . PRO 236 236 52556 1 . TYR 237 237 52556 1 . THR 238 238 52556 1 . PHE 239 239 52556 1 . LEU 240 240 52556 1 . LEU 241 241 52556 1 . THR 242 242 52556 1 . ASN 243 243 52556 1 . GLY 244 244 52556 1 . LEU 245 245 52556 1 . SER 246 246 52556 1 . VAL 247 247 52556 1 . LEU 248 248 52556 1 . ASP 249 249 52556 1 . GLY 250 250 52556 1 . ALA 251 251 52556 1 . LYS 252 252 52556 1 . ASN 253 253 52556 1 . GLY 254 254 52556 1 . ILE 255 255 52556 1 . GLU 256 256 52556 1 . LYS 257 257 52556 1 . LEU 258 258 52556 1 . THR 259 259 52556 1 . ILE 260 260 52556 1 . PRO 261 261 52556 1 . GLU 262 262 52556 1 . LEU 263 263 52556 1 . GLY 264 264 52556 1 . ASP 265 265 52556 1 . TRP 266 266 52556 1 . VAL 267 267 52556 1 . ASP 268 268 52556 1 . ALA 269 269 52556 1 . TYR 270 270 52556 1 . ASP 271 271 52556 1 . VAL 272 272 52556 1 . TYR 273 273 52556 1 . GLY 274 274 52556 1 . GLY 275 275 52556 1 . LEU 276 276 52556 1 . GLY 277 277 52556 1 . LEU 278 278 52556 1 . LEU 279 279 52556 1 . VAL 280 280 52556 1 . ASP 281 281 52556 1 . GLN 282 282 52556 1 . ASN 283 283 52556 1 . LYS 284 284 52556 1 . TYR 285 285 52556 1 . GLN 286 286 52556 1 . THR 287 287 52556 1 . LYS 288 288 52556 1 . LEU 289 289 52556 1 . ALA 290 290 52556 1 . GLN 291 291 52556 1 . MET 292 292 52556 1 . GLY 293 293 52556 1 . LEU 294 294 52556 1 . ARG 295 295 52556 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52556 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . 52556 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52556 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28 . . . 52556 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52556 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 spr1226 '[U-99% 13C; U-99% 15N; U-99% 2H]' . . 1 $entity_1 . . 0.7 . . mM 0.01 . . . 52556 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52556 _Sample.ID 2 _Sample.Name sample2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 spr1226 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.7 . . mM 0.01 . . . 52556 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52556 _Sample.ID 3 _Sample.Name sample3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 spr1226 '[U-75% 13C; U-75% 15N; U-75% 2H]' . . 1 $entity_1 . . 1.0 . . mM 0.01 . . . 52556 3 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 52556 _Sample_condition_list.ID 1 _Sample_condition_list.Name normal _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' 0.15 0.001 M 52556 1 pH 6.8 0.1 pH 52556 1 pressure 1 . atm 52556 1 temperature 308 0.1 K 52556 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52556 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5pl7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52556 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52556 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52556 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52556 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name cryo _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52556 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52556 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52556 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52556 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52556 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52556 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52556 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name spr1226_backbone _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52556 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52556 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 1 1 GLY N N 15 110.34 0.1 . . . . . . . 1 G N . 52556 1 2 . 1 . 1 2 2 GLN C C 13 172.98 0.1 . . . . . . . 2 Q C . 52556 1 3 . 1 . 1 2 2 GLN CA C 13 52.74 0.1 . . . . . . . 2 Q CA . 52556 1 4 . 1 . 1 2 2 GLN CB C 13 26.25 0.1 . . . . . . . 2 Q CB . 52556 1 5 . 1 . 1 3 3 VAL H H 1 8.22 0.01 . . . . . . . 3 V HN . 52556 1 6 . 1 . 1 3 3 VAL C C 13 173.06 0.1 . . . . . . . 3 V C . 52556 1 7 . 1 . 1 3 3 VAL CA C 13 59.46 0.1 . . . . . . . 3 V CA . 52556 1 8 . 1 . 1 3 3 VAL CB C 13 29.51 0.1 . . . . . . . 3 V CB . 52556 1 9 . 1 . 1 3 3 VAL N N 15 123.72 0.1 . . . . . . . 3 V N . 52556 1 10 . 1 . 1 4 4 GLU H H 1 8.00 0.01 . . . . . . . 4 E HN . 52556 1 11 . 1 . 1 4 4 GLU C C 13 173.69 0.1 . . . . . . . 4 E C . 52556 1 12 . 1 . 1 4 4 GLU CA C 13 52.61 0.1 . . . . . . . 4 E CA . 52556 1 13 . 1 . 1 4 4 GLU CB C 13 27.33 0.1 . . . . . . . 4 E CB . 52556 1 14 . 1 . 1 4 4 GLU N N 15 124.71 0.1 . . . . . . . 4 E N . 52556 1 15 . 1 . 1 5 5 VAL H H 1 8.28 0.01 . . . . . . . 5 V HN . 52556 1 16 . 1 . 1 5 5 VAL C C 13 172.19 0.1 . . . . . . . 5 V C . 52556 1 17 . 1 . 1 5 5 VAL CA C 13 59.61 0.1 . . . . . . . 5 V CA . 52556 1 18 . 1 . 1 5 5 VAL CB C 13 29.13 0.1 . . . . . . . 5 V CB . 52556 1 19 . 1 . 1 5 5 VAL N N 15 121.49 0.1 . . . . . . . 5 V N . 52556 1 20 . 1 . 1 6 6 PHE H H 1 8.23 0.01 . . . . . . . 6 F HN . 52556 1 21 . 1 . 1 6 6 PHE C C 13 172.20 0.1 . . . . . . . 6 F C . 52556 1 22 . 1 . 1 6 6 PHE CA C 13 56.45 0.1 . . . . . . . 6 F CA . 52556 1 23 . 1 . 1 6 6 PHE CB C 13 38.29 0.1 . . . . . . . 6 F CB . 52556 1 24 . 1 . 1 6 6 PHE N N 15 124.68 0.1 . . . . . . . 6 F N . 52556 1 25 . 1 . 1 7 7 ASN H H 1 8.88 0.01 . . . . . . . 7 N HN . 52556 1 26 . 1 . 1 7 7 ASN C C 13 171.72 0.1 . . . . . . . 7 N C . 52556 1 27 . 1 . 1 7 7 ASN CA C 13 48.91 0.1 . . . . . . . 7 N CA . 52556 1 28 . 1 . 1 7 7 ASN CB C 13 34.38 0.1 . . . . . . . 7 N CB . 52556 1 29 . 1 . 1 7 7 ASN N N 15 132.12 0.1 . . . . . . . 7 N N . 52556 1 30 . 1 . 1 8 8 GLY H H 1 7.75 0.01 . . . . . . . 8 G HN . 52556 1 31 . 1 . 1 8 8 GLY C C 13 171.28 0.1 . . . . . . . 8 G C . 52556 1 32 . 1 . 1 8 8 GLY CA C 13 42.88 0.1 . . . . . . . 8 G CA . 52556 1 33 . 1 . 1 8 8 GLY N N 15 106.80 0.1 . . . . . . . 8 G N . 52556 1 34 . 1 . 1 9 9 GLN H H 1 7.89 0.01 . . . . . . . 9 Q HN . 52556 1 35 . 1 . 1 9 9 GLN C C 13 171.42 0.1 . . . . . . . 9 Q C . 52556 1 36 . 1 . 1 9 9 GLN CA C 13 50.85 0.1 . . . . . . . 9 Q CA . 52556 1 37 . 1 . 1 9 9 GLN CB C 13 29.89 0.1 . . . . . . . 9 Q CB . 52556 1 38 . 1 . 1 9 9 GLN N N 15 122.18 0.1 . . . . . . . 9 Q N . 52556 1 39 . 1 . 1 10 10 ASP H H 1 8.04 0.01 . . . . . . . 10 D HN . 52556 1 40 . 1 . 1 10 10 ASP CA C 13 51.98 0.1 . . . . . . . 10 D CA . 52556 1 41 . 1 . 1 10 10 ASP CB C 13 39.25 0.1 . . . . . . . 10 D CB . 52556 1 42 . 1 . 1 10 10 ASP N N 15 119.65 0.1 . . . . . . . 10 D N . 52556 1 43 . 1 . 1 11 11 THR H H 1 8.47 0.01 . . . . . . . 11 T HN . 52556 1 44 . 1 . 1 11 11 THR C C 13 171.27 0.1 . . . . . . . 11 T C . 52556 1 45 . 1 . 1 11 11 THR CA C 13 55.24 0.1 . . . . . . . 11 T CA . 52556 1 46 . 1 . 1 11 11 THR CB C 13 66.83 0.1 . . . . . . . 11 T CB . 52556 1 47 . 1 . 1 11 11 THR N N 15 114.63 0.1 . . . . . . . 11 T N . 52556 1 48 . 1 . 1 12 12 ARG H H 1 7.65 0.01 . . . . . . . 12 R HN . 52556 1 49 . 1 . 1 12 12 ARG C C 13 173.61 0.1 . . . . . . . 12 R C . 52556 1 50 . 1 . 1 12 12 ARG CA C 13 56.16 0.1 . . . . . . . 12 R CA . 52556 1 51 . 1 . 1 12 12 ARG CB C 13 27.20 0.1 . . . . . . . 12 R CB . 52556 1 52 . 1 . 1 12 12 ARG N N 15 125.77 0.1 . . . . . . . 12 R N . 52556 1 53 . 1 . 1 13 13 ASP H H 1 8.96 0.01 . . . . . . . 13 D HN . 52556 1 54 . 1 . 1 13 13 ASP C C 13 171.78 0.1 . . . . . . . 13 D C . 52556 1 55 . 1 . 1 13 13 ASP CA C 13 50.50 0.1 . . . . . . . 13 D CA . 52556 1 56 . 1 . 1 13 13 ASP CB C 13 40.21 0.1 . . . . . . . 13 D CB . 52556 1 57 . 1 . 1 13 13 ASP N N 15 121.68 0.1 . . . . . . . 13 D N . 52556 1 58 . 1 . 1 14 14 GLY H H 1 8.12 0.01 . . . . . . . 14 G HN . 52556 1 59 . 1 . 1 14 14 GLY C C 13 169.78 0.1 . . . . . . . 14 G C . 52556 1 60 . 1 . 1 14 14 GLY CA C 13 41.26 0.1 . . . . . . . 14 G CA . 52556 1 61 . 1 . 1 14 14 GLY N N 15 112.46 0.1 . . . . . . . 14 G N . 52556 1 62 . 1 . 1 15 15 VAL H H 1 8.57 0.01 . . . . . . . 15 V HN . 52556 1 63 . 1 . 1 15 15 VAL C C 13 170.99 0.1 . . . . . . . 15 V C . 52556 1 64 . 1 . 1 15 15 VAL CA C 13 58.77 0.1 . . . . . . . 15 V CA . 52556 1 65 . 1 . 1 15 15 VAL CB C 13 32.38 0.1 . . . . . . . 15 V CB . 52556 1 66 . 1 . 1 15 15 VAL N N 15 121.51 0.1 . . . . . . . 15 V N . 52556 1 67 . 1 . 1 16 16 ASN H H 1 8.38 0.01 . . . . . . . 16 N HN . 52556 1 68 . 1 . 1 16 16 ASN C C 13 172.58 0.1 . . . . . . . 16 N C . 52556 1 69 . 1 . 1 16 16 ASN CA C 13 48.99 0.1 . . . . . . . 16 N CA . 52556 1 70 . 1 . 1 16 16 ASN CB C 13 37.05 0.1 . . . . . . . 16 N CB . 52556 1 71 . 1 . 1 16 16 ASN N N 15 123.26 0.1 . . . . . . . 16 N N . 52556 1 72 . 1 . 1 17 17 ILE H H 1 9.60 0.01 . . . . . . . 17 I HN . 52556 1 73 . 1 . 1 17 17 ILE C C 13 172.07 0.1 . . . . . . . 17 I C . 52556 1 74 . 1 . 1 17 17 ILE CA C 13 57.00 0.1 . . . . . . . 17 I CA . 52556 1 75 . 1 . 1 17 17 ILE CB C 13 37.97 0.1 . . . . . . . 17 I CB . 52556 1 76 . 1 . 1 17 17 ILE N N 15 122.68 0.1 . . . . . . . 17 I N . 52556 1 77 . 1 . 1 18 18 LEU H H 1 8.97 0.01 . . . . . . . 18 L HN . 52556 1 78 . 1 . 1 18 18 LEU C C 13 171.02 0.1 . . . . . . . 18 L C . 52556 1 79 . 1 . 1 18 18 LEU CA C 13 51.34 0.1 . . . . . . . 18 L CA . 52556 1 80 . 1 . 1 18 18 LEU CB C 13 41.38 0.1 . . . . . . . 18 L CB . 52556 1 81 . 1 . 1 18 18 LEU N N 15 130.49 0.1 . . . . . . . 18 L N . 52556 1 82 . 1 . 1 19 19 ILE H H 1 9.47 0.01 . . . . . . . 19 I HN . 52556 1 83 . 1 . 1 19 19 ILE C C 13 172.52 0.1 . . . . . . . 19 I C . 52556 1 84 . 1 . 1 19 19 ILE CA C 13 57.00 0.1 . . . . . . . 19 I CA . 52556 1 85 . 1 . 1 19 19 ILE CB C 13 36.52 0.1 . . . . . . . 19 I CB . 52556 1 86 . 1 . 1 19 19 ILE N N 15 129.69 0.1 . . . . . . . 19 I N . 52556 1 87 . 1 . 1 23 23 ASP C C 13 173.75 0.1 . . . . . . . 23 D C . 52556 1 88 . 1 . 1 23 23 ASP CA C 13 50.47 0.1 . . . . . . . 23 D CA . 52556 1 89 . 1 . 1 23 23 ASP CB C 13 39.19 0.1 . . . . . . . 23 D CB . 52556 1 90 . 1 . 1 24 24 GLY H H 1 8.42 0.01 . . . . . . . 24 G HN . 52556 1 91 . 1 . 1 24 24 GLY C C 13 171.50 0.1 . . . . . . . 24 G C . 52556 1 92 . 1 . 1 24 24 GLY CA C 13 42.53 0.1 . . . . . . . 24 G CA . 52556 1 93 . 1 . 1 24 24 GLY N N 15 111.25 0.1 . . . . . . . 24 G N . 52556 1 94 . 1 . 1 25 25 ARG H H 1 8.16 0.01 . . . . . . . 25 R HN . 52556 1 95 . 1 . 1 25 25 ARG C C 13 173.81 0.1 . . . . . . . 25 R C . 52556 1 96 . 1 . 1 25 25 ARG CA C 13 53.12 0.1 . . . . . . . 25 R CA . 52556 1 97 . 1 . 1 25 25 ARG CB C 13 27.46 0.1 . . . . . . . 25 R CB . 52556 1 98 . 1 . 1 25 25 ARG N N 15 120.95 0.1 . . . . . . . 25 R N . 52556 1 99 . 1 . 1 26 26 ILE H H 1 8.06 0.01 . . . . . . . 26 I HN . 52556 1 100 . 1 . 1 26 26 ILE C C 13 174.17 0.1 . . . . . . . 26 I C . 52556 1 101 . 1 . 1 26 26 ILE CA C 13 58.47 0.1 . . . . . . . 26 I CA . 52556 1 102 . 1 . 1 26 26 ILE CB C 13 35.00 0.1 . . . . . . . 26 I CB . 52556 1 103 . 1 . 1 26 26 ILE N N 15 121.86 0.1 . . . . . . . 26 I N . 52556 1 104 . 1 . 1 27 27 GLY H H 1 8.35 0.01 . . . . . . . 27 G HN . 52556 1 105 . 1 . 1 27 27 GLY C C 13 171.58 0.1 . . . . . . . 27 G C . 52556 1 106 . 1 . 1 27 27 GLY CA C 13 42.18 0.1 . . . . . . . 27 G CA . 52556 1 107 . 1 . 1 27 27 GLY N N 15 113.60 0.1 . . . . . . . 27 G N . 52556 1 108 . 1 . 1 28 28 GLN H H 1 8.10 0.01 . . . . . . . 28 Q HN . 