data_18779 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18779 _Entry.Title ; Backbone resonance assignments of FrpD from Neisseria meningitidis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-11 _Entry.Accession_date 2012-10-11 _Entry.Last_release_date 2013-01-29 _Entry.Original_release_date 2013-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Ladislav Bumba . . . 18779 2 Ekaterina Sviridova . . . 18779 3 Ivana 'Kuta Smatanova' . . . 18779 4 Pavlina Rezacova . . . 18779 5 Vaclav Veverka . . . 18779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 687 18779 '15N chemical shifts' 217 18779 '1H chemical shifts' 217 18779 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 . . 2013-01-29 2012-10-11 original author . 18779 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18779 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23225222 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments of the outer membrane lipoprotein FrpD from Neisseria meningitidis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _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 2012 _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.Entry_ID _Citation_author.Citation_ID 1 Ladislav Bumba . . . 18779 1 2 Ekaterina Sviridova . . . 18779 1 3 Ivana 'Kuta Smatanova' . . . 18779 1 4 Pavlina Rezaova . . . 18779 1 5 Vaclav Veverka . . . 18779 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18779 _Assembly.ID 1 _Assembly.Name FrpD_protein _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FrpD_protein 1 $FrpD A . yes native no no . . . 18779 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 110 110 SG . 1 . 1 CYS 187 187 SG . . . . . . . . . . 18779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FrpD _Entity.Sf_category entity _Entity.Sf_framecode FrpD _Entity.Entry_ID 18779 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FrpD _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 ; MAKEQTSFNNPEPMTGFEHT VTFDFQGTKMVIPYGYLARY TQDNATKWLSDTPGQDAYSI NLIEISVYYKKTDQGWVLEP YNQQNKAHFIQFLRDGLDSV DDIVIRKDACSLSTTMGERL LTYGVKKMPSAYPEYEAYED KRHIPENPYFHEFYYIKKGE NPAIITHRNNRINQTEEDSY STSVGSCINGFTVQYYPFIR EKQQLTQQELVGYHQQVEQL VQSFVNNSNKKENLYFQ ; _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 237 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no EMBL CAM09823 . "putative outer membrane protein [Neisseria meningitidis FAM18]" . . . . . 97.05 271 100.00 100.00 8.20e-171 . . . . 18779 1 2 no EMBL CAM10568 . "putative rtx iron-regulated frpc protein outer membrane [Neisseria meningitidis FAM18]" . . . . . 97.05 271 100.00 100.00 8.20e-171 . . . . 18779 1 3 no EMBL CBA03514 . "FrpC operon protein [Neisseria meningitidis alpha153]" . . . . . 97.05 250 97.83 99.13 2.60e-167 . . . . 18779 1 4 no EMBL CBA04365 . "FrpC operon protein [Neisseria meningitidis alpha14]" . . . . . 97.05 250 97.83 99.13 2.57e-167 . . . . 18779 1 5 no EMBL CBA08292 . "FrpC operon protein [Neisseria meningitidis alpha275]" . . . . . 70.04 176 96.99 98.80 8.33e-115 . . . . 18779 1 6 no GB AAA99901 . "ORF1 [Neisseria meningitidis]" . . . . . 97.05 271 100.00 100.00 8.20e-171 . . . . 18779 1 7 no GB AAF40807 . "FrpC operon protein [Neisseria meningitidis MC58]" . . . . . 96.20 257 98.68 100.00 1.07e-166 . . . . 18779 1 8 no GB AAF41012 . "FrpC operon protein [Neisseria meningitidis MC58]" . . . . . 97.05 271 97.83 99.13 6.37e-167 . . . . 18779 1 9 no GB AAF41775 . "FrpC operon protein [Neisseria meningitidis MC58]" . . . . . 96.20 257 97.81 99.12 3.98e-165 . . . . 18779 1 10 no GB ABX73920 . "FrpC operon protein [Neisseria meningitidis 053442]" . . . . . 96.20 236 97.37 98.68 1.76e-164 . . . . 18779 1 11 no REF NP_273413 . "outer membrane protein FrpC [Neisseria meningitidis MC58]" . . . . . 96.20 257 98.68 100.00 1.07e-166 . . . . 18779 1 12 no REF NP_273628 . "outer membrane protein FrpC [Neisseria meningitidis MC58]" . . . . . 97.05 271 97.83 99.13 6.37e-167 . . . . 18779 1 13 no REF NP_274426 . "outer membrane protein FrpC [Neisseria meningitidis MC58]" . . . . . 96.20 257 97.81 99.12 3.98e-165 . . . . 18779 1 14 no REF WP_002218733 . "FrpC operon protein [Neisseria meningitidis]" . . . . . 96.20 257 97.37 98.68 4.71e-164 . . . . 18779 1 15 no REF WP_002221985 . "FrpC operon protein [Neisseria meningitidis]" . . . . . 97.05 271 97.39 99.13 2.17e-166 . . . . 18779 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 41 MET . 18779 1 2 42 ALA . 18779 1 3 43 LYS . 18779 1 4 44 GLU . 18779 1 5 45 GLN . 18779 1 6 46 THR . 18779 1 7 47 SER . 18779 1 8 48 PHE . 18779 1 9 49 ASN . 18779 1 10 50 ASN . 18779 1 11 51 PRO . 18779 1 12 52 GLU . 18779 1 13 53 PRO . 18779 1 14 54 MET . 18779 1 15 55 THR . 18779 1 16 56 GLY . 18779 1 17 57 PHE . 18779 1 18 58 GLU . 18779 1 19 59 HIS . 18779 1 20 60 THR . 18779 1 21 61 VAL . 18779 1 22 62 THR . 18779 1 23 63 PHE . 18779 1 24 64 ASP . 18779 1 25 65 PHE . 18779 1 26 66 GLN . 18779 1 27 67 GLY . 18779 1 28 68 THR . 18779 1 29 69 LYS . 18779 1 30 70 MET . 18779 1 31 71 VAL . 18779 1 32 72 ILE . 18779 1 33 73 PRO . 18779 1 34 74 TYR . 18779 1 35 75 GLY . 18779 1 36 76 TYR . 18779 1 37 77 LEU . 18779 1 38 78 ALA . 18779 1 39 79 ARG . 18779 1 40 80 TYR . 18779 1 41 81 THR . 18779 1 42 82 GLN . 18779 1 43 83 ASP . 18779 1 44 84 ASN . 18779 1 45 85 ALA . 18779 1 46 86 THR . 18779 1 47 87 LYS . 18779 1 48 88 TRP . 18779 1 49 89 LEU . 18779 1 50 90 SER . 18779 1 51 91 ASP . 18779 1 52 92 THR . 18779 1 53 93 PRO . 18779 1 54 94 GLY . 18779 1 55 95 GLN . 18779 1 56 96 ASP . 18779 1 57 97 ALA . 18779 1 58 98 TYR . 18779 1 59 99 SER . 18779 1 60 100 ILE . 18779 1 61 101 ASN . 18779 1 62 102 LEU . 18779 1 63 103 ILE . 18779 1 64 104 GLU . 18779 1 65 105 ILE . 18779 1 66 106 SER . 18779 1 67 107 VAL . 18779 1 68 108 TYR . 18779 1 69 109 TYR . 18779 1 70 110 LYS . 18779 1 71 111 LYS . 18779 1 72 112 THR . 18779 1 73 113 ASP . 18779 1 74 114 GLN . 18779 1 75 115 GLY . 18779 1 76 116 TRP . 18779 1 77 117 VAL . 18779 1 78 118 LEU . 18779 1 79 119 GLU . 18779 1 80 120 PRO . 18779 1 81 121 TYR . 18779 1 82 122 ASN . 18779 1 83 123 GLN . 18779 1 84 124 GLN . 18779 1 85 125 ASN . 18779 1 86 126 LYS . 18779 1 87 127 ALA . 18779 1 88 128 HIS . 18779 1 89 129 PHE . 18779 1 90 130 ILE . 18779 1 91 131 GLN . 18779 1 92 132 PHE . 18779 1 93 133 LEU . 18779 1 94 134 ARG . 18779 1 95 135 ASP . 18779 1 96 136 GLY . 18779 1 97 137 LEU . 18779 1 98 138 ASP . 18779 1 99 139 SER . 18779 1 100 140 VAL . 18779 1 101 141 ASP . 18779 1 102 142 ASP . 18779 1 103 143 ILE . 18779 1 104 144 VAL . 18779 1 105 145 ILE . 18779 1 106 146 ARG . 18779 1 107 147 LYS . 18779 1 108 148 ASP . 18779 1 109 149 ALA . 18779 1 110 150 CYS . 18779 1 111 151 SER . 18779 1 112 152 LEU . 18779 1 113 153 SER . 18779 1 114 154 THR . 18779 1 115 155 THR . 18779 1 116 156 MET . 18779 1 117 157 GLY . 18779 1 118 158 GLU . 18779 1 119 159 ARG . 18779 1 120 160 LEU . 18779 1 121 161 LEU . 18779 1 122 162 THR . 18779 1 123 163 TYR . 18779 1 124 164 GLY . 18779 1 125 165 VAL . 18779 1 126 166 LYS . 18779 1 127 167 LYS . 18779 1 128 168 MET . 18779 1 129 169 PRO . 18779 1 130 170 SER . 18779 1 131 171 ALA . 18779 1 132 172 TYR . 18779 1 133 173 PRO . 18779 1 134 174 GLU . 18779 1 135 175 TYR . 18779 1 136 176 GLU . 18779 1 137 177 ALA . 18779 1 138 178 TYR . 18779 1 139 179 GLU . 18779 1 140 180 ASP . 18779 1 141 181 LYS . 18779 1 142 182 ARG . 18779 1 143 183 HIS . 18779 1 144 184 ILE . 18779 1 145 185 PRO . 18779 1 146 186 GLU . 18779 1 147 187 ASN . 18779 1 148 188 PRO . 18779 1 149 189 TYR . 18779 1 150 190 PHE . 18779 1 151 191 HIS . 18779 1 152 192 GLU . 18779 1 153 193 PHE . 18779 1 154 194 TYR . 18779 1 155 195 TYR . 18779 1 156 196 ILE . 18779 1 157 197 LYS . 18779 1 158 198 LYS . 18779 1 159 199 GLY . 18779 1 160 200 GLU . 18779 1 161 201 ASN . 18779 1 162 202 PRO . 18779 1 163 203 ALA . 18779 1 164 204 ILE . 18779 1 165 205 ILE . 18779 1 166 206 THR . 18779 1 167 207 HIS . 18779 1 168 208 ARG . 18779 1 169 209 ASN . 18779 1 170 210 ASN . 18779 1 171 211 ARG . 18779 1 172 212 ILE . 18779 1 173 213 ASN . 18779 1 174 214 GLN . 18779 1 175 215 THR . 18779 1 176 216 GLU . 18779 1 177 217 GLU . 18779 1 178 218 ASP . 18779 1 179 219 SER . 18779 1 180 220 TYR . 18779 1 181 221 SER . 18779 1 182 222 THR . 18779 1 183 223 SER . 18779 1 184 224 VAL . 18779 1 185 225 GLY . 18779 1 186 226 SER . 18779 1 187 227 CYS . 18779 1 188 228 ILE . 18779 1 189 229 ASN . 18779 1 190 230 GLY . 18779 1 191 231 PHE . 18779 1 192 232 THR . 18779 1 193 233 VAL . 18779 1 194 234 GLN . 18779 1 195 235 TYR . 18779 1 196 236 TYR . 18779 1 197 237 PRO . 18779 1 198 238 PHE . 18779 1 199 239 ILE . 18779 1 200 240 ARG . 18779 1 201 241 GLU . 18779 1 202 242 LYS . 18779 1 203 243 GLN . 18779 1 204 244 GLN . 18779 1 205 245 LEU . 18779 1 206 246 THR . 18779 1 207 247 GLN . 18779 1 208 248 GLN . 18779 1 209 249 GLU . 18779 1 210 250 LEU . 18779 1 211 251 VAL . 18779 1 212 252 GLY . 18779 1 213 253 TYR . 18779 1 214 254 HIS . 18779 1 215 255 GLN . 18779 1 216 256 GLN . 18779 1 217 257 VAL . 18779 1 218 258 GLU . 18779 1 219 259 GLN . 18779 1 220 260 LEU . 18779 1 221 261 VAL . 18779 1 222 262 GLN . 18779 1 223 263 SER . 18779 1 224 264 PHE . 18779 1 225 265 VAL . 18779 1 226 266 ASN . 18779 1 227 267 ASN . 18779 1 228 268 SER . 18779 1 229 269 ASN . 18779 1 230 270 LYS . 18779 1 231 271 LYS . 18779 1 232 272 GLU . 18779 1 233 273 ASN . 18779 1 234 274 LEU . 18779 1 235 275 TYR . 18779 1 236 276 PHE . 18779 1 237 277 GLN . 18779 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18779 1 . ALA 2 2 18779 1 . LYS 3 3 18779 1 . GLU 4 4 18779 1 . GLN 5 5 18779 1 . THR 6 6 18779 1 . SER 7 7 18779 1 . PHE 8 8 18779 1 . ASN 9 9 18779 1 . ASN 10 10 18779 1 . PRO 11 11 18779 1 . GLU 12 12 18779 1 . PRO 13 13 18779 1 . MET 14 14 18779 1 . THR 15 15 18779 1 . GLY 16 16 18779 1 . PHE 17 17 18779 1 . GLU 18 18 18779 1 . HIS 19 19 18779 1 . THR 20 20 18779 1 . VAL 21 21 18779 1 . THR 22 22 18779 1 . PHE 23 23 18779 1 . ASP 24 24 18779 1 . PHE 25 25 18779 1 . GLN 26 26 18779 1 . GLY 27 27 18779 1 . THR 28 28 18779 1 . LYS 29 29 18779 1 . MET 30 30 18779 1 . VAL 31 31 18779 1 . ILE 32 32 18779 1 . PRO 33 33 18779 1 . TYR 34 34 18779 1 . GLY 35 35 18779 1 . TYR 36 36 18779 1 . LEU 37 37 18779 1 . ALA 38 38 18779 1 . ARG 39 39 18779 1 . TYR 40 40 18779 1 . THR 41 41 18779 1 . GLN 42 42 18779 1 . ASP 43 43 18779 1 . ASN 44 44 18779 1 . ALA 45 45 18779 1 . THR 46 46 18779 1 . LYS 47 47 18779 1 . TRP 48 48 18779 1 . LEU 49 49 18779 1 . SER 50 50 18779 1 . ASP 51 51 18779 1 . THR 52 52 18779 1 . PRO 53 53 18779 1 . GLY 54 54 18779 1 . GLN 55 55 18779 1 . ASP 56 56 18779 1 . ALA 57 57 18779 1 . TYR 58 58 18779 1 . SER 59 59 18779 1 . ILE 60 60 18779 1 . ASN 61 61 18779 1 . LEU 62 62 18779 1 . ILE 63 63 18779 1 . GLU 64 64 18779 1 . ILE 65 65 18779 1 . SER 66 66 18779 1 . VAL 67 67 18779 1 . TYR 68 68 18779 1 . TYR 69 69 18779 1 . LYS 70 70 18779 1 . LYS 71 71 18779 1 . THR 72 72 18779 1 . ASP 73 73 18779 1 . GLN 74 74 18779 1 . GLY 75 75 18779 1 . TRP 76 76 18779 1 . VAL 77 77 18779 1 . LEU 78 78 18779 1 . GLU 79 79 18779 1 . PRO 80 80 18779 1 . TYR 81 81 18779 1 . ASN 82 82 18779 1 . GLN 83 83 18779 1 . GLN 84 84 18779 1 . ASN 85 85 18779 1 . LYS 86 86 18779 1 . ALA 87 87 18779 1 . HIS 88 88 18779 1 . PHE 89 89 18779 1 . ILE 90 90 18779 1 . GLN 91 91 18779 1 . PHE 92 92 18779 1 . LEU 93 93 18779 1 . ARG 94 94 18779 1 . ASP 95 95 18779 1 . GLY 96 96 18779 1 . LEU 97 97 18779 1 . ASP 98 98 18779 1 . SER 99 99 18779 1 . VAL 100 100 18779 1 . ASP 101 101 18779 1 . ASP 102 102 18779 1 . ILE 103 103 18779 1 . VAL 104 104 18779 1 . ILE 105 105 18779 1 . ARG 106 106 18779 1 . LYS 107 107 18779 1 . ASP 108 108 18779 1 . ALA 109 109 18779 1 . CYS 110 110 18779 1 . SER 111 111 18779 1 . LEU 112 112 18779 1 . SER 113 113 18779 1 . THR 114 114 18779 1 . THR 115 115 18779 1 . MET 116 116 18779 1 . GLY 117 117 18779 1 . GLU 118 118 18779 1 . ARG 119 119 18779 1 . LEU 120 120 18779 1 . LEU 121 121 18779 1 . THR 122 122 18779 1 . TYR 123 123 18779 1 . GLY 124 124 18779 1 . VAL 125 125 18779 1 . LYS 126 126 18779 1 . LYS 127 127 18779 1 . MET 128 128 18779 1 . PRO 129 129 18779 1 . SER 130 130 18779 1 . ALA 131 131 18779 1 . TYR 132 132 18779 1 . PRO 133 133 18779 1 . GLU 134 134 18779 1 . TYR 135 135 18779 1 . GLU 136 136 18779 1 . ALA 137 137 18779 1 . TYR 138 138 18779 1 . GLU 139 139 18779 1 . ASP 140 140 18779 1 . LYS 141 141 18779 1 . ARG 142 142 18779 1 . HIS 143 143 18779 1 . ILE 144 144 18779 1 . PRO 145 145 18779 1 . GLU 146 146 18779 1 . ASN 147 147 18779 1 . PRO 148 148 18779 1 . TYR 149 149 18779 1 . PHE 150 150 18779 1 . HIS 151 151 18779 1 . GLU 152 152 18779 1 . PHE 153 153 18779 1 . TYR 154 154 18779 1 . TYR 155 155 18779 1 . ILE 156 156 18779 1 . LYS 157 157 18779 1 . LYS 158 158 18779 1 . GLY 159 159 18779 1 . GLU 160 160 18779 1 . ASN 161 161 18779 1 . PRO 162 162 18779 1 . ALA 163 163 18779 1 . ILE 164 164 18779 1 . ILE 165 165 18779 1 . THR 166 166 18779 1 . HIS 167 167 18779 1 . ARG 168 168 18779 1 . ASN 169 169 18779 1 . ASN 170 170 18779 1 . ARG 171 171 18779 1 . ILE 172 172 18779 1 . ASN 173 173 18779 1 . GLN 174 174 18779 1 . THR 175 175 18779 1 . GLU 176 176 18779 1 . GLU 177 177 18779 1 . ASP 178 178 18779 1 . SER 179 179 18779 1 . TYR 180 180 18779 1 . SER 181 181 18779 1 . THR 182 182 18779 1 . SER 183 183 18779 1 . VAL 184 184 18779 1 . GLY 185 185 18779 1 . SER 186 186 18779 1 . CYS 187 187 18779 1 . ILE 188 188 18779 1 . ASN 189 189 18779 1 . GLY 190 190 18779 1 . PHE 191 191 18779 1 . THR 192 192 18779 1 . VAL 193 193 18779 1 . GLN 194 194 18779 1 . TYR 195 195 18779 1 . TYR 196 196 18779 1 . PRO 197 197 18779 1 . PHE 198 198 18779 1 . ILE 199 199 18779 1 . ARG 200 200 18779 1 . GLU 201 201 18779 1 . LYS 202 202 18779 1 . GLN 203 203 18779 1 . GLN 204 204 18779 1 . LEU 205 205 18779 1 . THR 206 206 18779 1 . GLN 207 207 18779 1 . GLN 208 208 18779 1 . GLU 209 209 18779 1 . LEU 210 210 18779 1 . VAL 211 211 18779 1 . GLY 212 212 18779 1 . TYR 213 213 18779 1 . HIS 214 214 18779 1 . GLN 215 215 18779 1 . GLN 216 216 18779 1 . VAL 217 217 18779 1 . GLU 218 218 18779 1 . GLN 219 219 18779 1 . LEU 220 220 18779 1 . VAL 221 221 18779 1 . GLN 222 222 18779 1 . SER 223 223 18779 1 . PHE 224 224 18779 1 . VAL 225 225 18779 1 . ASN 226 226 18779 1 . ASN 227 227 18779 1 . SER 228 228 18779 1 . ASN 229 229 18779 1 . LYS 230 230 18779 1 . LYS 231 231 18779 1 . GLU 232 232 18779 1 . ASN 233 233 18779 1 . LEU 234 234 18779 1 . TYR 235 235 18779 1 . PHE 236 236 18779 1 . GLN 237 237 18779 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18779 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FrpD . 487 organism . 'Neisseria meningitidis' 'Neisseria meningitidis' . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . . . . . . . . . 18779 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18779 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FrpD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28b . . . . . . 18779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18779 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FrpD '[U-100% 13C; U-100% 15N]' . . 1 $FrpD . . 0.250 . . mM . . . . 18779 1 2 'sodium phosphate' 'natural abundance' . . . . . . 6 . . mM . . . . 18779 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18779 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18779 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18779 1 pH 7.4 . pH 18779 1 pressure 1 . atm 18779 1 temperature 308 . K 18779 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18779 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18779 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18779 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18779 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18779 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18779 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18779 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18779 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18779 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18779 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18779 1 3 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18779 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18779 1 5 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18779 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18779 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18779 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18779 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18779 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18779 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18779 1 2 '3D HNCO' . . . 18779 1 3 '3D HCACO' . . . 18779 1 4 '3D HNCACB' . . . 18779 1 5 '3D CBCA(CO)NH' . . . 18779 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS C C 13 176.403 0.064 . 1 . . . . 43 LYS C . 18779 1 2 . 1 1 3 3 LYS CA C 13 56.661 0.088 . 1 . . . . 43 LYS CA . 18779 1 3 . 1 1 3 3 LYS CB C 13 32.900 0.125 . 1 . . . . 43 LYS CB . 18779 1 4 . 1 1 4 4 GLU H H 1 8.638 0.005 . 1 . . . . 44 GLU H . 18779 1 5 . 1 1 4 4 GLU C C 13 176.380 0.064 . 1 . . . . 44 GLU C . 18779 1 6 . 1 1 4 4 GLU CA C 13 56.805 0.088 . 1 . . . . 44 GLU CA . 18779 1 7 . 1 1 4 4 GLU CB C 13 30.393 0.125 . 1 . . . . 44 GLU CB . 18779 1 8 . 1 1 4 4 GLU N N 15 122.352 0.051 . 1 . . . . 44 GLU N . 18779 1 9 . 1 1 5 5 GLN H H 1 8.681 0.003 . 1 . . . . 45 GLN H . 18779 1 10 . 1 1 5 5 GLN C C 13 175.691 0.064 . 1 . . . . 45 GLN C . 18779 1 11 . 1 1 5 5 GLN CA C 13 55.560 0.088 . 1 . . . . 45 GLN CA . 18779 1 12 . 1 1 5 5 GLN CB C 13 30.253 0.125 . 1 . . . . 45 GLN CB . 18779 1 13 . 1 1 5 5 GLN N N 15 121.657 0.031 . 1 . . . . 45 GLN N . 18779 1 14 . 1 1 6 6 THR H H 1 8.159 0.005 . 1 . . . . 46 THR H . 18779 1 15 . 1 1 6 6 THR C C 13 173.682 0.064 . 1 . . . . 46 THR C . 18779 1 16 . 1 1 6 6 THR CA C 13 61.781 0.088 . 1 . . . . 46 THR CA . 18779 1 17 . 1 1 6 6 THR CB C 13 70.118 0.125 . 1 . . . . 46 THR CB . 18779 1 18 . 1 1 6 6 THR N N 15 115.689 0.049 . 1 . . . . 46 THR N . 18779 1 19 . 1 1 7 7 SER H H 1 7.494 0.007 . 1 . . . . 47 SER H . 18779 1 20 . 1 1 7 7 SER C C 13 171.459 0.064 . 1 . . . . 47 SER C . 18779 1 21 . 1 1 7 7 SER CA C 13 57.725 0.088 . 1 . . . . 47 SER CA . 18779 1 22 . 1 1 7 7 SER CB C 13 65.137 0.125 . 1 . . . . 47 SER CB . 18779 1 23 . 1 1 7 7 SER N N 15 117.695 0.037 . 1 . . . . 47 SER N . 18779 1 24 . 1 1 8 8 PHE H H 1 8.576 0.005 . 1 . . . . 48 PHE H . 18779 1 25 . 1 1 8 8 PHE C C 13 176.498 0.064 . 1 . . . . 48 PHE C . 18779 1 26 . 1 1 8 8 PHE CA C 13 55.721 0.088 . 1 . . . . 48 PHE CA . 18779 1 27 . 1 1 8 8 PHE CB C 13 38.785 0.125 . 1 . . . . 48 PHE CB . 18779 1 28 . 1 1 8 8 PHE N N 15 122.285 0.020 . 1 . . . . 48 PHE N . 18779 1 29 . 1 1 9 9 ASN H H 1 7.780 0.003 . 1 . . . . 49 ASN H . 18779 1 30 . 1 1 9 9 ASN C C 13 176.279 0.064 . 1 . . . . 49 ASN C . 18779 1 31 . 1 1 9 9 ASN CA C 13 53.229 0.088 . 1 . . . . 49 ASN CA . 18779 1 32 . 1 1 9 9 ASN CB C 13 39.173 0.125 . 1 . . . . 49 ASN CB . 18779 1 33 . 1 1 9 9 ASN N N 15 113.210 0.021 . 1 . . . . 49 ASN N . 18779 1 34 . 1 1 10 10 ASN H H 1 8.378 0.009 . 1 . . . . 50 ASN H . 18779 1 35 . 1 1 10 10 ASN C C 13 173.724 0.064 . 1 . . . . 50 ASN C . 18779 1 36 . 1 1 10 10 ASN CA C 13 50.209 0.088 . 1 . . . . 50 ASN CA . 18779 1 37 . 1 1 10 10 ASN CB C 13 39.088 0.125 . 1 . . . . 50 ASN CB . 18779 1 38 . 1 1 10 10 ASN N N 15 118.912 0.023 . 1 . . . . 50 ASN N . 18779 1 39 . 1 1 11 11 PRO C C 13 175.518 0.064 . 1 . . . . 51 PRO C . 18779 1 40 . 1 1 11 11 PRO CA C 13 61.340 0.088 . 1 . . . . 51 PRO CA . 18779 1 41 . 1 1 11 11 PRO CB C 13 32.938 0.125 . 1 . . . . 51 PRO CB . 18779 1 42 . 1 1 12 12 GLU H H 1 8.637 0.004 . 1 . . . . 52 GLU H . 18779 1 43 . 1 1 12 12 GLU C C 13 174.089 0.064 . 1 . . . . 52 GLU C . 18779 1 44 . 1 1 12 12 GLU CA C 13 54.173 0.088 . 1 . . . . 52 GLU CA . 18779 1 45 . 1 1 12 12 GLU CB C 13 30.771 0.125 . 1 . . . . 52 GLU CB . 18779 1 46 . 1 1 12 12 GLU N N 15 122.727 0.029 . 1 . . . . 52 GLU N . 18779 1 47 . 1 1 13 13 PRO C C 13 176.587 0.064 . 1 . . . . 53 PRO C . 18779 1 48 . 1 1 13 13 PRO CA C 13 63.692 0.088 . 1 . . . . 53 PRO CA . 18779 1 49 . 1 1 13 13 PRO CB C 13 32.405 0.125 . 1 . . . . 53 PRO CB . 18779 1 50 . 1 1 14 14 MET H H 1 8.830 0.009 . 1 . . . . 54 MET H . 18779 1 51 . 1 1 14 14 MET C C 13 178.909 0.064 . 1 . . . . 54 MET C . 18779 1 52 . 1 1 14 14 MET CA C 13 56.707 0.088 . 1 . . . . 54 MET CA . 18779 1 53 . 1 1 14 14 MET CB C 13 33.234 0.125 . 1 . . . . 54 MET CB . 18779 1 54 . 1 1 14 14 MET N N 15 119.650 0.042 . 1 . . . . 54 MET N . 18779 1 55 . 1 1 15 15 THR H H 1 10.835 0.010 . 1 . . . . 55 THR H . 18779 1 56 . 1 1 15 15 THR C C 13 174.863 0.064 . 1 . . . . 55 THR C . 18779 1 57 . 1 1 15 15 THR CA C 13 61.923 0.088 . 1 . . . . 55 THR CA . 18779 1 58 . 1 1 15 15 THR CB C 13 70.999 0.125 . 1 . . . . 55 THR CB . 18779 1 59 . 1 1 15 15 THR N N 15 113.716 0.093 . 1 . . . . 55 THR N . 18779 1 60 . 1 1 16 16 GLY H H 1 8.581 0.008 . 1 . . . . 56 GLY H . 18779 1 61 . 1 1 16 16 GLY C C 13 173.147 0.064 . 1 . . . . 56 GLY C . 18779 1 62 . 1 1 16 16 GLY CA C 13 45.475 0.088 . 1 . . . . 56 GLY CA . 18779 1 63 . 1 1 16 16 GLY N N 15 110.122 0.053 . 1 . . . . 56 GLY N . 18779 1 64 . 1 1 17 17 PHE H H 1 7.924 0.007 . 1 . . . . 57 PHE H . 18779 1 65 . 1 1 17 17 PHE C C 13 177.451 0.064 . 1 . . . . 57 PHE C . 18779 1 66 . 1 1 17 17 PHE CA C 13 57.304 0.088 . 1 . . . . 57 PHE CA . 18779 1 67 . 1 1 17 17 PHE CB C 13 40.214 0.125 . 1 . . . . 57 PHE CB . 18779 1 68 . 1 1 17 17 PHE N N 15 114.968 0.020 . 1 . . . . 57 PHE N . 18779 1 69 . 1 1 18 18 GLU H H 1 10.523 0.008 . 1 . . . . 58 GLU H . 18779 1 70 . 1 1 18 18 GLU C C 13 175.158 0.064 . 1 . . . . 58 GLU C . 18779 1 71 . 1 1 18 18 GLU CA C 13 61.801 0.088 . 1 . . . . 58 GLU CA . 18779 1 72 . 1 1 18 18 GLU CB C 13 29.191 0.125 . 1 . . . . 58 GLU CB . 18779 1 73 . 1 1 18 18 GLU N N 15 121.286 0.028 . 1 . . . . 58 GLU N . 18779 1 74 . 1 1 19 19 HIS H H 1 6.870 0.006 . 1 . . . . 59 HIS H . 18779 1 75 . 1 1 19 19 HIS C C 13 173.962 0.064 . 1 . . . . 59 HIS C . 18779 1 76 . 1 1 19 19 HIS CA C 13 53.373 0.088 . 1 . . . . 59 HIS CA . 18779 1 77 . 1 1 19 19 HIS CB C 13 33.810 0.125 . 1 . . . . 59 HIS CB . 18779 1 78 . 1 1 19 19 HIS N N 15 109.509 0.029 . 1 . . . . 59 HIS N . 18779 1 79 . 1 1 20 20 THR H H 1 8.602 0.004 . 1 . . . . 60 THR H . 18779 1 80 . 1 1 20 20 THR C C 13 172.529 0.064 . 1 . . . . 60 THR C . 18779 1 81 . 1 1 20 20 THR CA C 13 59.292 0.088 . 1 . . . . 60 THR CA . 18779 1 82 . 1 1 20 20 THR CB C 13 72.181 0.125 . 1 . . . . 60 THR CB . 18779 1 83 . 1 1 20 20 THR N N 15 111.734 0.056 . 1 . . . . 60 THR N . 18779 1 84 . 1 1 21 21 VAL H H 1 8.289 0.011 . 1 . . . . 61 VAL H . 18779 1 85 . 1 1 21 21 VAL C C 13 175.022 0.064 . 1 . . . . 61 VAL C . 18779 1 86 . 1 1 21 21 VAL CA C 13 60.918 0.088 . 1 . . . . 61 VAL CA . 18779 1 87 . 1 1 21 21 VAL CB C 13 34.623 0.125 . 1 . . . . 61 VAL CB . 18779 1 88 . 1 1 21 21 VAL N N 15 118.964 0.042 . 1 . . . . 61 VAL N . 18779 1 89 . 1 1 22 22 THR H H 1 8.810 0.010 . 1 . . . . 62 THR H . 18779 1 90 . 1 1 22 22 THR C C 13 173.669 0.064 . 1 . . . . 62 THR C . 18779 1 91 . 1 1 22 22 THR CA C 13 62.821 0.088 . 1 . . . . 62 THR CA . 18779 1 92 . 1 1 22 22 THR CB C 13 68.958 0.125 . 1 . . . . 62 THR CB . 18779 1 93 . 1 1 22 22 THR N N 15 123.259 0.054 . 1 . . . . 62 THR N . 18779 1 94 . 1 1 23 23 PHE H H 1 9.472 0.010 . 1 . . . . 63 PHE H . 18779 1 95 . 1 1 23 23 PHE C C 13 173.854 0.064 . 1 . . . . 63 PHE C . 18779 1 96 . 1 1 23 23 PHE CA C 13 56.870 0.088 . 1 . . . . 63 PHE CA . 18779 1 97 . 1 1 23 23 PHE CB C 13 43.333 0.125 . 1 . . . . 63 PHE CB . 18779 1 98 . 1 1 23 23 PHE N N 15 126.293 0.025 . 1 . . . . 63 PHE N . 18779 1 99 . 1 1 24 24 ASP H H 1 9.136 0.009 . 1 . . . . 64 ASP H . 18779 1 100 . 1 1 24 24 ASP C C 13 174.735 0.064 . 1 . . . . 64 ASP C . 18779 1 101 . 1 1 24 24 ASP CA C 13 53.489 0.088 . 1 . . . . 64 ASP CA . 18779 1 102 . 1 1 24 24 ASP CB C 13 44.576 0.125 . 1 . . . . 64 ASP CB . 18779 1 103 . 1 1 24 24 ASP N N 15 121.389 0.027 . 1 . . . . 64 ASP N . 18779 1 104 . 1 1 25 25 PHE H H 1 9.245 0.012 . 1 . . . . 65 PHE H . 18779 1 105 . 1 1 25 25 PHE C C 13 175.599 0.064 . 1 . . . . 65 PHE C . 18779 1 106 . 1 1 25 25 PHE CA C 13 55.074 0.088 . 1 . . . . 65 PHE CA . 18779 1 107 . 1 1 25 25 PHE CB C 13 38.973 0.125 . 1 . . . . 65 PHE CB . 18779 1 108 . 1 1 25 25 PHE N N 15 126.677 0.026 . 1 . . . . 65 PHE N . 18779 1 109 . 1 1 26 26 GLN H H 1 8.834 0.004 . 1 . . . . 66 GLN H . 18779 1 110 . 1 1 26 26 GLN C C 13 175.892 0.064 . 1 . . . . 66 GLN C . 18779 1 111 . 1 1 26 26 GLN CA C 13 56.527 0.088 . 1 . . . . 66 GLN CA . 18779 1 112 . 1 1 26 26 GLN CB C 13 27.900 0.125 . 1 . . . . 66 GLN CB . 18779 1 113 . 1 1 26 26 GLN N N 15 120.571 0.025 . 1 . . . . 66 GLN N . 18779 1 114 . 1 1 27 27 GLY H H 1 9.423 0.008 . 1 . . . . 67 GLY H . 18779 1 115 . 1 1 27 27 GLY C C 13 175.358 0.064 . 1 . . . . 67 GLY C . 