data_18588 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18588 _Entry.Title ; Backbone 1H, 15N, 13C Assignments of the N-terminal Part of Tyrosine tRNA Synthase from Bacillus stearothermophilus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-10 _Entry.Accession_date 2012-07-10 _Entry.Last_release_date 2012-10-18 _Entry.Original_release_date 2012-10-18 _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 'Tyrosine tRNA Synthase (YRS)is a homodimer (total MW = 72 kDa) with 319 residues in each subunit' _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 Anna Krejcirikova . . . 18588 2 Vitali Tugarinov . . . 18588 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18588 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 900 18588 '15N chemical shifts' 299 18588 '1H chemical shifts' 299 18588 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 . . 2012-10-18 2012-07-10 original author . 18588 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18588 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22960997 _Citation.Full_citation . _Citation.Title '3D-TROSY-based backbone and ILV-methyl resonance assignments of a 319-residue homodimer from a single protein sample.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 54 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 135 _Citation.Page_last 143 _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 Anna Krejcirikova . . . 18588 1 2 Vitali Tugarinov . . . 18588 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18588 _Assembly.ID 1 _Assembly.Name Tyr_tRNA_Synthase _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 72552 _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 Tyr_tRNA_Synthase 1 $Tyr_tRNA_Synthase A . yes native no no . . . 18588 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tyr_tRNA_Synthase _Entity.Sf_category entity _Entity.Sf_framecode Tyr_tRNA_Synthase _Entity.Entry_ID 18588 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tyr_tRNA_Synthase _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 ; MDLLAELQWRGLVNQTTDED GLRKLLNEERVTLYCGFDPT ADSLHIGHLATILTMRRFQQ AGHRPIALVGGATGLIGDPS GKKSERTLNAKETVEAWSAR IKEQLGRFLDFEADGNPAKI KNNYDWIGPLDVITFLRDVG KHFSVNYMMAKESVQSRIET GISFTEFSYMMLQAYDFLRL YETEGCRLQIGGSDQWGNIT AGLELIRKTKGEARAFGLTI PLVTKADGTKFGKTESGTIW LDKEKTSPYEFYQFWINTDD RDVIRYLKYFTFLSKEEIEA LEQELREAPEKRAAQKTLAE EVTKLVHGEEALRQAIRISL EHHHHHH ; _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 327 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 yes PDB 1TYD . Tyr-RS . . . . . . . . . . . . . . 18588 1 2 no PDB 1TYA . "Structural Analysis Of A Series Of Mutants Of Tyrosyl-Trna Synthetase: Enhancement Of Catalysis By Hydrophobic Interactions" . . . . . 97.55 319 99.69 99.69 0.00e+00 . . . . 18588 1 3 no PDB 1TYB . "Structural Analysis Of A Series Of Mutants Of Tyrosyl-Trna Synthetase: Enhancement Of Catalysis By Hydrophobic Interactions" . . . . . 97.55 319 99.69 99.69 0.00e+00 . . . . 18588 1 4 no PDB 1TYC . "Structural Analysis Of A Series Of Mutants Of Tyrosyl-Trna Synthetase: Enhancement Of Catalysis By Hydrophobic Interactions" . . . . . 97.55 319 99.69 99.69 0.00e+00 . . . . 18588 1 5 no PDB 1TYD . "Structure Of Tyrosyl-Trna Synthetase Refined At 2.3 Angstroms Resolution. Interaction Of The Enzyme With The Tyrosyl Adenylate " . . . . . 97.55 319 99.69 100.00 0.00e+00 . . . . 18588 1 6 no PDB 2TS1 . "Structure Of Tyrosyl-TRNA SYNTHETASE REFINED AT 2.3 ANGSTROMS Resolution. Interaction Of The Enzyme With The Tyrosyl Adenylate " . . . . . 97.55 419 100.00 100.00 0.00e+00 . . . . 18588 1 7 no PDB 3TS1 . "Structure Of Tyrosyl-t/rna Synthetase Refined At 2.3 Angstroms Resolution. Interaction Of The Enzyme With The Tyrosyl Adenylate" . . . . . 97.55 419 100.00 100.00 0.00e+00 . . . . 18588 1 8 no PDB 4TS1 . "Crystal Structure Of A Deletion Mutant Of A Tyrosyl-TRNA Synthetase Complexed With Tyrosine" . . . . . 97.55 319 99.37 99.69 0.00e+00 . . . . 18588 1 9 no DBJ BAD77088 . "tyrosyl-tRNA synthetase (tyrosine--tRNA ligase) [Geobacillus kaustophilus HTA426]" . . . . . 97.55 419 98.75 99.37 0.00e+00 . . . . 18588 1 10 no DBJ GAD11882 . "tyrosyl-tRNA synthetase 1 [Geobacillus kaustophilus GBlys]" . . . . . 97.55 419 98.43 99.37 0.00e+00 . . . . 18588 1 11 no DBJ GAJ57796 . "tyrosyl-tRNA synthetase [Geobacillus thermoleovorans B23]" . . . . . 97.55 419 98.75 99.37 0.00e+00 . . . . 18588 1 12 no GB AAA22877 . "tyrosyl-tRNA synthetase [ [[Bacillus] caldotenax]" . . . . . 97.55 419 98.75 99.37 0.00e+00 . . . . 18588 1 13 no GB ADI25737 . "tyrosyl-tRNA synthetase [Geobacillus sp. C56-T3]" . . . . . 97.55 419 97.49 98.75 0.00e+00 . . . . 18588 1 14 no GB AEV20456 . "Tyrosyl-tRNA synthetase 1 [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 97.55 429 98.43 99.37 0.00e+00 . . . . 18588 1 15 no GB AGE23390 . "tyrosyl-tRNA synthetase [Geobacillus sp. GHH01]" . . . . . 97.55 419 98.75 99.37 0.00e+00 . . . . 18588 1 16 no GB AKM20083 . "Tyrosine--tRNA ligase [Geobacillus sp. 12AMOR1]" . . . . . 97.55 442 98.43 99.37 0.00e+00 . . . . 18588 1 17 no REF WP_011232277 . "MULTISPECIES: tyrosine--tRNA ligase [Geobacillus]" . . . . . 97.55 419 98.75 99.37 0.00e+00 . . . . 18588 1 18 no REF WP_013144460 . "tyrosine--tRNA ligase [Geobacillus sp. C56-T3]" . . . . . 97.55 419 97.49 98.75 0.00e+00 . . . . 18588 1 19 no REF WP_015375638 . "MULTISPECIES: tyrosine--tRNA ligase [Geobacillus]" . . . . . 97.55 419 98.75 99.37 0.00e+00 . . . . 18588 1 20 no REF WP_020278069 . "MULTISPECIES: tyrosine--tRNA ligase [Geobacillus]" . . . . . 97.55 419 98.43 99.37 0.00e+00 . . . . 18588 1 21 no REF WP_033014498 . "tyrosine--tRNA ligase [Geobacillus stearothermophilus]" . . . . . 97.55 419 100.00 100.00 0.00e+00 . . . . 18588 1 22 no SP P00952 . "RecName: Full=Tyrosine--tRNA ligase; AltName: Full=Tyrosyl-tRNA synthetase; Short=TyrRS" . . . . . 97.55 419 100.00 100.00 0.00e+00 . . . . 18588 1 23 no SP P04077 . "RecName: Full=Tyrosine--tRNA ligase; AltName: Full=Tyrosyl-tRNA synthetase; Short=TyrRS" . . . . . 