52556 1 109 . 1 . 1 28 28 GLN C C 13 172.10 0.1 . . . . . . . 28 Q C . 52556 1 110 . 1 . 1 28 28 GLN CA C 13 52.59 0.1 . . . . . . . 28 Q CA . 52556 1 111 . 1 . 1 28 28 GLN CB C 13 26.29 0.1 . . . . . . . 28 Q CB . 52556 1 112 . 1 . 1 28 28 GLN N N 15 120.62 0.1 . . . . . . . 28 Q N . 52556 1 113 . 1 . 1 29 29 ASN H H 1 7.95 0.01 . . . . . . . 29 N HN . 52556 1 114 . 1 . 1 29 29 ASN C C 13 176.60 0.1 . . . . . . . 29 N C . 52556 1 115 . 1 . 1 29 29 ASN CA C 13 51.85 0.1 . . . . . . . 29 N CA . 52556 1 116 . 1 . 1 29 29 ASN CB C 13 37.77 0.1 . . . . . . . 29 N CB . 52556 1 117 . 1 . 1 29 29 ASN N N 15 126.14 0.1 . . . . . . . 29 N N . 52556 1 118 . 1 . 1 30 30 SER C C 13 171.85 0.1 . . . . . . . 30 S C . 52556 1 119 . 1 . 1 30 30 SER CA C 13 60.87 0.1 . . . . . . . 30 S CA . 52556 1 120 . 1 . 1 30 30 SER CB C 13 61.20 0.1 . . . . . . . 30 S CB . 52556 1 121 . 1 . 1 31 31 VAL H H 1 7.99 0.01 . . . . . . . 31 V HN . 52556 1 122 . 1 . 1 31 31 VAL C C 13 173.51 0.1 . . . . . . . 31 V C . 52556 1 123 . 1 . 1 31 31 VAL CA C 13 59.59 0.1 . . . . . . . 31 V CA . 52556 1 124 . 1 . 1 31 31 VAL CB C 13 29.06 0.1 . . . . . . . 31 V CB . 52556 1 125 . 1 . 1 31 31 VAL N N 15 120.52 0.1 . . . . . . . 31 V N . 52556 1 126 . 1 . 1 32 32 GLU H H 1 8.24 0.01 . . . . . . . 32 E HN . 52556 1 127 . 1 . 1 32 32 GLU C C 13 173.51 0.1 . . . . . . . 32 E C . 52556 1 128 . 1 . 1 32 32 GLU CA C 13 53.51 0.1 . . . . . . . 32 E CA . 52556 1 129 . 1 . 1 32 32 GLU CB C 13 27.07 0.1 . . . . . . . 32 E CB . 52556 1 130 . 1 . 1 32 32 GLU N N 15 123.11 0.1 . . . . . . . 32 E N . 52556 1 131 . 1 . 1 33 33 THR H H 1 8.05 0.01 . . . . . . . 33 T HN . 52556 1 132 . 1 . 1 33 33 THR C C 13 171.05 0.1 . . . . . . . 33 T C . 52556 1 133 . 1 . 1 33 33 THR CA C 13 58.87 0.1 . . . . . . . 33 T CA . 52556 1 134 . 1 . 1 33 33 THR CB C 13 66.95 0.1 . . . . . . . 33 T CB . 52556 1 135 . 1 . 1 33 33 THR N N 15 115.81 0.1 . . . . . . . 33 T N . 52556 1 136 . 1 . 1 34 34 ARG H H 1 8.26 0.01 . . . . . . . 34 R HN . 52556 1 137 . 1 . 1 34 34 ARG C C 13 172.12 0.1 . . . . . . . 34 R C . 52556 1 138 . 1 . 1 34 34 ARG CA C 13 52.11 0.1 . . . . . . . 34 R CA . 52556 1 139 . 1 . 1 34 34 ARG CB C 13 27.10 0.1 . . . . . . . 34 R CB . 52556 1 140 . 1 . 1 34 34 ARG N N 15 122.91 0.1 . . . . . . . 34 R N . 52556 1 141 . 1 . 1 35 35 THR C C 13 167.94 0.1 . . . . . . . 35 T C . 52556 1 142 . 1 . 1 35 35 THR CA C 13 56.58 0.1 . . . . . . . 35 T CA . 52556 1 143 . 1 . 1 35 35 THR CB C 13 65.81 0.1 . . . . . . . 35 T CB . 52556 1 144 . 1 . 1 36 36 ASP H H 1 6.85 0.01 . . . . . . . 36 D HN . 52556 1 145 . 1 . 1 36 36 ASP C C 13 172.73 0.1 . . . . . . . 36 D C . 52556 1 146 . 1 . 1 36 36 ASP CA C 13 48.68 0.1 . . . . . . . 36 D CA . 52556 1 147 . 1 . 1 36 36 ASP CB C 13 34.93 0.1 . . . . . . . 36 D CB . 52556 1 148 . 1 . 1 36 36 ASP N N 15 122.23 0.1 . . . . . . . 36 D N . 52556 1 149 . 1 . 1 37 37 SER C C 13 170.40 0.1 . . . . . . . 37 S C . 52556 1 150 . 1 . 1 37 37 SER CA C 13 55.02 0.1 . . . . . . . 37 S CA . 52556 1 151 . 1 . 1 38 38 ILE H H 1 8.80 0.01 . . . . . . . 38 I HN . 52556 1 152 . 1 . 1 38 38 ILE C C 13 171.43 0.1 . . . . . . . 38 I C . 52556 1 153 . 1 . 1 38 38 ILE CA C 13 59.16 0.1 . . . . . . . 38 I CA . 52556 1 154 . 1 . 1 38 38 ILE CB C 13 36.98 0.1 . . . . . . . 38 I CB . 52556 1 155 . 1 . 1 38 38 ILE N N 15 124.21 0.1 . . . . . . . 38 I N . 52556 1 156 . 1 . 1 39 39 MET H H 1 8.93 0.01 . . . . . . . 39 M HN . 52556 1 157 . 1 . 1 39 39 MET C C 13 171.97 0.1 . . . . . . . 39 M C . 52556 1 158 . 1 . 1 39 39 MET CA C 13 50.79 0.1 . . . . . . . 39 M CA . 52556 1 159 . 1 . 1 39 39 MET CB C 13 34.69 0.1 . . . . . . . 39 M CB . 52556 1 160 . 1 . 1 39 39 MET N N 15 126.26 0.1 . . . . . . . 39 M N . 52556 1 161 . 1 . 1 40 40 VAL H H 1 9.39 0.01 . . . . . . . 40 V HN . 52556 1 162 . 1 . 1 40 40 VAL C C 13 170.37 0.1 . . . . . . . 40 V C . 52556 1 163 . 1 . 1 40 40 VAL CA C 13 58.12 0.1 . . . . . . . 40 V CA . 52556 1 164 . 1 . 1 40 40 VAL CB C 13 31.45 0.1 . . . . . . . 40 V CB . 52556 1 165 . 1 . 1 40 40 VAL N N 15 120.33 0.1 . . . . . . . 40 V N . 52556 1 166 . 1 . 1 41 41 LEU H H 1 9.18 0.01 . . . . . . . 41 L HN . 52556 1 167 . 1 . 1 41 41 LEU C C 13 172.32 0.1 . . . . . . . 41 L C . 52556 1 168 . 1 . 1 41 41 LEU CA C 13 49.44 0.1 . . . . . . . 41 L CA . 52556 1 169 . 1 . 1 41 41 LEU N N 15 129.91 0.1 . . . . . . . 41 L N . 52556 1 170 . 1 . 1 42 42 ASN C C 13 172.14 0.1 . . . . . . . 42 N C . 52556 1 171 . 1 . 1 42 42 ASN CA C 13 49.72 0.1 . . . . . . . 42 N CA . 52556 1 172 . 1 . 1 42 42 ASN CB C 13 39.26 0.1 . . . . . . . 42 N CB . 52556 1 173 . 1 . 1 43 43 VAL H H 1 8.42 0.01 . . . . . . . 43 V HN . 52556 1 174 . 1 . 1 43 43 VAL C C 13 172.69 0.1 . . . . . . . 43 V C . 52556 1 175 . 1 . 1 43 43 VAL CA C 13 55.71 0.1 . . . . . . . 43 V CA . 52556 1 176 . 1 . 1 43 43 VAL CB C 13 31.63 0.1 . . . . . . . 43 V CB . 52556 1 177 . 1 . 1 43 43 VAL N N 15 118.20 0.1 . . . . . . . 43 V N . 52556 1 178 . 1 . 1 44 44 GLY H H 1 8.74 0.01 . . . . . . . 44 G HN . 52556 1 179 . 1 . 1 44 44 GLY C C 13 173.26 0.1 . . . . . . . 44 G C . 52556 1 180 . 1 . 1 44 44 GLY CA C 13 42.89 0.1 . . . . . . . 44 G CA . 52556 1 181 . 1 . 1 44 44 GLY N N 15 107.81 0.1 . . . . . . . 44 G N . 52556 1 182 . 1 . 1 45 45 GLY H H 1 9.18 0.01 . . . . . . . 45 G HN . 52556 1 183 . 1 . 1 45 45 GLY C C 13 173.91 0.1 . . . . . . . 45 G C . 52556 1 184 . 1 . 1 45 45 GLY CA C 13 41.25 0.1 . . . . . . . 45 G CA . 52556 1 185 . 1 . 1 45 45 GLY N N 15 110.25 0.1 . . . . . . . 45 G N . 52556 1 186 . 1 . 1 46 46 SER H H 1 10.32 0.01 . . . . . . . 46 S HN . 52556 1 187 . 1 . 1 46 46 SER C C 13 172.90 0.1 . . . . . . . 46 S C . 52556 1 188 . 1 . 1 46 46 SER CA C 13 58.89 0.1 . . . . . . . 46 S CA . 52556 1 189 . 1 . 1 46 46 SER CB C 13 60.09 0.1 . . . . . . . 46 S CB . 52556 1 190 . 1 . 1 46 46 SER N N 15 120.39 0.1 . . . . . . . 46 S N . 52556 1 191 . 1 . 1 47 47 ASP H H 1 8.30 0.01 . . . . . . . 47 D HN . 52556 1 192 . 1 . 1 47 47 ASP C C 13 173.50 0.1 . . . . . . . 47 D C . 52556 1 193 . 1 . 1 47 47 ASP CA C 13 50.76 0.1 . . . . . . . 47 D CA . 52556 1 194 . 1 . 1 47 47 ASP CB C 13 36.79 0.1 . . . . . . . 47 D CB . 52556 1 195 . 1 . 1 47 47 ASP N N 15 120.42 0.1 . . . . . . . 47 D N . 52556 1 196 . 1 . 1 48 48 LYS H H 1 7.92 0.01 . . . . . . . 48 K HN . 52556 1 197 . 1 . 1 48 48 LYS C C 13 172.53 0.1 . . . . . . . 48 K C . 52556 1 198 . 1 . 1 48 48 LYS CA C 13 54.54 0.1 . . . . . . . 48 K CA . 52556 1 199 . 1 . 1 48 48 LYS CB C 13 25.98 0.1 . . . . . . . 48 K CB . 52556 1 200 . 1 . 1 48 48 LYS N N 15 112.53 0.1 . . . . . . . 48 K N . 52556 1 201 . 1 . 1 49 49 LYS H H 1 7.65 0.01 . . . . . . . 49 K HN . 52556 1 202 . 1 . 1 49 49 LYS C C 13 174.49 0.1 . . . . . . . 49 K C . 52556 1 203 . 1 . 1 49 49 LYS CA C 13 51.98 0.1 . . . . . . . 49 K CA . 52556 1 204 . 1 . 1 49 49 LYS CB C 13 31.23 0.1 . . . . . . . 49 K CB . 52556 1 205 . 1 . 1 49 49 LYS N N 15 118.12 0.1 . . . . . . . 49 K N . 52556 1 206 . 1 . 1 50 50 MET H H 1 8.71 0.01 . . . . . . . 50 M HN . 52556 1 207 . 1 . 1 50 50 MET C C 13 172.59 0.1 . . . . . . . 50 M C . 52556 1 208 . 1 . 1 50 50 MET CA C 13 52.86 0.1 . . . . . . . 50 M CA . 52556 1 209 . 1 . 1 50 50 MET CB C 13 32.16 0.1 . . . . . . . 50 M CB . 52556 1 210 . 1 . 1 50 50 MET N N 15 123.66 0.1 . . . . . . . 50 M N . 52556 1 211 . 1 . 1 51 51 LYS C C 13 171.15 0.1 . . . . . . . 51 K C . 52556 1 212 . 1 . 1 51 51 LYS CA C 13 52.35 0.1 . . . . . . . 51 K CA . 52556 1 213 . 1 . 1 51 51 LYS CB C 13 32.02 0.1 . . . . . . . 51 K CB . 52556 1 214 . 1 . 1 52 52 LEU H H 1 9.02 0.01 . . . . . . . 52 L HN . 52556 1 215 . 1 . 1 52 52 LEU C C 13 170.69 0.1 . . . . . . . 52 L C . 52556 1 216 . 1 . 1 52 52 LEU CA C 13 50.71 0.1 . . . . . . . 52 L CA . 52556 1 217 . 1 . 1 52 52 LEU CB C 13 43.10 0.1 . . . . . . . 52 L CB . 52556 1 218 . 1 . 1 52 52 LEU N N 15 125.07 0.1 . . . . . . . 52 L N . 52556 1 219 . 1 . 1 53 53 VAL H H 1 9.06 0.01 . . . . . . . 53 V HN . 52556 1 220 . 1 . 1 53 53 VAL C C 13 172.93 0.1 . . . . . . . 53 V C . 52556 1 221 . 1 . 1 53 53 VAL CA C 13 55.87 0.1 . . . . . . . 53 V CA . 52556 1 222 . 1 . 1 53 53 VAL CB C 13 30.95 0.1 . . . . . . . 53 V CB . 52556 1 223 . 1 . 1 53 53 VAL N N 15 124.59 0.1 . . . . . . . 53 V N . 52556 1 224 . 1 . 1 54 54 SER C C 13 169.63 0.1 . . . . . . . 54 S C . 52556 1 225 . 1 . 1 54 54 SER CA C 13 55.22 0.1 . . . . . . . 54 S CA . 52556 1 226 . 1 . 1 54 54 SER CB C 13 61.13 0.1 . . . . . . . 54 S CB . 52556 1 227 . 1 . 1 55 55 PHE H H 1 8.36 0.01 . . . . . . . 55 F HN . 52556 1 228 . 1 . 1 55 55 PHE C C 13 173.44 0.1 . . . . . . . 55 F C . 52556 1 229 . 1 . 1 55 55 PHE CA C 13 53.36 0.1 . . . . . . . 55 F CA . 52556 1 230 . 1 . 1 55 55 PHE CB C 13 37.65 0.1 . . . . . . . 55 F CB . 52556 1 231 . 1 . 1 55 55 PHE N N 15 121.11 0.1 . . . . . . . 55 F N . 52556 1 232 . 1 . 1 56 56 MET H H 1 8.01 0.01 . . . . . . . 56 M HN . 52556 1 233 . 1 . 1 56 56 MET C C 13 175.96 0.1 . . . . . . . 56 M C . 52556 1 234 . 1 . 1 56 56 MET CA C 13 54.74 0.1 . . . . . . . 56 M CA . 52556 1 235 . 1 . 1 56 56 MET CB C 13 28.43 0.1 . . . . . . . 56 M CB . 52556 1 236 . 1 . 1 56 56 MET N N 15 122.13 0.1 . . . . . . . 56 M N . 52556 1 237 . 1 . 1 57 57 ARG H H 1 8.98 0.01 . . . . . . . 57 R HN . 52556 1 238 . 1 . 1 57 57 ARG C C 13 173.12 0.1 . . . . . . . 57 R C . 52556 1 239 . 1 . 1 57 57 ARG CA C 13 56.66 0.1 . . . . . . . 57 R CA . 52556 1 240 . 1 . 1 57 57 ARG CB C 13 26.93 0.1 . . . . . . . 57 R CB . 52556 1 241 . 1 . 1 57 57 ARG N N 15 124.86 0.1 . . . . . . . 57 R N . 52556 1 242 . 1 . 1 58 58 ASP H H 1 8.17 0.01 . . . . . . . 58 D HN . 52556 1 243 . 1 . 1 58 58 ASP C C 13 173.53 0.1 . . . . . . . 58 D C . 52556 1 244 . 1 . 1 58 58 ASP CA C 13 51.76 0.1 . . . . . . . 58 D CA . 52556 1 245 . 1 . 1 58 58 ASP CB C 13 37.22 0.1 . . . . . . . 58 D CB . 52556 1 246 . 1 . 1 58 58 ASP N N 15 113.69 0.1 . . . . . . . 58 D N . 52556 1 247 . 1 . 1 59 59 ASN H H 1 7.16 0.01 . . . . . . . 59 N HN . 52556 1 248 . 1 . 1 59 59 ASN C C 13 172.34 0.1 . . . . . . . 59 N C . 52556 1 249 . 1 . 1 59 59 ASN CA C 13 53.48 0.1 . . . . . . . 59 N CA . 52556 1 250 . 1 . 1 59 59 ASN CB C 13 38.97 0.1 . . . . . . . 59 N CB . 52556 1 251 . 1 . 1 59 59 ASN N N 15 120.23 0.1 . . . . . . . 59 N N . 52556 1 252 . 1 . 1 60 60 LEU H H 1 8.82 0.01 . . . . . . . 60 L HN . 52556 1 253 . 1 . 1 60 60 LEU C C 13 175.08 0.1 . . . . . . . 60 L C . 52556 1 254 . 1 . 1 60 60 LEU CA C 13 51.56 0.1 . . . . . . . 60 L CA . 52556 1 255 . 1 . 1 60 60 LEU CB C 13 36.85 0.1 . . . . . . . 60 L CB . 52556 1 256 . 1 . 1 60 60 LEU N N 15 124.79 0.1 . . . . . . . 60 L N . 52556 1 257 . 1 . 1 61 61 VAL H H 1 9.76 0.01 . . . . . . . 61 V HN . 52556 1 258 . 1 . 1 61 61 VAL C C 13 171.26 0.1 . . . . . . . 61 V C . 52556 1 259 . 1 . 1 61 61 VAL CA C 13 56.05 0.1 . . . . . . . 61 V CA . 52556 1 260 . 1 . 1 61 61 VAL CB C 13 32.88 0.1 . . . . . . . 61 V CB . 52556 1 261 . 1 . 1 61 61 VAL N N 15 116.47 0.1 . . . . . . . 61 V N . 52556 1 262 . 1 . 1 62 62 TYR H H 1 9.10 0.01 . . . . . . . 62 Y HN . 52556 1 263 . 1 . 1 62 62 TYR C C 13 173.60 0.1 . . . . . . . 62 Y C . 52556 1 264 . 