18779 1 116 . 1 1 27 27 GLY CA C 13 45.373 0.088 . 1 . . . . 67 GLY CA . 18779 1 117 . 1 1 27 27 GLY N N 15 108.471 0.020 . 1 . . . . 67 GLY N . 18779 1 118 . 1 1 28 28 THR H H 1 7.733 0.005 . 1 . . . . 68 THR H . 18779 1 119 . 1 1 28 28 THR C C 13 173.615 0.064 . 1 . . . . 68 THR C . 18779 1 120 . 1 1 28 28 THR CA C 13 62.444 0.100 . 1 . . . . 68 THR CA . 18779 1 121 . 1 1 28 28 THR CB C 13 69.991 0.125 . 1 . . . . 68 THR CB . 18779 1 122 . 1 1 28 28 THR N N 15 118.480 0.032 . 1 . . . . 68 THR N . 18779 1 123 . 1 1 29 29 LYS H H 1 8.819 0.008 . 1 . . . . 69 LYS H . 18779 1 124 . 1 1 29 29 LYS C C 13 176.704 0.064 . 1 . . . . 69 LYS C . 18779 1 125 . 1 1 29 29 LYS CA C 13 55.730 0.088 . 1 . . . . 69 LYS CA . 18779 1 126 . 1 1 29 29 LYS CB C 13 34.272 0.125 . 1 . . . . 69 LYS CB . 18779 1 127 . 1 1 29 29 LYS N N 15 127.886 0.062 . 1 . . . . 69 LYS N . 18779 1 128 . 1 1 30 30 MET H H 1 9.085 0.009 . 1 . . . . 70 MET H . 18779 1 129 . 1 1 30 30 MET C C 13 174.172 0.064 . 1 . . . . 70 MET C . 18779 1 130 . 1 1 30 30 MET CA C 13 55.544 0.098 . 1 . . . . 70 MET CA . 18779 1 131 . 1 1 30 30 MET CB C 13 38.252 0.125 . 1 . . . . 70 MET CB . 18779 1 132 . 1 1 30 30 MET N N 15 119.884 0.041 . 1 . . . . 70 MET N . 18779 1 133 . 1 1 31 31 VAL H H 1 8.791 0.008 . 1 . . . . 71 VAL H . 18779 1 134 . 1 1 31 31 VAL C C 13 175.452 0.064 . 1 . . . . 71 VAL C . 18779 1 135 . 1 1 31 31 VAL CA C 13 62.223 0.088 . 1 . . . . 71 VAL CA . 18779 1 136 . 1 1 31 31 VAL CB C 13 33.090 0.125 . 1 . . . . 71 VAL CB . 18779 1 137 . 1 1 31 31 VAL N N 15 125.447 0.034 . 1 . . . . 71 VAL N . 18779 1 138 . 1 1 32 32 ILE H H 1 8.739 0.010 . 1 . . . . 72 ILE H . 18779 1 139 . 1 1 32 32 ILE C C 13 175.018 0.064 . 1 . . . . 72 ILE C . 18779 1 140 . 1 1 32 32 ILE CA C 13 58.789 0.088 . 1 . . . . 72 ILE CA . 18779 1 141 . 1 1 32 32 ILE CB C 13 41.807 0.125 . 1 . . . . 72 ILE CB . 18779 1 142 . 1 1 32 32 ILE N N 15 127.358 0.038 . 1 . . . . 72 ILE N . 18779 1 143 . 1 1 33 33 PRO C C 13 179.435 0.064 . 1 . . . . 73 PRO C . 18779 1 144 . 1 1 33 33 PRO CA C 13 63.234 0.088 . 1 . . . . 73 PRO CA . 18779 1 145 . 1 1 33 33 PRO CB C 13 32.138 0.125 . 1 . . . . 73 PRO CB . 18779 1 146 . 1 1 34 34 TYR H H 1 9.535 0.010 . 1 . . . . 74 TYR H . 18779 1 147 . 1 1 34 34 TYR C C 13 175.501 0.064 . 1 . . . . 74 TYR C . 18779 1 148 . 1 1 34 34 TYR CA C 13 59.351 0.088 . 1 . . . . 74 TYR CA . 18779 1 149 . 1 1 34 34 TYR CB C 13 37.548 0.125 . 1 . . . . 74 TYR CB . 18779 1 150 . 1 1 34 34 TYR N N 15 126.430 0.064 . 1 . . . . 74 TYR N . 18779 1 151 . 1 1 35 35 GLY H H 1 8.591 0.005 . 1 . . . . 75 GLY H . 18779 1 152 . 1 1 35 35 GLY C C 13 175.499 0.064 . 1 . . . . 75 GLY C . 18779 1 153 . 1 1 35 35 GLY CA C 13 46.317 0.088 . 1 . . . . 75 GLY CA . 18779 1 154 . 1 1 35 35 GLY N N 15 107.473 0.020 . 1 . . . . 75 GLY N . 18779 1 155 . 1 1 36 36 TYR H H 1 8.026 0.009 . 1 . . . . 76 TYR H . 18779 1 156 . 1 1 36 36 TYR C C 13 174.593 0.064 . 1 . . . . 76 TYR C . 18779 1 157 . 1 1 36 36 TYR CA C 13 61.377 0.088 . 1 . . . . 76 TYR CA . 18779 1 158 . 1 1 36 36 TYR CB C 13 37.853 0.125 . 1 . . . . 76 TYR CB . 18779 1 159 . 1 1 36 36 TYR N N 15 119.422 0.029 . 1 . . . . 76 TYR N . 18779 1 160 . 1 1 37 37 LEU H H 1 7.858 0.010 . 1 . . . . 77 LEU H . 18779 1 161 . 1 1 37 37 LEU C C 13 177.991 0.064 . 1 . . . . 77 LEU C . 18779 1 162 . 1 1 37 37 LEU CA C 13 53.078 0.092 . 1 . . . . 77 LEU CA . 18779 1 163 . 1 1 37 37 LEU CB C 13 40.858 0.125 . 1 . . . . 77 LEU CB . 18779 1 164 . 1 1 37 37 LEU N N 15 119.381 0.025 . 1 . . . . 77 LEU N . 18779 1 165 . 1 1 38 38 ALA H H 1 9.203 0.007 . 1 . . . . 78 ALA H . 18779 1 166 . 1 1 38 38 ALA C C 13 177.981 0.064 . 1 . . . . 78 ALA C . 18779 1 167 . 1 1 38 38 ALA CA C 13 55.457 0.088 . 1 . . . . 78 ALA CA . 18779 1 168 . 1 1 38 38 ALA CB C 13 19.640 0.125 . 1 . . . . 78 ALA CB . 18779 1 169 . 1 1 38 38 ALA N N 15 122.162 0.050 . 1 . . . . 78 ALA N . 18779 1 170 . 1 1 39 39 ARG H H 1 9.023 0.009 . 1 . . . . 79 ARG H . 18779 1 171 . 1 1 39 39 ARG C C 13 177.862 0.064 . 1 . . . . 79 ARG C . 18779 1 172 . 1 1 39 39 ARG CA C 13 58.286 0.088 . 1 . . . . 79 ARG CA . 18779 1 173 . 1 1 39 39 ARG CB C 13 29.534 0.125 . 1 . . . . 79 ARG CB . 18779 1 174 . 1 1 39 39 ARG N N 15 111.751 0.054 . 1 . . . . 79 ARG N . 18779 1 175 . 1 1 40 40 TYR H H 1 8.647 0.005 . 1 . . . . 80 TYR H . 18779 1 176 . 1 1 40 40 TYR C C 13 173.961 0.064 . 1 . . . . 80 TYR C . 18779 1 177 . 1 1 40 40 TYR CA C 13 55.616 0.088 . 1 . . . . 80 TYR CA . 18779 1 178 . 1 1 40 40 TYR CB C 13 37.554 0.125 . 1 . . . . 80 TYR CB . 18779 1 179 . 1 1 40 40 TYR N N 15 123.685 0.040 . 1 . . . . 80 TYR N . 18779 1 180 . 1 1 41 41 THR H H 1 6.659 0.008 . 1 . . . . 81 THR H . 18779 1 181 . 1 1 41 41 THR C C 13 174.441 0.064 . 1 . . . . 81 THR C . 18779 1 182 . 1 1 41 41 THR CA C 13 58.470 0.088 . 1 . . . . 81 THR CA . 18779 1 183 . 1 1 41 41 THR CB C 13 74.381 0.125 . 1 . . . . 81 THR CB . 18779 1 184 . 1 1 41 41 THR N N 15 105.012 0.030 . 1 . . . . 81 THR N . 18779 1 185 . 1 1 42 42 GLN H H 1 8.677 0.006 . 1 . . . . 82 GLN H . 18779 1 186 . 1 1 42 42 GLN C C 13 175.367 0.064 . 1 . . . . 82 GLN C . 18779 1 187 . 1 1 42 42 GLN CA C 13 53.621 0.088 . 1 . . . . 82 GLN CA . 18779 1 188 . 1 1 42 42 GLN CB C 13 33.027 0.128 . 1 . . . . 82 GLN CB . 18779 1 189 . 1 1 42 42 GLN N N 15 115.965 0.023 . 1 . . . . 82 GLN N . 18779 1 190 . 1 1 43 43 ASP H H 1 8.582 0.006 . 1 . . . . 83 ASP H . 18779 1 191 . 1 1 43 43 ASP C C 13 176.936 0.064 . 1 . . . . 83 ASP C . 18779 1 192 . 1 1 43 43 ASP CA C 13 54.027 0.088 . 1 . . . . 83 ASP CA . 18779 1 193 . 1 1 43 43 ASP CB C 13 38.351 0.125 . 1 . . . . 83 ASP CB . 18779 1 194 . 1 1 43 43 ASP N N 15 117.775 0.047 . 1 . . . . 83 ASP N . 18779 1 195 . 1 1 44 44 ASN H H 1 9.102 0.008 . 1 . . . . 84 ASN H . 18779 1 196 . 1 1 44 44 ASN C C 13 173.425 0.064 . 1 . . . . 84 ASN C . 18779 1 197 . 1 1 44 44 ASN CA C 13 54.497 0.088 . 1 . . . . 84 ASN CA . 18779 1 198 . 1 1 44 44 ASN CB C 13 37.228 0.125 . 1 . . . . 84 ASN CB . 18779 1 199 . 1 1 44 44 ASN N N 15 120.481 0.020 . 1 . . . . 84 ASN N . 18779 1 200 . 1 1 45 45 ALA H H 1 8.570 0.005 . 1 . . . . 85 ALA H . 18779 1 201 . 1 1 45 45 ALA C C 13 176.926 0.064 . 1 . . . . 85 ALA C . 18779 1 202 . 1 1 45 45 ALA CA C 13 53.128 0.088 . 1 . . . . 85 ALA CA . 18779 1 203 . 1 1 45 45 ALA CB C 13 16.171 0.125 . 1 . . . . 85 ALA CB . 18779 1 204 . 1 1 45 45 ALA N N 15 113.767 0.020 . 1 . . . . 85 ALA N . 18779 1 205 . 1 1 46 46 THR H H 1 7.734 0.008 . 1 . . . . 86 THR H . 18779 1 206 . 1 1 46 46 THR C C 13 175.190 0.064 . 1 . . . . 86 THR C . 18779 1 207 . 1 1 46 46 THR CA C 13 63.085 0.088 . 1 . . . . 86 THR CA . 18779 1 208 . 1 1 46 46 THR CB C 13 70.797 0.125 . 1 . . . . 86 THR CB . 18779 1 209 . 1 1 46 46 THR N N 15 106.852 0.053 . 1 . . . . 86 THR N . 18779 1 210 . 1 1 47 47 LYS H H 1 7.688 0.006 . 1 . . . . 87 LYS H . 18779 1 211 . 1 1 47 47 LYS C C 13 174.813 0.064 . 1 . . . . 87 LYS C . 18779 1 212 . 1 1 47 47 LYS CA C 13 56.024 0.088 . 1 . . . . 87 LYS CA . 18779 1 213 . 1 1 47 47 LYS CB C 13 34.252 0.125 . 1 . . . . 87 LYS CB . 18779 1 214 . 1 1 47 47 LYS N N 15 121.691 0.027 . 1 . . . . 87 LYS N . 18779 1 215 . 1 1 48 48 TRP H H 1 8.786 0.008 . 1 . . . . 88 TRP H . 18779 1 216 . 1 1 48 48 TRP C C 13 174.821 0.064 . 1 . . . . 88 TRP C . 18779 1 217 . 1 1 48 48 TRP CA C 13 57.349 0.088 . 1 . . . . 88 TRP CA . 18779 1 218 . 1 1 48 48 TRP CB C 13 30.834 0.125 . 1 . . . . 88 TRP CB . 18779 1 219 . 1 1 48 48 TRP N N 15 123.843 0.020 . 1 . . . . 88 TRP N . 18779 1 220 . 1 1 49 49 LEU H H 1 7.725 0.010 . 1 . . . . 89 LEU H . 18779 1 221 . 1 1 49 49 LEU C C 13 173.502 0.064 . 1 . . . . 89 LEU C . 18779 1 222 . 1 1 49 49 LEU CA C 13 56.161 0.088 . 1 . . . . 89 LEU CA . 18779 1 223 . 1 1 49 49 LEU CB C 13 42.790 0.125 . 1 . . . . 89 LEU CB . 18779 1 224 . 1 1 49 49 LEU N N 15 123.140 0.033 . 1 . . . . 89 LEU N . 18779 1 225 . 1 1 50 50 SER H H 1 8.308 0.009 . 1 . . . . 90 SER H . 18779 1 226 . 1 1 50 50 SER C C 13 174.290 0.064 . 1 . . . . 90 SER C . 18779 1 227 . 1 1 50 50 SER CA C 13 54.754 0.088 . 1 . . . . 90 SER CA . 18779 1 228 . 1 1 50 50 SER CB C 13 68.332 0.125 . 1 . . . . 90 SER CB . 18779 1 229 . 1 1 50 50 SER N N 15 115.264 0.038 . 1 . . . . 90 SER N . 18779 1 230 . 1 1 51 51 ASP H H 1 8.981 0.008 . 1 . . . . 91 ASP H . 18779 1 231 . 1 1 51 51 ASP C C 13 176.659 0.064 . 1 . . . . 91 ASP C . 18779 1 232 . 1 1 51 51 ASP CA C 13 55.811 0.088 . 1 . . . . 91 ASP CA . 18779 1 233 . 1 1 51 51 ASP CB C 13 41.076 0.125 . 1 . . . . 91 ASP CB . 18779 1 234 . 1 1 51 51 ASP N N 15 122.478 0.034 . 1 . . . . 91 ASP N . 18779 1 235 . 1 1 52 52 THR H H 1 9.151 0.008 . 1 . . . . 92 THR H . 18779 1 236 . 1 1 52 52 THR C C 13 172.326 0.064 . 1 . . . . 92 THR C . 18779 1 237 . 1 1 52 52 THR CA C 13 60.127 0.088 . 1 . . . . 92 THR CA . 18779 1 238 . 1 1 52 52 THR CB C 13 70.605 0.125 . 1 . . . . 92 THR CB . 18779 1 239 . 1 1 52 52 THR N N 15 123.574 0.054 . 1 . . . . 92 THR N . 18779 1 240 . 1 1 53 53 PRO C C 13 178.207 0.064 . 1 . . . . 93 PRO C . 18779 1 241 . 1 1 54 54 GLY H H 1 8.038 0.006 . 1 . . . . 94 GLY H . 18779 1 242 . 1 1 54 54 GLY C C 13 173.225 0.064 . 1 . . . . 94 GLY C . 18779 1 243 . 1 1 54 54 GLY CA C 13 45.234 0.088 . 1 . . . . 94 GLY CA . 18779 1 244 . 1 1 54 54 GLY N N 15 104.963 0.022 . 1 . . . . 94 GLY N . 18779 1 245 . 1 1 55 55 GLN H H 1 7.834 0.007 . 1 . . . . 95 GLN H . 18779 1 246 . 1 1 55 55 GLN C C 13 175.303 0.064 . 1 . . . . 95 GLN C . 18779 1 247 . 1 1 55 55 GLN CA C 13 53.948 0.088 . 1 . . . . 95 GLN CA . 18779 1 248 . 1 1 55 55 GLN CB C 13 31.287 0.125 . 1 . . . . 95 GLN CB . 18779 1 249 . 1 1 55 55 GLN N N 15 120.233 0.026 . 1 . . . . 95 GLN N . 18779 1 250 . 1 1 56 56 ASP H H 1 8.664 0.007 . 1 . . . . 96 ASP H . 18779 1 251 . 1 1 56 56 ASP C C 13 175.496 0.064 . 1 . . . . 96 ASP C . 18779 1 252 . 1 1 56 56 ASP CA C 13 56.520 0.088 . 1 . . . . 96 ASP CA . 18779 1 253 . 1 1 56 56 ASP CB C 13 41.023 0.125 . 1 . . . . 96 ASP CB . 18779 1 254 . 1 1 56 56 ASP N N 15 125.357 0.068 . 1 . . . . 96 ASP N . 18779 1 255 . 1 1 57 57 ALA H H 1 7.422 0.009 . 1 . . . . 97 ALA H . 18779 1 256 . 1 1 57 57 ALA C C 13 176.686 0.064 . 1 . . . . 97 ALA C . 18779 1 257 . 1 1 57 57 ALA CA C 13 51.092 0.088 . 1 . . . . 97 ALA CA . 18779 1 258 . 1 1 57 57 ALA CB C 13 22.813 0.125 . 1 . . . . 97 ALA CB . 18779 1 259 . 1 1 57 57 ALA N N 15 116.224 0.045 . 1 . . . . 97 ALA N . 18779 1 260 . 1 1 58 58 TYR H H 1 7.407 0.006 . 1 . . . . 98 TYR H . 18779 1 261 . 1 1 58 58 TYR C C 13 176.076 0.064 . 1 . . . . 98 TYR C . 18779 1 262 . 1 1 58 58 TYR CA C 13 58.140 0.088 . 1 . . . . 98 TYR CA . 18779 1 263 . 1 1 58 58 TYR CB C 13 38.958 0.125 . 1 . . . . 98 TYR CB . 18779 1 264 . 1 1 58 58 TYR N N 15 117.842 0.034 . 1 . . . . 98 TYR N . 18779 1 265 . 1 1 59 59 SER H H 1 9.290 0.008 . 1 . . . . 99 SER H . 18779 1 266 . 1 1 59 59 SER C C 13 174.766 0.064 . 1 . . . . 99 SER C . 18779 1 267 . 1 1 59 59 SER CA C 13 58.336 0.088 . 1 . . . . 99 SER CA . 18779 1 268 . 1 1 59 59 SER CB C 13 62.718 0.125 . 1 . . . . 99 SER CB . 18779 1 269 . 1 1 59 59 SER N N 15 123.176 0.044 . 1 . . . . 99 SER N . 18779 1 270 . 1 1 60 60 ILE H H 1 8.248 0.012 . 1 . . . . 100 ILE H . 18779 1 271 . 1 1 60 60 ILE C C 13 174.229 0.064 . 1 . . . . 100 ILE C . 18779 1 272 . 1 1 60 60 ILE CA C 13 59.816 0.088 . 1 . . . . 100 ILE CA . 18779 1 273 . 1 1 60 60 ILE CB C 13 43.620 0.125 . 1 . . . . 100 ILE CB . 18779 1 274 . 1 1 60 60 ILE N N 15 122.960 0.020 . 1 . . . . 100 ILE N . 18779 1 275 . 1 1 61 61 ASN C C 13 174.712 0.064 . 1 . . . . 101 ASN C . 18779 1 276 . 1 1 61 61 ASN CA C 13 53.404 0.088 . 1 . . . . 101 ASN CA . 18779 1 277 . 1 1 61 61 ASN CB C 13 40.513 0.125 . 1 . . . . 101 ASN CB . 18779 1 278 . 1 1 62 62 LEU H H 1 7.510 0.005 . 1 . . . . 102 LEU H . 18779 1 279 . 1 1 62 62 LEU C C 13 174.079 0.064 . 1 . . . . 102 LEU C . 18779 1 280 . 1 1 62 62 LEU CA C 13 55.353 0.088 . 1 . . . . 102 LEU CA . 18779 1 281 . 1 1 62 62 LEU CB C 13 44.882 0.125 . 1 . . . . 102 LEU CB . 18779 1 282 . 1 1 62 62 LEU N N 15 120.840 0.024 . 1 . . . . 102 LEU N . 18779 1 283 . 1 1 63 63 ILE H H 1 9.088 0.008 . 1 . . . . 103 ILE H . 18779 1 284 . 1 1 63 63 ILE C C 13 171.857 0.064 . 1 . . . . 103 ILE C . 18779 1 285 . 1 1 63 63 ILE CA C 13 59.216 0.088 . 1 . . . . 103 ILE CA . 18779 1 286 . 1 1 63 63 ILE CB C 13 42.729 0.125 . 1 . . . . 103 ILE CB . 18779 1 287 . 1 1 63 63 ILE N N 15 122.291 0.049 . 1 . . . . 103 ILE N . 18779 1 288 . 1 1 64 64 GLU H H 1 7.779 0.007 . 1 . . . . 