97.55 419 98.75 99.37 0.00e+00 . . . . 18588 1 24 no SP Q5KW48 . "RecName: Full=Tyrosine--tRNA ligase; AltName: Full=Tyrosyl-tRNA synthetase; Short=TyrRS" . . . . . 97.55 419 98.75 99.37 0.00e+00 . . . . 18588 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 1 MET . 18588 1 2 2 ASP . 18588 1 3 3 LEU . 18588 1 4 4 LEU . 18588 1 5 5 ALA . 18588 1 6 6 GLU . 18588 1 7 7 LEU . 18588 1 8 8 GLN . 18588 1 9 9 TRP . 18588 1 10 10 ARG . 18588 1 11 11 GLY . 18588 1 12 12 LEU . 18588 1 13 13 VAL . 18588 1 14 14 ASN . 18588 1 15 15 GLN . 18588 1 16 16 THR . 18588 1 17 17 THR . 18588 1 18 18 ASP . 18588 1 19 19 GLU . 18588 1 20 20 ASP . 18588 1 21 21 GLY . 18588 1 22 22 LEU . 18588 1 23 23 ARG . 18588 1 24 24 LYS . 18588 1 25 25 LEU . 18588 1 26 26 LEU . 18588 1 27 27 ASN . 18588 1 28 28 GLU . 18588 1 29 29 GLU . 18588 1 30 30 ARG . 18588 1 31 31 VAL . 18588 1 32 32 THR . 18588 1 33 33 LEU . 18588 1 34 34 TYR . 18588 1 35 35 CYS . 18588 1 36 36 GLY . 18588 1 37 37 PHE . 18588 1 38 38 ASP . 18588 1 39 39 PRO . 18588 1 40 40 THR . 18588 1 41 41 ALA . 18588 1 42 42 ASP . 18588 1 43 43 SER . 18588 1 44 44 LEU . 18588 1 45 45 HIS . 18588 1 46 46 ILE . 18588 1 47 47 GLY . 18588 1 48 48 HIS . 18588 1 49 49 LEU . 18588 1 50 50 ALA . 18588 1 51 51 THR . 18588 1 52 52 ILE . 18588 1 53 53 LEU . 18588 1 54 54 THR . 18588 1 55 55 MET . 18588 1 56 56 ARG . 18588 1 57 57 ARG . 18588 1 58 58 PHE . 18588 1 59 59 GLN . 18588 1 60 60 GLN . 18588 1 61 61 ALA . 18588 1 62 62 GLY . 18588 1 63 63 HIS . 18588 1 64 64 ARG . 18588 1 65 65 PRO . 18588 1 66 66 ILE . 18588 1 67 67 ALA . 18588 1 68 68 LEU . 18588 1 69 69 VAL . 18588 1 70 70 GLY . 18588 1 71 71 GLY . 18588 1 72 72 ALA . 18588 1 73 73 THR . 18588 1 74 74 GLY . 18588 1 75 75 LEU . 18588 1 76 76 ILE . 18588 1 77 77 GLY . 18588 1 78 78 ASP . 18588 1 79 79 PRO . 18588 1 80 80 SER . 18588 1 81 81 GLY . 18588 1 82 82 LYS . 18588 1 83 83 LYS . 18588 1 84 84 SER . 18588 1 85 85 GLU . 18588 1 86 86 ARG . 18588 1 87 87 THR . 18588 1 88 88 LEU . 18588 1 89 89 ASN . 18588 1 90 90 ALA . 18588 1 91 91 LYS . 18588 1 92 92 GLU . 18588 1 93 93 THR . 18588 1 94 94 VAL . 18588 1 95 95 GLU . 18588 1 96 96 ALA . 18588 1 97 97 TRP . 18588 1 98 98 SER . 18588 1 99 99 ALA . 18588 1 100 100 ARG . 18588 1 101 101 ILE . 18588 1 102 102 LYS . 18588 1 103 103 GLU . 18588 1 104 104 GLN . 18588 1 105 105 LEU . 18588 1 106 106 GLY . 18588 1 107 107 ARG . 18588 1 108 108 PHE . 18588 1 109 109 LEU . 18588 1 110 110 ASP . 18588 1 111 111 PHE . 18588 1 112 112 GLU . 18588 1 113 113 ALA . 18588 1 114 114 ASP . 18588 1 115 115 GLY . 18588 1 116 116 ASN . 18588 1 117 117 PRO . 18588 1 118 118 ALA . 18588 1 119 119 LYS . 18588 1 120 120 ILE . 18588 1 121 121 LYS . 18588 1 122 122 ASN . 18588 1 123 123 ASN . 18588 1 124 124 TYR . 18588 1 125 125 ASP . 18588 1 126 126 TRP . 18588 1 127 127 ILE . 18588 1 128 128 GLY . 18588 1 129 129 PRO . 18588 1 130 130 LEU . 18588 1 131 131 ASP . 18588 1 132 132 VAL . 18588 1 133 133 ILE . 18588 1 134 134 THR . 18588 1 135 135 PHE . 18588 1 136 136 LEU . 18588 1 137 137 ARG . 18588 1 138 138 ASP . 18588 1 139 139 VAL . 18588 1 140 140 GLY . 18588 1 141 141 LYS . 18588 1 142 142 HIS . 18588 1 143 143 PHE . 18588 1 144 144 SER . 18588 1 145 145 VAL . 18588 1 146 146 ASN . 18588 1 147 147 TYR . 18588 1 148 148 MET . 18588 1 149 149 MET . 18588 1 150 150 ALA . 18588 1 151 151 LYS . 18588 1 152 152 GLU . 18588 1 153 153 SER . 18588 1 154 154 VAL . 18588 1 155 155 GLN . 18588 1 156 156 SER . 18588 1 157 157 ARG . 18588 1 158 158 ILE . 18588 1 159 159 GLU . 18588 1 160 160 THR . 18588 1 161 161 GLY . 18588 1 162 162 ILE . 18588 1 163 163 SER . 18588 1 164 164 PHE . 18588 1 165 165 THR . 18588 1 166 166 GLU . 18588 1 167 167 PHE . 18588 1 168 168 SER . 18588 1 169 169 TYR . 18588 1 170 170 MET . 18588 1 171 171 MET . 18588 1 172 172 LEU . 18588 1 173 173 GLN . 18588 1 174 174 ALA . 18588 1 175 175 TYR . 18588 1 176 176 ASP . 18588 1 177 177 PHE . 18588 1 178 178 LEU . 18588 1 179 179 ARG . 18588 1 180 180 LEU . 18588 1 181 181 TYR . 18588 1 182 182 GLU . 18588 1 183 183 THR . 18588 1 184 184 GLU . 18588 1 185 185 GLY . 18588 1 186 186 CYS . 18588 1 187 187 ARG . 18588 1 188 188 LEU . 18588 1 189 189 GLN . 18588 1 190 190 ILE . 18588 1 191 191 GLY . 18588 1 192 192 GLY . 18588 1 193 193 SER . 18588 1 194 194 ASP . 18588 1 195 195 GLN . 18588 1 196 196 TRP . 18588 1 197 197 GLY . 18588 1 198 198 ASN . 18588 1 199 199 ILE . 18588 1 200 200 THR . 18588 1 201 201 ALA . 18588 1 202 202 GLY . 18588 1 203 203 LEU . 18588 1 204 204 GLU . 18588 1 205 205 LEU . 18588 1 206 206 ILE . 18588 1 207 207 ARG . 18588 1 208 208 LYS . 18588 1 209 209 THR . 18588 1 210 210 LYS . 18588 1 211 211 GLY . 18588 1 212 212 GLU . 18588 1 213 213 ALA . 18588 1 214 214 ARG . 18588 1 215 215 ALA . 18588 1 216 216 PHE . 18588 1 217 217 GLY . 18588 1 218 218 LEU . 18588 1 219 219 THR . 18588 1 220 220 ILE . 18588 1 221 221 PRO . 18588 1 222 222 LEU . 18588 1 223 223 VAL . 18588 1 224 224 THR . 18588 1 225 225 LYS . 18588 1 226 226 ALA . 18588 1 227 227 ASP . 18588 1 228 228 GLY . 18588 1 229 229 THR . 18588 1 230 230 LYS . 18588 1 231 231 PHE . 18588 1 232 232 GLY . 18588 1 233 233 LYS . 18588 1 234 234 THR . 18588 1 235 235 GLU . 18588 1 236 236 SER . 18588 1 237 237 GLY . 18588 1 238 238 THR . 18588 1 239 239 ILE . 18588 1 240 240 TRP . 18588 1 241 241 LEU . 18588 1 242 242 ASP . 18588 1 243 243 LYS . 18588 1 244 244 GLU . 18588 1 245 245 LYS . 18588 1 246 246 THR . 18588 1 247 247 SER . 18588 1 248 248 PRO . 18588 1 249 249 TYR . 18588 1 250 250 GLU . 18588 1 251 251 PHE . 18588 1 252 252 TYR . 18588 1 253 253 GLN . 18588 1 254 254 PHE . 18588 1 255 255 TRP . 18588 1 256 256 ILE . 18588 1 257 257 ASN . 18588 1 258 258 THR . 18588 1 259 259 ASP . 18588 1 260 260 ASP . 18588 1 261 261 ARG . 18588 1 262 262 ASP . 18588 1 263 263 VAL . 18588 1 264 264 ILE . 18588 1 265 265 ARG . 