1 . 1 62 62 TYR CA C 13 54.38 0.1 . . . . . . . 62 Y CA . 52556 1 265 . 1 . 1 62 62 TYR CB C 13 36.01 0.1 . . . . . . . 62 Y CB . 52556 1 266 . 1 . 1 62 62 TYR N N 15 122.17 0.1 . . . . . . . 62 Y N . 52556 1 267 . 1 . 1 63 63 ILE H H 1 9.31 0.01 . . . . . . . 63 I HN . 52556 1 268 . 1 . 1 63 63 ILE C C 13 172.00 0.1 . . . . . . . 63 I C . 52556 1 269 . 1 . 1 63 63 ILE CA C 13 57.15 0.1 . . . . . . . 63 I CA . 52556 1 270 . 1 . 1 63 63 ILE CB C 13 34.07 0.1 . . . . . . . 63 I CB . 52556 1 271 . 1 . 1 63 63 ILE N N 15 129.66 0.1 . . . . . . . 63 I N . 52556 1 272 . 1 . 1 64 64 ASP H H 1 9.16 0.01 . . . . . . . 64 D HN . 52556 1 273 . 1 . 1 64 64 ASP C C 13 173.37 0.1 . . . . . . . 64 D C . 52556 1 274 . 1 . 1 64 64 ASP CA C 13 54.37 0.1 . . . . . . . 64 D CA . 52556 1 275 . 1 . 1 64 64 ASP CB C 13 38.47 0.1 . . . . . . . 64 D CB . 52556 1 276 . 1 . 1 64 64 ASP N N 15 132.35 0.1 . . . . . . . 64 D N . 52556 1 277 . 1 . 1 65 65 GLY H H 1 8.42 0.01 . . . . . . . 65 G HN . 52556 1 278 . 1 . 1 65 65 GLY C C 13 171.05 0.1 . . . . . . . 65 G C . 52556 1 279 . 1 . 1 65 65 GLY CA C 13 42.00 0.1 . . . . . . . 65 G CA . 52556 1 280 . 1 . 1 65 65 GLY N N 15 114.98 0.1 . . . . . . . 65 G N . 52556 1 281 . 1 . 1 66 66 TYR H H 1 7.88 0.01 . . . . . . . 66 Y HN . 52556 1 282 . 1 . 1 66 66 TYR C C 13 173.85 0.1 . . . . . . . 66 Y C . 52556 1 283 . 1 . 1 66 66 TYR CA C 13 56.63 0.1 . . . . . . . 66 Y CA . 52556 1 284 . 1 . 1 66 66 TYR CB C 13 37.65 0.1 . . . . . . . 66 Y CB . 52556 1 285 . 1 . 1 66 66 TYR N N 15 119.11 0.1 . . . . . . . 66 Y N . 52556 1 286 . 1 . 1 67 67 SER H H 1 8.26 0.01 . . . . . . . 67 S HN . 52556 1 287 . 1 . 1 67 67 SER C C 13 171.67 0.1 . . . . . . . 67 S C . 52556 1 288 . 1 . 1 67 67 SER CA C 13 56.63 0.1 . . . . . . . 67 S CA . 52556 1 289 . 1 . 1 67 67 SER CB C 13 63.53 0.1 . . . . . . . 67 S CB . 52556 1 290 . 1 . 1 67 67 SER N N 15 118.66 0.1 . . . . . . . 67 S N . 52556 1 291 . 1 . 1 68 68 GLN H H 1 9.07 0.01 . . . . . . . 68 Q HN . 52556 1 292 . 1 . 1 68 68 GLN C C 13 172.05 0.1 . . . . . . . 68 Q C . 52556 1 293 . 1 . 1 68 68 GLN CA C 13 53.15 0.1 . . . . . . . 68 Q CA . 52556 1 294 . 1 . 1 68 68 GLN CB C 13 27.69 0.1 . . . . . . . 68 Q CB . 52556 1 295 . 1 . 1 68 68 GLN N N 15 123.00 0.1 . . . . . . . 68 Q N . 52556 1 296 . 1 . 1 69 69 VAL H H 1 8.07 0.01 . . . . . . . 69 V HN . 52556 1 297 . 1 . 1 69 69 VAL C C 13 173.32 0.1 . . . . . . . 69 V C . 52556 1 298 . 1 . 1 69 69 VAL CA C 13 59.08 0.1 . . . . . . . 69 V CA . 52556 1 299 . 1 . 1 69 69 VAL CB C 13 29.62 0.1 . . . . . . . 69 V CB . 52556 1 300 . 1 . 1 69 69 VAL N N 15 121.32 0.1 . . . . . . . 69 V N . 52556 1 301 . 1 . 1 70 70 ILE H H 1 8.10 0.01 . . . . . . . 70 I HN . 52556 1 302 . 1 . 1 70 70 ILE C C 13 173.91 0.1 . . . . . . . 70 I C . 52556 1 303 . 1 . 1 70 70 ILE CA C 13 56.86 0.1 . . . . . . . 70 I CA . 52556 1 304 . 1 . 1 70 70 ILE CB C 13 36.52 0.1 . . . . . . . 70 I CB . 52556 1 305 . 1 . 1 70 70 ILE N N 15 126.03 0.1 . . . . . . . 70 I N . 52556 1 306 . 1 . 1 71 71 ASN H H 1 8.03 0.01 . . . . . . . 71 N HN . 52556 1 307 . 1 . 1 71 71 ASN C C 13 172.68 0.1 . . . . . . . 71 N C . 52556 1 308 . 1 . 1 71 71 ASN CA C 13 51.29 0.1 . . . . . . . 71 N CA . 52556 1 309 . 1 . 1 71 71 ASN CB C 13 34.11 0.1 . . . . . . . 71 N CB . 52556 1 310 . 1 . 1 71 71 ASN N N 15 112.56 0.1 . . . . . . . 71 N N . 52556 1 311 . 1 . 1 72 72 GLY H H 1 8.35 0.01 . . . . . . . 72 G HN . 52556 1 312 . 1 . 1 72 72 GLY C C 13 170.91 0.1 . . . . . . . 72 G C . 52556 1 313 . 1 . 1 72 72 GLY CA C 13 42.19 0.1 . . . . . . . 72 G CA . 52556 1 314 . 1 . 1 72 72 GLY N N 15 103.06 0.1 . . . . . . . 72 G N . 52556 1 315 . 1 . 1 73 73 ARG H H 1 7.78 0.01 . . . . . . . 73 R HN . 52556 1 316 . 1 . 1 73 73 ARG C C 13 173.82 0.1 . . . . . . . 73 R C . 52556 1 317 . 1 . 1 73 73 ARG CA C 13 51.53 0.1 . . . . . . . 73 R CA . 52556 1 318 . 1 . 1 73 73 ARG CB C 13 26.74 0.1 . . . . . . . 73 R CB . 52556 1 319 . 1 . 1 73 73 ARG N N 15 121.05 0.1 . . . . . . . 73 R N . 52556 1 320 . 1 . 1 74 74 LYS H H 1 8.76 0.01 . . . . . . . 74 K HN . 52556 1 321 . 1 . 1 74 74 LYS C C 13 173.20 0.1 . . . . . . . 74 K C . 52556 1 322 . 1 . 1 74 74 LYS CA C 13 54.82 0.1 . . . . . . . 74 K CA . 52556 1 323 . 1 . 1 74 74 LYS CB C 13 28.44 0.1 . . . . . . . 74 K CB . 52556 1 324 . 1 . 1 74 74 LYS N N 15 130.83 0.1 . . . . . . . 74 K N . 52556 1 325 . 1 . 1 75 75 GLN H H 1 8.35 0.01 . . . . . . . 75 Q HN . 52556 1 326 . 1 . 1 75 75 GLN C C 13 172.78 0.1 . . . . . . . 75 Q C . 52556 1 327 . 1 . 1 75 75 GLN CA C 13 51.29 0.1 . . . . . . . 75 Q CA . 52556 1 328 . 1 . 1 75 75 GLN CB C 13 26.54 0.1 . . . . . . . 75 Q CB . 52556 1 329 . 1 . 1 75 75 GLN N N 15 122.92 0.1 . . . . . . . 75 Q N . 52556 1 330 . 1 . 1 76 76 THR H H 1 8.33 0.01 . . . . . . . 76 T HN . 52556 1 331 . 1 . 1 76 76 THR C C 13 173.46 0.1 . . . . . . . 76 T C . 52556 1 332 . 1 . 1 76 76 THR CA C 13 53.65 0.1 . . . . . . . 76 T CA . 52556 1 333 . 1 . 1 76 76 THR CB C 13 65.25 0.1 . . . . . . . 76 T CB . 52556 1 334 . 1 . 1 76 76 THR N N 15 111.65 0.1 . . . . . . . 76 T N . 52556 1 335 . 1 . 1 77 77 ASP H H 1 7.58 0.01 . . . . . . . 77 D HN . 52556 1 336 . 1 . 1 77 77 ASP C C 13 171.85 0.1 . . . . . . . 77 D C . 52556 1 337 . 1 . 1 77 77 ASP CA C 13 50.10 0.1 . . . . . . . 77 D CA . 52556 1 338 . 1 . 1 77 77 ASP CB C 13 39.51 0.1 . . . . . . . 77 D CB . 52556 1 339 . 1 . 1 77 77 ASP N N 15 123.52 0.1 . . . . . . . 77 D N . 52556 1 340 . 1 . 1 78 78 ASN H H 1 8.27 0.01 . . . . . . . 78 N HN . 52556 1 341 . 1 . 1 78 78 ASN C C 13 171.19 0.1 . . . . . . . 78 N C . 52556 1 342 . 1 . 1 78 78 ASN CA C 13 48.57 0.1 . . . . . . . 78 N CA . 52556 1 343 . 1 . 1 78 78 ASN CB C 13 41.59 0.1 . . . . . . . 78 N CB . 52556 1 344 . 1 . 1 78 78 ASN N N 15 119.15 0.1 . . . . . . . 78 N N . 52556 1 345 . 1 . 1 79 79 LYS H H 1 9.43 0.01 . . . . . . . 79 K HN . 52556 1 346 . 1 . 1 79 79 LYS C C 13 175.48 0.1 . . . . . . . 79 K C . 52556 1 347 . 1 . 1 79 79 LYS CA C 13 53.79 0.1 . . . . . . . 79 K CA . 52556 1 348 . 1 . 1 79 79 LYS CB C 13 30.97 0.1 . . . . . . . 79 K CB . 52556 1 349 . 1 . 1 79 79 LYS N N 15 121.04 0.1 . . . . . . . 79 K N . 52556 1 350 . 1 . 1 80 80 LEU H H 1 8.95 0.01 . . . . . . . 80 L HN . 52556 1 351 . 1 . 1 80 80 LEU C C 13 175.31 0.1 . . . . . . . 80 L C . 52556 1 352 . 1 . 1 80 80 LEU CA C 13 54.76 0.1 . . . . . . . 80 L CA . 52556 1 353 . 1 . 1 80 80 LEU CB C 13 38.64 0.1 . . . . . . . 80 L CB . 52556 1 354 . 1 . 1 80 80 LEU N N 15 122.64 0.1 . . . . . . . 80 L N . 52556 1 355 . 1 . 1 81 81 ASN H H 1 8.04 0.01 . . . . . . . 81 N HN . 52556 1 356 . 1 . 1 81 81 ASN C C 13 173.19 0.1 . . . . . . . 81 N C . 52556 1 357 . 1 . 1 81 81 ASN CA C 13 53.10 0.1 . . . . . . . 81 N CA . 52556 1 358 . 1 . 1 81 81 ASN CB C 13 35.04 0.1 . . . . . . . 81 N CB . 52556 1 359 . 1 . 1 81 81 ASN N N 15 112.57 0.1 . . . . . . . 81 N N . 52556 1 360 . 1 . 1 82 82 VAL H H 1 7.49 0.01 . . . . . . . 82 V H . 52556 1 361 . 1 . 1 82 82 VAL C C 13 173.81 0.1 . . . . . . . 82 V C . 52556 1 362 . 1 . 1 82 82 VAL CA C 13 60.11 0.1 . . . . . . . 82 V CA . 52556 1 363 . 1 . 1 82 82 VAL CB C 13 28.87 0.1 . . . . . . . 82 V CB . 52556 1 364 . 1 . 1 82 82 VAL N N 15 117.80 0.1 . . . . . . . 82 V N . 52556 1 365 . 1 . 1 83 83 ALA H H 1 7.37 0.01 . . . . . . . 83 A H . 52556 1 366 . 1 . 1 83 83 ALA C C 13 174.98 0.1 . . . . . . . 83 A C . 52556 1 367 . 1 . 1 83 83 ALA CA C 13 52.78 0.1 . . . . . . . 83 A CA . 52556 1 368 . 1 . 1 83 83 ALA CB C 13 14.98 0.1 . . . . . . . 83 A CB . 52556 1 369 . 1 . 1 83 83 ALA N N 15 122.38 0.1 . . . . . . . 83 A N . 52556 1 370 . 1 . 1 84 84 TYR C C 13 174.31 0.1 . . . . . . . 84 Y C . 52556 1 371 . 1 . 1 84 84 TYR CA C 13 58.00 0.1 . . . . . . . 84 Y CA . 52556 1 372 . 1 . 1 84 84 TYR CB C 13 35.02 0.1 . . . . . . . 84 Y CB . 52556 1 373 . 1 . 1 85 85 GLU H H 1 7.42 0.01 . . . . . . . 85 E HN . 52556 1 374 . 1 . 1 85 85 GLU C C 13 176.66 0.1 . . . . . . . 85 E C . 52556 1 375 . 1 . 1 85 85 GLU CA C 13 56.14 0.1 . . . . . . . 85 E CA . 52556 1 376 . 1 . 1 85 85 GLU CB C 13 25.78 0.1 . . . . . . . 85 E CB . 52556 1 377 . 1 . 1 85 85 GLU N N 15 118.87 0.1 . . . . . . . 85 E N . 52556 1 378 . 1 . 1 86 86 LEU H H 1 8.18 0.01 . . . . . . . 86 L HN . 52556 1 379 . 1 . 1 86 86 LEU C C 13 177.75 0.1 . . . . . . . 86 L C . 52556 1 380 . 1 . 1 86 86 LEU CA C 13 54.64 0.1 . . . . . . . 86 L CA . 52556 1 381 . 1 . 1 86 86 LEU CB C 13 37.73 0.1 . . . . . . . 86 L CB . 52556 1 382 . 1 . 1 86 86 LEU N N 15 119.71 0.1 . . . . . . . 86 L N . 52556 1 383 . 1 . 1 87 87 GLY H H 1 7.90 0.01 . . . . . . . 87 G HN . 52556 1 384 . 1 . 1 87 87 GLY C C 13 174.30 0.1 . . . . . . . 87 G C . 52556 1 385 . 1 . 1 87 87 GLY CA C 13 44.03 0.1 . . . . . . . 87 G CA . 52556 1 386 . 1 . 1 87 87 GLY N N 15 106.39 0.1 . . . . . . . 87 G N . 52556 1 387 . 1 . 1 88 88 GLU H H 1 8.43 0.01 . . . . . . . 88 E HN . 52556 1 388 . 1 . 1 88 88 GLU C C 13 177.11 0.1 . . . . . . . 88 E C . 52556 1 389 . 1 . 1 88 88 GLU CA C 13 56.03 0.1 . . . . . . . 88 E CA . 52556 1 390 . 1 . 1 88 88 GLU CB C 13 25.66 0.1 . . . . . . . 88 E CB . 52556 1 391 . 1 . 1 88 88 GLU N N 15 123.74 0.1 . . . . . . . 88 E N . 52556 1 392 . 1 . 1 89 89 GLN H H 1 7.92 0.01 . . . . . . . 89 Q HN . 52556 1 393 . 1 . 1 89 89 GLN C C 13 175.15 0.1 . . . . . . . 89 Q C . 52556 1 394 . 1 . 1 89 89 GLN CA C 13 55.22 0.1 . . . . . . . 89 Q CA . 52556 1 395 . 1 . 1 89 89 GLN CB C 13 24.81 0.1 . . . . . . . 89 Q CB . 52556 1 396 . 1 . 1 89 89 GLN N N 15 120.04 0.1 . . . . . . . 89 Q N . 52556 1 397 . 1 . 1 90 90 GLU H H 1 7.52 0.01 . . . . . . . 90 E HN . 52556 1 398 . 1 . 1 90 90 GLU C C 13 174.11 0.1 . . . . . . . 90 E C . 52556 1 399 . 1 . 1 90 90 GLU CA C 13 54.83 0.1 . . . . . . . 90 E CA . 52556 1 400 . 1 . 1 90 90 GLU CB C 13 26.38 0.1 . . . . . . . 90 E CB . 52556 1 401 . 1 . 1 90 90 GLU N N 15 119.35 0.1 . . . . . . . 90 E N . 52556 1 402 . 1 . 1 91 91 GLY H H 1 7.27 0.01 . . . . . . . 91 G HN . 52556 1 403 . 1 . 1 91 91 GLY C C 13 170.34 0.1 . . . . . . . 91 G C . 52556 1 404 . 1 . 1 91 91 GLY CA C 13 43.31 0.1 . . . . . . . 91 G CA . 52556 1 405 . 1 . 1 91 91 GLY N N 15 106.82 0.1 . . . . . . . 91 G N . 52556 1 406 . 1 . 1 92 92 GLN H H 1 8.57 0.01 . . . . . . . 92 Q HN . 52556 1 407 . 1 . 1 92 92 GLN C C 13 171.97 0.1 . . . . . . . 92 Q C . 52556 1 408 . 1 . 1 92 92 GLN CA C 13 54.59 0.1 . . . . . . . 92 Q CA . 52556 1 409 . 1 . 1 92 92 GLN CB C 13 22.96 0.1 . . . . . . . 92 Q CB . 52556 1 410 . 1 . 1 92 92 GLN N N 15 118.18 0.1 . . . . . . . 92 Q N . 52556 1 411 . 1 . 1 93 93 LYS H H 1 6.81 0.01 . . . . . . . 93 K HN . 52556 1 412 . 1 . 1 93 93 LYS C C 13 174.55 0.1 . . . . . . . 93 K C . 52556 1 413 . 1 . 1 93 93 LYS CA C 13 52.13 0.1 . . . . . . . 93 K CA . 52556 1 414 . 1 . 1 93 93 LYS CB C 13 29.61 0.1 . . . . . . . 93 K CB . 52556 1 415 . 1 . 1 93 93 LYS N N 15 116.85 0.1 . . . . . . . 93 K N . 52556 1 416 . 1 . 1 94 94 GLY H H 1 8.27 0.01 . . . . . . . 94 G HN . 52556 1 417 . 1 . 1 94 94 GLY C C 13 172.43 0.1 . . . . . . . 94 G C . 52556 1 418 . 1 . 1 94 94 GLY CA C 13 46.51 0.1 . . . . . . . 94 G CA . 52556 1 419 . 1 . 