104 GLU H . 18779 1 289 . 1 1 64 64 GLU C C 13 175.867 0.064 . 1 . . . . 104 GLU C . 18779 1 290 . 1 1 64 64 GLU CA C 13 54.591 0.088 . 1 . . . . 104 GLU CA . 18779 1 291 . 1 1 64 64 GLU CB C 13 31.304 0.125 . 1 . . . . 104 GLU CB . 18779 1 292 . 1 1 64 64 GLU N N 15 125.943 0.042 . 1 . . . . 104 GLU N . 18779 1 293 . 1 1 65 65 ILE H H 1 8.814 0.012 . 1 . . . . 105 ILE H . 18779 1 294 . 1 1 65 65 ILE C C 13 175.843 0.064 . 1 . . . . 105 ILE C . 18779 1 295 . 1 1 65 65 ILE CA C 13 59.127 0.088 . 1 . . . . 105 ILE CA . 18779 1 296 . 1 1 65 65 ILE CB C 13 39.981 0.125 . 1 . . . . 105 ILE CB . 18779 1 297 . 1 1 65 65 ILE N N 15 119.090 0.044 . 1 . . . . 105 ILE N . 18779 1 298 . 1 1 66 66 SER H H 1 8.655 0.009 . 1 . . . . 106 SER H . 18779 1 299 . 1 1 66 66 SER C C 13 174.154 0.064 . 1 . . . . 106 SER C . 18779 1 300 . 1 1 66 66 SER CA C 13 57.850 0.088 . 1 . . . . 106 SER CA . 18779 1 301 . 1 1 66 66 SER CB C 13 64.593 0.125 . 1 . . . . 106 SER CB . 18779 1 302 . 1 1 66 66 SER N N 15 118.407 0.058 . 1 . . . . 106 SER N . 18779 1 303 . 1 1 67 67 VAL H H 1 9.054 0.007 . 1 . . . . 107 VAL H . 18779 1 304 . 1 1 67 67 VAL C C 13 173.331 0.064 . 1 . . . . 107 VAL C . 18779 1 305 . 1 1 67 67 VAL CA C 13 58.077 0.095 . 1 . . . . 107 VAL CA . 18779 1 306 . 1 1 67 67 VAL CB C 13 34.735 0.125 . 1 . . . . 107 VAL CB . 18779 1 307 . 1 1 67 67 VAL N N 15 115.991 0.020 . 1 . . . . 107 VAL N . 18779 1 308 . 1 1 68 68 TYR H H 1 9.068 0.010 . 1 . . . . 108 TYR H . 18779 1 309 . 1 1 68 68 TYR C C 13 174.171 0.064 . 1 . . . . 108 TYR C . 18779 1 310 . 1 1 68 68 TYR CA C 13 55.552 0.088 . 1 . . . . 108 TYR CA . 18779 1 311 . 1 1 68 68 TYR CB C 13 40.358 0.125 . 1 . . . . 108 TYR CB . 18779 1 312 . 1 1 68 68 TYR N N 15 125.184 0.048 . 1 . . . . 108 TYR N . 18779 1 313 . 1 1 69 69 TYR H H 1 7.143 0.006 . 1 . . . . 109 TYR H . 18779 1 314 . 1 1 69 69 TYR C C 13 172.586 0.064 . 1 . . . . 109 TYR C . 18779 1 315 . 1 1 69 69 TYR CA C 13 53.766 0.088 . 1 . . . . 109 TYR CA . 18779 1 316 . 1 1 69 69 TYR CB C 13 41.646 0.125 . 1 . . . . 109 TYR CB . 18779 1 317 . 1 1 69 69 TYR N N 15 123.934 0.025 . 1 . . . . 109 TYR N . 18779 1 318 . 1 1 70 70 LYS H H 1 8.531 0.007 . 1 . . . . 110 LYS H . 18779 1 319 . 1 1 70 70 LYS C C 13 174.263 0.064 . 1 . . . . 110 LYS C . 18779 1 320 . 1 1 70 70 LYS CA C 13 54.272 0.088 . 1 . . . . 110 LYS CA . 18779 1 321 . 1 1 70 70 LYS CB C 13 35.455 0.125 . 1 . . . . 110 LYS CB . 18779 1 322 . 1 1 70 70 LYS N N 15 117.676 0.048 . 1 . . . . 110 LYS N . 18779 1 323 . 1 1 71 71 LYS H H 1 8.692 0.004 . 1 . . . . 111 LYS H . 18779 1 324 . 1 1 71 71 LYS C C 13 176.322 0.064 . 1 . . . . 111 LYS C . 18779 1 325 . 1 1 71 71 LYS CA C 13 56.504 0.088 . 1 . . . . 111 LYS CA . 18779 1 326 . 1 1 71 71 LYS CB C 13 32.028 0.125 . 1 . . . . 111 LYS CB . 18779 1 327 . 1 1 71 71 LYS N N 15 126.714 0.031 . 1 . . . . 111 LYS N . 18779 1 328 . 1 1 72 72 THR H H 1 7.835 0.012 . 1 . . . . 112 THR H . 18779 1 329 . 1 1 72 72 THR C C 13 175.252 0.064 . 1 . . . . 112 THR C . 18779 1 330 . 1 1 72 72 THR CA C 13 59.811 0.088 . 1 . . . . 112 THR CA . 18779 1 331 . 1 1 72 72 THR CB C 13 72.459 0.125 . 1 . . . . 112 THR CB . 18779 1 332 . 1 1 72 72 THR N N 15 118.080 0.020 . 1 . . . . 112 THR N . 18779 1 333 . 1 1 73 73 ASP C C 13 176.833 0.064 . 1 . . . . 113 ASP C . 18779 1 334 . 1 1 73 73 ASP CA C 13 56.541 0.088 . 1 . . . . 113 ASP CA . 18779 1 335 . 1 1 73 73 ASP CB C 13 39.923 0.125 . 1 . . . . 113 ASP CB . 18779 1 336 . 1 1 74 74 GLN H H 1 7.887 0.008 . 1 . . . . 114 GLN H . 18779 1 337 . 1 1 74 74 GLN C C 13 175.204 0.064 . 1 . . . . 114 GLN C . 18779 1 338 . 1 1 74 74 GLN CA C 13 55.233 0.115 . 1 . . . . 114 GLN CA . 18779 1 339 . 1 1 74 74 GLN CB C 13 29.288 0.125 . 1 . . . . 114 GLN CB . 18779 1 340 . 1 1 74 74 GLN N N 15 115.918 0.038 . 1 . . . . 114 GLN N . 18779 1 341 . 1 1 75 75 GLY H H 1 7.353 0.006 . 1 . . . . 115 GLY H . 18779 1 342 . 1 1 75 75 GLY C C 13 173.805 0.064 . 1 . . . . 115 GLY C . 18779 1 343 . 1 1 75 75 GLY CA C 13 44.226 0.088 . 1 . . . . 115 GLY CA . 18779 1 344 . 1 1 75 75 GLY N N 15 108.222 0.035 . 1 . . . . 115 GLY N . 18779 1 345 . 1 1 76 76 TRP H H 1 8.490 0.006 . 1 . . . . 116 TRP H . 18779 1 346 . 1 1 76 76 TRP C C 13 176.820 0.064 . 1 . . . . 116 TRP C . 18779 1 347 . 1 1 76 76 TRP CA C 13 57.136 0.088 . 1 . . . . 116 TRP CA . 18779 1 348 . 1 1 76 76 TRP CB C 13 29.709 0.125 . 1 . . . . 116 TRP CB . 18779 1 349 . 1 1 76 76 TRP N N 15 123.366 0.020 . 1 . . . . 116 TRP N . 18779 1 350 . 1 1 77 77 VAL H H 1 9.475 0.006 . 1 . . . . 117 VAL H . 18779 1 351 . 1 1 77 77 VAL C C 13 173.607 0.064 . 1 . . . . 117 VAL C . 18779 1 352 . 1 1 77 77 VAL CA C 13 60.567 0.088 . 1 . . . . 117 VAL CA . 18779 1 353 . 1 1 77 77 VAL CB C 13 35.560 0.125 . 1 . . . . 117 VAL CB . 18779 1 354 . 1 1 77 77 VAL N N 15 121.239 0.033 . 1 . . . . 117 VAL N . 18779 1 355 . 1 1 78 78 LEU H H 1 7.542 0.010 . 1 . . . . 118 LEU H . 18779 1 356 . 1 1 78 78 LEU C C 13 178.655 0.064 . 1 . . . . 118 LEU C . 18779 1 357 . 1 1 78 78 LEU CA C 13 53.289 0.088 . 1 . . . . 118 LEU CA . 18779 1 358 . 1 1 78 78 LEU CB C 13 43.083 0.125 . 1 . . . . 118 LEU CB . 18779 1 359 . 1 1 78 78 LEU N N 15 121.403 0.036 . 1 . . . . 118 LEU N . 18779 1 360 . 1 1 79 79 GLU H H 1 9.898 0.005 . 1 . . . . 119 GLU H . 18779 1 361 . 1 1 79 79 GLU C C 13 173.988 0.064 . 1 . . . . 119 GLU C . 18779 1 362 . 1 1 79 79 GLU CA C 13 53.518 0.088 . 1 . . . . 119 GLU CA . 18779 1 363 . 1 1 79 79 GLU CB C 13 34.052 0.125 . 1 . . . . 119 GLU CB . 18779 1 364 . 1 1 79 79 GLU N N 15 122.764 0.020 . 1 . . . . 119 GLU N . 18779 1 365 . 1 1 80 80 PRO C C 13 173.177 0.064 . 1 . . . . 120 PRO C . 18779 1 366 . 1 1 80 80 PRO CA C 13 61.357 0.113 . 1 . . . . 120 PRO CA . 18779 1 367 . 1 1 80 80 PRO CB C 13 30.907 0.125 . 1 . . . . 120 PRO CB . 18779 1 368 . 1 1 81 81 TYR H H 1 7.187 0.006 . 1 . . . . 121 TYR H . 18779 1 369 . 1 1 81 81 TYR C C 13 173.150 0.064 . 1 . . . . 121 TYR C . 18779 1 370 . 1 1 81 81 TYR CA C 13 58.632 0.088 . 1 . . . . 121 TYR CA . 18779 1 371 . 1 1 81 81 TYR CB C 13 39.396 0.125 . 1 . . . . 121 TYR CB . 18779 1 372 . 1 1 81 81 TYR N N 15 119.305 0.021 . 1 . . . . 121 TYR N . 18779 1 373 . 1 1 82 82 ASN H H 1 8.530 0.011 . 1 . . . . 122 ASN H . 18779 1 374 . 1 1 82 82 ASN C C 13 174.692 0.064 . 1 . . . . 122 ASN C . 18779 1 375 . 1 1 82 82 ASN CA C 13 51.036 0.088 . 1 . . . . 122 ASN CA . 18779 1 376 . 1 1 82 82 ASN CB C 13 40.211 0.125 . 1 . . . . 122 ASN CB . 18779 1 377 . 1 1 82 82 ASN N N 15 120.960 0.033 . 1 . . . . 122 ASN N . 18779 1 378 . 1 1 83 83 GLN H H 1 8.096 0.007 . 1 . . . . 123 GLN H . 18779 1 379 . 1 1 83 83 GLN C C 13 177.040 0.064 . 1 . . . . 123 GLN C . 18779 1 380 . 1 1 83 83 GLN CA C 13 57.977 0.088 . 1 . . . . 123 GLN CA . 18779 1 381 . 1 1 83 83 GLN CB C 13 29.066 0.125 . 1 . . . . 123 GLN CB . 18779 1 382 . 1 1 83 83 GLN N N 15 111.862 0.024 . 1 . . . . 123 GLN N . 18779 1 383 . 1 1 84 84 GLN H H 1 8.082 0.011 . 1 . . . . 124 GLN H . 18779 1 384 . 1 1 84 84 GLN C C 13 178.253 0.064 . 1 . . . . 124 GLN C . 18779 1 385 . 1 1 84 84 GLN CA C 13 58.136 0.088 . 1 . . . . 124 GLN CA . 18779 1 386 . 1 1 84 84 GLN CB C 13 28.902 0.125 . 1 . . . . 124 GLN CB . 18779 1 387 . 1 1 84 84 GLN N N 15 115.817 0.020 . 1 . . . . 124 GLN N . 18779 1 388 . 1 1 85 85 ASN H H 1 8.065 0.008 . 1 . . . . 125 ASN H . 18779 1 389 . 1 1 85 85 ASN C C 13 179.565 0.064 . 1 . . . . 125 ASN C . 18779 1 390 . 1 1 85 85 ASN CA C 13 52.515 0.088 . 1 . . . . 125 ASN CA . 18779 1 391 . 1 1 85 85 ASN CB C 13 39.262 0.125 . 1 . . . . 125 ASN CB . 18779 1 392 . 1 1 85 85 ASN N N 15 117.809 0.050 . 1 . . . . 125 ASN N . 18779 1 393 . 1 1 86 86 LYS H H 1 7.251 0.008 . 1 . . . . 126 LYS H . 18779 1 394 . 1 1 86 86 LYS C C 13 177.350 0.064 . 1 . . . . 126 LYS C . 18779 1 395 . 1 1 86 86 LYS CA C 13 60.466 0.088 . 1 . . . . 126 LYS CA . 18779 1 396 . 1 1 86 86 LYS CB C 13 31.653 0.125 . 1 . . . . 126 LYS CB . 18779 1 397 . 1 1 86 86 LYS N N 15 118.319 0.023 . 1 . . . . 126 LYS N . 18779 1 398 . 1 1 87 87 ALA H H 1 8.513 0.005 . 1 . . . . 127 ALA H . 18779 1 399 . 1 1 87 87 ALA C C 13 181.189 0.064 . 1 . . . . 127 ALA C . 18779 1 400 . 1 1 87 87 ALA CA C 13 55.241 0.088 . 1 . . . . 127 ALA CA . 18779 1 401 . 1 1 87 87 ALA CB C 13 18.259 0.125 . 1 . . . . 127 ALA CB . 18779 1 402 . 1 1 87 87 ALA N N 15 121.470 0.028 . 1 . . . . 127 ALA N . 18779 1 403 . 1 1 88 88 HIS H H 1 8.011 0.007 . 1 . . . . 128 HIS H . 18779 1 404 . 1 1 88 88 HIS C C 13 177.466 0.064 . 1 . . . . 128 HIS C . 18779 1 405 . 1 1 88 88 HIS CA C 13 57.211 0.088 . 1 . . . . 128 HIS CA . 18779 1 406 . 1 1 88 88 HIS CB C 13 28.066 0.125 . 1 . . . . 128 HIS CB . 18779 1 407 . 1 1 88 88 HIS N N 15 114.719 0.036 . 1 . . . . 128 HIS N . 18779 1 408 . 1 1 89 89 PHE H H 1 7.141 0.009 . 1 . . . . 129 PHE H . 18779 1 409 . 1 1 89 89 PHE C C 13 178.272 0.064 . 1 . . . . 129 PHE C . 18779 1 410 . 1 1 89 89 PHE CA C 13 63.056 0.088 . 1 . . . . 129 PHE CA . 18779 1 411 . 1 1 89 89 PHE CB C 13 41.330 0.125 . 1 . . . . 129 PHE CB . 18779 1 412 . 1 1 89 89 PHE N N 15 117.504 0.048 . 1 . . . . 129 PHE N . 18779 1 413 . 1 1 90 90 ILE H H 1 8.734 0.007 . 1 . . . . 130 ILE H . 18779 1 414 . 1 1 90 90 ILE C C 13 178.595 0.064 . 1 . . . . 130 ILE C . 18779 1 415 . 1 1 90 90 ILE CA C 13 64.295 0.088 . 1 . . . . 130 ILE CA . 18779 1 416 . 1 1 90 90 ILE CB C 13 36.812 0.125 . 1 . . . . 130 ILE CB . 18779 1 417 . 1 1 90 90 ILE N N 15 119.825 0.027 . 1 . . . . 130 ILE N . 18779 1 418 . 1 1 91 91 GLN H H 1 7.613 0.005 . 1 . . . . 131 GLN H . 18779 1 419 . 1 1 91 91 GLN C C 13 178.100 0.064 . 1 . . . . 131 GLN C . 18779 1 420 . 1 1 91 91 GLN CA C 13 58.941 0.120 . 1 . . . . 131 GLN CA . 18779 1 421 . 1 1 91 91 GLN CB C 13 28.620 0.125 . 1 . . . . 131 GLN CB . 18779 1 422 . 1 1 91 91 GLN N N 15 118.875 0.020 . 1 . . . . 131 GLN N . 18779 1 423 . 1 1 92 92 PHE H H 1 8.104 0.010 . 1 . . . . 132 PHE H . 18779 1 424 . 1 1 92 92 PHE C C 13 178.013 0.064 . 1 . . . . 132 PHE C . 18779 1 425 . 1 1 92 92 PHE CA C 13 60.545 0.101 . 1 . . . . 132 PHE CA . 18779 1 426 . 1 1 92 92 PHE CB C 13 39.369 0.125 . 1 . . . . 132 PHE CB . 18779 1 427 . 1 1 92 92 PHE N N 15 120.467 0.034 . 1 . . . . 132 PHE N . 18779 1 428 . 1 1 93 93 LEU H H 1 8.745 0.008 . 1 . . . . 133 LEU H . 18779 1 429 . 1 1 93 93 LEU C C 13 178.175 0.064 . 1 . . . . 133 LEU C . 18779 1 430 . 1 1 93 93 LEU CA C 13 56.967 0.088 . 1 . . . . 133 LEU CA . 18779 1 431 . 1 1 93 93 LEU CB C 13 41.890 0.125 . 1 . . . . 133 LEU CB . 18779 1 432 . 1 1 93 93 LEU N N 15 120.758 0.023 . 1 . . . . 133 LEU N . 18779 1 433 . 1 1 94 94 ARG H H 1 7.754 0.011 . 1 . . . . 134 ARG H . 18779 1 434 . 1 1 94 94 ARG C C 13 177.403 0.064 . 1 . . . . 134 ARG C . 18779 1 435 . 1 1 94 94 ARG CA C 13 58.566 0.099 . 1 . . . . 134 ARG CA . 18779 1 436 . 1 1 94 94 ARG CB C 13 30.370 0.125 . 1 . . . . 134 ARG CB . 18779 1 437 . 1 1 94 94 ARG N N 15 119.326 0.034 . 1 . . . . 134 ARG N . 18779 1 438 . 1 1 95 95 ASP H H 1 8.125 0.011 . 1 . . . . 135 ASP H . 18779 1 439 . 1 1 95 95 ASP C C 13 176.875 0.064 . 1 . . . . 135 ASP C . 18779 1 440 . 1 1 95 95 ASP CA C 13 53.931 0.088 . 1 . . . . 135 ASP CA . 18779 1 441 . 1 1 95 95 ASP CB C 13 41.976 0.125 . 1 . . . . 135 ASP CB . 18779 1 442 . 1 1 95 95 ASP N N 15 114.532 0.037 . 1 . . . . 135 ASP N . 18779 1 443 . 1 1 96 96 GLY H H 1 8.263 0.009 . 1 . . . . 136 GLY H . 18779 1 444 . 1 1 96 96 GLY C C 13 174.850 0.064 . 1 . . . . 136 GLY C . 18779 1 445 . 1 1 96 96 GLY CA C 13 45.834 0.088 . 1 . . . . 136 GLY CA . 18779 1 446 . 1 1 96 96 GLY N N 15 108.146 0.057 . 1 . . . . 136 GLY N . 18779 1 447 . 1 1 97 97 LEU H H 1 8.081 0.005 . 1 . . . . 137 LEU H . 18779 1 448 . 1 1 97 97 LEU C C 13 175.588 0.064 . 1 . . . . 137 LEU C . 18779 1 449 . 1 1 97 97 LEU CA C 13 54.015 0.088 . 1 . . . . 137 LEU CA . 18779 1 450 . 1 1 97 97 LEU CB C 13 40.299 0.125 . 1 . . . . 137 LEU CB . 18779 1 451 . 1 1 97 97 LEU N N 15 122.594 0.033 . 1 . . . . 137 LEU N . 18779 1 452 . 1 1 98 98 ASP H H 1 8.507 0.007 . 1 . . . . 138 ASP H . 18779 1 453 . 1 1 98 98 ASP C C 13 176.020 0.064 . 1 . . . . 138 ASP C . 18779 1 454 . 1 1 98 98 ASP CA C 13 52.876 0.088 . 1 . . . . 138 ASP CA . 18779 1 455 . 1 1 98 98 ASP CB C 13 45.364 0.125 . 1 . . . . 138 ASP CB . 18779 1 456 . 1 1 98 98 ASP N N 15 120.819 0.028 . 1 . . . . 138 ASP N . 18779 1 457 . 1 1 99 99 SER H H 1 11.001 0.008 . 1 . . . . 139 SER H . 18779 1 458 . 1 1 99 99 SER C C 13 172.584 0.064 . 1 . . . . 139 SER C . 18779 1 459 . 1 1 99 99 SER CA C 13 56.776 0.088 . 