18588 1 266 266 TYR . 18588 1 267 267 LEU . 18588 1 268 268 LYS . 18588 1 269 269 TYR . 18588 1 270 270 PHE . 18588 1 271 271 THR . 18588 1 272 272 PHE . 18588 1 273 273 LEU . 18588 1 274 274 SER . 18588 1 275 275 LYS . 18588 1 276 276 GLU . 18588 1 277 277 GLU . 18588 1 278 278 ILE . 18588 1 279 279 GLU . 18588 1 280 280 ALA . 18588 1 281 281 LEU . 18588 1 282 282 GLU . 18588 1 283 283 GLN . 18588 1 284 284 GLU . 18588 1 285 285 LEU . 18588 1 286 286 ARG . 18588 1 287 287 GLU . 18588 1 288 288 ALA . 18588 1 289 289 PRO . 18588 1 290 290 GLU . 18588 1 291 291 LYS . 18588 1 292 292 ARG . 18588 1 293 293 ALA . 18588 1 294 294 ALA . 18588 1 295 295 GLN . 18588 1 296 296 LYS . 18588 1 297 297 THR . 18588 1 298 298 LEU . 18588 1 299 299 ALA . 18588 1 300 300 GLU . 18588 1 301 301 GLU . 18588 1 302 302 VAL . 18588 1 303 303 THR . 18588 1 304 304 LYS . 18588 1 305 305 LEU . 18588 1 306 306 VAL . 18588 1 307 307 HIS . 18588 1 308 308 GLY . 18588 1 309 309 GLU . 18588 1 310 310 GLU . 18588 1 311 311 ALA . 18588 1 312 312 LEU . 18588 1 313 313 ARG . 18588 1 314 314 GLN . 18588 1 315 315 ALA . 18588 1 316 316 ILE . 18588 1 317 317 ARG . 18588 1 318 318 ILE . 18588 1 319 319 SER . 18588 1 320 320 LEU . 18588 1 321 321 GLU . 18588 1 322 322 HIS . 18588 1 323 323 HIS . 18588 1 324 324 HIS . 18588 1 325 325 HIS . 18588 1 326 326 HIS . 18588 1 327 327 HIS . 18588 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 18588 1 . ASP 2 2 18588 1 . LEU 3 3 18588 1 . LEU 4 4 18588 1 . ALA 5 5 18588 1 . GLU 6 6 18588 1 . LEU 7 7 18588 1 . GLN 8 8 18588 1 . TRP 9 9 18588 1 . ARG 10 10 18588 1 . GLY 11 11 18588 1 . LEU 12 12 18588 1 . VAL 13 13 18588 1 . ASN 14 14 18588 1 . GLN 15 15 18588 1 . THR 16 16 18588 1 . THR 17 17 18588 1 . ASP 18 18 18588 1 . GLU 19 19 18588 1 . ASP 20 20 18588 1 . GLY 21 21 18588 1 . LEU 22 22 18588 1 . ARG 23 23 18588 1 . LYS 24 24 18588 1 . LEU 25 25 18588 1 . LEU 26 26 18588 1 . ASN 27 27 18588 1 . GLU 28 28 18588 1 . GLU 29 29 18588 1 . ARG 30 30 18588 1 . VAL 31 31 18588 1 . THR 32 32 18588 1 . LEU 33 33 18588 1 . TYR 34 34 18588 1 . CYS 35 35 18588 1 . GLY 36 36 18588 1 . PHE 37 37 18588 1 . ASP 38 38 18588 1 . PRO 39 39 18588 1 . THR 40 40 18588 1 . ALA 41 41 18588 1 . ASP 42 42 18588 1 . SER 43 43 18588 1 . LEU 44 44 18588 1 . HIS 45 45 18588 1 . ILE 46 46 18588 1 . GLY 47 47 18588 1 . HIS 48 48 18588 1 . LEU 49 49 18588 1 . ALA 50 50 18588 1 . THR 51 51 18588 1 . ILE 52 52 18588 1 . LEU 53 53 18588 1 . THR 54 54 18588 1 . MET 55 55 18588 1 . ARG 56 56 18588 1 . ARG 57 57 18588 1 . PHE 58 58 18588 1 . GLN 59 59 18588 1 . GLN 60 60 18588 1 . ALA 61 61 18588 1 . GLY 62 62 18588 1 . HIS 63 63 18588 1 . ARG 64 64 18588 1 . PRO 65 65 18588 1 . ILE 66 66 18588 1 . ALA 67 67 18588 1 . LEU 68 68 18588 1 . VAL 69 69 18588 1 . GLY 70 70 18588 1 . GLY 71 71 18588 1 . ALA 72 72 18588 1 . THR 73 73 18588 1 . GLY 74 74 18588 1 . LEU 75 75 18588 1 . ILE 76 76 18588 1 . GLY 77 77 18588 1 . ASP 78 78 18588 1 . PRO 79 79 18588 1 . SER 80 80 18588 1 . GLY 81 81 18588 1 . LYS 82 82 18588 1 . LYS 83 83 18588 1 . SER 84 84 18588 1 . GLU 85 85 18588 1 . ARG 86 86 18588 1 . THR 87 87 18588 1 . LEU 88 88 18588 1 . ASN 89 89 18588 1 . ALA 90 90 18588 1 . LYS 91 91 18588 1 . GLU 92 92 18588 1 . THR 93 93 18588 1 . VAL 94 94 18588 1 . GLU 95 95 18588 1 . ALA 96 96 18588 1 . TRP 97 97 18588 1 . SER 98 98 18588 1 . ALA 99 99 18588 1 . ARG 100 100 18588 1 . ILE 101 101 18588 1 . LYS 102 102 18588 1 . GLU 103 103 18588 1 . GLN 104 104 18588 1 . LEU 105 105 18588 1 . GLY 106 106 18588 1 . ARG 107 107 18588 1 . PHE 108 108 18588 1 . LEU 109 109 18588 1 . ASP 110 110 18588 1 . PHE 111 111 18588 1 . GLU 112 112 18588 1 . ALA 113 113 18588 1 . ASP 114 114 18588 1 . GLY 115 115 18588 1 . ASN 116 116 18588 1 . PRO 117 117 18588 1 . ALA 118 118 18588 1 . LYS 119 119 18588 1 . ILE 120 120 18588 1 . LYS 121 121 18588 1 . ASN 122 122 18588 1 . ASN 123 123 18588 1 . TYR 124 124 18588 1 . ASP 125 125 18588 1 . TRP 126 126 18588 1 . ILE 127 127 18588 1 . GLY 128 128 18588 1 . PRO 129 129 18588 1 . LEU 130 130 18588 1 . ASP 131 131 18588 1 . VAL 132 132 18588 1 . ILE 133 133 18588 1 . THR 134 134 18588 1 . PHE 135 135 18588 1 . LEU 136 136 18588 1 . ARG 137 137 18588 1 . ASP 138 138 18588 1 . VAL 139 139 18588 1 . GLY 140 140 18588 1 . LYS 141 141 18588 1 . HIS 142 142 18588 1 . PHE 143 143 18588 1 . SER 144 144 18588 1 . VAL 145 145 18588 1 . ASN 146 146 18588 1 . TYR 147 147 18588 1 . MET 148 148 18588 1 . MET 149 149 18588 1 . ALA 150 150 18588 1 . LYS 151 151 18588 1 . GLU 152 152 18588 1 . SER 153 153 18588 1 . VAL 154 154 18588 1 . GLN 155 155 18588 1 . SER 156 156 18588 1 . ARG 157 157 18588 1 . ILE 158 158 18588 1 . GLU 159 159 18588 1 . THR 160 160 18588 1 . GLY 161 161 18588 1 . ILE 162 162 18588 1 . SER 163 163 18588 1 . PHE 164 164 18588 1 . THR 165 165 18588 1 . GLU 166 166 18588 1 . PHE 167 167 18588 1 . SER 168 168 18588 1 . TYR 169 169 18588 1 . MET 170 170 18588 1 . MET 171 171 18588 1 . LEU 172 172 18588 1 . GLN 173 173 18588 1 . ALA 174 174 18588 1 . TYR 175 175 18588 1 . ASP 176 176 18588 1 . PHE 177 177 18588 1 . LEU 178 178 18588 1 . ARG 179 179 18588 1 . LEU 180 180 18588 1 . TYR 181 181 18588 1 . GLU 182 182 18588 1 . THR 183 183 18588 1 . GLU 184 184 18588 1 . GLY 185 185 18588 1 . CYS 186 186 18588 1 . ARG 187 187 18588 1 . LEU 188 188 18588 1 . GLN 189 189 18588 1 . ILE 190 190 18588 1 . GLY 191 191 18588 1 . GLY 192 192 18588 1 . SER 193 193 18588 1 . ASP 194 194 18588 1 . GLN 195 195 18588 1 . TRP 196 196 18588 1 . GLY 197 197 18588 1 . ASN 198 198 18588 1 . ILE 199 199 18588 1 . THR 200 200 18588 1 . ALA 201 201 18588 1 . GLY 202 202 18588 1 . LEU 203 203 18588 1 . GLU 204 204 18588 1 . LEU 205 205 18588 1 . ILE 206 206 18588 1 . ARG 207 207 18588 1 . LYS 208 208 18588 1 . THR 209 209 18588 1 . LYS 210 210 18588 1 . GLY 211 211 18588 1 . GLU 212 212 18588 1 . ALA 213 213 18588 1 . ARG 214 214 18588 1 . ALA 215 215 18588 1 . PHE 216 216 18588 