1 94 94 GLY N N 15 111.91 0.1 . . . . . . . 94 G N . 52556 1 420 . 1 . 1 95 95 ALA H H 1 7.87 0.01 . . . . . . . 95 A HN . 52556 1 421 . 1 . 1 95 95 ALA C C 13 176.53 0.1 . . . . . . . 95 A C . 52556 1 422 . 1 . 1 95 95 ALA CA C 13 51.22 0.1 . . . . . . . 95 A CA . 52556 1 423 . 1 . 1 95 95 ALA CB C 13 15.35 0.1 . . . . . . . 95 A CB . 52556 1 424 . 1 . 1 95 95 ALA N N 15 124.11 0.1 . . . . . . . 95 A N . 52556 1 425 . 1 . 1 96 96 GLU C C 13 175.41 0.1 . . . . . . . 96 E C . 52556 1 426 . 1 . 1 96 96 GLU CA C 13 54.74 0.1 . . . . . . . 96 E CA . 52556 1 427 . 1 . 1 96 96 GLU CB C 13 24.40 0.1 . . . . . . . 96 E CB . 52556 1 428 . 1 . 1 97 97 MET H H 1 8.40 0.01 . . . . . . . 97 M HN . 52556 1 429 . 1 . 1 97 97 MET C C 13 176.47 0.1 . . . . . . . 97 M C . 52556 1 430 . 1 . 1 97 97 MET CB C 13 28.50 0.1 . . . . . . . 97 M CB . 52556 1 431 . 1 . 1 97 97 MET N N 15 119.66 0.1 . . . . . . . 97 M N . 52556 1 432 . 1 . 1 98 98 VAL H H 1 7.73 0.01 . . . . . . . 98 V HN . 52556 1 433 . 1 . 1 98 98 VAL C C 13 174.86 0.1 . . . . . . . 98 V C . 52556 1 434 . 1 . 1 98 98 VAL CA C 13 64.59 0.1 . . . . . . . 98 V CA . 52556 1 435 . 1 . 1 98 98 VAL CB C 13 27.21 0.1 . . . . . . . 98 V CB . 52556 1 436 . 1 . 1 98 98 VAL N N 15 119.51 0.1 . . . . . . . 98 V N . 52556 1 437 . 1 . 1 99 99 ARG H H 1 8.48 0.01 . . . . . . . 99 R HN . 52556 1 438 . 1 . 1 99 99 ARG C C 13 176.64 0.1 . . . . . . . 99 R C . 52556 1 439 . 1 . 1 99 99 ARG CA C 13 57.59 0.1 . . . . . . . 99 R CA . 52556 1 440 . 1 . 1 99 99 ARG CB C 13 24.81 0.1 . . . . . . . 99 R CB . 52556 1 441 . 1 . 1 99 99 ARG N N 15 121.57 0.1 . . . . . . . 99 R N . 52556 1 442 . 1 . 1 100 100 GLN H H 1 8.76 0.01 . . . . . . . 100 Q HN . 52556 1 443 . 1 . 1 100 100 GLN C C 13 175.51 0.1 . . . . . . . 100 Q C . 52556 1 444 . 1 . 1 100 100 GLN CA C 13 56.21 0.1 . . . . . . . 100 Q CA . 52556 1 445 . 1 . 1 100 100 GLN CB C 13 25.09 0.1 . . . . . . . 100 Q CB . 52556 1 446 . 1 . 1 100 100 GLN N N 15 121.39 0.1 . . . . . . . 100 Q N . 52556 1 447 . 1 . 1 101 101 VAL H H 1 8.47 0.01 . . . . . . . 101 V HN . 52556 1 448 . 1 . 1 101 101 VAL C C 13 177.97 0.1 . . . . . . . 101 V C . 52556 1 449 . 1 . 1 101 101 VAL CA C 13 63.08 0.1 . . . . . . . 101 V CA . 52556 1 450 . 1 . 1 101 101 VAL CB C 13 28.03 0.1 . . . . . . . 101 V CB . 52556 1 451 . 1 . 1 101 101 VAL N N 15 120.25 0.1 . . . . . . . 101 V N . 52556 1 452 . 1 . 1 102 102 LEU H H 1 8.91 0.01 . . . . . . . 102 L HN . 52556 1 453 . 1 . 1 102 102 LEU C C 13 177.45 0.1 . . . . . . . 102 L C . 52556 1 454 . 1 . 1 102 102 LEU CA C 13 55.72 0.1 . . . . . . . 102 L CA . 52556 1 455 . 1 . 1 102 102 LEU CB C 13 37.03 0.1 . . . . . . . 102 L CB . 52556 1 456 . 1 . 1 102 102 LEU N N 15 123.36 0.1 . . . . . . . 102 L N . 52556 1 457 . 1 . 1 103 103 LYS H H 1 8.36 0.01 . . . . . . . 103 K HN . 52556 1 458 . 1 . 1 103 103 LYS CA C 13 55.72 0.1 . . . . . . . 103 K CA . 52556 1 459 . 1 . 1 103 103 LYS CB C 13 27.57 0.1 . . . . . . . 103 K CB . 52556 1 460 . 1 . 1 103 103 LYS N N 15 124.56 0.1 . . . . . . . 103 K N . 52556 1 461 . 1 . 1 104 104 ASP H H 1 9.00 0.01 . . . . . . . 104 D HN . 52556 1 462 . 1 . 1 104 104 ASP C C 13 174.88 0.1 . . . . . . . 104 D C . 52556 1 463 . 1 . 1 104 104 ASP CA C 13 54.78 0.1 . . . . . . . 104 D CA . 52556 1 464 . 1 . 1 104 104 ASP CB C 13 37.92 0.1 . . . . . . . 104 D CB . 52556 1 465 . 1 . 1 104 104 ASP N N 15 120.42 0.1 . . . . . . . 104 D N . 52556 1 466 . 1 . 1 105 105 ASN H H 1 8.17 0.01 . . . . . . . 105 N H . 52556 1 467 . 1 . 1 105 105 ASN C C 13 171.04 0.1 . . . . . . . 105 N C . 52556 1 468 . 1 . 1 105 105 ASN CA C 13 52.06 0.1 . . . . . . . 105 N CA . 52556 1 469 . 1 . 1 105 105 ASN CB C 13 37.15 0.1 . . . . . . . 105 N CB . 52556 1 470 . 1 . 1 105 105 ASN N N 15 113.33 0.1 . . . . . . . 105 N N . 52556 1 471 . 1 . 1 106 106 PHE H H 1 7.28 0.01 . . . . . . . 106 F H . 52556 1 472 . 1 . 1 106 106 PHE C C 13 169.27 0.1 . . . . . . . 106 F C . 52556 1 473 . 1 . 1 106 106 PHE CA C 13 55.25 0.1 . . . . . . . 106 F CA . 52556 1 474 . 1 . 1 106 106 PHE CB C 13 37.13 0.1 . . . . . . . 106 F CB . 52556 1 475 . 1 . 1 106 106 PHE N N 15 113.00 0.1 . . . . . . . 106 F N . 52556 1 476 . 1 . 1 107 107 ASP H H 1 7.50 0.01 . . . . . . . 107 D HN . 52556 1 477 . 1 . 1 107 107 ASP C C 13 172.27 0.1 . . . . . . . 107 D C . 52556 1 478 . 1 . 1 107 107 ASP CA C 13 52.66 0.1 . . . . . . . 107 D CA . 52556 1 479 . 1 . 1 107 107 ASP CB C 13 37.05 0.1 . . . . . . . 107 D CB . 52556 1 480 . 1 . 1 107 107 ASP N N 15 118.12 0.1 . . . . . . . 107 D N . 52556 1 481 . 1 . 1 108 108 LEU H H 1 6.82 0.01 . . . . . . . 108 L HN . 52556 1 482 . 1 . 1 108 108 LEU C C 13 171.99 0.1 . . . . . . . 108 L C . 52556 1 483 . 1 . 1 108 108 LEU CA C 13 50.22 0.1 . . . . . . . 108 L CA . 52556 1 484 . 1 . 1 108 108 LEU CB C 13 41.60 0.1 . . . . . . . 108 L CB . 52556 1 485 . 1 . 1 108 108 LEU N N 15 117.04 0.1 . . . . . . . 108 L N . 52556 1 486 . 1 . 1 109 109 ASP H H 1 9.27 0.01 . . . . . . . 109 D HN . 52556 1 487 . 1 . 1 109 109 ASP C C 13 172.32 0.1 . . . . . . . 109 D C . 52556 1 488 . 1 . 1 109 109 ASP CA C 13 50.77 0.1 . . . . . . . 109 D CA . 52556 1 489 . 1 . 1 109 109 ASP CB C 13 39.75 0.1 . . . . . . . 109 D CB . 52556 1 490 . 1 . 1 109 109 ASP N N 15 125.22 0.1 . . . . . . . 109 D N . 52556 1 491 . 1 . 1 110 110 ILE H H 1 8.80 0.01 . . . . . . . 110 I HN . 52556 1 492 . 1 . 1 110 110 ILE C C 13 171.86 0.1 . . . . . . . 110 I C . 52556 1 493 . 1 . 1 110 110 ILE CA C 13 58.13 0.1 . . . . . . . 110 I CA . 52556 1 494 . 1 . 1 110 110 ILE CB C 13 38.24 0.1 . . . . . . . 110 I CB . 52556 1 495 . 1 . 1 110 110 ILE N N 15 127.26 0.1 . . . . . . . 110 I N . 52556 1 496 . 1 . 1 111 111 LYS H H 1 8.07 0.01 . . . . . . . 111 K HN . 52556 1 497 . 1 . 1 111 111 LYS C C 13 173.21 0.1 . . . . . . . 111 K C . 52556 1 498 . 1 . 1 111 111 LYS CA C 13 55.02 0.1 . . . . . . . 111 K CA . 52556 1 499 . 1 . 1 111 111 LYS CB C 13 32.82 0.1 . . . . . . . 111 K CB . 52556 1 500 . 1 . 1 111 111 LYS N N 15 129.95 0.1 . . . . . . . 111 K N . 52556 1 501 . 1 . 1 112 112 TYR H H 1 7.19 0.01 . . . . . . . 112 Y HN . 52556 1 502 . 1 . 1 112 112 TYR C C 13 170.66 0.1 . . . . . . . 112 Y C . 52556 1 503 . 1 . 1 112 112 TYR CA C 13 51.29 0.1 . . . . . . . 112 Y CA . 52556 1 504 . 1 . 1 112 112 TYR CB C 13 41.21 0.1 . . . . . . . 112 Y CB . 52556 1 505 . 1 . 1 112 112 TYR N N 15 113.07 0.1 . . . . . . . 112 Y N . 52556 1 506 . 1 . 1 125 125 ILE C C 13 172.51 0.1 . . . . . . . 125 I C . 52556 1 507 . 1 . 1 125 125 ILE CA C 13 62.71 0.1 . . . . . . . 125 I CA . 52556 1 508 . 1 . 1 125 125 ILE CB C 13 37.40 0.1 . . . . . . . 125 I CB . 52556 1 509 . 1 . 1 126 126 ASP H H 1 7.67 0.01 . . . . . . . 126 D HN . 52556 1 510 . 1 . 1 126 126 ASP C C 13 173.56 0.1 . . . . . . . 126 D C . 52556 1 511 . 1 . 1 126 126 ASP CA C 13 53.68 0.1 . . . . . . . 126 D CA . 52556 1 512 . 1 . 1 126 126 ASP N N 15 121.38 0.1 . . . . . . . 126 D N . 52556 1 513 . 1 . 1 130 130 PRO C C 13 174.89 0.1 . . . . . . . 130 P C . 52556 1 514 . 1 . 1 130 130 PRO CA C 13 62.23 0.1 . . . . . . . 130 P CA . 52556 1 515 . 1 . 1 130 130 PRO CB C 13 28.34 0.1 . . . . . . . 130 P CB . 52556 1 516 . 1 . 1 131 131 ASP H H 1 8.35 0.01 . . . . . . . 131 D HN . 52556 1 517 . 1 . 1 131 131 ASP C C 13 174.23 0.1 . . . . . . . 131 D C . 52556 1 518 . 1 . 1 131 131 ASP CA C 13 50.55 0.1 . . . . . . . 131 D CA . 52556 1 519 . 1 . 1 131 131 ASP CB C 13 38.56 0.1 . . . . . . . 131 D CB . 52556 1 520 . 1 . 1 131 131 ASP N N 15 115.62 0.1 . . . . . . . 131 D N . 52556 1 521 . 1 . 1 132 132 GLY H H 1 7.82 0.01 . . . . . . . 132 G HN . 52556 1 522 . 1 . 1 132 132 GLY C C 13 169.50 0.1 . . . . . . . 132 G C . 52556 1 523 . 1 . 1 132 132 GLY CA C 13 40.90 0.1 . . . . . . . 132 G CA . 52556 1 524 . 1 . 1 132 132 GLY N N 15 109.48 0.1 . . . . . . . 132 G N . 52556 1 525 . 1 . 1 133 133 VAL H H 1 8.62 0.01 . . . . . . . 133 V HN . 52556 1 526 . 1 . 1 133 133 VAL C C 13 173.57 0.1 . . . . . . . 133 V C . 52556 1 527 . 1 . 1 133 133 VAL CA C 13 57.86 0.1 . . . . . . . 133 V CA . 52556 1 528 . 1 . 1 133 133 VAL CB C 13 30.48 0.1 . . . . . . . 133 V CB . 52556 1 529 . 1 . 1 133 133 VAL N N 15 121.04 0.1 . . . . . . . 133 V N . 52556 1 530 . 1 . 1 134 134 THR H H 1 9.26 0.01 . . . . . . . 134 T HN . 52556 1 531 . 1 . 1 134 134 THR C C 13 171.96 0.1 . . . . . . . 134 T C . 52556 1 532 . 1 . 1 134 134 THR CA C 13 60.88 0.1 . . . . . . . 134 T CA . 52556 1 533 . 1 . 1 134 134 THR CB C 13 65.63 0.1 . . . . . . . 134 T CB . 52556 1 534 . 1 . 1 134 134 THR N N 15 127.02 0.1 . . . . . . . 134 T N . 52556 1 535 . 1 . 1 135 135 ILE H H 1 8.85 0.01 . . . . . . . 135 I HN . 52556 1 536 . 1 . 1 135 135 ILE C C 13 171.11 0.1 . . . . . . . 135 I C . 52556 1 537 . 1 . 1 135 135 ILE CA C 13 54.24 0.1 . . . . . . . 135 I CA . 52556 1 538 . 1 . 1 135 135 ILE CB C 13 38.02 0.1 . . . . . . . 135 I CB . 52556 1 539 . 1 . 1 135 135 ILE N N 15 130.45 0.1 . . . . . . . 135 I N . 52556 1 540 . 1 . 1 136 136 ASP H H 1 7.72 0.01 . . . . . . . 136 D HN . 52556 1 541 . 1 . 1 136 136 ASP C C 13 172.12 0.1 . . . . . . . 136 D C . 52556 1 542 . 1 . 1 136 136 ASP CA C 13 48.85 0.1 . . . . . . . 136 D CA . 52556 1 543 . 1 . 1 136 136 ASP CB C 13 36.33 0.1 . . . . . . . 136 D CB . 52556 1 544 . 1 . 1 136 136 ASP N N 15 125.11 0.1 . . . . . . . 136 D N . 52556 1 545 . 1 . 1 137 137 ALA H H 1 7.35 0.01 . . . . . . . 137 A HN . 52556 1 546 . 1 . 1 137 137 ALA C C 13 174.14 0.1 . . . . . . . 137 A C . 52556 1 547 . 1 . 1 137 137 ALA CA C 13 49.24 0.1 . . . . . . . 137 A CA . 52556 1 548 . 1 . 1 137 137 ALA CB C 13 16.11 0.1 . . . . . . . 137 A CB . 52556 1 549 . 1 . 1 137 137 ALA N N 15 129.24 0.1 . . . . . . . 137 A N . 52556 1 550 . 1 . 1 138 138 GLN H H 1 8.00 0.01 . . . . . . . 138 Q HN . 52556 1 551 . 1 . 1 138 138 GLN C C 13 170.55 0.1 . . . . . . . 138 Q C . 52556 1 552 . 1 . 1 138 138 GLN CA C 13 51.54 0.1 . . . . . . . 138 Q CA . 52556 1 553 . 1 . 1 138 138 GLN CB C 13 29.00 0.1 . . . . . . . 138 Q CB . 52556 1 554 . 1 . 1 138 138 GLN N N 15 122.60 0.1 . . . . . . . 138 Q N . 52556 1 555 . 1 . 1 139 139 PHE H H 1 7.60 0.01 . . . . . . . 139 F HN . 52556 1 556 . 1 . 1 139 139 PHE C C 13 172.39 0.1 . . . . . . . 139 F C . 52556 1 557 . 1 . 1 139 139 PHE CA C 13 52.83 0.1 . . . . . . . 139 F CA . 52556 1 558 . 1 . 1 139 139 PHE CB C 13 39.53 0.1 . . . . . . . 139 F CB . 52556 1 559 . 1 . 1 139 139 PHE N N 15 120.04 0.1 . . . . . . . 139 F N . 52556 1 560 . 1 . 1 140 140 SER H H 1 8.40 0.01 . . . . . . . 140 S HN . 52556 1 561 . 1 . 1 140 140 SER C C 13 171.94 0.1 . . . . . . . 140 S C . 52556 1 562 . 1 . 1 140 140 SER CA C 13 52.44 0.1 . . . . . . . 140 S CA . 52556 1 563 . 1 . 1 140 140 SER CB C 13 61.10 0.1 . . . . . . . 140 S CB . 52556 1 564 . 1 . 1 140 140 SER N N 15 117.02 0.1 . . . . . . . 140 S N . 52556 1 565 . 1 . 1 141 141 THR H H 1 8.46 0.01 . . . . . . . 141 T HN . 52556 1 566 . 1 . 1 141 141 THR C C 13 171.11 0.1 . . . . . . . 141 T C . 52556 1 567 . 1 . 1 141 141 THR CA C 13 57.23 0.1 . . . . . . . 141 T CA . 52556 1 568 . 1 . 1 141 141 THR CB C 13 68.68 0.1 . . . . . . . 141 T CB . 