1 . . . . 139 SER CA . 18779 1 460 . 1 1 99 99 SER CB C 13 62.582 0.125 . 1 . . . . 139 SER CB . 18779 1 461 . 1 1 99 99 SER N N 15 121.034 0.038 . 1 . . . . 139 SER N . 18779 1 462 . 1 1 100 100 VAL H H 1 7.509 0.006 . 1 . . . . 140 VAL H . 18779 1 463 . 1 1 100 100 VAL C C 13 173.878 0.064 . 1 . . . . 140 VAL C . 18779 1 464 . 1 1 100 100 VAL CA C 13 59.352 0.088 . 1 . . . . 140 VAL CA . 18779 1 465 . 1 1 100 100 VAL CB C 13 35.261 0.125 . 1 . . . . 140 VAL CB . 18779 1 466 . 1 1 100 100 VAL N N 15 121.200 0.042 . 1 . . . . 140 VAL N . 18779 1 467 . 1 1 101 101 ASP H H 1 8.972 0.010 . 1 . . . . 141 ASP H . 18779 1 468 . 1 1 101 101 ASP C C 13 175.830 0.064 . 1 . . . . 141 ASP C . 18779 1 469 . 1 1 101 101 ASP CA C 13 52.674 0.088 . 1 . . . . 141 ASP CA . 18779 1 470 . 1 1 101 101 ASP CB C 13 44.065 0.125 . 1 . . . . 141 ASP CB . 18779 1 471 . 1 1 101 101 ASP N N 15 125.032 0.035 . 1 . . . . 141 ASP N . 18779 1 472 . 1 1 102 102 ASP H H 1 7.911 0.012 . 1 . . . . 142 ASP H . 18779 1 473 . 1 1 102 102 ASP C C 13 176.315 0.064 . 1 . . . . 142 ASP C . 18779 1 474 . 1 1 102 102 ASP CA C 13 53.091 0.088 . 1 . . . . 142 ASP CA . 18779 1 475 . 1 1 102 102 ASP CB C 13 45.106 0.125 . 1 . . . . 142 ASP CB . 18779 1 476 . 1 1 102 102 ASP N N 15 117.377 0.025 . 1 . . . . 142 ASP N . 18779 1 477 . 1 1 103 103 ILE H H 1 9.703 0.008 . 1 . . . . 143 ILE H . 18779 1 478 . 1 1 103 103 ILE C C 13 174.697 0.064 . 1 . . . . 143 ILE C . 18779 1 479 . 1 1 103 103 ILE CA C 13 61.066 0.088 . 1 . . . . 143 ILE CA . 18779 1 480 . 1 1 103 103 ILE CB C 13 39.982 0.156 . 1 . . . . 143 ILE CB . 18779 1 481 . 1 1 103 103 ILE N N 15 123.509 0.034 . 1 . . . . 143 ILE N . 18779 1 482 . 1 1 104 104 VAL H H 1 8.137 0.012 . 1 . . . . 144 VAL H . 18779 1 483 . 1 1 104 104 VAL C C 13 175.630 0.064 . 1 . . . . 144 VAL C . 18779 1 484 . 1 1 104 104 VAL CA C 13 62.922 0.088 . 1 . . . . 144 VAL CA . 18779 1 485 . 1 1 104 104 VAL CB C 13 32.638 0.129 . 1 . . . . 144 VAL CB . 18779 1 486 . 1 1 104 104 VAL N N 15 126.490 0.052 . 1 . . . . 144 VAL N . 18779 1 487 . 1 1 105 105 ILE H H 1 8.993 0.008 . 1 . . . . 145 ILE H . 18779 1 488 . 1 1 105 105 ILE C C 13 174.674 0.064 . 1 . . . . 145 ILE C . 18779 1 489 . 1 1 105 105 ILE CA C 13 60.979 0.088 . 1 . . . . 145 ILE CA . 18779 1 490 . 1 1 105 105 ILE CB C 13 40.404 0.125 . 1 . . . . 145 ILE CB . 18779 1 491 . 1 1 105 105 ILE N N 15 129.098 0.027 . 1 . . . . 145 ILE N . 18779 1 492 . 1 1 106 106 ARG H H 1 8.970 0.011 . 1 . . . . 146 ARG H . 18779 1 493 . 1 1 106 106 ARG C C 13 174.726 0.064 . 1 . . . . 146 ARG C . 18779 1 494 . 1 1 106 106 ARG CA C 13 54.669 0.088 . 1 . . . . 146 ARG CA . 18779 1 495 . 1 1 106 106 ARG CB C 13 35.041 0.125 . 1 . . . . 146 ARG CB . 18779 1 496 . 1 1 106 106 ARG N N 15 123.394 0.050 . 1 . . . . 146 ARG N . 18779 1 497 . 1 1 107 107 LYS H H 1 8.835 0.005 . 1 . . . . 147 LYS H . 18779 1 498 . 1 1 107 107 LYS C C 13 174.305 0.064 . 1 . . . . 147 LYS C . 18779 1 499 . 1 1 107 107 LYS CA C 13 55.767 0.088 . 1 . . . . 147 LYS CA . 18779 1 500 . 1 1 107 107 LYS CB C 13 33.179 0.125 . 1 . . . . 147 LYS CB . 18779 1 501 . 1 1 107 107 LYS N N 15 124.580 0.030 . 1 . . . . 147 LYS N . 18779 1 502 . 1 1 108 108 ASP H H 1 7.647 0.013 . 1 . . . . 148 ASP H . 18779 1 503 . 1 1 108 108 ASP C C 13 174.483 0.064 . 1 . . . . 148 ASP C . 18779 1 504 . 1 1 108 108 ASP CA C 13 53.090 0.088 . 1 . . . . 148 ASP CA . 18779 1 505 . 1 1 108 108 ASP CB C 13 42.837 0.125 . 1 . . . . 148 ASP CB . 18779 1 506 . 1 1 108 108 ASP N N 15 123.976 0.020 . 1 . . . . 148 ASP N . 18779 1 507 . 1 1 109 109 ALA H H 1 8.380 0.009 . 1 . . . . 149 ALA H . 18779 1 508 . 1 1 109 109 ALA C C 13 177.066 0.064 . 1 . . . . 149 ALA C . 18779 1 509 . 1 1 109 109 ALA CA C 13 52.082 0.088 . 1 . . . . 149 ALA CA . 18779 1 510 . 1 1 109 109 ALA CB C 13 18.654 0.125 . 1 . . . . 149 ALA CB . 18779 1 511 . 1 1 109 109 ALA N N 15 123.035 0.033 . 1 . . . . 149 ALA N . 18779 1 512 . 1 1 110 110 CYS C C 13 174.086 0.064 . 1 . . . . 150 CYS C . 18779 1 513 . 1 1 110 110 CYS CA C 13 53.408 0.088 . 1 . . . . 150 CYS CA . 18779 1 514 . 1 1 110 110 CYS CB C 13 38.931 0.125 . 1 . . . . 150 CYS CB . 18779 1 515 . 1 1 111 111 SER H H 1 7.806 0.003 . 1 . . . . 151 SER H . 18779 1 516 . 1 1 111 111 SER C C 13 174.214 0.064 . 1 . . . . 151 SER C . 18779 1 517 . 1 1 111 111 SER CA C 13 57.710 0.088 . 1 . . . . 151 SER CA . 18779 1 518 . 1 1 111 111 SER CB C 13 63.705 0.125 . 1 . . . . 151 SER CB . 18779 1 519 . 1 1 111 111 SER N N 15 126.078 0.047 . 1 . . . . 151 SER N . 18779 1 520 . 1 1 112 112 LEU H H 1 7.356 0.010 . 1 . . . . 152 LEU H . 18779 1 521 . 1 1 112 112 LEU C C 13 177.256 0.064 . 1 . . . . 152 LEU C . 18779 1 522 . 1 1 112 112 LEU CA C 13 55.160 0.088 . 1 . . . . 152 LEU CA . 18779 1 523 . 1 1 112 112 LEU CB C 13 42.750 0.125 . 1 . . . . 152 LEU CB . 18779 1 524 . 1 1 112 112 LEU N N 15 122.735 0.032 . 1 . . . . 152 LEU N . 18779 1 525 . 1 1 113 113 SER H H 1 8.468 0.004 . 1 . . . . 153 SER H . 18779 1 526 . 1 1 113 113 SER CA C 13 57.692 0.088 . 1 . . . . 153 SER CA . 18779 1 527 . 1 1 113 113 SER CB C 13 63.548 0.125 . 1 . . . . 153 SER CB . 18779 1 528 . 1 1 113 113 SER N N 15 117.152 0.055 . 1 . . . . 153 SER N . 18779 1 529 . 1 1 115 115 THR C C 13 175.360 0.064 . 1 . . . . 155 THR C . 18779 1 530 . 1 1 115 115 THR CA C 13 61.158 0.088 . 1 . . . . 155 THR CA . 18779 1 531 . 1 1 115 115 THR CB C 13 68.650 0.125 . 1 . . . . 155 THR CB . 18779 1 532 . 1 1 116 116 MET H H 1 7.555 0.010 . 1 . . . . 156 MET H . 18779 1 533 . 1 1 116 116 MET C C 13 177.113 0.064 . 1 . . . . 156 MET C . 18779 1 534 . 1 1 116 116 MET CA C 13 58.489 0.093 . 1 . . . . 156 MET CA . 18779 1 535 . 1 1 116 116 MET CB C 13 32.791 0.125 . 1 . . . . 156 MET CB . 18779 1 536 . 1 1 116 116 MET N N 15 120.761 0.051 . 1 . . . . 156 MET N . 18779 1 537 . 1 1 117 117 GLY H H 1 8.664 0.005 . 1 . . . . 157 GLY H . 18779 1 538 . 1 1 117 117 GLY C C 13 174.568 0.064 . 1 . . . . 157 GLY C . 18779 1 539 . 1 1 117 117 GLY CA C 13 46.694 0.088 . 1 . . . . 157 GLY CA . 18779 1 540 . 1 1 117 117 GLY N N 15 107.009 0.023 . 1 . . . . 157 GLY N . 18779 1 541 . 1 1 118 118 GLU H H 1 7.871 0.007 . 1 . . . . 158 GLU H . 18779 1 542 . 1 1 118 118 GLU C C 13 179.384 0.064 . 1 . . . . 158 GLU C . 18779 1 543 . 1 1 118 118 GLU CA C 13 59.389 0.088 . 1 . . . . 158 GLU CA . 18779 1 544 . 1 1 118 118 GLU CB C 13 29.190 0.125 . 1 . . . . 158 GLU CB . 18779 1 545 . 1 1 118 118 GLU N N 15 119.311 0.031 . 1 . . . . 158 GLU N . 18779 1 546 . 1 1 119 119 ARG H H 1 7.618 0.002 . 1 . . . . 159 ARG H . 18779 1 547 . 1 1 119 119 ARG C C 13 178.630 0.064 . 1 . . . . 159 ARG C . 18779 1 548 . 1 1 119 119 ARG CA C 13 58.686 0.135 . 1 . . . . 159 ARG CA . 18779 1 549 . 1 1 119 119 ARG CB C 13 29.624 0.125 . 1 . . . . 159 ARG CB . 18779 1 550 . 1 1 119 119 ARG N N 15 119.520 0.043 . 1 . . . . 159 ARG N . 18779 1 551 . 1 1 120 120 LEU H H 1 7.940 0.005 . 1 . . . . 160 LEU H . 18779 1 552 . 1 1 120 120 LEU C C 13 179.138 0.064 . 1 . . . . 160 LEU C . 18779 1 553 . 1 1 120 120 LEU CA C 13 57.437 0.088 . 1 . . . . 160 LEU CA . 18779 1 554 . 1 1 120 120 LEU CB C 13 40.255 0.125 . 1 . . . . 160 LEU CB . 18779 1 555 . 1 1 120 120 LEU N N 15 119.093 0.053 . 1 . . . . 160 LEU N . 18779 1 556 . 1 1 121 121 LEU H H 1 7.769 0.004 . 1 . . . . 161 LEU H . 18779 1 557 . 1 1 121 121 LEU C C 13 181.308 0.064 . 1 . . . . 161 LEU C . 18779 1 558 . 1 1 121 121 LEU CA C 13 57.415 0.088 . 1 . . . . 161 LEU CA . 18779 1 559 . 1 1 121 121 LEU CB C 13 41.535 0.125 . 1 . . . . 161 LEU CB . 18779 1 560 . 1 1 121 121 LEU N N 15 117.984 0.036 . 1 . . . . 161 LEU N . 18779 1 561 . 1 1 122 122 THR H H 1 7.784 0.004 . 1 . . . . 162 THR H . 18779 1 562 . 1 1 122 122 THR C C 13 175.573 0.064 . 1 . . . . 162 THR C . 18779 1 563 . 1 1 122 122 THR CA C 13 65.053 0.088 . 1 . . . . 162 THR CA . 18779 1 564 . 1 1 122 122 THR CB C 13 69.094 0.125 . 1 . . . . 162 THR CB . 18779 1 565 . 1 1 122 122 THR N N 15 114.558 0.047 . 1 . . . . 162 THR N . 18779 1 566 . 1 1 123 123 TYR H H 1 7.673 0.006 . 1 . . . . 163 TYR H . 18779 1 567 . 1 1 123 123 TYR C C 13 176.517 0.064 . 1 . . . . 163 TYR C . 18779 1 568 . 1 1 123 123 TYR CA C 13 57.223 0.088 . 1 . . . . 163 TYR CA . 18779 1 569 . 1 1 123 123 TYR CB C 13 37.933 0.125 . 1 . . . . 163 TYR CB . 18779 1 570 . 1 1 123 123 TYR N N 15 119.602 0.033 . 1 . . . . 163 TYR N . 18779 1 571 . 1 1 124 124 GLY H H 1 7.841 0.006 . 1 . . . . 164 GLY H . 18779 1 572 . 1 1 124 124 GLY C C 13 174.976 0.064 . 1 . . . . 164 GLY C . 18779 1 573 . 1 1 124 124 GLY CA C 13 45.516 0.088 . 1 . . . . 164 GLY CA . 18779 1 574 . 1 1 124 124 GLY N N 15 106.840 0.022 . 1 . . . . 164 GLY N . 18779 1 575 . 1 1 125 125 VAL H H 1 7.527 0.006 . 1 . . . . 165 VAL H . 18779 1 576 . 1 1 125 125 VAL C C 13 174.438 0.064 . 1 . . . . 165 VAL C . 18779 1 577 . 1 1 125 125 VAL CA C 13 63.627 0.088 . 1 . . . . 165 VAL CA . 18779 1 578 . 1 1 125 125 VAL CB C 13 31.243 0.125 . 1 . . . . 165 VAL CB . 18779 1 579 . 1 1 125 125 VAL N N 15 121.311 0.061 . 1 . . . . 165 VAL N . 18779 1 580 . 1 1 126 126 LYS H H 1 8.053 0.014 . 1 . . . . 166 LYS H . 18779 1 581 . 1 1 126 126 LYS C C 13 176.149 0.064 . 1 . . . . 166 LYS C . 18779 1 582 . 1 1 126 126 LYS CA C 13 55.529 0.088 . 1 . . . . 166 LYS CA . 18779 1 583 . 1 1 126 126 LYS CB C 13 34.455 0.125 . 1 . . . . 166 LYS CB . 18779 1 584 . 1 1 126 126 LYS N N 15 124.736 0.036 . 1 . . . . 166 LYS N . 18779 1 585 . 1 1 127 127 LYS H H 1 8.615 0.007 . 1 . . . . 167 LYS H . 18779 1 586 . 1 1 127 127 LYS C C 13 176.208 0.064 . 1 . . . . 167 LYS C . 18779 1 587 . 1 1 127 127 LYS CA C 13 56.606 0.088 . 1 . . . . 167 LYS CA . 18779 1 588 . 1 1 127 127 LYS CB C 13 33.748 0.125 . 1 . . . . 167 LYS CB . 18779 1 589 . 1 1 127 127 LYS N N 15 124.413 0.020 . 1 . . . . 167 LYS N . 18779 1 590 . 1 1 128 128 MET H H 1 8.646 0.005 . 1 . . . . 168 MET H . 18779 1 591 . 1 1 128 128 MET C C 13 173.262 0.064 . 1 . . . . 168 MET C . 18779 1 592 . 1 1 128 128 MET CA C 13 52.214 0.088 . 1 . . . . 168 MET CA . 18779 1 593 . 1 1 128 128 MET CB C 13 33.581 0.125 . 1 . . . . 168 MET CB . 18779 1 594 . 1 1 128 128 MET N N 15 126.572 0.025 . 1 . . . . 168 MET N . 18779 1 595 . 1 1 129 129 PRO C C 13 176.227 0.064 . 1 . . . . 169 PRO C . 18779 1 596 . 1 1 129 129 PRO CA C 13 63.182 0.088 . 1 . . . . 169 PRO CA . 18779 1 597 . 1 1 129 129 PRO CB C 13 31.567 0.125 . 1 . . . . 169 PRO CB . 18779 1 598 . 1 1 130 130 SER H H 1 8.621 0.003 . 1 . . . . 170 SER H . 18779 1 599 . 1 1 130 130 SER C C 13 175.768 0.064 . 1 . . . . 170 SER C . 18779 1 600 . 1 1 130 130 SER CA C 13 54.769 0.088 . 1 . . . . 170 SER CA . 18779 1 601 . 1 1 130 130 SER CB C 13 65.686 0.125 . 1 . . . . 170 SER CB . 18779 1 602 . 1 1 130 130 SER N N 15 115.323 0.043 . 1 . . . . 170 SER N . 18779 1 603 . 1 1 131 131 ALA H H 1 8.600 0.008 . 1 . . . . 171 ALA H . 18779 1 604 . 1 1 131 131 ALA C C 13 175.522 0.064 . 1 . . . . 171 ALA C . 18779 1 605 . 1 1 131 131 ALA CA C 13 52.533 0.088 . 1 . . . . 171 ALA CA . 18779 1 606 . 1 1 131 131 ALA CB C 13 18.635 0.125 . 1 . . . . 171 ALA CB . 18779 1 607 . 1 1 131 131 ALA N N 15 129.469 0.038 . 1 . . . . 171 ALA N . 18779 1 608 . 1 1 132 132 TYR H H 1 7.888 0.010 . 1 . . . . 172 TYR H . 18779 1 609 . 1 1 132 132 TYR C C 13 175.206 0.064 . 1 . . . . 172 TYR C . 18779 1 610 . 1 1 132 132 TYR CA C 13 54.745 0.088 . 1 . . . . 172 TYR CA . 18779 1 611 . 1 1 132 132 TYR CB C 13 41.620 0.125 . 1 . . . . 172 TYR CB . 18779 1 612 . 1 1 132 132 TYR N N 15 115.817 0.043 . 1 . . . . 172 TYR N . 18779 1 613 . 1 1 133 133 PRO C C 13 177.712 0.064 . 1 . . . . 173 PRO C . 18779 1 614 . 1 1 133 133 PRO CA C 13 64.894 0.088 . 1 . . . . 173 PRO CA . 18779 1 615 . 1 1 133 133 PRO CB C 13 32.076 0.125 . 1 . . . . 173 PRO CB . 18779 1 616 . 1 1 134 134 GLU H H 1 9.875 0.006 . 1 . . . . 174 GLU H . 18779 1 617 . 1 1 134 134 GLU C C 13 175.444 0.064 . 1 . . . . 174 GLU C . 18779 1 618 . 1 1 134 134 GLU CA C 13 57.532 0.088 . 1 . . . . 174 GLU CA . 18779 1 619 . 1 1 134 134 GLU CB C 13 29.174 0.125 . 1 . . . . 174 GLU CB . 18779 1 620 . 1 1 134 134 GLU N N 15 116.101 0.044 . 1 . . . . 174 GLU N . 18779 1 621 . 1 1 135 135 TYR H H 1 8.134 0.010 . 1 . . . . 175 TYR H . 18779 1 622 . 1 1 135 135 TYR C C 13 176.894 0.064 . 1 . . . . 175 TYR C . 18779 1 623 . 1 1 135 135 TYR CA C 13 57.348 0.088 . 1 . . . . 175 TYR CA . 18779 1 624 . 1 1 135 135 TYR CB C 13 41.733 0.125 . 1 . . . . 175 TYR CB . 18779 1 625 . 1 1 135 135 TYR N N 15 116.668 0.036 . 