1 . GLY 217 217 18588 1 . LEU 218 218 18588 1 . THR 219 219 18588 1 . ILE 220 220 18588 1 . PRO 221 221 18588 1 . LEU 222 222 18588 1 . VAL 223 223 18588 1 . THR 224 224 18588 1 . LYS 225 225 18588 1 . ALA 226 226 18588 1 . ASP 227 227 18588 1 . GLY 228 228 18588 1 . THR 229 229 18588 1 . LYS 230 230 18588 1 . PHE 231 231 18588 1 . GLY 232 232 18588 1 . LYS 233 233 18588 1 . THR 234 234 18588 1 . GLU 235 235 18588 1 . SER 236 236 18588 1 . GLY 237 237 18588 1 . THR 238 238 18588 1 . ILE 239 239 18588 1 . TRP 240 240 18588 1 . LEU 241 241 18588 1 . ASP 242 242 18588 1 . LYS 243 243 18588 1 . GLU 244 244 18588 1 . LYS 245 245 18588 1 . THR 246 246 18588 1 . SER 247 247 18588 1 . PRO 248 248 18588 1 . TYR 249 249 18588 1 . GLU 250 250 18588 1 . PHE 251 251 18588 1 . TYR 252 252 18588 1 . GLN 253 253 18588 1 . PHE 254 254 18588 1 . TRP 255 255 18588 1 . ILE 256 256 18588 1 . ASN 257 257 18588 1 . THR 258 258 18588 1 . ASP 259 259 18588 1 . ASP 260 260 18588 1 . ARG 261 261 18588 1 . ASP 262 262 18588 1 . VAL 263 263 18588 1 . ILE 264 264 18588 1 . ARG 265 265 18588 1 . TYR 266 266 18588 1 . LEU 267 267 18588 1 . LYS 268 268 18588 1 . TYR 269 269 18588 1 . PHE 270 270 18588 1 . THR 271 271 18588 1 . PHE 272 272 18588 1 . LEU 273 273 18588 1 . SER 274 274 18588 1 . LYS 275 275 18588 1 . GLU 276 276 18588 1 . GLU 277 277 18588 1 . ILE 278 278 18588 1 . GLU 279 279 18588 1 . ALA 280 280 18588 1 . LEU 281 281 18588 1 . GLU 282 282 18588 1 . GLN 283 283 18588 1 . GLU 284 284 18588 1 . LEU 285 285 18588 1 . ARG 286 286 18588 1 . GLU 287 287 18588 1 . ALA 288 288 18588 1 . PRO 289 289 18588 1 . GLU 290 290 18588 1 . LYS 291 291 18588 1 . ARG 292 292 18588 1 . ALA 293 293 18588 1 . ALA 294 294 18588 1 . GLN 295 295 18588 1 . LYS 296 296 18588 1 . THR 297 297 18588 1 . LEU 298 298 18588 1 . ALA 299 299 18588 1 . GLU 300 300 18588 1 . GLU 301 301 18588 1 . VAL 302 302 18588 1 . THR 303 303 18588 1 . LYS 304 304 18588 1 . LEU 305 305 18588 1 . VAL 306 306 18588 1 . HIS 307 307 18588 1 . GLY 308 308 18588 1 . GLU 309 309 18588 1 . GLU 310 310 18588 1 . ALA 311 311 18588 1 . LEU 312 312 18588 1 . ARG 313 313 18588 1 . GLN 314 314 18588 1 . ALA 315 315 18588 1 . ILE 316 316 18588 1 . ARG 317 317 18588 1 . ILE 318 318 18588 1 . SER 319 319 18588 1 . LEU 320 320 18588 1 . GLU 321 321 18588 1 . HIS 322 322 18588 1 . HIS 323 323 18588 1 . HIS 324 324 18588 1 . HIS 325 325 18588 1 . HIS 326 326 18588 1 . HIS 327 327 18588 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 18588 _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 $Tyr_tRNA_Synthase . 1422 organism . 'Bacillus stearothermophilus' 'Bacillus stearothermophilus' . . Bacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 18588 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 18588 _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 $Tyr_tRNA_Synthase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pet15b . . . . . . 18588 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18588 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; pH = 6.8 5 mM DTT ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Tyr tRNA Synthase' '[U-13C; U-15N; U-2H]' . . 1 $Tyr_tRNA_Synthase . . 0.8 . . mM . . . . 18588 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18588 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18588 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18588 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 18588 _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 pH 6.8 . pH 18588 1 pressure 1 . atm 18588 1 temperature 273 . K 18588 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18588 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18588 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18588 1 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 18588 _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 18588 _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 . . . 18588 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 18588 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18588 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18588 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18588 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18588 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18588 1 stop_ 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 18588 _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 . . . . . . . . . 18588 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18588 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18588 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 18588 _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 '3D HNCACB' . . . 18588 1 2 '3D HN(CO)CA' . . . 18588 1 3 '3D HNCA' . . . 18588 1 4 '3D HN(COCA)CB' . . . 18588 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 2 2 ASP C C 13 175.6 0.15 . 1 . . . . 2 D C . 18588 1 2 . 1 1 2 2 ASP CA C 13 52.8 0.15 . 1 . . . . 2 D CA . 18588 1 3 . 1 1 2 2 ASP CB C 13 40.6 0.15 . 1 . . . . 2 D CB . 18588 1 4 . 1 1 3 3 LEU H H 1 8.67 0.02 . 1 . . . . 3 L H . 18588 1 5 . 1 1 3 3 LEU C C 13 178.4 0.15 . 1 . . . . 3 L C . 18588 1 6 . 1 1 3 3 LEU CA C 13 57.5 0.15 . 1 . . . . 3 L CA . 18588 1 7 . 1 1 3 3 LEU CB C 13 40.7 0.15 . 1 . . . . 3 L CB . 18588 1 8 . 1 1 3 3 LEU N N 15 126.03 0.15 . 1 . . . . 3 L N . 18588 1 9 . 1 1 4 4 LEU H H 1 8.22 0.02 . 1 . . . . 4 L H . 18588 1 10 . 1 1 4 4 LEU C C 13 178.4 0.15 . 1 . . . . 4 L C . 18588 1 11 . 1 1 4 4 LEU CA C 13 57.7 0.15 . 1 . . . . 4 L CA . 18588 1 12 . 1 1 4 4 LEU CB C 13 40.1 0.15 . 1 . . . . 4 L CB . 18588 1 13 . 1 1 4 4 LEU N N 15 118.83 0.15 . 1 . . . . 4 L N . 18588 1 14 . 1 1 5 5 ALA H H 1 7.88 0.02 . 1 . . . . 5 A H . 18588 1 15 . 1 1 5 5 ALA C C 13 180.9 0.15 . 1 . . . . 5 A C . 18588 1 16 . 1 1 5 5 ALA CA C 13 54.1 0.15 . 1 . . . . 5 A CA . 18588 1 17 . 1 1 5 5 ALA CB C 13 17.4 0.15 . 1 . . . . 5 A CB . 18588 1 18 . 1 1 5 5 ALA N N 15 120.60 0.15 . 