52556 1 569 . 1 . 1 141 141 THR N N 15 109.03 0.1 . . . . . . . 141 T N . 52556 1 570 . 1 . 1 142 142 LEU H H 1 8.96 0.01 . . . . . . . 142 L HN . 52556 1 571 . 1 . 1 142 142 LEU C C 13 174.85 0.1 . . . . . . . 142 L C . 52556 1 572 . 1 . 1 142 142 LEU CA C 13 51.64 0.1 . . . . . . . 142 L CA . 52556 1 573 . 1 . 1 142 142 LEU CB C 13 40.85 0.1 . . . . . . . 142 L CB . 52556 1 574 . 1 . 1 142 142 LEU N N 15 120.62 0.1 . . . . . . . 142 L N . 52556 1 575 . 1 . 1 143 143 ASN H H 1 11.05 0.01 . . . . . . . 143 N HN . 52556 1 576 . 1 . 1 143 143 ASN C C 13 173.79 0.1 . . . . . . . 143 N C . 52556 1 577 . 1 . 1 143 143 ASN CA C 13 51.35 0.1 . . . . . . . 143 N CA . 52556 1 578 . 1 . 1 143 143 ASN CB C 13 34.39 0.1 . . . . . . . 143 N CB . 52556 1 579 . 1 . 1 143 143 ASN N N 15 131.25 0.1 . . . . . . . 143 N N . 52556 1 580 . 1 . 1 144 144 GLY H H 1 9.03 0.01 . . . . . . . 144 G HN . 52556 1 581 . 1 . 1 144 144 GLY C C 13 170.80 0.1 . . . . . . . 144 G C . 52556 1 582 . 1 . 1 144 144 GLY CA C 13 42.45 0.1 . . . . . . . 144 G CA . 52556 1 583 . 1 . 1 144 144 GLY N N 15 103.13 0.1 . . . . . . . 144 G N . 52556 1 584 . 1 . 1 145 145 ARG H H 1 7.56 0.01 . . . . . . . 145 R HN . 52556 1 585 . 1 . 1 145 145 ARG C C 13 171.05 0.1 . . . . . . . 145 R C . 52556 1 586 . 1 . 1 145 145 ARG CA C 13 49.98 0.1 . . . . . . . 145 R CA . 52556 1 587 . 1 . 1 145 145 ARG CB C 13 27.49 0.1 . . . . . . . 145 R CB . 52556 1 588 . 1 . 1 145 145 ARG N N 15 121.96 0.1 . . . . . . . 145 R N . 52556 1 589 . 1 . 1 146 146 PRO C C 13 173.40 0.1 . . . . . . . 146 P C . 52556 1 590 . 1 . 1 146 146 PRO CA C 13 61.00 0.1 . . . . . . . 146 P CA . 52556 1 591 . 1 . 1 146 146 PRO CB C 13 28.66 0.1 . . . . . . . 146 P CB . 52556 1 592 . 1 . 1 147 147 LEU H H 1 8.26 0.01 . . . . . . . 147 L HN . 52556 1 593 . 1 . 1 147 147 LEU C C 13 174.49 0.1 . . . . . . . 147 L C . 52556 1 594 . 1 . 1 147 147 LEU CA C 13 51.36 0.1 . . . . . . . 147 L CA . 52556 1 595 . 1 . 1 147 147 LEU CB C 13 39.58 0.1 . . . . . . . 147 L CB . 52556 1 596 . 1 . 1 147 147 LEU N N 15 126.41 0.1 . . . . . . . 147 L N . 52556 1 597 . 1 . 1 148 148 THR H H 1 8.67 0.01 . . . . . . . 148 T HN . 52556 1 598 . 1 . 1 148 148 THR C C 13 171.71 0.1 . . . . . . . 148 T C . 52556 1 599 . 1 . 1 148 148 THR CA C 13 59.12 0.1 . . . . . . . 148 T CA . 52556 1 600 . 1 . 1 148 148 THR CB C 13 65.96 0.1 . . . . . . . 148 T CB . 52556 1 601 . 1 . 1 148 148 THR N N 15 114.17 0.1 . . . . . . . 148 T N . 52556 1 602 . 1 . 1 149 149 GLU H H 1 7.45 0.01 . . . . . . . 149 E HN . 52556 1 603 . 1 . 1 149 149 GLU C C 13 170.27 0.1 . . . . . . . 149 E C . 52556 1 604 . 1 . 1 149 149 GLU CA C 13 51.89 0.1 . . . . . . . 149 E CA . 52556 1 605 . 1 . 1 149 149 GLU CB C 13 28.35 0.1 . . . . . . . 149 E CB . 52556 1 606 . 1 . 1 149 149 GLU N N 15 119.75 0.1 . . . . . . . 149 E N . 52556 1 607 . 1 . 1 150 150 ALA H H 1 8.41 0.01 . . . . . . . 150 A HN . 52556 1 608 . 1 . 1 150 150 ALA C C 13 173.35 0.1 . . . . . . . 150 A C . 52556 1 609 . 1 . 1 150 150 ALA CA C 13 47.56 0.1 . . . . . . . 150 A CA . 52556 1 610 . 1 . 1 150 150 ALA CB C 13 17.14 0.1 . . . . . . . 150 A CB . 52556 1 611 . 1 . 1 150 150 ALA N N 15 124.47 0.1 . . . . . . . 150 A N . 52556 1 612 . 1 . 1 151 151 THR H H 1 8.43 0.01 . . . . . . . 151 T HN . 52556 1 613 . 1 . 1 151 151 THR C C 13 171.38 0.1 . . . . . . . 151 T C . 52556 1 614 . 1 . 1 151 151 THR CA C 13 59.38 0.1 . . . . . . . 151 T CA . 52556 1 615 . 1 . 1 151 151 THR CB C 13 66.08 0.1 . . . . . . . 151 T CB . 52556 1 616 . 1 . 1 151 151 THR N N 15 119.24 0.1 . . . . . . . 151 T N . 52556 1 617 . 1 . 1 152 152 VAL H H 1 8.54 0.01 . . . . . . . 152 V HN . 52556 1 618 . 1 . 1 152 152 VAL C C 13 172.54 0.1 . . . . . . . 152 V C . 52556 1 619 . 1 . 1 152 152 VAL CA C 13 57.09 0.1 . . . . . . . 152 V CA . 52556 1 620 . 1 . 1 152 152 VAL CB C 13 30.42 0.1 . . . . . . . 152 V CB . 52556 1 621 . 1 . 1 152 152 VAL N N 15 121.53 0.1 . . . . . . . 152 V N . 52556 1 622 . 1 . 1 153 153 GLY H H 1 8.29 0.01 . . . . . . . 153 G HN . 52556 1 623 . 1 . 1 153 153 GLY C C 13 170.53 0.1 . . . . . . . 153 G C . 52556 1 624 . 1 . 1 153 153 GLY CA C 13 42.02 0.1 . . . . . . . 153 G CA . 52556 1 625 . 1 . 1 153 153 GLY N N 15 110.05 0.1 . . . . . . . 153 G N . 52556 1 626 . 1 . 1 154 154 ASP H H 1 8.14 0.01 . . . . . . . 154 D HN . 52556 1 627 . 1 . 1 154 154 ASP C C 13 173.26 0.1 . . . . . . . 154 D C . 52556 1 628 . 1 . 1 154 154 ASP CA C 13 50.93 0.1 . . . . . . . 154 D CA . 52556 1 629 . 1 . 1 154 154 ASP CB C 13 38.56 0.1 . . . . . . . 154 D CB . 52556 1 630 . 1 . 1 154 154 ASP N N 15 120.85 0.1 . . . . . . . 154 D N . 52556 1 631 . 1 . 1 155 155 ASP H H 1 8.20 0.01 . . . . . . . 155 D HN . 52556 1 632 . 1 . 1 155 155 ASP C C 13 173.92 0.1 . . . . . . . 155 D C . 52556 1 633 . 1 . 1 155 155 ASP CA C 13 51.56 0.1 . . . . . . . 155 D CA . 52556 1 634 . 1 . 1 155 155 ASP CB C 13 38.17 0.1 . . . . . . . 155 D CB . 52556 1 635 . 1 . 1 155 155 ASP N N 15 121.00 0.1 . . . . . . . 155 D N . 52556 1 636 . 1 . 1 156 156 LEU H H 1 8.10 0.01 . . . . . . . 156 L HN . 52556 1 637 . 1 . 1 156 156 LEU C C 13 174.72 0.1 . . . . . . . 156 L C . 52556 1 638 . 1 . 1 156 156 LEU CA C 13 53.18 0.1 . . . . . . . 156 L CA . 52556 1 639 . 1 . 1 156 156 LEU CB C 13 38.52 0.1 . . . . . . . 156 L CB . 52556 1 640 . 1 . 1 156 156 LEU N N 15 122.43 0.1 . . . . . . . 156 L N . 52556 1 641 . 1 . 1 157 157 TYR H H 1 7.93 0.01 . . . . . . . 157 Y HN . 52556 1 642 . 1 . 1 157 157 TYR C C 13 173.01 0.1 . . . . . . . 157 Y C . 52556 1 643 . 1 . 1 157 157 TYR CA C 13 54.61 0.1 . . . . . . . 157 Y CA . 52556 1 644 . 1 . 1 157 157 TYR CB C 13 35.11 0.1 . . . . . . . 157 Y CB . 52556 1 645 . 1 . 1 157 157 TYR N N 15 118.57 0.1 . . . . . . . 157 Y N . 52556 1 646 . 1 . 1 158 158 ALA H H 1 7.77 0.01 . . . . . . . 158 A HN . 52556 1 647 . 1 . 1 158 158 ALA C C 13 175.06 0.1 . . . . . . . 158 A C . 52556 1 648 . 1 . 1 158 158 ALA CA C 13 49.73 0.1 . . . . . . . 158 A CA . 52556 1 649 . 1 . 1 158 158 ALA CB C 13 15.89 0.1 . . . . . . . 158 A CB . 52556 1 650 . 1 . 1 158 158 ALA N N 15 124.51 0.1 . . . . . . . 158 A N . 52556 1 651 . 1 . 1 159 159 THR H H 1 8.05 0.01 . . . . . . . 159 T HN . 52556 1 652 . 1 . 1 159 159 THR C C 13 172.36 0.1 . . . . . . . 159 T C . 52556 1 653 . 1 . 1 159 159 THR CA C 13 58.83 0.1 . . . . . . . 159 T CA . 52556 1 654 . 1 . 1 159 159 THR CB C 13 66.96 0.1 . . . . . . . 159 T CB . 52556 1 655 . 1 . 1 159 159 THR N N 15 112.75 0.1 . . . . . . . 159 T N . 52556 1 656 . 1 . 1 160 160 GLU H H 1 8.38 0.01 . . . . . . . 160 E HN . 52556 1 657 . 1 . 1 160 160 GLU C C 13 174.10 0.1 . . . . . . . 160 E C . 52556 1 658 . 1 . 1 160 160 GLU CA C 13 54.29 0.1 . . . . . . . 160 E CA . 52556 1 659 . 1 . 1 160 160 GLU CB C 13 26.54 0.1 . . . . . . . 160 E CB . 52556 1 660 . 1 . 1 160 160 GLU N N 15 121.50 0.1 . . . . . . . 160 E N . 52556 1 661 . 1 . 1 161 161 THR H H 1 7.81 0.01 . . . . . . . 161 T HN . 52556 1 662 . 1 . 1 161 161 THR C C 13 171.63 0.1 . . . . . . . 161 T C . 52556 1 663 . 1 . 1 161 161 THR CA C 13 58.76 0.1 . . . . . . . 161 T CA . 52556 1 664 . 1 . 1 161 161 THR CB C 13 66.80 0.1 . . . . . . . 161 T CB . 52556 1 665 . 1 . 1 161 161 THR N N 15 112.65 0.1 . . . . . . . 161 T N . 52556 1 666 . 1 . 1 162 162 GLU H H 1 8.11 0.01 . . . . . . . 162 E HN . 52556 1 667 . 1 . 1 162 162 GLU C C 13 173.32 0.1 . . . . . . . 162 E C . 52556 1 668 . 1 . 1 162 162 GLU CB C 13 26.80 0.1 . . . . . . . 162 E CB . 52556 1 669 . 1 . 1 162 162 GLU N N 15 122.27 0.1 . . . . . . . 162 E N . 52556 1 670 . 1 . 1 163 163 SER H H 1 8.16 0.01 . . . . . . . 163 S HN . 52556 1 671 . 1 . 1 163 163 SER C C 13 170.00 0.1 . . . . . . . 163 S C . 52556 1 672 . 1 . 1 163 163 SER CA C 13 52.95 0.1 . . . . . . . 163 S CA . 52556 1 673 . 1 . 1 163 163 SER CB C 13 60.81 0.1 . . . . . . . 163 S CB . 52556 1 674 . 1 . 1 163 163 SER N N 15 117.68 0.1 . . . . . . . 163 S N . 52556 1 675 . 1 . 1 164 164 PRO C C 13 174.27 0.1 . . . . . . . 164 P C . 52556 1 676 . 1 . 1 164 164 PRO CA C 13 60.28 0.1 . . . . . . . 164 P CA . 52556 1 677 . 1 . 1 164 164 PRO CB C 13 28.65 0.1 . . . . . . . 164 P CB . 52556 1 678 . 1 . 1 165 165 THR H H 1 7.95 0.01 . . . . . . . 165 T HN . 52556 1 679 . 1 . 1 165 165 THR C C 13 171.50 0.1 . . . . . . . 165 T C . 52556 1 680 . 1 . 1 165 165 THR CA C 13 58.49 0.1 . . . . . . . 165 T CA . 52556 1 681 . 1 . 1 165 165 THR CB C 13 67.75 0.1 . . . . . . . 165 T CB . 52556 1 682 . 1 . 1 165 165 THR N N 15 113.88 0.1 . . . . . . . 165 T N . 52556 1 683 . 1 . 1 166 166 GLN H H 1 8.53 0.01 . . . . . . . 166 Q HN . 52556 1 684 . 1 . 1 166 166 GLN C C 13 171.86 0.1 . . . . . . . 166 Q C . 52556 1 685 . 1 . 1 166 166 GLN CA C 13 52.24 0.1 . . . . . . . 166 Q CA . 52556 1 686 . 1 . 1 166 166 GLN CB C 13 27.78 0.1 . . . . . . . 166 Q CB . 52556 1 687 . 1 . 1 166 166 GLN N N 15 122.55 0.1 . . . . . . . 166 Q N . 52556 1 688 . 1 . 1 167 167 THR H H 1 8.33 0.01 . . . . . . . 167 T HN . 52556 1 689 . 1 . 1 167 167 THR C C 13 171.57 0.1 . . . . . . . 167 T C . 52556 1 690 . 1 . 1 167 167 THR CA C 13 57.98 0.1 . . . . . . . 167 T CA . 52556 1 691 . 1 . 1 167 167 THR CB C 13 67.68 0.1 . . . . . . . 167 T CB . 52556 1 692 . 1 . 1 167 167 THR N N 15 118.47 0.1 . . . . . . . 167 T N . 52556 1 693 . 1 . 1 168 168 ILE H H 1 8.88 0.01 . . . . . . . 168 I HN . 52556 1 694 . 1 . 1 168 168 ILE C C 13 172.22 0.1 . . . . . . . 168 I C . 52556 1 695 . 1 . 1 168 168 ILE CA C 13 57.15 0.1 . . . . . . . 168 I CA . 52556 1 696 . 1 . 1 168 168 ILE CB C 13 37.02 0.1 . . . . . . . 168 I CB . 52556 1 697 . 1 . 1 168 168 ILE N N 15 126.33 0.1 . . . . . . . 168 I N . 52556 1 698 . 1 . 1 169 169 LYS H H 1 8.93 0.01 . . . . . . . 169 K HN . 52556 1 699 . 1 . 1 169 169 LYS C C 13 173.63 0.1 . . . . . . . 169 K C . 52556 1 700 . 1 . 1 169 169 LYS CA C 13 52.18 0.1 . . . . . . . 169 K CA . 52556 1 701 . 1 . 1 169 169 LYS CB C 13 30.31 0.1 . . . . . . . 169 K CB . 52556 1 702 . 1 . 1 169 169 LYS N N 15 127.72 0.1 . . . . . . . 169 K N . 52556 1 703 . 1 . 1 170 170 VAL H H 1 7.36 0.01 . . . . . . . 170 V HN . 52556 1 704 . 1 . 1 170 170 VAL C C 13 174.13 0.1 . . . . . . . 170 V C . 52556 1 705 . 1 . 1 170 170 VAL CA C 13 59.94 0.1 . . . . . . . 170 V CA . 52556 1 706 . 1 . 1 170 170 VAL CB C 13 29.33 0.1 . . . . . . . 170 V CB . 52556 1 707 . 1 . 1 170 170 VAL N N 15 115.06 0.1 . . . . . . . 170 V N . 52556 1 708 . 1 . 1 171 171 GLY H H 1 8.57 0.01 . . . . . . . 171 G HN . 52556 1 709 . 1 . 1 171 171 GLY C C 13 172.72 0.1 . . . . . . . 171 G C . 52556 1 710 . 1 . 1 171 171 GLY CA C 13 40.50 0.1 . . . . . . . 171 G CA . 52556 1 711 . 1 . 1 171 171 GLY N N 15 111.65 0.1 . . . . . . . 171 G N . 52556 1 712 . 1 . 1 172 172 LYS H H 1 8.27 0.01 . . . . . . . 172 K HN . 52556 1 713 . 1 . 1 172 172 LYS C C 13 174.11 0.1 . . . . . . . 172 K C . 52556 1 714 . 1 . 1 172 172 LYS CA C 13 54.92 0.1 . . . . . . . 172 K CA . 52556 1 715 . 1 . 1 172 172 LYS CB C 13 28.85 0.1 . . . . . . . 172 K CB . 52556 1 716 . 1 . 1 172 172 LYS N N 15 122.44 0.1 . . . . . . . 172 K N . 52556 1 717 . 1 . 1 173 173 GLN H H 1 8.60 0.01 . . . . . . . 173 Q HN . 