1 . . . . 175 TYR N . 18779 1 626 . 1 1 136 136 GLU H H 1 9.527 0.008 . 1 . . . . 176 GLU H . 18779 1 627 . 1 1 136 136 GLU C C 13 174.984 0.064 . 1 . . . . 176 GLU C . 18779 1 628 . 1 1 136 136 GLU CA C 13 55.222 0.088 . 1 . . . . 176 GLU CA . 18779 1 629 . 1 1 136 136 GLU CB C 13 33.291 0.125 . 1 . . . . 176 GLU CB . 18779 1 630 . 1 1 136 136 GLU N N 15 121.882 0.029 . 1 . . . . 176 GLU N . 18779 1 631 . 1 1 137 137 ALA H H 1 8.960 0.007 . 1 . . . . 177 ALA H . 18779 1 632 . 1 1 137 137 ALA C C 13 174.875 0.064 . 1 . . . . 177 ALA C . 18779 1 633 . 1 1 137 137 ALA CA C 13 51.000 0.088 . 1 . . . . 177 ALA CA . 18779 1 634 . 1 1 137 137 ALA CB C 13 23.392 0.125 . 1 . . . . 177 ALA CB . 18779 1 635 . 1 1 137 137 ALA N N 15 125.599 0.020 . 1 . . . . 177 ALA N . 18779 1 636 . 1 1 138 138 TYR H H 1 9.005 0.008 . 1 . . . . 178 TYR H . 18779 1 637 . 1 1 138 138 TYR C C 13 174.669 0.064 . 1 . . . . 178 TYR C . 18779 1 638 . 1 1 138 138 TYR CA C 13 56.320 0.088 . 1 . . . . 178 TYR CA . 18779 1 639 . 1 1 138 138 TYR CB C 13 42.823 0.125 . 1 . . . . 178 TYR CB . 18779 1 640 . 1 1 138 138 TYR N N 15 118.717 0.031 . 1 . . . . 178 TYR N . 18779 1 641 . 1 1 139 139 GLU H H 1 9.226 0.008 . 1 . . . . 179 GLU H . 18779 1 642 . 1 1 139 139 GLU C C 13 174.187 0.064 . 1 . . . . 179 GLU C . 18779 1 643 . 1 1 139 139 GLU CA C 13 55.114 0.088 . 1 . . . . 179 GLU CA . 18779 1 644 . 1 1 139 139 GLU CB C 13 33.984 0.125 . 1 . . . . 179 GLU CB . 18779 1 645 . 1 1 139 139 GLU N N 15 121.663 0.042 . 1 . . . . 179 GLU N . 18779 1 646 . 1 1 140 140 ASP H H 1 9.702 0.008 . 1 . . . . 180 ASP H . 18779 1 647 . 1 1 140 140 ASP C C 13 174.533 0.064 . 1 . . . . 180 ASP C . 18779 1 648 . 1 1 140 140 ASP CA C 13 52.685 0.088 . 1 . . . . 180 ASP CA . 18779 1 649 . 1 1 140 140 ASP CB C 13 43.954 0.125 . 1 . . . . 180 ASP CB . 18779 1 650 . 1 1 140 140 ASP N N 15 128.062 0.046 . 1 . . . . 180 ASP N . 18779 1 651 . 1 1 141 141 LYS H H 1 8.719 0.006 . 1 . . . . 181 LYS H . 18779 1 652 . 1 1 141 141 LYS C C 13 176.162 0.064 . 1 . . . . 181 LYS C . 18779 1 653 . 1 1 141 141 LYS CA C 13 54.353 0.088 . 1 . . . . 181 LYS CA . 18779 1 654 . 1 1 141 141 LYS CB C 13 33.789 0.125 . 1 . . . . 181 LYS CB . 18779 1 655 . 1 1 141 141 LYS N N 15 127.142 0.071 . 1 . . . . 181 LYS N . 18779 1 656 . 1 1 142 142 ARG H H 1 7.793 0.008 . 1 . . . . 182 ARG H . 18779 1 657 . 1 1 142 142 ARG C C 13 174.748 0.064 . 1 . . . . 182 ARG C . 18779 1 658 . 1 1 142 142 ARG CA C 13 56.559 0.088 . 1 . . . . 182 ARG CA . 18779 1 659 . 1 1 142 142 ARG CB C 13 31.450 0.125 . 1 . . . . 182 ARG CB . 18779 1 660 . 1 1 142 142 ARG N N 15 121.435 0.020 . 1 . . . . 182 ARG N . 18779 1 661 . 1 1 143 143 HIS H H 1 8.280 0.006 . 1 . . . . 183 HIS H . 18779 1 662 . 1 1 143 143 HIS C C 13 174.695 0.064 . 1 . . . . 183 HIS C . 18779 1 663 . 1 1 143 143 HIS CA C 13 56.034 0.106 . 1 . . . . 183 HIS CA . 18779 1 664 . 1 1 143 143 HIS CB C 13 29.790 0.125 . 1 . . . . 183 HIS CB . 18779 1 665 . 1 1 143 143 HIS N N 15 118.945 0.045 . 1 . . . . 183 HIS N . 18779 1 666 . 1 1 144 144 ILE H H 1 8.581 0.006 . 1 . . . . 184 ILE H . 18779 1 667 . 1 1 144 144 ILE C C 13 174.712 0.064 . 1 . . . . 184 ILE C . 18779 1 668 . 1 1 144 144 ILE CA C 13 57.408 0.088 . 1 . . . . 184 ILE CA . 18779 1 669 . 1 1 144 144 ILE CB C 13 38.172 0.125 . 1 . . . . 184 ILE CB . 18779 1 670 . 1 1 144 144 ILE N N 15 127.800 0.030 . 1 . . . . 184 ILE N . 18779 1 671 . 1 1 145 145 PRO C C 13 178.013 0.064 . 1 . . . . 185 PRO C . 18779 1 672 . 1 1 145 145 PRO CA C 13 65.466 0.088 . 1 . . . . 185 PRO CA . 18779 1 673 . 1 1 145 145 PRO CB C 13 31.567 0.125 . 1 . . . . 185 PRO CB . 18779 1 674 . 1 1 146 146 GLU H H 1 8.714 0.005 . 1 . . . . 186 GLU H . 18779 1 675 . 1 1 146 146 GLU C C 13 176.304 0.064 . 1 . . . . 186 GLU C . 18779 1 676 . 1 1 146 146 GLU CA C 13 57.578 0.088 . 1 . . . . 186 GLU CA . 18779 1 677 . 1 1 146 146 GLU CB C 13 28.912 0.125 . 1 . . . . 186 GLU CB . 18779 1 678 . 1 1 146 146 GLU N N 15 112.701 0.028 . 1 . . . . 186 GLU N . 18779 1 679 . 1 1 147 147 ASN H H 1 7.741 0.009 . 1 . . . . 187 ASN H . 18779 1 680 . 1 1 147 147 ASN C C 13 172.869 0.064 . 1 . . . . 187 ASN C . 18779 1 681 . 1 1 147 147 ASN CA C 13 51.002 0.088 . 1 . . . . 187 ASN CA . 18779 1 682 . 1 1 147 147 ASN CB C 13 38.825 0.125 . 1 . . . . 187 ASN CB . 18779 1 683 . 1 1 147 147 ASN N N 15 113.515 0.040 . 1 . . . . 187 ASN N . 18779 1 684 . 1 1 148 148 PRO C C 13 175.849 0.064 . 1 . . . . 188 PRO C . 18779 1 685 . 1 1 148 148 PRO CA C 13 63.489 0.096 . 1 . . . . 188 PRO CA . 18779 1 686 . 1 1 148 148 PRO CB C 13 31.876 0.125 . 1 . . . . 188 PRO CB . 18779 1 687 . 1 1 149 149 TYR H H 1 7.566 0.009 . 1 . . . . 189 TYR H . 18779 1 688 . 1 1 149 149 TYR C C 13 174.639 0.064 . 1 . . . . 189 TYR C . 18779 1 689 . 1 1 149 149 TYR CA C 13 56.663 0.088 . 1 . . . . 189 TYR CA . 18779 1 690 . 1 1 149 149 TYR CB C 13 37.358 0.125 . 1 . . . . 189 TYR CB . 18779 1 691 . 1 1 149 149 TYR N N 15 117.023 0.020 . 1 . . . . 189 TYR N . 18779 1 692 . 1 1 150 150 PHE H H 1 6.735 0.012 . 1 . . . . 190 PHE H . 18779 1 693 . 1 1 150 150 PHE C C 13 176.052 0.064 . 1 . . . . 190 PHE C . 18779 1 694 . 1 1 150 150 PHE CA C 13 59.362 0.088 . 1 . . . . 190 PHE CA . 18779 1 695 . 1 1 150 150 PHE CB C 13 39.962 0.125 . 1 . . . . 190 PHE CB . 18779 1 696 . 1 1 150 150 PHE N N 15 120.453 0.042 . 1 . . . . 190 PHE N . 18779 1 697 . 1 1 151 151 HIS H H 1 8.767 0.010 . 1 . . . . 191 HIS H . 18779 1 698 . 1 1 151 151 HIS C C 13 172.919 0.064 . 1 . . . . 191 HIS C . 18779 1 699 . 1 1 151 151 HIS CA C 13 54.987 0.088 . 1 . . . . 191 HIS CA . 18779 1 700 . 1 1 151 151 HIS CB C 13 32.198 0.125 . 1 . . . . 191 HIS CB . 18779 1 701 . 1 1 151 151 HIS N N 15 128.542 0.030 . 1 . . . . 191 HIS N . 18779 1 702 . 1 1 152 152 GLU H H 1 8.513 0.010 . 1 . . . . 192 GLU H . 18779 1 703 . 1 1 152 152 GLU C C 13 173.551 0.064 . 1 . . . . 192 GLU C . 18779 1 704 . 1 1 152 152 GLU CA C 13 54.953 0.088 . 1 . . . . 192 GLU CA . 18779 1 705 . 1 1 152 152 GLU CB C 13 34.269 0.125 . 1 . . . . 192 GLU CB . 18779 1 706 . 1 1 152 152 GLU N N 15 123.695 0.031 . 1 . . . . 192 GLU N . 18779 1 707 . 1 1 153 153 PHE H H 1 9.200 0.006 . 1 . . . . 193 PHE H . 18779 1 708 . 1 1 153 153 PHE C C 13 174.700 0.064 . 1 . . . . 193 PHE C . 18779 1 709 . 1 1 153 153 PHE CA C 13 56.222 0.088 . 1 . . . . 193 PHE CA . 18779 1 710 . 1 1 153 153 PHE CB C 13 42.959 0.125 . 1 . . . . 193 PHE CB . 18779 1 711 . 1 1 153 153 PHE N N 15 119.043 0.048 . 1 . . . . 193 PHE N . 18779 1 712 . 1 1 154 154 TYR H H 1 8.616 0.008 . 1 . . . . 194 TYR H . 18779 1 713 . 1 1 154 154 TYR C C 13 174.773 0.064 . 1 . . . . 194 TYR C . 18779 1 714 . 1 1 154 154 TYR CA C 13 55.792 0.102 . 1 . . . . 194 TYR CA . 18779 1 715 . 1 1 154 154 TYR CB C 13 42.019 0.127 . 1 . . . . 194 TYR CB . 18779 1 716 . 1 1 154 154 TYR N N 15 116.850 0.027 . 1 . . . . 194 TYR N . 18779 1 717 . 1 1 155 155 TYR H H 1 9.440 0.007 . 1 . . . . 195 TYR H . 18779 1 718 . 1 1 155 155 TYR C C 13 175.360 0.064 . 1 . . . . 195 TYR C . 18779 1 719 . 1 1 155 155 TYR CA C 13 56.128 0.088 . 1 . . . . 195 TYR CA . 18779 1 720 . 1 1 155 155 TYR CB C 13 40.270 0.125 . 1 . . . . 195 TYR CB . 18779 1 721 . 1 1 155 155 TYR N N 15 120.143 0.021 . 1 . . . . 195 TYR N . 18779 1 722 . 1 1 156 156 ILE H H 1 9.349 0.007 . 1 . . . . 196 ILE H . 18779 1 723 . 1 1 156 156 ILE C C 13 174.281 0.064 . 1 . . . . 196 ILE C . 18779 1 724 . 1 1 156 156 ILE CA C 13 60.537 0.088 . 1 . . . . 196 ILE CA . 18779 1 725 . 1 1 156 156 ILE CB C 13 42.309 0.218 . 1 . . . . 196 ILE CB . 18779 1 726 . 1 1 156 156 ILE N N 15 123.622 0.030 . 1 . . . . 196 ILE N . 18779 1 727 . 1 1 157 157 LYS H H 1 9.531 0.005 . 1 . . . . 197 LYS H . 18779 1 728 . 1 1 157 157 LYS C C 13 175.726 0.064 . 1 . . . . 197 LYS C . 18779 1 729 . 1 1 157 157 LYS CA C 13 55.129 0.088 . 1 . . . . 197 LYS CA . 18779 1 730 . 1 1 157 157 LYS CB C 13 35.223 0.125 . 1 . . . . 197 LYS CB . 18779 1 731 . 1 1 157 157 LYS N N 15 132.345 0.022 . 1 . . . . 197 LYS N . 18779 1 732 . 1 1 158 158 LYS H H 1 8.447 0.004 . 1 . . . . 198 LYS H . 18779 1 733 . 1 1 158 158 LYS C C 13 176.054 0.064 . 1 . . . . 198 LYS C . 18779 1 734 . 1 1 158 158 LYS CA C 13 55.198 0.088 . 1 . . . . 198 LYS CA . 18779 1 735 . 1 1 158 158 LYS CB C 13 33.062 0.125 . 1 . . . . 198 LYS CB . 18779 1 736 . 1 1 158 158 LYS N N 15 125.924 0.044 . 1 . . . . 198 LYS N . 18779 1 737 . 1 1 159 159 GLY H H 1 8.184 0.007 . 1 . . . . 199 GLY H . 18779 1 738 . 1 1 159 159 GLY C C 13 173.522 0.064 . 1 . . . . 199 GLY C . 18779 1 739 . 1 1 159 159 GLY CA C 13 44.772 0.088 . 1 . . . . 199 GLY CA . 18779 1 740 . 1 1 159 159 GLY N N 15 107.582 0.020 . 1 . . . . 199 GLY N . 18779 1 741 . 1 1 160 160 GLU H H 1 8.401 0.004 . 1 . . . . 200 GLU H . 18779 1 742 . 1 1 160 160 GLU C C 13 176.305 0.064 . 1 . . . . 200 GLU C . 18779 1 743 . 1 1 160 160 GLU CA C 13 58.118 0.088 . 1 . . . . 200 GLU CA . 18779 1 744 . 1 1 160 160 GLU CB C 13 30.073 0.125 . 1 . . . . 200 GLU CB . 18779 1 745 . 1 1 160 160 GLU N N 15 120.892 0.027 . 1 . . . . 200 GLU N . 18779 1 746 . 1 1 161 161 ASN H H 1 8.597 0.005 . 1 . . . . 201 ASN H . 18779 1 747 . 1 1 161 161 ASN C C 13 172.601 0.064 . 1 . . . . 201 ASN C . 18779 1 748 . 1 1 161 161 ASN CA C 13 51.774 0.088 . 1 . . . . 201 ASN CA . 18779 1 749 . 1 1 161 161 ASN CB C 13 38.665 0.125 . 1 . . . . 201 ASN CB . 18779 1 750 . 1 1 161 161 ASN N N 15 117.052 0.039 . 1 . . . . 201 ASN N . 18779 1 751 . 1 1 162 162 PRO C C 13 175.011 0.064 . 1 . . . . 202 PRO C . 18779 1 752 . 1 1 162 162 PRO CA C 13 63.243 0.088 . 1 . . . . 202 PRO CA . 18779 1 753 . 1 1 162 162 PRO CB C 13 34.122 0.125 . 1 . . . . 202 PRO CB . 18779 1 754 . 1 1 163 163 ALA H H 1 8.239 0.009 . 1 . . . . 203 ALA H . 18779 1 755 . 1 1 163 163 ALA C C 13 175.801 0.064 . 1 . . . . 203 ALA C . 18779 1 756 . 1 1 163 163 ALA CA C 13 51.834 0.088 . 1 . . . . 203 ALA CA . 18779 1 757 . 1 1 163 163 ALA CB C 13 23.223 0.125 . 1 . . . . 203 ALA CB . 18779 1 758 . 1 1 163 163 ALA N N 15 116.874 0.020 . 1 . . . . 203 ALA N . 18779 1 759 . 1 1 164 164 ILE H H 1 9.189 0.008 . 1 . . . . 204 ILE H . 18779 1 760 . 1 1 164 164 ILE C C 13 174.790 0.064 . 1 . . . . 204 ILE C . 18779 1 761 . 1 1 164 164 ILE CA C 13 61.382 0.088 . 1 . . . . 204 ILE CA . 18779 1 762 . 1 1 164 164 ILE CB C 13 40.886 0.125 . 1 . . . . 204 ILE CB . 18779 1 763 . 1 1 164 164 ILE N N 15 118.712 0.030 . 1 . . . . 204 ILE N . 18779 1 764 . 1 1 165 165 ILE H H 1 9.503 0.008 . 1 . . . . 205 ILE H . 18779 1 765 . 1 1 165 165 ILE C C 13 175.217 0.064 . 1 . . . . 205 ILE C . 18779 1 766 . 1 1 165 165 ILE CA C 13 60.578 0.110 . 1 . . . . 205 ILE CA . 18779 1 767 . 1 1 165 165 ILE CB C 13 40.504 0.125 . 1 . . . . 205 ILE CB . 18779 1 768 . 1 1 165 165 ILE N N 15 130.606 0.030 . 1 . . . . 205 ILE N . 18779 1 769 . 1 1 166 166 THR H H 1 9.141 0.008 . 1 . . . . 206 THR H . 18779 1 770 . 1 1 166 166 THR C C 13 173.387 0.064 . 1 . . . . 206 THR C . 18779 1 771 . 1 1 166 166 THR CA C 13 61.127 0.088 . 1 . . . . 206 THR CA . 18779 1 772 . 1 1 166 166 THR CB C 13 70.226 0.125 . 1 . . . . 206 THR CB . 18779 1 773 . 1 1 166 166 THR N N 15 121.695 0.089 . 1 . . . . 206 THR N . 18779 1 774 . 1 1 167 167 HIS H H 1 9.036 0.010 . 1 . . . . 207 HIS H . 18779 1 775 . 1 1 167 167 HIS C C 13 173.517 0.064 . 1 . . . . 207 HIS C . 18779 1 776 . 1 1 167 167 HIS CA C 13 54.502 0.088 . 1 . . . . 207 HIS CA . 18779 1 777 . 1 1 167 167 HIS CB C 13 33.221 0.130 . 1 . . . . 207 HIS CB . 18779 1 778 . 1 1 167 167 HIS N N 15 128.718 0.022 . 1 . . . . 207 HIS N . 18779 1 779 . 1 1 168 168 ARG H H 1 9.002 0.009 . 1 . . . . 208 ARG H . 18779 1 780 . 1 1 168 168 ARG C C 13 173.066 0.064 . 1 . . . . 208 ARG C . 18779 1 781 . 1 1 168 168 ARG CA C 13 53.507 0.088 . 1 . . . . 208 ARG CA . 18779 1 782 . 1 1 168 168 ARG CB C 13 34.921 0.125 . 1 . . . . 208 ARG CB . 18779 1 783 . 1 1 168 168 ARG N N 15 123.133 0.020 . 1 . . . . 208 ARG N . 18779 1 784 . 1 1 169 169 ASN H H 1 7.913 0.009 . 1 . . . . 209 ASN H . 18779 1 785 . 1 1 169 169 ASN C C 13 176.446 0.064 . 1 . . . . 209 ASN C . 18779 1 786 . 1 1 169 169 ASN CA C 13 51.500 0.088 . 1 . . . . 209 ASN CA . 18779 1 787 . 1 1 169 169 ASN CB C 13 38.148 0.125 . 1 . . . . 209 ASN CB . 18779 1 788 . 1 1 169 169 ASN N N 15 118.286 0.040 . 1 . . . . 209 ASN N . 18779 1 789 . 1 1 170 170 ASN H H 1 9.059 0.008 . 1 . . . . 210 ASN H . 18779 1 790 . 1 1 170 170 ASN C C 13 174.918 0.064 . 1 . . . . 210 ASN C . 18779 1 791 . 1 1 170 170 ASN CA C 13 53.449 0.088 . 