1 . . . . 5 A N . 18588 1 19 . 1 1 6 6 GLU H H 1 8.06 0.02 . 1 . . . . 6 E H . 18588 1 20 . 1 1 6 6 GLU C C 13 176.8 0.15 . 1 . . . . 6 E C . 18588 1 21 . 1 1 6 6 GLU CA C 13 58.8 0.15 . 1 . . . . 6 E CA . 18588 1 22 . 1 1 6 6 GLU CB C 13 27.4 0.15 . 1 . . . . 6 E CB . 18588 1 23 . 1 1 6 6 GLU N N 15 122.14 0.15 . 1 . . . . 6 E N . 18588 1 24 . 1 1 7 7 LEU H H 1 8.48 0.02 . 1 . . . . 7 L H . 18588 1 25 . 1 1 7 7 LEU C C 13 179.3 0.15 . 1 . . . . 7 L C . 18588 1 26 . 1 1 7 7 LEU CA C 13 57.5 0.15 . 1 . . . . 7 L CA . 18588 1 27 . 1 1 7 7 LEU CB C 13 40.2 0.15 . 1 . . . . 7 L CB . 18588 1 28 . 1 1 7 7 LEU N N 15 119.06 0.15 . 1 . . . . 7 L N . 18588 1 29 . 1 1 8 8 GLN H H 1 8.49 0.02 . 1 . . . . 8 Q H . 18588 1 30 . 1 1 8 8 GLN CA C 13 58.6 0.15 . 1 . . . . 8 Q CA . 18588 1 31 . 1 1 8 8 GLN CB C 13 27.6 0.15 . 1 . . . . 8 Q CB . 18588 1 32 . 1 1 8 8 GLN N N 15 118.66 0.15 . 1 . . . . 8 Q N . 18588 1 33 . 1 1 10 10 ARG C C 13 175.0 0.15 . 1 . . . . 10 R C . 18588 1 34 . 1 1 10 10 ARG CA C 13 57.4 0.15 . 1 . . . . 10 R CA . 18588 1 35 . 1 1 10 10 ARG CB C 13 29.6 0.15 . 1 . . . . 10 R CB . 18588 1 36 . 1 1 11 11 GLY H H 1 7.55 0.02 . 1 . . . . 11 G H . 18588 1 37 . 1 1 11 11 GLY C C 13 175.8 0.15 . 1 . . . . 11 G C . 18588 1 38 . 1 1 11 11 GLY CA C 13 45.2 0.15 . 1 . . . . 11 G CA . 18588 1 39 . 1 1 11 11 GLY N N 15 106.56 0.15 . 1 . . . . 11 G N . 18588 1 40 . 1 1 12 12 LEU H H 1 7.73 0.02 . 1 . . . . 12 L H . 18588 1 41 . 1 1 12 12 LEU C C 13 173.5 0.15 . 1 . . . . 12 L C . 18588 1 42 . 1 1 12 12 LEU CA C 13 54.3 0.15 . 1 . . . . 12 L CA . 18588 1 43 . 1 1 12 12 LEU CB C 13 43.0 0.15 . 1 . . . . 12 L CB . 18588 1 44 . 1 1 12 12 LEU N N 15 117.46 0.15 . 1 . . . . 12 L N . 18588 1 45 . 1 1 13 13 VAL H H 1 7.23 0.02 . 1 . . . . 13 V H . 18588 1 46 . 1 1 13 13 VAL C C 13 175.7 0.15 . 1 . . . . 13 V C . 18588 1 47 . 1 1 13 13 VAL CA C 13 60.7 0.15 . 1 . . . . 13 V CA . 18588 1 48 . 1 1 13 13 VAL CB C 13 31.7 0.15 . 1 . . . . 13 V CB . 18588 1 49 . 1 1 13 13 VAL N N 15 115.11 0.15 . 1 . . . . 13 V N . 18588 1 50 . 1 1 14 14 ASN H H 1 9.38 0.02 . 1 . . . . 14 N H . 18588 1 51 . 1 1 14 14 ASN C C 13 174.3 0.15 . 1 . . . . 14 N C . 18588 1 52 . 1 1 14 14 ASN CA C 13 54.7 0.15 . 1 . . . . 14 N CA . 18588 1 53 . 1 1 14 14 ASN CB C 13 38.3 0.15 . 1 . . . . 14 N CB . 18588 1 54 . 1 1 14 14 ASN N N 15 128.68 0.15 . 1 . . . . 14 N N . 18588 1 55 . 1 1 15 15 GLN H H 1 7.24 0.02 . 1 . . . . 15 Q H . 18588 1 56 . 1 1 15 15 GLN C C 13 174.0 0.15 . 1 . . . . 15 Q C . 18588 1 57 . 1 1 15 15 GLN CA C 13 54.5 0.15 . 1 . . . . 15 Q CA . 18588 1 58 . 1 1 15 15 GLN CB C 13 31.9 0.15 . 1 . . . . 15 Q CB . 18588 1 59 . 1 1 15 15 GLN N N 15 115.80 0.15 . 1 . . . . 15 Q N . 18588 1 60 . 1 1 16 16 THR H H 1 8.16 0.02 . 1 . . . . 16 T H . 18588 1 61 . 1 1 16 16 THR C C 13 174.7 0.15 . 1 . . . . 16 T C . 18588 1 62 . 1 1 16 16 THR CA C 13 59.9 0.15 . 1 . . . . 16 T CA . 18588 1 63 . 1 1 16 16 THR CB C 13 70.9 0.15 . 1 . . . . 16 T CB . 18588 1 64 . 1 1 16 16 THR N N 15 112.02 0.15 . 1 . . . . 16 T N . 18588 1 65 . 1 1 17 17 THR H H 1 8.33 0.02 . 1 . . . . 17 T H . 18588 1 66 . 1 1 17 17 THR C C 13 175.5 0.15 . 1 . . . . 17 T C . 18588 1 67 . 1 1 17 17 THR CA C 13 63.9 0.15 . 1 . . . . 17 T CA . 18588 1 68 . 1 1 17 17 THR CB C 13 67.8 0.15 . 1 . . . . 17 T CB . 18588 1 69 . 1 1 17 17 THR N N 15 114.35 0.15 . 1 . . . . 17 T N . 18588 1 70 . 1 1 18 18 ASP H H 1 7.18 0.02 . 1 . . . . 18 D H . 18588 1 71 . 1 1 18 18 ASP C C 13 175.0 0.15 . 1 . . . . 18 D C . 18588 1 72 . 1 1 18 18 ASP CA C 13 54.1 0.15 . 1 . . . . 18 D CA . 18588 1 73 . 1 1 18 18 ASP CB C 13 40.3 0.15 . 1 . . . . 18 D CB . 18588 1 74 . 1 1 18 18 ASP N N 15 119.57 0.15 . 1 . . . . 18 D N . 18588 1 75 . 1 1 19 19 GLU H H 1 8.79 0.02 . 1 . . . . 19 E H . 18588 1 76 . 1 1 19 19 GLU C C 13 177.1 0.15 . 1 . . . . 19 E C . 18588 1 77 . 1 1 19 19 GLU CA C 13 60.5 0.15 . 1 . . . . 19 E CA . 18588 1 78 . 1 1 19 19 GLU CB C 13 29.0 0.15 . 1 . . . . 19 E CB . 18588 1 79 . 1 1 19 19 GLU N N 15 129.01 0.15 . 1 . . . . 19 E N . 18588 1 80 . 1 1 20 20 ASP H H 1 8.24 0.02 . 1 . . . . 20 D H . 18588 1 81 . 1 1 20 20 ASP C C 13 179.5 0.15 . 1 . . . . 20 D C . 18588 1 82 . 1 1 20 20 ASP CA C 13 57.0 0.15 . 1 . . . . 20 D CA . 18588 1 83 . 1 1 20 20 ASP CB C 13 40.3 0.15 . 1 . . . . 20 D CB . 18588 1 84 . 1 1 20 20 ASP N N 15 117.89 0.15 . 1 . . . . 20 D N . 18588 1 85 . 1 1 21 21 GLY H H 1 8.41 0.02 . 1 . . . . 21 G H . 18588 1 86 . 1 1 21 21 GLY C C 13 176.1 0.15 . 1 . . . . 21 G C . 18588 1 87 . 1 1 21 21 GLY CA C 13 47.1 0.15 . 1 . . . . 21 G CA . 18588 1 88 . 1 1 21 21 GLY N N 15 109.23 0.15 . 1 . . . . 21 G N . 18588 1 89 . 1 1 22 22 LEU H H 1 7.88 0.02 . 1 . . . . 22 L H . 18588 1 90 . 1 1 22 22 LEU C C 13 177.0 0.15 . 1 . . . . 22 L C . 18588 1 91 . 1 1 22 22 LEU CA C 13 56.5 0.15 . 1 . . . . 22 L CA . 18588 1 92 . 1 1 22 22 LEU CB C 13 39.9 0.15 . 1 . . . . 22 L CB . 18588 1 93 . 1 1 22 22 LEU N N 15 125.63 0.15 . 1 . . . . 22 L N . 18588 1 94 . 1 1 23 23 ARG H H 1 8.20 0.02 . 1 . . . . 23 R H . 18588 1 95 . 1 1 23 23 ARG C C 13 178.2 0.15 . 1 . . . . 23 R C . 18588 1 96 . 1 1 23 23 ARG CA C 13 59.2 0.15 . 1 . . . . 23 R CA . 18588 1 97 . 1 1 23 23 ARG CB C 13 29.0 0.15 . 1 . . . . 23 R CB . 18588 1 98 . 1 1 23 23 ARG N N 15 120.23 0.15 . 1 . . . . 23 R N . 18588 1 99 . 1 1 24 24 LYS H H 1 7.36 0.02 . 1 . . . . 24 K H . 18588 1 100 . 1 1 24 24 LYS C C 13 178.1 0.15 . 1 . . . . 24 K C . 18588 1 101 . 1 1 24 24 LYS CA C 13 59.2 0.15 . 1 . . . . 24 K CA . 18588 1 102 . 1 1 24 24 LYS CB C 13 31.9 0.15 . 1 . . . . 24 K CB . 18588 1 103 . 1 1 24 24 LYS N N 15 117.53 0.15 . 1 . . . . 24 K N . 18588 1 104 . 1 1 25 25 LEU H H 1 7.41 0.02 . 1 . . . . 25 L H . 18588 1 105 . 1 1 25 25 LEU C C 13 178.2 0.15 . 1 . . . . 25 L C . 18588 1 106 . 1 1 25 25 LEU CA C 13 58.3 0.15 . 1 . . . . 25 L CA . 18588 1 107 . 1 1 25 25 LEU CB C 13 40.9 0.15 . 1 . . . . 25 L CB . 18588 1 108 . 1 1 25 25 LEU N N 15 119.63 0.15 . 1 . . . . 