52556 1 718 . 1 . 1 173 173 GLN C C 13 169.81 0.1 . . . . . . . 173 Q C . 52556 1 719 . 1 . 1 173 173 GLN CA C 13 51.20 0.1 . . . . . . . 173 Q CA . 52556 1 720 . 1 . 1 173 173 GLN CB C 13 29.80 0.1 . . . . . . . 173 Q CB . 52556 1 721 . 1 . 1 173 173 GLN N N 15 122.25 0.1 . . . . . . . 173 Q N . 52556 1 722 . 1 . 1 174 174 GLN H H 1 8.45 0.01 . . . . . . . 174 Q HN . 52556 1 723 . 1 . 1 174 174 GLN C C 13 174.00 0.1 . . . . . . . 174 Q C . 52556 1 724 . 1 . 1 174 174 GLN CA C 13 50.95 0.1 . . . . . . . 174 Q CA . 52556 1 725 . 1 . 1 174 174 GLN CB C 13 27.58 0.1 . . . . . . . 174 Q CB . 52556 1 726 . 1 . 1 174 174 GLN N N 15 117.71 0.1 . . . . . . . 174 Q N . 52556 1 727 . 1 . 1 175 175 MET H H 1 9.07 0.01 . . . . . . . 175 M HN . 52556 1 728 . 1 . 1 175 175 MET C C 13 172.06 0.1 . . . . . . . 175 M C . 52556 1 729 . 1 . 1 175 175 MET CA C 13 53.13 0.1 . . . . . . . 175 M CA . 52556 1 730 . 1 . 1 175 175 MET CB C 13 32.01 0.1 . . . . . . . 175 M CB . 52556 1 731 . 1 . 1 175 175 MET N N 15 122.68 0.1 . . . . . . . 175 M N . 52556 1 732 . 1 . 1 176 176 ASN H H 1 7.89 0.01 . . . . . . . 176 N HN . 52556 1 733 . 1 . 1 176 176 ASN C C 13 172.29 0.1 . . . . . . . 176 N C . 52556 1 734 . 1 . 1 176 176 ASN CA C 13 47.74 0.1 . . . . . . . 176 N CA . 52556 1 735 . 1 . 1 176 176 ASN CB C 13 34.94 0.1 . . . . . . . 176 N CB . 52556 1 736 . 1 . 1 176 176 ASN N N 15 120.14 0.1 . . . . . . . 176 N N . 52556 1 737 . 1 . 1 177 177 GLY H H 1 10.01 0.01 . . . . . . . 177 G HN . 52556 1 738 . 1 . 1 177 177 GLY C C 13 172.64 0.1 . . . . . . . 177 G C . 52556 1 739 . 1 . 1 177 177 GLY CA C 13 45.55 0.1 . . . . . . . 177 G CA . 52556 1 740 . 1 . 1 177 177 GLY N N 15 108.21 0.1 . . . . . . . 177 G N . 52556 1 741 . 1 . 1 178 178 SER H H 1 8.91 0.01 . . . . . . . 178 S HN . 52556 1 742 . 1 . 1 178 178 SER C C 13 174.30 0.1 . . . . . . . 178 S C . 52556 1 743 . 1 . 1 178 178 SER CA C 13 58.68 0.1 . . . . . . . 178 S CA . 52556 1 744 . 1 . 1 178 178 SER CB C 13 59.87 0.1 . . . . . . . 178 S CB . 52556 1 745 . 1 . 1 178 178 SER N N 15 116.30 0.1 . . . . . . . 178 S N . 52556 1 746 . 1 . 1 179 179 THR H H 1 8.05 0.01 . . . . . . . 179 T HN . 52556 1 747 . 1 . 1 179 179 THR C C 13 172.75 0.1 . . . . . . . 179 T C . 52556 1 748 . 1 . 1 179 179 THR CA C 13 64.29 0.1 . . . . . . . 179 T CA . 52556 1 749 . 1 . 1 179 179 THR CB C 13 65.41 0.1 . . . . . . . 179 T CB . 52556 1 750 . 1 . 1 179 179 THR N N 15 120.35 0.1 . . . . . . . 179 T N . 52556 1 751 . 1 . 1 180 180 LEU H H 1 8.80 0.01 . . . . . . . 180 L HN . 52556 1 752 . 1 . 1 180 180 LEU C C 13 176.11 0.1 . . . . . . . 180 L C . 52556 1 753 . 1 . 1 180 180 LEU CA C 13 55.04 0.1 . . . . . . . 180 L CA . 52556 1 754 . 1 . 1 180 180 LEU CB C 13 39.16 0.1 . . . . . . . 180 L CB . 52556 1 755 . 1 . 1 180 180 LEU N N 15 122.73 0.1 . . . . . . . 180 L N . 52556 1 756 . 1 . 1 181 181 LEU H H 1 7.71 0.01 . . . . . . . 181 L HN . 52556 1 757 . 1 . 1 181 181 LEU C C 13 175.71 0.1 . . . . . . . 181 L C . 52556 1 758 . 1 . 1 181 181 LEU CA C 13 54.60 0.1 . . . . . . . 181 L CA . 52556 1 759 . 1 . 1 181 181 LEU CB C 13 37.82 0.1 . . . . . . . 181 L CB . 52556 1 760 . 1 . 1 181 181 LEU N N 15 117.43 0.1 . . . . . . . 181 L N . 52556 1 761 . 1 . 1 182 182 ASN H H 1 7.77 0.01 . . . . . . . 182 N HN . 52556 1 762 . 1 . 1 182 182 ASN C C 13 175.49 0.1 . . . . . . . 182 N C . 52556 1 763 . 1 . 1 182 182 ASN CA C 13 52.79 0.1 . . . . . . . 182 N CA . 52556 1 764 . 1 . 1 182 182 ASN CB C 13 34.48 0.1 . . . . . . . 182 N CB . 52556 1 765 . 1 . 1 182 182 ASN N N 15 117.51 0.1 . . . . . . . 182 N N . 52556 1 766 . 1 . 1 183 183 TYR H H 1 8.98 0.01 . . . . . . . 183 Y HN . 52556 1 767 . 1 . 1 183 183 TYR C C 13 173.29 0.1 . . . . . . . 183 Y C . 52556 1 768 . 1 . 1 183 183 TYR CA C 13 58.93 0.1 . . . . . . . 183 Y CA . 52556 1 769 . 1 . 1 183 183 TYR CB C 13 35.17 0.1 . . . . . . . 183 Y CB . 52556 1 770 . 1 . 1 183 183 TYR N N 15 122.43 0.1 . . . . . . . 183 Y N . 52556 1 771 . 1 . 1 184 184 ALA H H 1 7.99 0.01 . . . . . . . 184 A HN . 52556 1 772 . 1 . 1 184 184 ALA C C 13 173.65 0.1 . . . . . . . 184 A C . 52556 1 773 . 1 . 1 184 184 ALA CA C 13 50.75 0.1 . . . . . . . 184 A CA . 52556 1 774 . 1 . 1 184 184 ALA CB C 13 15.06 0.1 . . . . . . . 184 A CB . 52556 1 775 . 1 . 1 184 184 ALA N N 15 118.32 0.1 . . . . . . . 184 A N . 52556 1 776 . 1 . 1 185 185 ARG C C 13 170.65 0.1 . . . . . . . 185 R C . 52556 1 777 . 1 . 1 185 185 ARG CA C 13 50.99 0.1 . . . . . . . 185 R CA . 52556 1 778 . 1 . 1 186 186 PHE H H 1 8.45 0.01 . . . . . . . 186 F HN . 52556 1 779 . 1 . 1 186 186 PHE C C 13 171.22 0.1 . . . . . . . 186 F C . 52556 1 780 . 1 . 1 186 186 PHE CA C 13 51.81 0.1 . . . . . . . 186 F CA . 52556 1 781 . 1 . 1 186 186 PHE CB C 13 39.56 0.1 . . . . . . . 186 F CB . 52556 1 782 . 1 . 1 186 186 PHE N N 15 117.04 0.1 . . . . . . . 186 F N . 52556 1 783 . 1 . 1 187 187 ARG H H 1 9.22 0.01 . . . . . . . 187 R HN . 52556 1 784 . 1 . 1 187 187 ARG CA C 13 49.21 0.1 . . . . . . . 187 R CA . 52556 1 785 . 1 . 1 187 187 ARG N N 15 123.99 0.1 . . . . . . . 187 R N . 52556 1 786 . 1 . 1 188 188 ASP C C 13 173.15 0.1 . . . . . . . 188 D C . 52556 1 787 . 1 . 1 188 188 ASP CA C 13 54.77 0.1 . . . . . . . 188 D CA . 52556 1 788 . 1 . 1 188 188 ASP CB C 13 37.52 0.1 . . . . . . . 188 D CB . 52556 1 789 . 1 . 1 189 189 ASP H H 1 7.37 0.01 . . . . . . . 189 D HN . 52556 1 790 . 1 . 1 189 189 ASP C C 13 175.87 0.1 . . . . . . . 189 D C . 52556 1 791 . 1 . 1 189 189 ASP CA C 13 50.24 0.1 . . . . . . . 189 D CA . 52556 1 792 . 1 . 1 189 189 ASP CB C 13 39.81 0.1 . . . . . . . 189 D CB . 52556 1 793 . 1 . 1 189 189 ASP N N 15 117.27 0.1 . . . . . . . 189 D N . 52556 1 794 . 1 . 1 190 190 ASP H H 1 9.49 0.01 . . . . . . . 190 D HN . 52556 1 795 . 1 . 1 190 190 ASP C C 13 175.53 0.1 . . . . . . . 190 D C . 52556 1 796 . 1 . 1 190 190 ASP CA C 13 54.27 0.1 . . . . . . . 190 D CA . 52556 1 797 . 1 . 1 190 190 ASP CB C 13 37.54 0.1 . . . . . . . 190 D CB . 52556 1 798 . 1 . 1 190 190 ASP N N 15 116.73 0.1 . . . . . . . 190 D N . 52556 1 799 . 1 . 1 191 191 GLU H H 1 8.68 0.01 . . . . . . . 191 E HN . 52556 1 800 . 1 . 1 191 191 GLU C C 13 174.62 0.1 . . . . . . . 191 E C . 52556 1 801 . 1 . 1 191 191 GLU CA C 13 54.20 0.1 . . . . . . . 191 E CA . 52556 1 802 . 1 . 1 191 191 GLU CB C 13 27.15 0.1 . . . . . . . 191 E CB . 52556 1 803 . 1 . 1 191 191 GLU N N 15 118.50 0.1 . . . . . . . 191 E N . 52556 1 804 . 1 . 1 192 192 ALA H H 1 8.24 0.01 . . . . . . . 192 A HN . 52556 1 805 . 1 . 1 192 192 ALA C C 13 175.74 0.1 . . . . . . . 192 A C . 52556 1 806 . 1 . 1 192 192 ALA CA C 13 50.33 0.1 . . . . . . . 192 A CA . 52556 1 807 . 1 . 1 192 192 ALA CB C 13 14.99 0.1 . . . . . . . 192 A CB . 52556 1 808 . 1 . 1 192 192 ALA N N 15 125.79 0.1 . . . . . . . 192 A N . 52556 1 809 . 1 . 1 193 193 ASP H H 1 8.47 0.01 . . . . . . . 193 D H . 52556 1 810 . 1 . 1 193 193 ASP C C 13 175.38 0.1 . . . . . . . 193 D C . 52556 1 811 . 1 . 1 193 193 ASP CA C 13 59.67 0.1 . . . . . . . 193 D CA . 52556 1 812 . 1 . 1 193 193 ASP CB C 13 38.79 0.1 . . . . . . . 193 D CB . 52556 1 813 . 1 . 1 193 193 ASP N N 15 123.13 0.1 . . . . . . . 193 D N . 52556 1 814 . 1 . 1 194 194 TYR C C 13 175.64 0.1 . . . . . . . 194 Y C . 52556 1 815 . 1 . 1 194 194 TYR CA C 13 59.75 0.1 . . . . . . . 194 Y CA . 52556 1 816 . 1 . 1 195 195 GLY H H 1 7.42 0.01 . . . . . . . 195 G HN . 52556 1 817 . 1 . 1 195 195 GLY C C 13 172.06 0.1 . . . . . . . 195 G C . 52556 1 818 . 1 . 1 195 195 GLY CA C 13 44.43 0.1 . . . . . . . 195 G CA . 52556 1 819 . 1 . 1 195 195 GLY N N 15 109.07 0.1 . . . . . . . 195 G N . 52556 1 820 . 1 . 1 196 196 ARG H H 1 8.19 0.01 . . . . . . . 196 R HN . 52556 1 821 . 1 . 1 196 196 ARG CA C 13 53.34 0.1 . . . . . . . 196 R CA . 52556 1 822 . 1 . 1 196 196 ARG CB C 13 27.38 0.1 . . . . . . . 196 R CB . 52556 1 823 . 1 . 1 196 196 ARG N N 15 120.45 0.1 . . . . . . . 196 R N . 52556 1 824 . 1 . 1 201 201 GLN C C 13 176.21 0.1 . . . . . . . 201 Q C . 52556 1 825 . 1 . 1 201 201 GLN CA C 13 57.48 0.1 . . . . . . . 201 Q CA . 52556 1 826 . 1 . 1 202 202 GLN H H 1 8.50 0.01 . . . . . . . 202 Q HN . 52556 1 827 . 1 . 1 202 202 GLN C C 13 173.29 0.1 . . . . . . . 202 Q C . 52556 1 828 . 1 . 1 202 202 GLN CA C 13 56.96 0.1 . . . . . . . 202 Q CA . 52556 1 829 . 1 . 1 202 202 GLN CB C 13 24.53 0.1 . . . . . . . 202 Q CB . 52556 1 830 . 1 . 1 202 202 GLN N N 15 120.47 0.1 . . . . . . . 202 Q N . 52556 1 831 . 1 . 1 204 204 LEU C C 13 174.32 0.1 . . . . . . . 204 L C . 52556 1 832 . 1 . 1 204 204 LEU CA C 13 58.43 0.1 . . . . . . . 204 L CA . 52556 1 833 . 1 . 1 204 204 LEU CB C 13 41.97 0.1 . . . . . . . 204 L CB . 52556 1 834 . 1 . 1 205 205 THR H H 1 7.67 0.01 . . . . . . . 205 T HN . 52556 1 835 . 1 . 1 205 205 THR C C 13 172.41 0.1 . . . . . . . 205 T C . 52556 1 836 . 1 . 1 205 205 THR CA C 13 64.03 0.1 . . . . . . . 205 T CA . 52556 1 837 . 1 . 1 205 205 THR CB C 13 65.29 0.1 . . . . . . . 205 T CB . 52556 1 838 . 1 . 1 205 205 THR N N 15 120.31 0.1 . . . . . . . 205 T N . 52556 1 839 . 1 . 1 206 206 ALA H H 1 7.91 0.01 . . . . . . . 206 A HN . 52556 1 840 . 1 . 1 206 206 ALA C C 13 176.75 0.1 . . . . . . . 206 A C . 52556 1 841 . 1 . 1 206 206 ALA CA C 13 52.18 0.1 . . . . . . . 206 A CA . 52556 1 842 . 1 . 1 206 206 ALA CB C 13 15.56 0.1 . . . . . . . 206 A CB . 52556 1 843 . 1 . 1 206 206 ALA N N 15 123.72 0.1 . . . . . . . 206 A N . 52556 1 844 . 1 . 1 207 207 ILE H H 1 7.68 0.01 . . . . . . . 207 I HN . 52556 1 845 . 1 . 1 207 207 ILE C C 13 174.57 0.1 . . . . . . . 207 I C . 52556 1 846 . 1 . 1 207 207 ILE CA C 13 62.48 0.1 . . . . . . . 207 I CA . 52556 1 847 . 1 . 1 207 207 ILE CB C 13 34.95 0.1 . . . . . . . 207 I CB . 52556 1 848 . 1 . 1 207 207 ILE N N 15 116.10 0.1 . . . . . . . 207 I N . 52556 1 849 . 1 . 1 208 208 LEU C C 13 176.27 0.1 . . . . . . . 208 L C . 52556 1 850 . 1 . 1 208 208 LEU CA C 13 54.63 0.1 . . . . . . . 208 L CA . 52556 1 851 . 1 . 1 209 209 GLU H H 1 8.30 0.01 . . . . . . . 209 E HN . 52556 1 852 . 1 . 1 209 209 GLU C C 13 173.44 0.1 . . . . . . . 209 E C . 52556 1 853 . 1 . 1 209 209 GLU CA C 13 55.79 0.1 . . . . . . . 209 E CA . 52556 1 854 . 1 . 1 209 209 GLU CB C 13 27.25 0.1 . . . . . . . 209 E CB . 52556 1 855 . 1 . 1 209 209 GLU N N 15 115.98 0.1 . . . . . . . 209 E N . 52556 1 856 . 1 . 1 210 210 GLN C C 13 174.14 0.1 . . . . . . . 210 Q C . 52556 1 857 . 1 . 1 210 210 GLN CA C 13 53.60 0.1 . . . . . . . 210 Q CA . 52556 1 858 . 1 . 1 210 210 GLN CB C 13 28.30 0.1 . . . . . . . 210 Q CB . 52556 1 859 . 1 . 1 211 211 ILE H H 1 7.26 0.01 . . . . . . . 211 I HN . 52556 1 860 . 1 . 1 211 211 ILE C C 13 173.43 0.1 . . . . . . . 211 I C . 52556 1 861 . 1 . 1 211 211 ILE CA C 13 56.63 0.1 . . . . . . . 211 I CA . 52556 1 862 . 1 . 1 211 211 ILE CB C 13 35.91 0.1 . . . . . . . 211 I CB . 52556 1 863 . 1 . 1 211 211 ILE N N 15 122.68 0.1 . . . . . . . 211 I N . 52556 1 864 . 1 . 1 212 212 LYS H H 1 8.48 0.01 . . . . . . . 212 K HN . 52556 1 865 . 1 . 1 212 212 LYS C C 13 172.36 0.1 . . . . . . . 212 K C . 52556 1 866 . 1 . 1 212 212 LYS CA C 13 51.63 0.1 . . . . . . . 