1 . . . . 210 ASN CA . 18779 1 792 . 1 1 170 170 ASN CB C 13 40.072 0.125 . 1 . . . . 210 ASN CB . 18779 1 793 . 1 1 170 170 ASN N N 15 124.845 0.029 . 1 . . . . 210 ASN N . 18779 1 794 . 1 1 171 171 ARG H H 1 7.262 0.010 . 1 . . . . 211 ARG H . 18779 1 795 . 1 1 171 171 ARG C C 13 174.845 0.064 . 1 . . . . 211 ARG C . 18779 1 796 . 1 1 171 171 ARG CA C 13 57.136 0.088 . 1 . . . . 211 ARG CA . 18779 1 797 . 1 1 171 171 ARG CB C 13 32.389 0.125 . 1 . . . . 211 ARG CB . 18779 1 798 . 1 1 171 171 ARG N N 15 123.010 0.022 . 1 . . . . 211 ARG N . 18779 1 799 . 1 1 172 172 ILE H H 1 8.781 0.002 . 1 . . . . 212 ILE H . 18779 1 800 . 1 1 172 172 ILE C C 13 175.543 0.064 . 1 . . . . 212 ILE C . 18779 1 801 . 1 1 172 172 ILE CA C 13 60.608 0.088 . 1 . . . . 212 ILE CA . 18779 1 802 . 1 1 172 172 ILE CB C 13 41.076 0.125 . 1 . . . . 212 ILE CB . 18779 1 803 . 1 1 172 172 ILE N N 15 120.660 0.027 . 1 . . . . 212 ILE N . 18779 1 804 . 1 1 173 173 ASN H H 1 7.950 0.012 . 1 . . . . 213 ASN H . 18779 1 805 . 1 1 173 173 ASN C C 13 175.814 0.064 . 1 . . . . 213 ASN C . 18779 1 806 . 1 1 173 173 ASN CA C 13 52.188 0.088 . 1 . . . . 213 ASN CA . 18779 1 807 . 1 1 173 173 ASN CB C 13 41.759 0.125 . 1 . . . . 213 ASN CB . 18779 1 808 . 1 1 173 173 ASN N N 15 118.204 0.020 . 1 . . . . 213 ASN N . 18779 1 809 . 1 1 174 174 GLN C C 13 177.488 0.064 . 1 . . . . 214 GLN C . 18779 1 810 . 1 1 174 174 GLN CA C 13 58.594 0.088 . 1 . . . . 214 GLN CA . 18779 1 811 . 1 1 174 174 GLN CB C 13 28.876 0.125 . 1 . . . . 214 GLN CB . 18779 1 812 . 1 1 175 175 THR H H 1 7.908 0.010 . 1 . . . . 215 THR H . 18779 1 813 . 1 1 175 175 THR C C 13 174.594 0.064 . 1 . . . . 215 THR C . 18779 1 814 . 1 1 175 175 THR CA C 13 62.277 0.088 . 1 . . . . 215 THR CA . 18779 1 815 . 1 1 175 175 THR CB C 13 68.611 0.125 . 1 . . . . 215 THR CB . 18779 1 816 . 1 1 175 175 THR N N 15 107.195 0.034 . 1 . . . . 215 THR N . 18779 1 817 . 1 1 176 176 GLU H H 1 7.038 0.009 . 1 . . . . 216 GLU H . 18779 1 818 . 1 1 176 176 GLU C C 13 175.270 0.064 . 1 . . . . 216 GLU C . 18779 1 819 . 1 1 176 176 GLU CA C 13 54.971 0.088 . 1 . . . . 216 GLU CA . 18779 1 820 . 1 1 176 176 GLU CB C 13 32.324 0.125 . 1 . . . . 216 GLU CB . 18779 1 821 . 1 1 176 176 GLU N N 15 120.994 0.060 . 1 . . . . 216 GLU N . 18779 1 822 . 1 1 177 177 GLU H H 1 7.956 0.006 . 1 . . . . 217 GLU H . 18779 1 823 . 1 1 177 177 GLU C C 13 177.101 0.064 . 1 . . . . 217 GLU C . 18779 1 824 . 1 1 177 177 GLU CA C 13 54.869 0.088 . 1 . . . . 217 GLU CA . 18779 1 825 . 1 1 177 177 GLU CB C 13 31.329 0.125 . 1 . . . . 217 GLU CB . 18779 1 826 . 1 1 177 177 GLU N N 15 116.787 0.026 . 1 . . . . 217 GLU N . 18779 1 827 . 1 1 178 178 ASP H H 1 8.529 0.003 . 1 . . . . 218 ASP H . 18779 1 828 . 1 1 178 178 ASP C C 13 175.798 0.064 . 1 . . . . 218 ASP C . 18779 1 829 . 1 1 178 178 ASP CA C 13 56.904 0.088 . 1 . . . . 218 ASP CA . 18779 1 830 . 1 1 178 178 ASP CB C 13 41.474 0.125 . 1 . . . . 218 ASP CB . 18779 1 831 . 1 1 178 178 ASP N N 15 119.696 0.020 . 1 . . . . 218 ASP N . 18779 1 832 . 1 1 179 179 SER H H 1 7.845 0.006 . 1 . . . . 219 SER H . 18779 1 833 . 1 1 179 179 SER C C 13 173.409 0.064 . 1 . . . . 219 SER C . 18779 1 834 . 1 1 179 179 SER CA C 13 56.579 0.138 . 1 . . . . 219 SER CA . 18779 1 835 . 1 1 179 179 SER CB C 13 63.749 0.125 . 1 . . . . 219 SER CB . 18779 1 836 . 1 1 179 179 SER N N 15 115.651 0.020 . 1 . . . . 219 SER N . 18779 1 837 . 1 1 180 180 TYR H H 1 9.597 0.005 . 1 . . . . 220 TYR H . 18779 1 838 . 1 1 180 180 TYR C C 13 176.627 0.064 . 1 . . . . 220 TYR C . 18779 1 839 . 1 1 180 180 TYR CA C 13 57.657 0.088 . 1 . . . . 220 TYR CA . 18779 1 840 . 1 1 180 180 TYR CB C 13 39.990 0.125 . 1 . . . . 220 TYR CB . 18779 1 841 . 1 1 180 180 TYR N N 15 129.402 0.029 . 1 . . . . 220 TYR N . 18779 1 842 . 1 1 181 181 SER H H 1 8.781 0.008 . 1 . . . . 221 SER H . 18779 1 843 . 1 1 181 181 SER C C 13 173.808 0.064 . 1 . . . . 221 SER C . 18779 1 844 . 1 1 181 181 SER CA C 13 57.270 0.088 . 1 . . . . 221 SER CA . 18779 1 845 . 1 1 181 181 SER CB C 13 66.159 0.125 . 1 . . . . 221 SER CB . 18779 1 846 . 1 1 181 181 SER N N 15 114.441 0.023 . 1 . . . . 221 SER N . 18779 1 847 . 1 1 182 182 THR H H 1 8.902 0.007 . 1 . . . . 222 THR H . 18779 1 848 . 1 1 182 182 THR C C 13 173.726 0.064 . 1 . . . . 222 THR C . 18779 1 849 . 1 1 182 182 THR CA C 13 62.276 0.088 . 1 . . . . 222 THR CA . 18779 1 850 . 1 1 182 182 THR CB C 13 70.849 0.125 . 1 . . . . 222 THR CB . 18779 1 851 . 1 1 182 182 THR N N 15 118.323 0.026 . 1 . . . . 222 THR N . 18779 1 852 . 1 1 183 183 SER H H 1 9.046 0.008 . 1 . . . . 223 SER H . 18779 1 853 . 1 1 183 183 SER C C 13 172.775 0.064 . 1 . . . . 223 SER C . 18779 1 854 . 1 1 183 183 SER CA C 13 56.463 0.126 . 1 . . . . 223 SER CA . 18779 1 855 . 1 1 183 183 SER CB C 13 66.313 0.125 . 1 . . . . 223 SER CB . 18779 1 856 . 1 1 183 183 SER N N 15 119.747 0.020 . 1 . . . . 223 SER N . 18779 1 857 . 1 1 184 184 VAL H H 1 8.583 0.008 . 1 . . . . 224 VAL H . 18779 1 858 . 1 1 184 184 VAL C C 13 175.386 0.064 . 1 . . . . 224 VAL C . 18779 1 859 . 1 1 184 184 VAL CA C 13 61.854 0.088 . 1 . . . . 224 VAL CA . 18779 1 860 . 1 1 184 184 VAL CB C 13 33.364 0.125 . 1 . . . . 224 VAL CB . 18779 1 861 . 1 1 184 184 VAL N N 15 124.538 0.046 . 1 . . . . 224 VAL N . 18779 1 862 . 1 1 185 185 GLY H H 1 8.294 0.011 . 1 . . . . 225 GLY H . 18779 1 863 . 1 1 185 185 GLY C C 13 171.832 0.064 . 1 . . . . 225 GLY C . 18779 1 864 . 1 1 185 185 GLY CA C 13 44.874 0.088 . 1 . . . . 225 GLY CA . 18779 1 865 . 1 1 185 185 GLY N N 15 113.971 0.023 . 1 . . . . 225 GLY N . 18779 1 866 . 1 1 186 186 SER H H 1 8.419 0.013 . 1 . . . . 226 SER H . 18779 1 867 . 1 1 186 186 SER C C 13 173.726 0.064 . 1 . . . . 226 SER C . 18779 1 868 . 1 1 186 186 SER CA C 13 57.924 0.088 . 1 . . . . 226 SER CA . 18779 1 869 . 1 1 186 186 SER CB C 13 67.471 0.125 . 1 . . . . 226 SER CB . 18779 1 870 . 1 1 186 186 SER N N 15 116.534 0.028 . 1 . . . . 226 SER N . 18779 1 871 . 1 1 187 187 CYS H H 1 8.771 0.006 . 1 . . . . 227 CYS H . 18779 1 872 . 1 1 187 187 CYS C C 13 172.344 0.064 . 1 . . . . 227 CYS C . 18779 1 873 . 1 1 187 187 CYS CA C 13 53.511 0.088 . 1 . . . . 227 CYS CA . 18779 1 874 . 1 1 187 187 CYS CB C 13 45.044 0.125 . 1 . . . . 227 CYS CB . 18779 1 875 . 1 1 187 187 CYS N N 15 122.944 0.030 . 1 . . . . 227 CYS N . 18779 1 876 . 1 1 188 188 ILE H H 1 8.812 0.007 . 1 . . . . 228 ILE H . 18779 1 877 . 1 1 188 188 ILE C C 13 175.576 0.064 . 1 . . . . 228 ILE C . 18779 1 878 . 1 1 188 188 ILE CA C 13 59.972 0.194 . 1 . . . . 228 ILE CA . 18779 1 879 . 1 1 188 188 ILE CB C 13 41.480 0.125 . 1 . . . . 228 ILE CB . 18779 1 880 . 1 1 188 188 ILE N N 15 120.670 0.031 . 1 . . . . 228 ILE N . 18779 1 881 . 1 1 189 189 ASN H H 1 8.921 0.007 . 1 . . . . 229 ASN H . 18779 1 882 . 1 1 189 189 ASN C C 13 174.292 0.064 . 1 . . . . 229 ASN C . 18779 1 883 . 1 1 189 189 ASN CA C 13 54.511 0.088 . 1 . . . . 229 ASN CA . 18779 1 884 . 1 1 189 189 ASN CB C 13 37.966 0.125 . 1 . . . . 229 ASN CB . 18779 1 885 . 1 1 189 189 ASN N N 15 124.721 0.026 . 1 . . . . 229 ASN N . 18779 1 886 . 1 1 190 190 GLY H H 1 8.593 0.005 . 1 . . . . 230 GLY H . 18779 1 887 . 1 1 190 190 GLY C C 13 173.680 0.064 . 1 . . . . 230 GLY C . 18779 1 888 . 1 1 190 190 GLY CA C 13 45.260 0.088 . 1 . . . . 230 GLY CA . 18779 1 889 . 1 1 190 190 GLY N N 15 102.700 0.020 . 1 . . . . 230 GLY N . 18779 1 890 . 1 1 191 191 PHE H H 1 8.196 0.012 . 1 . . . . 231 PHE H . 18779 1 891 . 1 1 191 191 PHE C C 13 177.104 0.064 . 1 . . . . 231 PHE C . 18779 1 892 . 1 1 191 191 PHE CA C 13 57.309 0.088 . 1 . . . . 231 PHE CA . 18779 1 893 . 1 1 191 191 PHE CB C 13 39.608 0.125 . 1 . . . . 231 PHE CB . 18779 1 894 . 1 1 191 191 PHE N N 15 118.404 0.036 . 1 . . . . 231 PHE N . 18779 1 895 . 1 1 192 192 THR H H 1 9.407 0.007 . 1 . . . . 232 THR H . 18779 1 896 . 1 1 192 192 THR C C 13 173.936 0.064 . 1 . . . . 232 THR C . 18779 1 897 . 1 1 192 192 THR CA C 13 61.948 0.088 . 1 . . . . 232 THR CA . 18779 1 898 . 1 1 192 192 THR CB C 13 69.857 0.125 . 1 . . . . 232 THR CB . 18779 1 899 . 1 1 192 192 THR N N 15 117.763 0.069 . 1 . . . . 232 THR N . 18779 1 900 . 1 1 193 193 VAL H H 1 8.579 0.013 . 1 . . . . 233 VAL H . 18779 1 901 . 1 1 193 193 VAL C C 13 175.471 0.064 . 1 . . . . 233 VAL C . 18779 1 902 . 1 1 193 193 VAL CA C 13 61.739 0.088 . 1 . . . . 233 VAL CA . 18779 1 903 . 1 1 193 193 VAL CB C 13 33.218 0.125 . 1 . . . . 233 VAL CB . 18779 1 904 . 1 1 193 193 VAL N N 15 127.394 0.024 . 1 . . . . 233 VAL N . 18779 1 905 . 1 1 194 194 GLN H H 1 8.816 0.009 . 1 . . . . 234 GLN H . 18779 1 906 . 1 1 194 194 GLN C C 13 174.509 0.064 . 1 . . . . 234 GLN C . 18779 1 907 . 1 1 194 194 GLN CA C 13 53.942 0.100 . 1 . . . . 234 GLN CA . 18779 1 908 . 1 1 194 194 GLN CB C 13 32.447 0.125 . 1 . . . . 234 GLN CB . 18779 1 909 . 1 1 194 194 GLN N N 15 127.843 0.036 . 1 . . . . 234 GLN N . 18779 1 910 . 1 1 195 195 TYR H H 1 8.438 0.009 . 1 . . . . 235 TYR H . 18779 1 911 . 1 1 195 195 TYR C C 13 171.676 0.064 . 1 . . . . 235 TYR C . 18779 1 912 . 1 1 195 195 TYR CA C 13 56.694 0.088 . 1 . . . . 235 TYR CA . 18779 1 913 . 1 1 195 195 TYR CB C 13 40.849 0.125 . 1 . . . . 235 TYR CB . 18779 1 914 . 1 1 195 195 TYR N N 15 119.711 0.054 . 1 . . . . 235 TYR N . 18779 1 915 . 1 1 196 196 TYR H H 1 8.982 0.011 . 1 . . . . 236 TYR H . 18779 1 916 . 1 1 196 196 TYR C C 13 172.521 0.064 . 1 . . . . 236 TYR C . 18779 1 917 . 1 1 196 196 TYR CA C 13 53.997 0.088 . 1 . . . . 236 TYR CA . 18779 1 918 . 1 1 196 196 TYR CB C 13 37.995 0.125 . 1 . . . . 236 TYR CB . 18779 1 919 . 1 1 196 196 TYR N N 15 121.481 0.021 . 1 . . . . 236 TYR N . 18779 1 920 . 1 1 197 197 PRO C C 13 176.734 0.064 . 1 . . . . 237 PRO C . 18779 1 921 . 1 1 197 197 PRO CA C 13 61.850 0.088 . 1 . . . . 237 PRO CA . 18779 1 922 . 1 1 197 197 PRO CB C 13 32.015 0.125 . 1 . . . . 237 PRO CB . 18779 1 923 . 1 1 198 198 PHE H H 1 10.204 0.008 . 1 . . . . 238 PHE H . 18779 1 924 . 1 1 198 198 PHE C C 13 181.254 0.064 . 1 . . . . 238 PHE C . 18779 1 925 . 1 1 198 198 PHE CA C 13 56.898 0.088 . 1 . . . . 238 PHE CA . 18779 1 926 . 1 1 198 198 PHE CB C 13 34.996 0.125 . 1 . . . . 238 PHE CB . 18779 1 927 . 1 1 198 198 PHE N N 15 116.767 0.025 . 1 . . . . 238 PHE N . 18779 1 928 . 1 1 199 199 ILE H H 1 9.079 0.008 . 1 . . . . 239 ILE H . 18779 1 929 . 1 1 199 199 ILE C C 13 177.127 0.064 . 1 . . . . 239 ILE C . 18779 1 930 . 1 1 199 199 ILE CA C 13 63.733 0.088 . 1 . . . . 239 ILE CA . 18779 1 931 . 1 1 199 199 ILE CB C 13 38.428 0.125 . 1 . . . . 239 ILE CB . 18779 1 932 . 1 1 199 199 ILE N N 15 120.095 0.067 . 1 . . . . 239 ILE N . 18779 1 933 . 1 1 200 200 ARG H H 1 7.973 0.008 . 1 . . . . 240 ARG H . 18779 1 934 . 1 1 200 200 ARG C C 13 177.105 0.064 . 1 . . . . 240 ARG C . 18779 1 935 . 1 1 200 200 ARG CA C 13 54.645 0.088 . 1 . . . . 240 ARG CA . 18779 1 936 . 1 1 200 200 ARG CB C 13 29.905 0.125 . 1 . . . . 240 ARG CB . 18779 1 937 . 1 1 200 200 ARG N N 15 116.784 0.020 . 1 . . . . 240 ARG N . 18779 1 938 . 1 1 201 201 GLU H H 1 8.279 0.007 . 1 . . . . 241 GLU H . 18779 1 939 . 1 1 201 201 GLU C C 13 176.147 0.064 . 1 . . . . 241 GLU C . 18779 1 940 . 1 1 201 201 GLU CA C 13 55.386 0.088 . 1 . . . . 241 GLU CA . 18779 1 941 . 1 1 201 201 GLU CB C 13 28.996 0.125 . 1 . . . . 241 GLU CB . 18779 1 942 . 1 1 201 201 GLU N N 15 119.912 0.022 . 1 . . . . 241 GLU N . 18779 1 943 . 1 1 202 202 LYS H H 1 8.342 0.008 . 1 . . . . 242 LYS H . 18779 1 944 . 1 1 202 202 LYS C C 13 177.494 0.064 . 1 . . . . 242 LYS C . 18779 1 945 . 1 1 202 202 LYS CA C 13 55.877 0.091 . 1 . . . . 242 LYS CA . 18779 1 946 . 1 1 202 202 LYS CB C 13 34.696 0.125 . 1 . . . . 242 LYS CB . 18779 1 947 . 1 1 202 202 LYS N N 15 119.572 0.039 . 1 . . . . 242 LYS N . 18779 1 948 . 1 1 203 203 GLN H H 1 8.729 0.009 . 1 . . . . 243 GLN H . 18779 1 949 . 1 1 203 203 GLN C C 13 174.109 0.064 . 1 . . . . 243 GLN C . 18779 1 950 . 1 1 203 203 GLN CA C 13 55.227 0.088 . 1 . . . . 243 GLN CA . 18779 1 951 . 1 1 203 203 GLN CB C 13 28.824 0.125 . 1 . . . . 243 GLN CB . 18779 1 952 . 1 1 203 203 GLN N N 15 120.338 0.030 . 1 . . . . 243 GLN N . 18779 1 953 . 1 1 204 204 GLN H H 1 8.057 0.010 . 1 . . . . 244 GLN H . 18779 1 954 . 1 1 204 204 GLN C C 13 176.123 0.064 . 1 . . . . 244 GLN C . 18779 1 955 . 1 1 204 204 GLN CA C 13 55.802 0.089 . 1 . . . . 244 GLN CA . 18779 1 956 . 1 1 204 204 GLN CB C 13 28.855 0.125 . 1 . . . . 244 GLN CB . 18779 1 957 . 1 1 204 204 GLN N N 15 120.764 0.028 . 