25 L N . 18588 1 109 . 1 1 26 26 LEU H H 1 8.10 0.02 . 1 . . . . 26 L H . 18588 1 110 . 1 1 26 26 LEU C C 13 178.7 0.15 . 1 . . . . 26 L C . 18588 1 111 . 1 1 26 26 LEU CA C 13 56.5 0.15 . 1 . . . . 26 L CA . 18588 1 112 . 1 1 26 26 LEU CB C 13 40.5 0.15 . 1 . . . . 26 L CB . 18588 1 113 . 1 1 26 26 LEU N N 15 113.76 0.15 . 1 . . . . 26 L N . 18588 1 114 . 1 1 27 27 ASN H H 1 7.67 0.02 . 1 . . . . 27 N H . 18588 1 115 . 1 1 27 27 ASN C C 13 177.2 0.15 . 1 . . . . 27 N C . 18588 1 116 . 1 1 27 27 ASN CA C 13 54.0 0.15 . 1 . . . . 27 N CA . 18588 1 117 . 1 1 27 27 ASN CB C 13 38.7 0.15 . 1 . . . . 27 N CB . 18588 1 118 . 1 1 27 27 ASN N N 15 115.18 0.15 . 1 . . . . 27 N N . 18588 1 119 . 1 1 28 28 GLU H H 1 7.88 0.02 . 1 . . . . 28 E H . 18588 1 120 . 1 1 28 28 GLU C C 13 176.4 0.15 . 1 . . . . 28 E C . 18588 1 121 . 1 1 28 28 GLU CA C 13 57.2 0.15 . 1 . . . . 28 E CA . 18588 1 122 . 1 1 28 28 GLU CB C 13 31.5 0.15 . 1 . . . . 28 E CB . 18588 1 123 . 1 1 28 28 GLU N N 15 118.93 0.15 . 1 . . . . 28 E N . 18588 1 124 . 1 1 29 29 GLU H H 1 8.39 0.02 . 1 . . . . 29 E H . 18588 1 125 . 1 1 29 29 GLU C C 13 174.5 0.15 . 1 . . . . 29 E C . 18588 1 126 . 1 1 29 29 GLU CA C 13 54.5 0.15 . 1 . . . . 29 E CA . 18588 1 127 . 1 1 29 29 GLU CB C 13 32.5 0.15 . 1 . . . . 29 E CB . 18588 1 128 . 1 1 29 29 GLU N N 15 119.26 0.15 . 1 . . . . 29 E N . 18588 1 129 . 1 1 30 30 ARG H H 1 7.96 0.02 . 1 . . . . 30 R H . 18588 1 130 . 1 1 30 30 ARG C C 13 177.2 0.15 . 1 . . . . 30 R C . 18588 1 131 . 1 1 30 30 ARG CA C 13 54.9 0.15 . 1 . . . . 30 R CA . 18588 1 132 . 1 1 30 30 ARG CB C 13 29.0 0.15 . 1 . . . . 30 R CB . 18588 1 133 . 1 1 30 30 ARG N N 15 118.83 0.15 . 1 . . . . 30 R N . 18588 1 134 . 1 1 31 31 VAL H H 1 12.04 0.02 . 1 . . . . 31 V H . 18588 1 135 . 1 1 31 31 VAL C C 13 175.8 0.15 . 1 . . . . 31 V C . 18588 1 136 . 1 1 31 31 VAL CA C 13 61.9 0.15 . 1 . . . . 31 V CA . 18588 1 137 . 1 1 31 31 VAL CB C 13 32.9 0.15 . 1 . . . . 31 V CB . 18588 1 138 . 1 1 31 31 VAL N N 15 134.39 0.15 . 1 . . . . 31 V N . 18588 1 139 . 1 1 32 32 THR H H 1 9.39 0.02 . 1 . . . . 32 T H . 18588 1 140 . 1 1 32 32 THR C C 13 172.9 0.15 . 1 . . . . 32 T C . 18588 1 141 . 1 1 32 32 THR CA C 13 62.1 0.15 . 1 . . . . 32 T CA . 18588 1 142 . 1 1 32 32 THR CB C 13 68.4 0.15 . 1 . . . . 32 T CB . 18588 1 143 . 1 1 32 32 THR N N 15 125.25 0.15 . 1 . . . . 32 T N . 18588 1 144 . 1 1 33 33 LEU H H 1 8.59 0.02 . 1 . . . . 33 L H . 18588 1 145 . 1 1 33 33 LEU C C 13 174.2 0.15 . 1 . . . . 33 L C . 18588 1 146 . 1 1 33 33 LEU CA C 13 52.2 0.15 . 1 . . . . 33 L CA . 18588 1 147 . 1 1 33 33 LEU CB C 13 45.5 0.15 . 1 . . . . 33 L CB . 18588 1 148 . 1 1 33 33 LEU N N 15 126.67 0.15 . 1 . . . . 33 L N . 18588 1 149 . 1 1 34 34 TYR H H 1 8.37 0.02 . 1 . . . . 34 Y H . 18588 1 150 . 1 1 34 34 TYR C C 13 172.2 0.15 . 1 . . . . 34 Y C . 18588 1 151 . 1 1 34 34 TYR CA C 13 54.2 0.15 . 1 . . . . 34 Y CA . 18588 1 152 . 1 1 34 34 TYR CB C 13 42.2 0.15 . 1 . . . . 34 Y CB . 18588 1 153 . 1 1 34 34 TYR N N 15 118.74 0.15 . 1 . . . . 34 Y N . 18588 1 154 . 1 1 35 35 CYS H H 1 7.96 0.02 . 1 . . . . 35 C H . 18588 1 155 . 1 1 35 35 CYS C C 13 173.8 0.15 . 1 . . . . 35 C C . 18588 1 156 . 1 1 35 35 CYS CA C 13 56.7 0.15 . 1 . . . . 35 C CA . 18588 1 157 . 1 1 35 35 CYS CB C 13 30.4 0.15 . 1 . . . . 35 C CB . 18588 1 158 . 1 1 35 35 CYS N N 15 119.41 0.15 . 1 . . . . 35 C N . 18588 1 159 . 1 1 36 36 GLY H H 1 8.79 0.02 . 1 . . . . 36 G H . 18588 1 160 . 1 1 36 36 GLY C C 13 173.2 0.15 . 1 . . . . 36 G C . 18588 1 161 . 1 1 36 36 GLY CA C 13 44.6 0.15 . 1 . . . . 36 G CA . 18588 1 162 . 1 1 36 36 GLY N N 15 117.00 0.15 . 1 . . . . 36 G N . 18588 1 163 . 1 1 37 37 PHE H H 1 9.03 0.02 . 1 . . . . 37 F H . 18588 1 164 . 1 1 37 37 PHE C C 13 174.2 0.15 . 1 . . . . 37 F C . 18588 1 165 . 1 1 37 37 PHE CA C 13 57.3 0.15 . 1 . . . . 37 F CA . 18588 1 166 . 1 1 37 37 PHE CB C 13 41.5 0.15 . 1 . . . . 37 F CB . 18588 1 167 . 1 1 37 37 PHE N N 15 121.11 0.15 . 1 . . . . 37 F N . 18588 1 168 . 1 1 38 38 ASP H H 1 8.60 0.02 . 1 . . . . 38 D H . 18588 1 169 . 1 1 38 38 ASP CA C 13 50.6 0.15 . 1 . . . . 38 D CA . 18588 1 170 . 1 1 38 38 ASP CB C 13 40.7 0.15 . 1 . . . . 38 D CB . 18588 1 171 . 1 1 38 38 ASP N N 15 125.72 0.15 . 1 . . . . 38 D N . 18588 1 172 . 1 1 39 39 PRO C C 13 175.3 0.15 . 1 . . . . 39 P C . 18588 1 173 . 1 1 39 39 PRO CA C 13 62.6 0.15 . 1 . . . . 39 P CA . 18588 1 174 . 1 1 39 39 PRO CB C 13 30.2 0.15 . 1 . . . . 39 P CB . 18588 1 175 . 1 1 40 40 THR H H 1 7.71 0.02 . 1 . . . . 40 T H . 18588 1 176 . 1 1 40 40 THR C C 13 174.4 0.15 . 1 . . . . 40 T C . 18588 1 177 . 1 1 40 40 THR CA C 13 62.6 0.15 . 1 . . . . 40 T CA . 18588 1 178 . 1 1 40 40 THR CB C 13 68.4 0.15 . 1 . . . . 40 T CB . 18588 1 179 . 1 1 40 40 THR N N 15 112.02 0.15 . 1 . . . . 40 T N . 18588 1 180 . 1 1 41 41 ALA H H 1 7.40 0.02 . 1 . . . . 41 A H . 18588 1 181 . 1 1 41 41 ALA C C 13 177.0 0.15 . 1 . . . . 41 A C . 18588 1 182 . 1 1 41 41 ALA CA C 13 51.0 0.15 . 1 . . . . 41 A CA . 18588 1 183 . 1 1 41 41 ALA CB C 13 18.4 0.15 . 1 . . . . 41 A CB . 18588 1 184 . 1 1 41 41 ALA N N 15 125.41 0.15 . 1 . . . . 41 A N . 18588 1 185 . 1 1 42 42 ASP H H 1 8.12 0.02 . 1 . . . . 42 D H . 18588 1 186 . 1 1 42 42 ASP C C 13 175.7 0.15 . 1 . . . . 42 D C . 18588 1 187 . 1 1 42 42 ASP CA C 13 55.2 0.15 . 1 . . . . 42 D CA . 18588 1 188 . 1 1 42 42 ASP CB C 13 40.1 0.15 . 1 . . . . 42 D CB . 18588 1 189 . 1 1 42 42 ASP N N 15 119.84 0.15 . 1 . . . . 42 D N . 18588 1 190 . 1 1 43 43 SER H H 1 7.48 0.02 . 1 . . . . 43 S H . 18588 1 191 . 1 1 43 43 SER C C 13 173.4 0.15 . 1 . . . . 43 S C . 18588 1 192 . 1 1 43 43 SER CA C 13 56.7 0.15 . 1 . . . . 43 S CA . 18588 1 193 . 1 1 43 43 SER CB C 13 64.1 0.15 . 1 . . . . 43 S CB . 18588 1 194 . 1 1 43 43 SER N N 15 112.23 0.15 . 1 . . . . 43 S N . 18588 1 195 . 1 1 44 44 LEU H H 1 8.63 0.02 . 1 . . . . 44 L H . 18588 1 196 . 1 1 44 44 LEU C C 13 177.8 0.15 . 1 . . . . 44 L C . 18588 1 197 . 