212 K CA . 52556 1 867 . 1 . 1 212 212 LYS CB C 13 27.46 0.1 . . . . . . . 212 K CB . 52556 1 868 . 1 . 1 212 212 LYS N N 15 123.59 0.1 . . . . . . . 212 K N . 52556 1 869 . 1 . 1 214 214 PRO C C 13 174.85 0.1 . . . . . . . 214 P C . 52556 1 870 . 1 . 1 214 214 PRO CA C 13 61.32 0.1 . . . . . . . 214 P CA . 52556 1 871 . 1 . 1 214 214 PRO CB C 13 28.59 0.1 . . . . . . . 214 P CB . 52556 1 872 . 1 . 1 215 215 THR H H 1 8.09 0.01 . . . . . . . 215 T HN . 52556 1 873 . 1 . 1 215 215 THR C C 13 173.83 0.1 . . . . . . . 215 T C . 52556 1 874 . 1 . 1 215 215 THR CA C 13 62.04 0.1 . . . . . . . 215 T CA . 52556 1 875 . 1 . 1 215 215 THR CB C 13 65.73 0.1 . . . . . . . 215 T CB . 52556 1 876 . 1 . 1 215 215 THR N N 15 110.65 0.1 . . . . . . . 215 T N . 52556 1 877 . 1 . 1 219 219 THR C C 13 172.72 0.1 . . . . . . . 219 T C . 52556 1 878 . 1 . 1 219 219 THR CA C 13 59.36 0.1 . . . . . . . 219 T CA . 52556 1 879 . 1 . 1 219 219 THR CB C 13 66.25 0.1 . . . . . . . 219 T CB . 52556 1 880 . 1 . 1 220 220 GLY H H 1 7.99 0.01 . . . . . . . 220 G HN . 52556 1 881 . 1 . 1 220 220 GLY CA C 13 42.68 0.1 . . . . . . . 220 G CA . 52556 1 882 . 1 . 1 220 220 GLY N N 15 110.94 0.1 . . . . . . . 220 G N . 52556 1 883 . 1 . 1 223 223 ALA C C 13 174.22 0.1 . . . . . . . 223 A C . 52556 1 884 . 1 . 1 223 223 ALA CA C 13 49.25 0.1 . . . . . . . 223 A CA . 52556 1 885 . 1 . 1 223 223 ALA CB C 13 15.90 0.1 . . . . . . . 223 A CB . 52556 1 886 . 1 . 1 224 224 LEU H H 1 7.84 0.01 . . . . . . . 224 L HN . 52556 1 887 . 1 . 1 224 224 LEU C C 13 175.90 0.1 . . . . . . . 224 L C . 52556 1 888 . 1 . 1 224 224 LEU CA C 13 53.93 0.1 . . . . . . . 224 L CA . 52556 1 889 . 1 . 1 224 224 LEU CB C 13 37.78 0.1 . . . . . . . 224 L CB . 52556 1 890 . 1 . 1 224 224 LEU N N 15 125.69 0.1 . . . . . . . 224 L N . 52556 1 891 . 1 . 1 225 225 GLY H H 1 8.07 0.01 . . . . . . . 225 G HN . 52556 1 892 . 1 . 1 225 225 GLY C C 13 173.89 0.1 . . . . . . . 225 G C . 52556 1 893 . 1 . 1 225 225 GLY CA C 13 44.11 0.1 . . . . . . . 225 G CA . 52556 1 894 . 1 . 1 225 225 GLY N N 15 106.84 0.1 . . . . . . . 225 G N . 52556 1 895 . 1 . 1 230 230 MET C C 13 173.02 0.1 . . . . . . . 230 M C . 52556 1 896 . 1 . 1 230 230 MET CA C 13 61.42 0.1 . . . . . . . 230 M CA . 52556 1 897 . 1 . 1 230 230 MET CB C 13 28.62 0.1 . . . . . . . 230 M CB . 52556 1 898 . 1 . 1 231 231 THR H H 1 8.06 0.01 . . . . . . . 231 T HN . 52556 1 899 . 1 . 1 231 231 THR C C 13 173.83 0.1 . . . . . . . 231 T C . 52556 1 900 . 1 . 1 231 231 THR CA C 13 62.35 0.1 . . . . . . . 231 T CA . 52556 1 901 . 1 . 1 231 231 THR CB C 13 64.86 0.1 . . . . . . . 231 T CB . 52556 1 902 . 1 . 1 231 231 THR N N 15 110.94 0.1 . . . . . . . 231 T N . 52556 1 903 . 1 . 1 232 232 SER H H 1 7.46 0.01 . . . . . . . 232 S HN . 52556 1 904 . 1 . 1 232 232 SER C C 13 174.91 0.1 . . . . . . . 232 S C . 52556 1 905 . 1 . 1 232 232 SER CA C 13 54.32 0.1 . . . . . . . 232 S CA . 52556 1 906 . 1 . 1 232 232 SER N N 15 120.82 0.1 . . . . . . . 232 S N . 52556 1 907 . 1 . 1 233 233 THR H H 1 7.50 0.01 . . . . . . . 233 T HN . 52556 1 908 . 1 . 1 233 233 THR CA C 13 62.61 0.1 . . . . . . . 233 T CA . 52556 1 909 . 1 . 1 233 233 THR CB C 13 66.04 0.1 . . . . . . . 233 T CB . 52556 1 910 . 1 . 1 233 233 THR N N 15 115.05 0.1 . . . . . . . 233 T N . 52556 1 911 . 1 . 1 236 236 PRO C C 13 173.94 0.1 . . . . . . . 236 P C . 52556 1 912 . 1 . 1 236 236 PRO CA C 13 64.12 0.1 . . . . . . . 236 P CA . 52556 1 913 . 1 . 1 236 236 PRO CB C 13 28.19 0.1 . . . . . . . 236 P CB . 52556 1 914 . 1 . 1 237 237 TYR H H 1 7.64 0.01 . . . . . . . 237 Y HN . 52556 1 915 . 1 . 1 237 237 TYR C C 13 175.35 0.1 . . . . . . . 237 Y C . 52556 1 916 . 1 . 1 237 237 TYR CA C 13 56.04 0.1 . . . . . . . 237 Y CA . 52556 1 917 . 1 . 1 237 237 TYR CB C 13 37.80 0.1 . . . . . . . 237 Y CB . 52556 1 918 . 1 . 1 237 237 TYR N N 15 118.84 0.1 . . . . . . . 237 Y N . 52556 1 919 . 1 . 1 238 238 THR H H 1 8.02 0.01 . . . . . . . 238 T HN . 52556 1 920 . 1 . 1 238 238 THR CA C 13 64.31 0.1 . . . . . . . 238 T CA . 52556 1 921 . 1 . 1 238 238 THR N N 15 111.65 0.1 . . . . . . . 238 T N . 52556 1 922 . 1 . 1 243 243 ASN C C 13 173.13 0.1 . . . . . . . 243 N C . 52556 1 923 . 1 . 1 243 243 ASN CA C 13 51.27 0.1 . . . . . . . 243 N CA . 52556 1 924 . 1 . 1 243 243 ASN CB C 13 35.95 0.1 . . . . . . . 243 N CB . 52556 1 925 . 1 . 1 244 244 GLY H H 1 7.96 0.01 . . . . . . . 244 G HN . 52556 1 926 . 1 . 1 244 244 GLY C C 13 171.84 0.1 . . . . . . . 244 G C . 52556 1 927 . 1 . 1 244 244 GLY CA C 13 44.52 0.1 . . . . . . . 244 G CA . 52556 1 928 . 1 . 1 244 244 GLY N N 15 109.66 0.1 . . . . . . . 244 G N . 52556 1 929 . 1 . 1 245 245 LEU H H 1 8.01 0.01 . . . . . . . 245 L HN . 52556 1 930 . 1 . 1 245 245 LEU C C 13 177.26 0.1 . . . . . . . 245 L C . 52556 1 931 . 1 . 1 245 245 LEU CA C 13 51.63 0.1 . . . . . . . 245 L CA . 52556 1 932 . 1 . 1 245 245 LEU CB C 13 37.69 0.1 . . . . . . . 245 L CB . 52556 1 933 . 1 . 1 245 245 LEU N N 15 120.51 0.1 . . . . . . . 245 L N . 52556 1 934 . 1 . 1 246 246 SER H H 1 8.09 0.01 . . . . . . . 246 S HN . 52556 1 935 . 1 . 1 246 246 SER C C 13 174.71 0.1 . . . . . . . 246 S C . 52556 1 936 . 1 . 1 246 246 SER CA C 13 59.41 0.1 . . . . . . . 246 S CA . 52556 1 937 . 1 . 1 246 246 SER N N 15 118.84 0.1 . . . . . . . 246 S N . 52556 1 938 . 1 . 1 249 249 ASP C C 13 175.86 0.1 . . . . . . . 249 D C . 52556 1 939 . 1 . 1 249 249 ASP CA C 13 53.90 0.1 . . . . . . . 249 D CA . 52556 1 940 . 1 . 1 249 249 ASP CB C 13 37.62 0.1 . . . . . . . 249 D CB . 52556 1 941 . 1 . 1 250 250 GLY H H 1 7.90 0.01 . . . . . . . 250 G HN . 52556 1 942 . 1 . 1 250 250 GLY C C 13 174.27 0.1 . . . . . . . 250 G C . 52556 1 943 . 1 . 1 250 250 GLY CA C 13 43.53 0.1 . . . . . . . 250 G CA . 52556 1 944 . 1 . 1 250 250 GLY N N 15 106.88 0.1 . . . . . . . 250 G N . 52556 1 945 . 1 . 1 251 251 ALA H H 1 7.85 0.01 . . . . . . . 251 A HN . 52556 1 946 . 1 . 1 251 251 ALA C C 13 176.54 0.1 . . . . . . . 251 A C . 52556 1 947 . 1 . 1 251 251 ALA CA C 13 51.27 0.1 . . . . . . . 251 A CA . 52556 1 948 . 1 . 1 251 251 ALA CB C 13 15.38 0.1 . . . . . . . 251 A CB . 52556 1 949 . 1 . 1 251 251 ALA N N 15 123.81 0.1 . . . . . . . 251 A N . 52556 1 950 . 1 . 1 252 252 LYS H H 1 7.61 0.01 . . . . . . . 252 K HN . 52556 1 951 . 1 . 1 252 252 LYS C C 13 174.91 0.1 . . . . . . . 252 K C . 52556 1 952 . 1 . 1 252 252 LYS CA C 13 55.17 0.1 . . . . . . . 252 K CA . 52556 1 953 . 1 . 1 252 252 LYS CB C 13 28.74 0.1 . . . . . . . 252 K CB . 52556 1 954 . 1 . 1 252 252 LYS N N 15 116.97 0.1 . . . . . . . 252 K N . 52556 1 955 . 1 . 1 253 253 ASN H H 1 7.82 0.01 . . . . . . . 253 N HN . 52556 1 956 . 1 . 1 253 253 ASN C C 13 172.85 0.1 . . . . . . . 253 N C . 52556 1 957 . 1 . 1 253 253 ASN CA C 13 50.94 0.1 . . . . . . . 253 N CA . 52556 1 958 . 1 . 1 253 253 ASN CB C 13 35.91 0.1 . . . . . . . 253 N CB . 52556 1 959 . 1 . 1 253 253 ASN N N 15 116.95 0.1 . . . . . . . 253 N N . 52556 1 960 . 1 . 1 254 254 GLY H H 1 7.63 0.01 . . . . . . . 254 G HN . 52556 1 961 . 1 . 1 254 254 GLY C C 13 169.38 0.1 . . . . . . . 254 G C . 52556 1 962 . 1 . 1 254 254 GLY CA C 13 41.99 0.1 . . . . . . . 254 G CA . 52556 1 963 . 1 . 1 254 254 GLY N N 15 109.64 0.1 . . . . . . . 254 G N . 52556 1 964 . 1 . 1 255 255 ILE H H 1 8.31 0.01 . . . . . . . 255 I HN . 52556 1 965 . 1 . 1 255 255 ILE C C 13 173.69 0.1 . . . . . . . 255 I C . 52556 1 966 . 1 . 1 255 255 ILE CA C 13 57.38 0.1 . . . . . . . 255 I CA . 52556 1 967 . 1 . 1 255 255 ILE CB C 13 36.53 0.1 . . . . . . . 255 I CB . 52556 1 968 . 1 . 1 255 255 ILE N N 15 123.36 0.1 . . . . . . . 255 I N . 52556 1 969 . 1 . 1 256 256 GLU H H 1 8.41 0.01 . . . . . . . 256 E HN . 52556 1 970 . 1 . 1 256 256 GLU C C 13 172.70 0.1 . . . . . . . 256 E C . 52556 1 971 . 1 . 1 256 256 GLU CA C 13 52.52 0.1 . . . . . . . 256 E CA . 52556 1 972 . 1 . 1 256 256 GLU CB C 13 27.54 0.1 . . . . . . . 256 E CB . 52556 1 973 . 1 . 1 256 256 GLU N N 15 129.09 0.1 . . . . . . . 256 E N . 52556 1 974 . 1 . 1 257 257 LYS H H 1 8.44 0.01 . . . . . . . 257 K HN . 52556 1 975 . 1 . 1 257 257 LYS C C 13 173.05 0.1 . . . . . . . 257 K C . 52556 1 976 . 1 . 1 257 257 LYS CA C 13 52.29 0.1 . . . . . . . 257 K CA . 52556 1 977 . 1 . 1 257 257 LYS CB C 13 32.44 0.1 . . . . . . . 257 K CB . 52556 1 978 . 1 . 1 257 257 LYS N N 15 122.66 0.1 . . . . . . . 257 K N . 52556 1 979 . 1 . 1 258 258 LEU H H 1 8.29 0.01 . . . . . . . 258 L HN . 52556 1 980 . 1 . 1 258 258 LEU C C 13 172.20 0.1 . . . . . . . 258 L C . 52556 1 981 . 1 . 1 258 258 LEU CA C 13 51.85 0.1 . . . . . . . 258 L CA . 52556 1 982 . 1 . 1 258 258 LEU CB C 13 43.60 0.1 . . . . . . . 258 L CB . 52556 1 983 . 1 . 1 258 258 LEU N N 15 122.92 0.1 . . . . . . . 258 L N . 52556 1 984 . 1 . 1 259 259 THR H H 1 8.09 0.01 . . . . . . . 259 T HN . 52556 1 985 . 1 . 1 259 259 THR C C 13 168.71 0.1 . . . . . . . 259 T C . 52556 1 986 . 1 . 1 259 259 THR CA C 13 59.15 0.1 . . . . . . . 259 T CA . 52556 1 987 . 1 . 1 259 259 THR CB C 13 67.39 0.1 . . . . . . . 259 T CB . 52556 1 988 . 1 . 1 259 259 THR N N 15 124.52 0.1 . . . . . . . 259 T N . 52556 1 989 . 1 . 1 260 260 ILE H H 1 8.14 0.01 . . . . . . . 260 I HN . 52556 1 990 . 1 . 1 260 260 ILE C C 13 172.52 0.1 . . . . . . . 260 I C . 52556 1 991 . 1 . 1 260 260 ILE CA C 13 54.25 0.1 . . . . . . . 260 I CA . 52556 1 992 . 1 . 1 260 260 ILE CB C 13 38.59 0.1 . . . . . . . 260 I CB . 52556 1 993 . 1 . 1 260 260 ILE N N 15 120.51 0.1 . . . . . . . 260 I N . 52556 1 994 . 1 . 1 261 261 PRO C C 13 170.70 0.1 . . . . . . . 261 P C . 52556 1 995 . 1 . 1 261 261 PRO CA C 13 61.22 0.1 . . . . . . . 261 P CA . 52556 1 996 . 1 . 1 261 261 PRO CB C 13 31.16 0.1 . . . . . . . 261 P CB . 52556 1 997 . 1 . 1 262 262 GLU H H 1 7.97 0.01 . . . . . . . 262 E HN . 52556 1 998 . 1 . 1 262 262 GLU C C 13 174.23 0.1 . . . . . . . 262 E C . 52556 1 999 . 1 . 1 262 262 GLU CA C 13 53.42 0.1 . . . . . . . 262 E CA . 52556 1 1000 . 1 . 1 262 262 GLU CB C 13 27.35 0.1 . . . . . . . 262 E CB . 52556 1 1001 . 1 . 1 262 262 GLU N N 15 112.86 0.1 . . . . . . . 262 E N . 52556 1 1002 . 1 . 1 263 263 LEU H H 1 6.73 0.01 . . . . . . . 263 L HN . 52556 1 1003 . 1 . 1 263 263 LEU C C 13 174.95 0.1 . . . . . . . 263 L C . 52556 1 1004 . 1 . 1 263 263 LEU CA C 13 54.37 0.1 . . . . . . . 263 L CA . 52556 1 1005 . 1 . 1 263 263 LEU CB C 13 36.90 0.1 . . . . . . . 263 L CB . 52556 1 1006 . 1 . 1 263 263 LEU N N 15 120.67 0.1 . . . . . . . 263 L N . 52556 1 1007 . 1 . 1 264 264 GLY H H 1 6.33 0.01 . . . . . . . 264 G HN . 52556 1 1008 . 1 . 1 264 264 GLY C C 13 170.74 0.1 . . . . . . . 264 G C . 52556 1 1009 . 1 . 1 264 264 GLY CA C 13 41.95 0.1 . . . . . . . 264 G CA . 52556 1 1010 . 1 . 1 264 264 GLY N N 15 115.01 0.1 . . . . . . . 264 G N . 52556 1 1011 . 1 . 1 265 265 ASP H H 1 8.19 0.01 . . . . . . . 265 D HN . 52556 1 1012 . 1 . 1 265 265 ASP C C 13 171.34 0.1 . . . . . . . 265 D C . 52556 1 1013 . 1 . 1 265 265 ASP CA C 13 49.68 0.1 . . . . . . . 265 D CA . 52556 1 1014 . 1 . 1 265 265 ASP CB C 13 37.28 0.1 . . . . . . . 265 D CB . 52556 1 1015 . 1 . 