1 . . . . 244 GLN N . 18779 1 958 . 1 1 205 205 LEU H H 1 10.502 0.005 . 1 . . . . 245 LEU H . 18779 1 959 . 1 1 205 205 LEU C C 13 177.072 0.064 . 1 . . . . 245 LEU C . 18779 1 960 . 1 1 205 205 LEU CA C 13 53.160 0.088 . 1 . . . . 245 LEU CA . 18779 1 961 . 1 1 205 205 LEU CB C 13 43.194 0.125 . 1 . . . . 245 LEU CB . 18779 1 962 . 1 1 205 205 LEU N N 15 132.950 0.048 . 1 . . . . 245 LEU N . 18779 1 963 . 1 1 206 206 THR H H 1 8.681 0.008 . 1 . . . . 246 THR H . 18779 1 964 . 1 1 206 206 THR C C 13 175.579 0.064 . 1 . . . . 246 THR C . 18779 1 965 . 1 1 206 206 THR CA C 13 60.210 0.088 . 1 . . . . 246 THR CA . 18779 1 966 . 1 1 206 206 THR CB C 13 72.084 0.125 . 1 . . . . 246 THR CB . 18779 1 967 . 1 1 206 206 THR N N 15 111.281 0.027 . 1 . . . . 246 THR N . 18779 1 968 . 1 1 207 207 GLN H H 1 8.956 0.009 . 1 . . . . 247 GLN H . 18779 1 969 . 1 1 207 207 GLN C C 13 177.206 0.064 . 1 . . . . 247 GLN C . 18779 1 970 . 1 1 207 207 GLN CA C 13 59.540 0.134 . 1 . . . . 247 GLN CA . 18779 1 971 . 1 1 207 207 GLN CB C 13 26.858 0.125 . 1 . . . . 247 GLN CB . 18779 1 972 . 1 1 207 207 GLN N N 15 119.649 0.041 . 1 . . . . 247 GLN N . 18779 1 973 . 1 1 208 208 GLN H H 1 8.833 0.005 . 1 . . . . 248 GLN H . 18779 1 974 . 1 1 208 208 GLN C C 13 179.727 0.064 . 1 . . . . 248 GLN C . 18779 1 975 . 1 1 208 208 GLN CA C 13 59.587 0.088 . 1 . . . . 248 GLN CA . 18779 1 976 . 1 1 208 208 GLN CB C 13 27.684 0.125 . 1 . . . . 248 GLN CB . 18779 1 977 . 1 1 208 208 GLN N N 15 115.740 0.020 . 1 . . . . 248 GLN N . 18779 1 978 . 1 1 209 209 GLU H H 1 7.521 0.006 . 1 . . . . 249 GLU H . 18779 1 979 . 1 1 209 209 GLU C C 13 178.171 0.064 . 1 . . . . 249 GLU C . 18779 1 980 . 1 1 209 209 GLU CA C 13 59.492 0.088 . 1 . . . . 249 GLU CA . 18779 1 981 . 1 1 209 209 GLU CB C 13 30.575 0.125 . 1 . . . . 249 GLU CB . 18779 1 982 . 1 1 209 209 GLU N N 15 119.998 0.025 . 1 . . . . 249 GLU N . 18779 1 983 . 1 1 210 210 LEU H H 1 7.490 0.008 . 1 . . . . 250 LEU H . 18779 1 984 . 1 1 210 210 LEU C C 13 178.696 0.064 . 1 . . . . 250 LEU C . 18779 1 985 . 1 1 210 210 LEU CA C 13 57.953 0.088 . 1 . . . . 250 LEU CA . 18779 1 986 . 1 1 210 210 LEU CB C 13 42.994 0.125 . 1 . . . . 250 LEU CB . 18779 1 987 . 1 1 210 210 LEU N N 15 118.385 0.020 . 1 . . . . 250 LEU N . 18779 1 988 . 1 1 211 211 VAL H H 1 8.769 0.007 . 1 . . . . 251 VAL H . 18779 1 989 . 1 1 211 211 VAL C C 13 177.950 0.064 . 1 . . . . 251 VAL C . 18779 1 990 . 1 1 211 211 VAL CA C 13 65.993 0.088 . 1 . . . . 251 VAL CA . 18779 1 991 . 1 1 211 211 VAL CB C 13 30.362 0.125 . 1 . . . . 251 VAL CB . 18779 1 992 . 1 1 211 211 VAL N N 15 118.724 0.026 . 1 . . . . 251 VAL N . 18779 1 993 . 1 1 212 212 GLY H H 1 7.743 0.005 . 1 . . . . 252 GLY H . 18779 1 994 . 1 1 212 212 GLY C C 13 177.169 0.064 . 1 . . . . 252 GLY C . 18779 1 995 . 1 1 212 212 GLY CA C 13 47.240 0.088 . 1 . . . . 252 GLY CA . 18779 1 996 . 1 1 212 212 GLY N N 15 106.159 0.029 . 1 . . . . 252 GLY N . 18779 1 997 . 1 1 213 213 TYR H H 1 7.544 0.008 . 1 . . . . 253 TYR H . 18779 1 998 . 1 1 213 213 TYR C C 13 178.373 0.064 . 1 . . . . 253 TYR C . 18779 1 999 . 1 1 213 213 TYR CA C 13 61.546 0.088 . 1 . . . . 253 TYR CA . 18779 1 1000 . 1 1 213 213 TYR CB C 13 38.727 0.125 . 1 . . . . 253 TYR CB . 18779 1 1001 . 1 1 213 213 TYR N N 15 123.338 0.052 . 1 . . . . 253 TYR N . 18779 1 1002 . 1 1 214 214 HIS H H 1 8.090 0.011 . 1 . . . . 254 HIS H . 18779 1 1003 . 1 1 214 214 HIS C C 13 177.748 0.064 . 1 . . . . 254 HIS C . 18779 1 1004 . 1 1 214 214 HIS CA C 13 60.775 0.110 . 1 . . . . 254 HIS CA . 18779 1 1005 . 1 1 214 214 HIS CB C 13 30.539 0.125 . 1 . . . . 254 HIS CB . 18779 1 1006 . 1 1 214 214 HIS N N 15 119.295 0.023 . 1 . . . . 254 HIS N . 18779 1 1007 . 1 1 215 215 GLN H H 1 9.280 0.008 . 1 . . . . 255 GLN H . 18779 1 1008 . 1 1 215 215 GLN C C 13 180.210 0.064 . 1 . . . . 255 GLN C . 18779 1 1009 . 1 1 215 215 GLN CA C 13 59.089 0.088 . 1 . . . . 255 GLN CA . 18779 1 1010 . 1 1 215 215 GLN CB C 13 28.467 0.125 . 1 . . . . 255 GLN CB . 18779 1 1011 . 1 1 215 215 GLN N N 15 116.783 0.020 . 1 . . . . 255 GLN N . 18779 1 1012 . 1 1 216 216 GLN H H 1 7.367 0.007 . 1 . . . . 256 GLN H . 18779 1 1013 . 1 1 216 216 GLN C C 13 178.742 0.064 . 1 . . . . 256 GLN C . 18779 1 1014 . 1 1 216 216 GLN CA C 13 59.016 0.088 . 1 . . . . 256 GLN CA . 18779 1 1015 . 1 1 216 216 GLN CB C 13 29.991 0.125 . 1 . . . . 256 GLN CB . 18779 1 1016 . 1 1 216 216 GLN N N 15 117.335 0.054 . 1 . . . . 256 GLN N . 18779 1 1017 . 1 1 217 217 VAL H H 1 7.793 0.009 . 1 . . . . 257 VAL H . 18779 1 1018 . 1 1 217 217 VAL C C 13 177.376 0.064 . 1 . . . . 257 VAL C . 18779 1 1019 . 1 1 217 217 VAL CA C 13 67.572 0.088 . 1 . . . . 257 VAL CA . 18779 1 1020 . 1 1 217 217 VAL CB C 13 30.864 0.141 . 1 . . . . 257 VAL CB . 18779 1 1021 . 1 1 217 217 VAL N N 15 123.618 0.024 . 1 . . . . 257 VAL N . 18779 1 1022 . 1 1 218 218 GLU H H 1 8.677 0.007 . 1 . . . . 258 GLU H . 18779 1 1023 . 1 1 218 218 GLU C C 13 178.607 0.064 . 1 . . . . 258 GLU C . 18779 1 1024 . 1 1 218 218 GLU CA C 13 60.224 0.088 . 1 . . . . 258 GLU CA . 18779 1 1025 . 1 1 218 218 GLU CB C 13 30.055 0.125 . 1 . . . . 258 GLU CB . 18779 1 1026 . 1 1 218 218 GLU N N 15 118.453 0.020 . 1 . . . . 258 GLU N . 18779 1 1027 . 1 1 219 219 GLN H H 1 7.517 0.005 . 1 . . . . 259 GLN H . 18779 1 1028 . 1 1 219 219 GLN C C 13 178.733 0.064 . 1 . . . . 259 GLN C . 18779 1 1029 . 1 1 219 219 GLN CA C 13 58.669 0.088 . 1 . . . . 259 GLN CA . 18779 1 1030 . 1 1 219 219 GLN CB C 13 28.387 0.125 . 1 . . . . 259 GLN CB . 18779 1 1031 . 1 1 219 219 GLN N N 15 115.830 0.020 . 1 . . . . 259 GLN N . 18779 1 1032 . 1 1 220 220 LEU H H 1 7.990 0.009 . 1 . . . . 260 LEU H . 18779 1 1033 . 1 1 220 220 LEU C C 13 178.496 0.064 . 1 . . . . 260 LEU C . 18779 1 1034 . 1 1 220 220 LEU CA C 13 57.367 0.088 . 1 . . . . 260 LEU CA . 18779 1 1035 . 1 1 220 220 LEU CB C 13 41.960 0.125 . 1 . . . . 260 LEU CB . 18779 1 1036 . 1 1 220 220 LEU N N 15 121.956 0.020 . 1 . . . . 260 LEU N . 18779 1 1037 . 1 1 221 221 VAL H H 1 8.205 0.013 . 1 . . . . 261 VAL H . 18779 1 1038 . 1 1 221 221 VAL C C 13 178.092 0.064 . 1 . . . . 261 VAL C . 18779 1 1039 . 1 1 221 221 VAL CA C 13 66.824 0.088 . 1 . . . . 261 VAL CA . 18779 1 1040 . 1 1 221 221 VAL CB C 13 31.169 0.125 . 1 . . . . 261 VAL CB . 18779 1 1041 . 1 1 221 221 VAL N N 15 117.971 0.020 . 1 . . . . 261 VAL N . 18779 1 1042 . 1 1 222 222 GLN H H 1 7.879 0.007 . 1 . . . . 262 GLN H . 18779 1 1043 . 1 1 222 222 GLN C C 13 178.817 0.064 . 1 . . . . 262 GLN C . 18779 1 1044 . 1 1 222 222 GLN CA C 13 59.474 0.088 . 1 . . . . 262 GLN CA . 18779 1 1045 . 1 1 222 222 GLN CB C 13 28.224 0.125 . 1 . . . . 262 GLN CB . 18779 1 1046 . 1 1 222 222 GLN N N 15 114.713 0.043 . 1 . . . . 262 GLN N . 18779 1 1047 . 1 1 223 223 SER H H 1 7.946 0.008 . 1 . . . . 263 SER H . 18779 1 1048 . 1 1 223 223 SER C C 13 176.190 0.064 . 1 . . . . 263 SER C . 18779 1 1049 . 1 1 223 223 SER CA C 13 61.293 0.088 . 1 . . . . 263 SER CA . 18779 1 1050 . 1 1 223 223 SER CB C 13 62.583 0.125 . 1 . . . . 263 SER CB . 18779 1 1051 . 1 1 223 223 SER N N 15 115.998 0.037 . 1 . . . . 263 SER N . 18779 1 1052 . 1 1 224 224 PHE H H 1 7.649 0.005 . 1 . . . . 264 PHE H . 18779 1 1053 . 1 1 224 224 PHE C C 13 178.745 0.064 . 1 . . . . 264 PHE C . 18779 1 1054 . 1 1 224 224 PHE CA C 13 55.589 0.088 . 1 . . . . 264 PHE CA . 18779 1 1055 . 1 1 224 224 PHE CB C 13 38.206 0.125 . 1 . . . . 264 PHE CB . 18779 1 1056 . 1 1 224 224 PHE N N 15 121.304 0.020 . 1 . . . . 264 PHE N . 18779 1 1057 . 1 1 225 225 VAL H H 1 7.567 0.005 . 1 . . . . 265 VAL H . 18779 1 1058 . 1 1 225 225 VAL C C 13 177.314 0.064 . 1 . . . . 265 VAL C . 18779 1 1059 . 1 1 225 225 VAL CA C 13 63.513 0.088 . 1 . . . . 265 VAL CA . 18779 1 1060 . 1 1 225 225 VAL CB C 13 32.829 0.125 . 1 . . . . 265 VAL CB . 18779 1 1061 . 1 1 225 225 VAL N N 15 115.946 0.027 . 1 . . . . 265 VAL N . 18779 1 1062 . 1 1 226 226 ASN H H 1 8.419 0.011 . 1 . . . . 266 ASN H . 18779 1 1063 . 1 1 226 226 ASN C C 13 175.989 0.064 . 1 . . . . 266 ASN C . 18779 1 1064 . 1 1 226 226 ASN CA C 13 54.111 0.088 . 1 . . . . 266 ASN CA . 18779 1 1065 . 1 1 226 226 ASN CB C 13 38.861 0.125 . 1 . . . . 266 ASN CB . 18779 1 1066 . 1 1 226 226 ASN N N 15 120.996 0.021 . 1 . . . . 266 ASN N . 18779 1 1067 . 1 1 227 227 ASN H H 1 8.481 0.011 . 1 . . . . 267 ASN H . 18779 1 1068 . 1 1 227 227 ASN C C 13 175.828 0.064 . 1 . . . . 267 ASN C . 18779 1 1069 . 1 1 227 227 ASN CA C 13 53.643 0.088 . 1 . . . . 267 ASN CA . 18779 1 1070 . 1 1 227 227 ASN CB C 13 39.006 0.125 . 1 . . . . 267 ASN CB . 18779 1 1071 . 1 1 227 227 ASN N N 15 119.002 0.020 . 1 . . . . 267 ASN N . 18779 1 1072 . 1 1 228 228 SER H H 1 8.206 0.010 . 1 . . . . 268 SER H . 18779 1 1073 . 1 1 228 228 SER C C 13 177.105 0.064 . 1 . . . . 268 SER C . 18779 1 1074 . 1 1 228 228 SER CA C 13 59.019 0.088 . 1 . . . . 268 SER CA . 18779 1 1075 . 1 1 228 228 SER CB C 13 63.729 0.125 . 1 . . . . 268 SER CB . 18779 1 1076 . 1 1 228 228 SER N N 15 115.121 0.083 . 1 . . . . 268 SER N . 18779 1 1077 . 1 1 229 229 ASN H H 1 8.278 0.014 . 1 . . . . 269 ASN H . 18779 1 1078 . 1 1 229 229 ASN C C 13 175.125 0.064 . 1 . . . . 269 ASN C . 18779 1 1079 . 1 1 229 229 ASN CA C 13 53.413 0.088 . 1 . . . . 269 ASN CA . 18779 1 1080 . 1 1 229 229 ASN CB C 13 38.928 0.125 . 1 . . . . 269 ASN CB . 18779 1 1081 . 1 1 229 229 ASN N N 15 119.882 0.022 . 1 . . . . 269 ASN N . 18779 1 1082 . 1 1 230 230 LYS H H 1 8.109 0.011 . 1 . . . . 270 LYS H . 18779 1 1083 . 1 1 230 230 LYS C C 13 176.468 0.064 . 1 . . . . 270 LYS C . 18779 1 1084 . 1 1 230 230 LYS CA C 13 56.418 0.088 . 1 . . . . 270 LYS CA . 18779 1 1085 . 1 1 230 230 LYS CB C 13 32.992 0.125 . 1 . . . . 270 LYS CB . 18779 1 1086 . 1 1 230 230 LYS N N 15 121.228 0.055 . 1 . . . . 270 LYS N . 18779 1 1087 . 1 1 231 231 LYS H H 1 8.293 0.008 . 1 . . . . 271 LYS H . 18779 1 1088 . 1 1 231 231 LYS C C 13 176.496 0.064 . 1 . . . . 271 LYS C . 18779 1 1089 . 1 1 231 231 LYS CA C 13 56.347 0.088 . 1 . . . . 271 LYS CA . 18779 1 1090 . 1 1 231 231 LYS CB C 13 33.035 0.125 . 1 . . . . 271 LYS CB . 18779 1 1091 . 1 1 231 231 LYS N N 15 122.641 0.020 . 1 . . . . 271 LYS N . 18779 1 1092 . 1 1 232 232 GLU H H 1 8.413 0.008 . 1 . . . . 272 GLU H . 18779 1 1093 . 1 1 232 232 GLU C C 13 176.003 0.064 . 1 . . . . 272 GLU C . 18779 1 1094 . 1 1 232 232 GLU CA C 13 56.498 0.088 . 1 . . . . 272 GLU CA . 18779 1 1095 . 1 1 232 232 GLU CB C 13 30.488 0.125 . 1 . . . . 272 GLU CB . 18779 1 1096 . 1 1 232 232 GLU N N 15 121.239 0.041 . 1 . . . . 272 GLU N . 18779 1 1097 . 1 1 233 233 ASN H H 1 8.401 0.010 . 1 . . . . 273 ASN H . 18779 1 1098 . 1 1 233 233 ASN C C 13 174.692 0.064 . 1 . . . . 273 ASN C . 18779 1 1099 . 1 1 233 233 ASN CA C 13 53.194 0.088 . 1 . . . . 273 ASN CA . 18779 1 1100 . 1 1 233 233 ASN CB C 13 38.977 0.125 . 1 . . . . 273 ASN CB . 18779 1 1101 . 1 1 233 233 ASN N N 15 119.030 0.035 . 1 . . . . 273 ASN N . 18779 1 1102 . 1 1 234 234 LEU H H 1 8.075 0.006 . 1 . . . . 274 LEU H . 18779 1 1103 . 1 1 234 234 LEU C C 13 175.965 0.064 . 1 . . . . 274 LEU C . 18779 1 1104 . 1 1 234 234 LEU CA C 13 55.304 0.088 . 1 . . . . 274 LEU CA . 18779 1 1105 . 1 1 234 234 LEU CB C 13 42.520 0.125 . 1 . . . . 274 LEU CB . 18779 1 1106 . 1 1 234 234 LEU N N 15 122.263 0.031 . 1 . . . . 274 LEU N . 18779 1 1107 . 1 1 235 235 TYR H H 1 7.546 0.004 . 1 . . . . 275 TYR H . 18779 1 1108 . 1 1 235 235 TYR C C 13 180.413 0.064 . 1 . . . . 275 TYR C . 18779 1 1109 . 1 1 235 235 TYR CA C 13 58.839 0.088 . 1 . . . . 275 TYR CA . 18779 1 1110 . 1 1 235 235 TYR CB C 13 39.511 0.125 . 1 . . . . 275 TYR CB . 18779 1 1111 . 1 1 235 235 TYR N N 15 124.237 0.020 . 1 . . . . 275 TYR N . 18779 1 1112 . 1 1 236 236 PHE H H 1 8.076 0.003 . 1 . . . . 276 PHE H . 18779 1 1113 . 1 1 236 236 PHE C C 13 174.486 0.064 . 1 . . . . 276 PHE C . 18779 1 1114 . 1 1 236 236 PHE CA C 13 57.395 0.088 . 1 . . . . 276 PHE CA . 18779 1 1115 . 1 1 236 236 PHE CB C 13 39.591 0.125 . 1 . . . . 276 PHE CB . 18779 1 1116 . 1 1 236 236 PHE N N 15 122.264 0.020 . 1 . . . . 276 PHE N . 18779 1 1117 . 1 1 237 237 GLN H H 1 7.721 0.005 . 1 . . . . 277 GLN H . 18779 1 1118 . 1 1 237 237 GLN C C 13 180.162 0.064 . 1 . . . . 277 GLN C . 18779 1 1119 . 1 1 237 237 GLN CA C 13 57.445 0.088 . 1 . . . . 277 GLN CA . 18779 1 1120 . 1 1 237 237 GLN CB C 13 30.975 0.125 . 1 . . . . 277 GLN CB . 18779 1 1121 . 1 1 237 237 GLN N N 15 125.881 0.032 . 1 . . . . 277 GLN N . 18779 1 stop_ save_