1 1 44 44 LEU CA C 13 54.5 0.15 . 1 . . . . 44 L CA . 18588 1 198 . 1 1 44 44 LEU CB C 13 41.8 0.15 . 1 . . . . 44 L CB . 18588 1 199 . 1 1 44 44 LEU N N 15 123.61 0.15 . 1 . . . . 44 L N . 18588 1 200 . 1 1 45 45 HIS H H 1 10.85 0.02 . 1 . . . . 45 H H . 18588 1 201 . 1 1 45 45 HIS C C 13 177.0 0.15 . 1 . . . . 45 H C . 18588 1 202 . 1 1 45 45 HIS CA C 13 54.7 0.15 . 1 . . . . 45 H CA . 18588 1 203 . 1 1 45 45 HIS CB C 13 33.5 0.15 . 1 . . . . 45 H CB . 18588 1 204 . 1 1 45 45 HIS N N 15 125.08 0.15 . 1 . . . . 45 H N . 18588 1 205 . 1 1 46 46 ILE H H 1 8.04 0.02 . 1 . . . . 46 I H . 18588 1 206 . 1 1 46 46 ILE C C 13 177.7 0.15 . 1 . . . . 46 I C . 18588 1 207 . 1 1 46 46 ILE CA C 13 64.1 0.15 . 1 . . . . 46 I CA . 18588 1 208 . 1 1 46 46 ILE CB C 13 37.2 0.15 . 1 . . . . 46 I CB . 18588 1 209 . 1 1 46 46 ILE N N 15 114.79 0.15 . 1 . . . . 46 I N . 18588 1 210 . 1 1 47 47 GLY H H 1 10.62 0.02 . 1 . . . . 47 G H . 18588 1 211 . 1 1 47 47 GLY C C 13 175.9 0.15 . 1 . . . . 47 G C . 18588 1 212 . 1 1 47 47 GLY CA C 13 45.9 0.15 . 1 . . . . 47 G CA . 18588 1 213 . 1 1 47 47 GLY N N 15 116.34 0.15 . 1 . . . . 47 G N . 18588 1 214 . 1 1 48 48 HIS H H 1 8.00 0.02 . 1 . . . . 48 H H . 18588 1 215 . 1 1 48 48 HIS C C 13 176.9 0.15 . 1 . . . . 48 H C . 18588 1 216 . 1 1 48 48 HIS CA C 13 58.4 0.15 . 1 . . . . 48 H CA . 18588 1 217 . 1 1 48 48 HIS CB C 13 32.1 0.15 . 1 . . . . 48 H CB . 18588 1 218 . 1 1 48 48 HIS N N 15 119.07 0.15 . 1 . . . . 48 H N . 18588 1 219 . 1 1 49 49 LEU H H 1 7.57 0.02 . 1 . . . . 49 L H . 18588 1 220 . 1 1 49 49 LEU C C 13 177.5 0.15 . 1 . . . . 49 L C . 18588 1 221 . 1 1 49 49 LEU CA C 13 58.0 0.15 . 1 . . . . 49 L CA . 18588 1 222 . 1 1 49 49 LEU CB C 13 42.2 0.15 . 1 . . . . 49 L CB . 18588 1 223 . 1 1 49 49 LEU N N 15 119.50 0.15 . 1 . . . . 49 L N . 18588 1 224 . 1 1 50 50 ALA H H 1 9.51 0.02 . 1 . . . . 50 A H . 18588 1 225 . 1 1 50 50 ALA C C 13 180.7 0.15 . 1 . . . . 50 A C . 18588 1 226 . 1 1 50 50 ALA CA C 13 55.6 0.15 . 1 . . . . 50 A CA . 18588 1 227 . 1 1 50 50 ALA CB C 13 15.9 0.15 . 1 . . . . 50 A CB . 18588 1 228 . 1 1 50 50 ALA N N 15 121.45 0.15 . 1 . . . . 50 A N . 18588 1 229 . 1 1 51 51 THR H H 1 8.10 0.02 . 1 . . . . 51 T H . 18588 1 230 . 1 1 51 51 THR C C 13 176.4 0.15 . 1 . . . . 51 T C . 18588 1 231 . 1 1 51 51 THR CA C 13 66.5 0.15 . 1 . . . . 51 T CA . 18588 1 232 . 1 1 51 51 THR CB C 13 67.4 0.15 . 1 . . . . 51 T CB . 18588 1 233 . 1 1 51 51 THR N N 15 117.65 0.15 . 1 . . . . 51 T N . 18588 1 234 . 1 1 52 52 ILE H H 1 7.95 0.02 . 1 . . . . 52 I H . 18588 1 235 . 1 1 52 52 ILE C C 13 178.3 0.15 . 1 . . . . 52 I C . 18588 1 236 . 1 1 52 52 ILE CA C 13 65.9 0.15 . 1 . . . . 52 I CA . 18588 1 237 . 1 1 52 52 ILE CB C 13 38.0 0.15 . 1 . . . . 52 I CB . 18588 1 238 . 1 1 52 52 ILE N N 15 122.08 0.15 . 1 . . . . 52 I N . 18588 1 239 . 1 1 53 53 LEU H H 1 8.84 0.02 . 1 . . . . 53 L H . 18588 1 240 . 1 1 53 53 LEU C C 13 179.8 0.15 . 1 . . . . 53 L C . 18588 1 241 . 1 1 53 53 LEU CA C 13 57.0 0.15 . 1 . . . . 53 L CA . 18588 1 242 . 1 1 53 53 LEU CB C 13 39.5 0.15 . 1 . . . . 53 L CB . 18588 1 243 . 1 1 53 53 LEU N N 15 116.66 0.15 . 1 . . . . 53 L N . 18588 1 244 . 1 1 54 54 THR H H 1 7.73 0.02 . 1 . . . . 54 T H . 18588 1 245 . 1 1 54 54 THR C C 13 176.8 0.15 . 1 . . . . 54 T C . 18588 1 246 . 1 1 54 54 THR CA C 13 68.9 0.15 . 1 . . . . 54 T CA . 18588 1 247 . 1 1 54 54 THR CB C 13 66.3 0.15 . 1 . . . . 54 T CB . 18588 1 248 . 1 1 54 54 THR N N 15 118.64 0.15 . 1 . . . . 54 T N . 18588 1 249 . 1 1 55 55 MET H H 1 8.02 0.02 . 1 . . . . 55 M H . 18588 1 250 . 1 1 55 55 MET C C 13 177.7 0.15 . 1 . . . . 55 M C . 18588 1 251 . 1 1 55 55 MET CA C 13 60.9 0.15 . 1 . . . . 55 M CA . 18588 1 252 . 1 1 55 55 MET N N 15 121.66 0.15 . 1 . . . . 55 M N . 18588 1 253 . 1 1 56 56 ARG H H 1 7.79 0.02 . 1 . . . . 56 R H . 18588 1 254 . 1 1 56 56 ARG C C 13 177.6 0.15 . 1 . . . . 56 R C . 18588 1 255 . 1 1 56 56 ARG CA C 13 59.0 0.15 . 1 . . . . 56 R CA . 18588 1 256 . 1 1 56 56 ARG CB C 13 28.6 0.15 . 1 . . . . 56 R CB . 18588 1 257 . 1 1 56 56 ARG N N 15 120.88 0.15 . 1 . . . . 56 R N . 18588 1 258 . 1 1 57 57 ARG H H 1 8.46 0.02 . 1 . . . . 57 R H . 18588 1 259 . 1 1 57 57 ARG C C 13 179.9 0.15 . 1 . . . . 57 R C . 18588 1 260 . 1 1 57 57 ARG CA C 13 60.1 0.15 . 1 . . . . 57 R CA . 18588 1 261 . 1 1 57 57 ARG CB C 13 28.4 0.15 . 1 . . . . 57 R CB . 18588 1 262 . 1 1 57 57 ARG N N 15 120.88 0.15 . 1 . . . . 57 R N . 18588 1 263 . 1 1 58 58 PHE H H 1 8.06 0.02 . 1 . . . . 58 F H . 18588 1 264 . 1 1 58 58 PHE C C 13 178.3 0.15 . 1 . . . . 58 F C . 18588 1 265 . 1 1 58 58 PHE CA C 13 62.4 0.15 . 1 . . . . 58 F CA . 18588 1 266 . 1 1 58 58 PHE CB C 13 38.9 0.15 . 1 . . . . 58 F CB . 18588 1 267 . 1 1 58 58 PHE N N 15 116.07 0.15 . 1 . . . . 58 F N . 18588 1 268 . 1 1 59 59 GLN H H 1 8.31 0.02 . 1 . . . . 59 Q H . 18588 1 269 . 1 1 59 59 GLN C C 13 180.3 0.15 . 1 . . . . 59 Q C . 18588 1 270 . 1 1 59 59 GLN CA C 13 58.4 0.15 . 1 . . . . 59 Q CA . 18588 1 271 . 1 1 59 59 GLN CB C 13 27.4 0.15 . 1 . . . . 59 Q CB . 18588 1 272 . 1 1 59 59 GLN N N 15 121.90 0.15 . 1 . . . . 59 Q N . 18588 1 273 . 1 1 60 60 GLN H H 1 8.94 0.02 . 1 . . . . 60 Q H . 18588 1 274 . 1 1 60 60 GLN C C 13 177.1 0.15 . 1 . . . . 60 Q C . 18588 1 275 . 1 1 60 60 GLN CA C 13 58.2 0.15 . 1 . . . . 60 Q CA . 18588 1 276 . 1 1 60 60 GLN CB C 13 27.6 0.15 . 1 . . . . 60 Q CB . 18588 1 277 . 1 1 60 60 GLN N N 15 119.91 0.15 . 1 . . . . 60 Q N . 18588 1 278 . 1 1 61 61 ALA H H 1 7.15 0.02 . 1 . . . . 61 A H . 18588 1 279 . 1 1 61 61 ALA C C 13 176.3 0.15 . 1 . . . . 61 A C . 18588 1 280 . 1 1 61 61 ALA CA C 13 51.5 0.15 . 1 . . . . 61 A CA . 18588 1 281 . 1 1 61 61 ALA CB C 13 19.2 0.15 . 1 . . . . 61 A CB . 18588 1 282 . 1 1 61 61 ALA N N 15 119.60 0.15 . 1 . . . . 61 A N . 18588 1 283 . 1 1 62 62 GLY H H 1 7.71 0.02 . 1 . . . . 62 G H . 18588 1 284 . 1 1 62 62 GLY C C 13 173.5 0.15 . 1 . . . . 62 G C . 18588 1 285 . 1 1 62 62 GLY CA C 13 44.4 0.15 . 