1 265 265 ASP N N 15 123.79 0.1 . . . . . . . 265 D N . 52556 1 1016 . 1 . 1 266 266 TRP H H 1 7.33 0.01 . . . . . . . 266 W HN . 52556 1 1017 . 1 . 1 266 266 TRP C C 13 171.67 0.1 . . . . . . . 266 W C . 52556 1 1018 . 1 . 1 266 266 TRP CA C 13 54.01 0.1 . . . . . . . 266 W CA . 52556 1 1019 . 1 . 1 266 266 TRP CB C 13 27.98 0.1 . . . . . . . 266 W CB . 52556 1 1020 . 1 . 1 266 266 TRP N N 15 114.78 0.1 . . . . . . . 266 W N . 52556 1 1021 . 1 . 1 267 267 VAL H H 1 8.61 0.01 . . . . . . . 267 V HN . 52556 1 1022 . 1 . 1 267 267 VAL C C 13 172.53 0.1 . . . . . . . 267 V C . 52556 1 1023 . 1 . 1 267 267 VAL CA C 13 57.79 0.1 . . . . . . . 267 V CA . 52556 1 1024 . 1 . 1 267 267 VAL CB C 13 31.73 0.1 . . . . . . . 267 V CB . 52556 1 1025 . 1 . 1 267 267 VAL N N 15 119.45 0.1 . . . . . . . 267 V N . 52556 1 1026 . 1 . 1 268 268 ASP H H 1 8.59 0.01 . . . . . . . 268 D HN . 52556 1 1027 . 1 . 1 268 268 ASP C C 13 172.79 0.1 . . . . . . . 268 D C . 52556 1 1028 . 1 . 1 268 268 ASP CA C 13 52.58 0.1 . . . . . . . 268 D CA . 52556 1 1029 . 1 . 1 268 268 ASP CB C 13 38.02 0.1 . . . . . . . 268 D CB . 52556 1 1030 . 1 . 1 268 268 ASP N N 15 127.13 0.1 . . . . . . . 268 D N . 52556 1 1031 . 1 . 1 269 269 ALA H H 1 8.00 0.01 . . . . . . . 269 A HN . 52556 1 1032 . 1 . 1 269 269 ALA C C 13 171.67 0.1 . . . . . . . 269 A C . 52556 1 1033 . 1 . 1 269 269 ALA CA C 13 48.15 0.1 . . . . . . . 269 A CA . 52556 1 1034 . 1 . 1 269 269 ALA CB C 13 19.34 0.1 . . . . . . . 269 A CB . 52556 1 1035 . 1 . 1 269 269 ALA N N 15 125.79 0.1 . . . . . . . 269 A N . 52556 1 1036 . 1 . 1 270 270 TYR H H 1 8.13 0.01 . . . . . . . 270 Y HN . 52556 1 1037 . 1 . 1 270 270 TYR C C 13 174.44 0.1 . . . . . . . 270 Y C . 52556 1 1038 . 1 . 1 270 270 TYR CA C 13 54.61 0.1 . . . . . . . 270 Y CA . 52556 1 1039 . 1 . 1 270 270 TYR CB C 13 37.62 0.1 . . . . . . . 270 Y CB . 52556 1 1040 . 1 . 1 270 270 TYR N N 15 117.79 0.1 . . . . . . . 270 Y N . 52556 1 1041 . 1 . 1 271 271 ASP H H 1 8.98 0.01 . . . . . . . 271 D HN . 52556 1 1042 . 1 . 1 271 271 ASP C C 13 176.10 0.1 . . . . . . . 271 D C . 52556 1 1043 . 1 . 1 271 271 ASP CA C 13 49.30 0.1 . . . . . . . 271 D CA . 52556 1 1044 . 1 . 1 271 271 ASP CB C 13 39.01 0.1 . . . . . . . 271 D CB . 52556 1 1045 . 1 . 1 271 271 ASP N N 15 121.25 0.1 . . . . . . . 271 D N . 52556 1 1046 . 1 . 1 272 272 VAL H H 1 7.95 0.01 . . . . . . . 272 V HN . 52556 1 1047 . 1 . 1 272 272 VAL C C 13 173.40 0.1 . . . . . . . 272 V C . 52556 1 1048 . 1 . 1 272 272 VAL CA C 13 60.81 0.1 . . . . . . . 272 V CA . 52556 1 1049 . 1 . 1 272 272 VAL CB C 13 28.53 0.1 . . . . . . . 272 V CB . 52556 1 1050 . 1 . 1 272 272 VAL N N 15 114.10 0.1 . . . . . . . 272 V N . 52556 1 1051 . 1 . 1 273 273 TYR H H 1 8.00 0.01 . . . . . . . 273 Y HN . 52556 1 1052 . 1 . 1 273 273 TYR C C 13 174.16 0.1 . . . . . . . 273 Y C . 52556 1 1053 . 1 . 1 273 273 TYR CA C 13 54.06 0.1 . . . . . . . 273 Y CA . 52556 1 1054 . 1 . 1 273 273 TYR CB C 13 34.94 0.1 . . . . . . . 273 Y CB . 52556 1 1055 . 1 . 1 273 273 TYR N N 15 120.65 0.1 . . . . . . . 273 Y N . 52556 1 1056 . 1 . 1 274 274 GLY H H 1 8.12 0.01 . . . . . . . 274 G HN . 52556 1 1057 . 1 . 1 274 274 GLY C C 13 172.09 0.1 . . . . . . . 274 G C . 52556 1 1058 . 1 . 1 274 274 GLY CA C 13 42.44 0.1 . . . . . . . 274 G CA . 52556 1 1059 . 1 . 1 274 274 GLY N N 15 109.34 0.1 . . . . . . . 274 G N . 52556 1 1060 . 1 . 1 275 275 GLY H H 1 9.38 0.01 . . . . . . . 275 G HN . 52556 1 1061 . 1 . 1 275 275 GLY C C 13 170.06 0.1 . . . . . . . 275 G C . 52556 1 1062 . 1 . 1 275 275 GLY CA C 13 41.18 0.1 . . . . . . . 275 G CA . 52556 1 1063 . 1 . 1 275 275 GLY N N 15 112.84 0.1 . . . . . . . 275 G N . 52556 1 1064 . 1 . 1 276 276 LEU H H 1 8.31 0.01 . . . . . . . 276 L HN . 52556 1 1065 . 1 . 1 276 276 LEU C C 13 174.84 0.1 . . . . . . . 276 L C . 52556 1 1066 . 1 . 1 276 276 LEU CA C 13 52.51 0.1 . . . . . . . 276 L CA . 52556 1 1067 . 1 . 1 276 276 LEU CB C 13 39.16 0.1 . . . . . . . 276 L CB . 52556 1 1068 . 1 . 1 276 276 LEU N N 15 123.98 0.1 . . . . . . . 276 L N . 52556 1 1069 . 1 . 1 277 277 GLY H H 1 9.11 0.01 . . . . . . . 277 G HN . 52556 1 1070 . 1 . 1 277 277 GLY C C 13 168.09 0.1 . . . . . . . 277 G C . 52556 1 1071 . 1 . 1 277 277 GLY CA C 13 40.71 0.1 . . . . . . . 277 G CA . 52556 1 1072 . 1 . 1 277 277 GLY N N 15 112.82 0.1 . . . . . . . 277 G N . 52556 1 1073 . 1 . 1 278 278 LEU H H 1 7.64 0.01 . . . . . . . 278 L HN . 52556 1 1074 . 1 . 1 278 278 LEU C C 13 171.52 0.1 . . . . . . . 278 L C . 52556 1 1075 . 1 . 1 278 278 LEU CA C 13 50.09 0.1 . . . . . . . 278 L CA . 52556 1 1076 . 1 . 1 278 278 LEU CB C 13 37.72 0.1 . . . . . . . 278 L CB . 52556 1 1077 . 1 . 1 278 278 LEU N N 15 118.40 0.1 . . . . . . . 278 L N . 52556 1 1078 . 1 . 1 279 279 LEU H H 1 9.14 0.01 . . . . . . . 279 L HN . 52556 1 1079 . 1 . 1 279 279 LEU C C 13 174.28 0.1 . . . . . . . 279 L C . 52556 1 1080 . 1 . 1 279 279 LEU CA C 13 51.91 0.1 . . . . . . . 279 L CA . 52556 1 1081 . 1 . 1 279 279 LEU CB C 13 38.67 0.1 . . . . . . . 279 L CB . 52556 1 1082 . 1 . 1 279 279 LEU N N 15 128.25 0.1 . . . . . . . 279 L N . 52556 1 1083 . 1 . 1 280 280 VAL H H 1 9.02 0.01 . . . . . . . 280 V HN . 52556 1 1084 . 1 . 1 280 280 VAL C C 13 172.19 0.1 . . . . . . . 280 V C . 52556 1 1085 . 1 . 1 280 280 VAL CA C 13 57.95 0.1 . . . . . . . 280 V CA . 52556 1 1086 . 1 . 1 280 280 VAL CB C 13 32.39 0.1 . . . . . . . 280 V CB . 52556 1 1087 . 1 . 1 280 280 VAL N N 15 129.55 0.1 . . . . . . . 280 V N . 52556 1 1088 . 1 . 1 281 281 ASP H H 1 9.07 0.01 . . . . . . . 281 D HN . 52556 1 1089 . 1 . 1 281 281 ASP C C 13 173.41 0.1 . . . . . . . 281 D C . 52556 1 1090 . 1 . 1 281 281 ASP CA C 13 49.69 0.1 . . . . . . . 281 D CA . 52556 1 1091 . 1 . 1 281 281 ASP CB C 13 36.31 0.1 . . . . . . . 281 D CB . 52556 1 1092 . 1 . 1 281 281 ASP N N 15 124.39 0.1 . . . . . . . 281 D N . 52556 1 1093 . 1 . 1 282 282 GLN H H 1 8.33 0.01 . . . . . . . 282 Q HN . 52556 1 1094 . 1 . 1 282 282 GLN C C 13 176.07 0.1 . . . . . . . 282 Q C . 52556 1 1095 . 1 . 1 282 282 GLN CA C 13 56.91 0.1 . . . . . . . 282 Q CA . 52556 1 1096 . 1 . 1 282 282 GLN CB C 13 23.92 0.1 . . . . . . . 282 Q CB . 52556 1 1097 . 1 . 1 282 282 GLN N N 15 126.73 0.1 . . . . . . . 282 Q N . 52556 1 1098 . 1 . 1 283 283 ASN H H 1 8.37 0.01 . . . . . . . 283 N HN . 52556 1 1099 . 1 . 1 283 283 ASN C C 13 174.98 0.1 . . . . . . . 283 N C . 52556 1 1100 . 1 . 1 283 283 ASN CA C 13 54.38 0.1 . . . . . . . 283 N CA . 52556 1 1101 . 1 . 1 283 283 ASN CB C 13 35.34 0.1 . . . . . . . 283 N CB . 52556 1 1102 . 1 . 1 283 283 ASN N N 15 119.03 0.1 . . . . . . . 283 N N . 52556 1 1103 . 1 . 1 284 284 LYS H H 1 7.78 0.01 . . . . . . . 284 K HN . 52556 1 1104 . 1 . 1 284 284 LYS C C 13 177.33 0.1 . . . . . . . 284 K C . 52556 1 1105 . 1 . 1 284 284 LYS CA C 13 56.20 0.1 . . . . . . . 284 K CA . 52556 1 1106 . 1 . 1 284 284 LYS CB C 13 28.31 0.1 . . . . . . . 284 K CB . 52556 1 1107 . 1 . 1 284 284 LYS N N 15 122.81 0.1 . . . . . . . 284 K N . 52556 1 1108 . 1 . 1 285 285 TYR H H 1 7.69 0.01 . . . . . . . 285 Y HN . 52556 1 1109 . 1 . 1 285 285 TYR C C 13 175.43 0.1 . . . . . . . 285 Y C . 52556 1 1110 . 1 . 1 285 285 TYR CA C 13 61.15 0.1 . . . . . . . 285 Y CA . 52556 1 1111 . 1 . 1 285 285 TYR CB C 13 35.42 0.1 . . . . . . . 285 Y CB . 52556 1 1112 . 1 . 1 285 285 TYR N N 15 116.67 0.1 . . . . . . . 285 Y N . 52556 1 1113 . 1 . 1 286 286 GLN H H 1 9.01 0.01 . . . . . . . 286 Q HN . 52556 1 1114 . 1 . 1 286 286 GLN C C 13 177.71 0.1 . . . . . . . 286 Q C . 52556 1 1115 . 1 . 1 286 286 GLN CA C 13 58.34 0.1 . . . . . . . 286 Q CA . 52556 1 1116 . 1 . 1 286 286 GLN CB C 13 23.72 0.1 . . . . . . . 286 Q CB . 52556 1 1117 . 1 . 1 286 286 GLN N N 15 122.84 0.1 . . . . . . . 286 Q N . 52556 1 1118 . 1 . 1 287 287 THR H H 1 8.01 0.01 . . . . . . . 287 T HN . 52556 1 1119 . 1 . 1 287 287 THR C C 13 173.63 0.1 . . . . . . . 287 T C . 52556 1 1120 . 1 . 1 287 287 THR CA C 13 63.99 0.1 . . . . . . . 287 T CA . 52556 1 1121 . 1 . 1 287 287 THR CB C 13 65.22 0.1 . . . . . . . 287 T CB . 52556 1 1122 . 1 . 1 287 287 THR N N 15 120.55 0.1 . . . . . . . 287 T N . 52556 1 1123 . 1 . 1 288 288 LYS H H 1 7.67 0.01 . . . . . . . 288 K HN . 52556 1 1124 . 1 . 1 288 288 LYS C C 13 176.40 0.1 . . . . . . . 288 K C . 52556 1 1125 . 1 . 1 288 288 LYS CA C 13 56.49 0.1 . . . . . . . 288 K CA . 52556 1 1126 . 1 . 1 288 288 LYS CB C 13 28.57 0.1 . . . . . . . 288 K CB . 52556 1 1127 . 1 . 1 288 288 LYS N N 15 123.03 0.1 . . . . . . . 288 K N . 52556 1 1128 . 1 . 1 289 289 LEU H H 1 8.49 0.01 . . . . . . . 289 L HN . 52556 1 1129 . 1 . 1 289 289 LEU C C 13 176.12 0.1 . . . . . . . 289 L C . 52556 1 1130 . 1 . 1 289 289 LEU CA C 13 55.01 0.1 . . . . . . . 289 L CA . 52556 1 1131 . 1 . 1 289 289 LEU CB C 13 38.90 0.1 . . . . . . . 289 L CB . 52556 1 1132 . 1 . 1 289 289 LEU N N 15 118.38 0.1 . . . . . . . 289 L N . 52556 1 1133 . 1 . 1 290 290 ALA H H 1 7.67 0.01 . . . . . . . 290 A HN . 52556 1 1134 . 1 . 1 290 290 ALA C C 13 178.33 0.1 . . . . . . . 290 A C . 52556 1 1135 . 1 . 1 290 290 ALA CA C 13 51.44 0.1 . . . . . . . 290 A CA . 52556 1 1136 . 1 . 1 290 290 ALA CB C 13 14.47 0.1 . . . . . . . 290 A CB . 52556 1 1137 . 1 . 1 290 290 ALA N N 15 122.92 0.1 . . . . . . . 290 A N . 52556 1 1138 . 1 . 1 291 291 GLN H H 1 8.14 0.01 . . . . . . . 291 Q HN . 52556 1 1139 . 1 . 1 291 291 GLN C C 13 175.62 0.1 . . . . . . . 291 Q C . 52556 1 1140 . 1 . 1 291 291 GLN CA C 13 55.59 0.1 . . . . . . . 291 Q CA . 52556 1 1141 . 1 . 1 291 291 GLN CB C 13 24.54 0.1 . . . . . . . 291 Q CB . 52556 1 1142 . 1 . 1 291 291 GLN N N 15 120.45 0.1 . . . . . . . 291 Q N . 52556 1 1143 . 1 . 1 292 292 MET H H 1 7.76 0.01 . . . . . . . 292 M HN . 52556 1 1144 . 1 . 1 292 292 MET C C 13 173.29 0.1 . . . . . . . 292 M C . 52556 1 1145 . 1 . 1 292 292 MET CA C 13 53.84 0.1 . . . . . . . 292 M CA . 52556 1 1146 . 1 . 1 292 292 MET CB C 13 32.13 0.1 . . . . . . . 292 M CB . 52556 1 1147 . 1 . 1 292 292 MET N N 15 115.55 0.1 . . . . . . . 292 M N . 52556 1 1148 . 1 . 1 293 293 GLY H H 1 7.52 0.01 . . . . . . . 293 G HN . 52556 1 1149 . 1 . 1 293 293 GLY C C 13 171.83 0.1 . . . . . . . 293 G C . 52556 1 1150 . 1 . 1 293 293 GLY CA C 13 42.26 0.1 . . . . . . . 293 G CA . 52556 1 1151 . 1 . 1 293 293 GLY N N 15 104.41 0.1 . . . . . . . 293 G N . 52556 1 1152 . 1 . 1 294 294 LEU H H 1 7.97 0.01 . . . . . . . 294 L HN . 52556 1 1153 . 1 . 1 294 294 LEU C C 13 172.91 0.1 . . . . . . . 294 L C . 52556 1 1154 . 1 . 1 294 294 LEU CA C 13 55.24 0.1 . . . . . . . 294 L CA . 52556 1 1155 . 1 . 1 294 294 LEU CB C 13 39.86 0.1 . . . . . . . 294 L CB . 52556 1 1156 . 1 . 1 294 294 LEU N N 15 119.31 0.1 . . . . . . . 294 L N . 52556 1 1157 . 1 . 1 295 295 ARG H H 1 7.47 0.01 . . . . . . . 295 R HN . 52556 1 1158 . 1 . 1 295 295 ARG C C 13 176.48 0.1 . . . . . . . 295 R C . 52556 1 1159 . 1 . 1 295 295 ARG CA C 13 53.93 0.1 . . . . . . . 295 R CA . 52556 1 1160 . 1 . 1 295 295 ARG CB C 13 29.54 0.1 . . . . . . . 295 R CB . 52556 1 1161 . 1 . 1 295 295 ARG N N 15 121.67 0.1 . . . . . . . 295 R N . 52556 1 stop_ save_