1 . . . . 62 G CA . 18588 1 286 . 1 1 62 62 GLY N N 15 105.83 0.15 . 1 . . . . 62 G N . 18588 1 287 . 1 1 63 63 HIS H H 1 7.59 0.02 . 1 . . . . 63 H H . 18588 1 288 . 1 1 63 63 HIS C C 13 174.7 0.15 . 1 . . . . 63 H C . 18588 1 289 . 1 1 63 63 HIS CA C 13 56.0 0.15 . 1 . . . . 63 H CA . 18588 1 290 . 1 1 63 63 HIS CB C 13 30.7 0.15 . 1 . . . . 63 H CB . 18588 1 291 . 1 1 63 63 HIS N N 15 120.56 0.15 . 1 . . . . 63 H N . 18588 1 292 . 1 1 64 64 ARG H H 1 9.20 0.02 . 1 . . . . 64 R H . 18588 1 293 . 1 1 64 64 ARG CA C 13 53.7 0.15 . 1 . . . . 64 R CA . 18588 1 294 . 1 1 64 64 ARG CB C 13 32.1 0.15 . 1 . . . . 64 R CB . 18588 1 295 . 1 1 64 64 ARG N N 15 122.22 0.15 . 1 . . . . 64 R N . 18588 1 296 . 1 1 65 65 PRO C C 13 175.5 0.15 . 1 . . . . 65 P C . 18588 1 297 . 1 1 65 65 PRO CA C 13 61.0 0.15 . 1 . . . . 65 P CA . 18588 1 298 . 1 1 65 65 PRO CB C 13 31.7 0.15 . 1 . . . . 65 P CB . 18588 1 299 . 1 1 66 66 ILE H H 1 9.15 0.02 . 1 . . . . 66 I H . 18588 1 300 . 1 1 66 66 ILE C C 13 175.3 0.15 . 1 . . . . 66 I C . 18588 1 301 . 1 1 66 66 ILE CA C 13 59.4 0.15 . 1 . . . . 66 I CA . 18588 1 302 . 1 1 66 66 ILE CB C 13 38.9 0.15 . 1 . . . . 66 I CB . 18588 1 303 . 1 1 66 66 ILE N N 15 123.44 0.15 . 1 . . . . 66 I N . 18588 1 304 . 1 1 67 67 ALA H H 1 8.65 0.02 . 1 . . . . 67 A H . 18588 1 305 . 1 1 67 67 ALA C C 13 174.5 0.15 . 1 . . . . 67 A C . 18588 1 306 . 1 1 67 67 ALA CA C 13 49.4 0.15 . 1 . . . . 67 A CA . 18588 1 307 . 1 1 67 67 ALA CB C 13 19.2 0.15 . 1 . . . . 67 A CB . 18588 1 308 . 1 1 67 67 ALA N N 15 130.08 0.15 . 1 . . . . 67 A N . 18588 1 309 . 1 1 68 68 LEU H H 1 8.92 0.02 . 1 . . . . 68 L H . 18588 1 310 . 1 1 68 68 LEU C C 13 175.3 0.15 . 1 . . . . 68 L C . 18588 1 311 . 1 1 68 68 LEU CA C 13 52.6 0.15 . 1 . . . . 68 L CA . 18588 1 312 . 1 1 68 68 LEU CB C 13 43.4 0.15 . 1 . . . . 68 L CB . 18588 1 313 . 1 1 68 68 LEU N N 15 126.52 0.15 . 1 . . . . 68 L N . 18588 1 314 . 1 1 69 69 VAL H H 1 9.65 0.02 . 1 . . . . 69 V H . 18588 1 315 . 1 1 69 69 VAL C C 13 177.2 0.15 . 1 . . . . 69 V C . 18588 1 316 . 1 1 69 69 VAL CA C 13 62.0 0.15 . 1 . . . . 69 V CA . 18588 1 317 . 1 1 69 69 VAL CB C 13 31.7 0.15 . 1 . . . . 69 V CB . 18588 1 318 . 1 1 69 69 VAL N N 15 130.10 0.15 . 1 . . . . 69 V N . 18588 1 319 . 1 1 70 70 GLY H H 1 8.63 0.02 . 1 . . . . 70 G H . 18588 1 320 . 1 1 70 70 GLY C C 13 175.9 0.15 . 1 . . . . 70 G C . 18588 1 321 . 1 1 70 70 GLY CA C 13 47.1 0.15 . 1 . . . . 70 G CA . 18588 1 322 . 1 1 70 70 GLY N N 15 118.29 0.15 . 1 . . . . 70 G N . 18588 1 323 . 1 1 71 71 GLY H H 1 8.27 0.02 . 1 . . . . 71 G H . 18588 1 324 . 1 1 71 71 GLY C C 13 175.0 0.15 . 1 . . . . 71 G C . 18588 1 325 . 1 1 71 71 GLY CA C 13 46.9 0.15 . 1 . . . . 71 G CA . 18588 1 326 . 1 1 71 71 GLY N N 15 112.63 0.15 . 1 . . . . 71 G N . 18588 1 327 . 1 1 72 72 ALA H H 1 9.16 0.02 . 1 . . . . 72 A H . 18588 1 328 . 1 1 72 72 ALA C C 13 178.5 0.15 . 1 . . . . 72 A C . 18588 1 329 . 1 1 72 72 ALA CA C 13 55.4 0.15 . 1 . . . . 72 A CA . 18588 1 330 . 1 1 72 72 ALA CB C 13 17.8 0.15 . 1 . . . . 72 A CB . 18588 1 331 . 1 1 72 72 ALA N N 15 120.69 0.15 . 1 . . . . 72 A N . 18588 1 332 . 1 1 73 73 THR H H 1 6.96 0.02 . 1 . . . . 73 T H . 18588 1 333 . 1 1 73 73 THR C C 13 178.1 0.15 . 1 . . . . 73 T C . 18588 1 334 . 1 1 73 73 THR CA C 13 64.7 0.15 . 1 . . . . 73 T CA . 18588 1 335 . 1 1 73 73 THR CB C 13 67.0 0.15 . 1 . . . . 73 T CB . 18588 1 336 . 1 1 73 73 THR N N 15 107.79 0.15 . 1 . . . . 73 T N . 18588 1 337 . 1 1 74 74 GLY H H 1 7.71 0.02 . 1 . . . . 74 G H . 18588 1 338 . 1 1 74 74 GLY C C 13 175.6 0.15 . 1 . . . . 74 G C . 18588 1 339 . 1 1 74 74 GLY CA C 13 46.9 0.15 . 1 . . . . 74 G CA . 18588 1 340 . 1 1 74 74 GLY N N 15 110.33 0.15 . 1 . . . . 74 G N . 18588 1 341 . 1 1 75 75 LEU H H 1 7.70 0.02 . 1 . . . . 75 L H . 18588 1 342 . 1 1 75 75 LEU C C 13 179.5 0.15 . 1 . . . . 75 L C . 18588 1 343 . 1 1 75 75 LEU CA C 13 56.5 0.15 . 1 . . . . 75 L CA . 18588 1 344 . 1 1 75 75 LEU CB C 13 41.3 0.15 . 1 . . . . 75 L CB . 18588 1 345 . 1 1 75 75 LEU N N 15 120.56 0.15 . 1 . . . . 75 L N . 18588 1 346 . 1 1 76 76 ILE H H 1 7.69 0.02 . 1 . . . . 76 I H . 18588 1 347 . 1 1 76 76 ILE C C 13 176.6 0.15 . 1 . . . . 76 I C . 18588 1 348 . 1 1 76 76 ILE CA C 13 64.5 0.15 . 1 . . . . 76 I CA . 18588 1 349 . 1 1 76 76 ILE CB C 13 37.6 0.15 . 1 . . . . 76 I CB . 18588 1 350 . 1 1 76 76 ILE N N 15 120.57 0.15 . 1 . . . . 76 I N . 18588 1 351 . 1 1 77 77 GLY H H 1 7.57 0.02 . 1 . . . . 77 G H . 18588 1 352 . 1 1 77 77 GLY C C 13 173.5 0.15 . 1 . . . . 77 G C . 18588 1 353 . 1 1 77 77 GLY CA C 13 44.6 0.15 . 1 . . . . 77 G CA . 18588 1 354 . 1 1 77 77 GLY N N 15 105.42 0.15 . 1 . . . . 77 G N . 18588 1 355 . 1 1 78 78 ASP H H 1 7.70 0.02 . 1 . . . . 78 D H . 18588 1 356 . 1 1 78 78 ASP CA C 13 52.3 0.15 . 1 . . . . 78 D CA . 18588 1 357 . 1 1 78 78 ASP CB C 13 41.1 0.15 . 1 . . . . 78 D CB . 18588 1 358 . 1 1 78 78 ASP N N 15 121.85 0.15 . 1 . . . . 78 D N . 18588 1 359 . 1 1 79 79 PRO C C 13 177.3 0.15 . 1 . . . . 79 P C . 18588 1 360 . 1 1 79 79 PRO CA C 13 63.7 0.15 . 1 . . . . 79 P CA . 18588 1 361 . 1 1 79 79 PRO CB C 13 31.1 0.15 . 1 . . . . 79 P CB . 18588 1 362 . 1 1 80 80 SER H H 1 8.32 0.02 . 1 . . . . 80 S H . 18588 1 363 . 1 1 80 80 SER C C 13 175.4 0.15 . 1 . . . . 80 S C . 18588 1 364 . 1 1 80 80 SER CA C 13 58.8 0.15 . 1 . . . . 80 S CA . 18588 1 365 . 1 1 80 80 SER CB C 13 63.3 0.15 . 1 . . . . 80 S CB . 18588 1 366 . 1 1 80 80 SER N N 15 115.86 0.15 . 1 . . . . 80 S N . 18588 1 367 . 1 1 81 81 GLY H H 1 8.01 0.02 . 1 . . . . 81 G H . 18588 1 368 . 1 1 81 81 GLY C C 13 173.4 0.15 . 1 . . . . 81 G C . 18588 1 369 . 1 1 81 81 GLY CA C 13 45.2 0.15 . 1 . . . . 81 G CA . 18588 1 370 . 1 1 81 81 GLY N N 15 110.57 0.15 . 1 . . . . 81 G N . 18588 1 371 . 1 1 82 82 LYS H H 1 7.37 0.02 . 1 . . . . 82 K H . 18588 1 372 . 1 1 82 82 LYS C C 13 174.0 0.15 . 1 . . . . 82 K C . 18588 1 373 . 1 1 82 82 LYS CA C 13 55.3 0.15 . 1 . . . . 82 K CA . 18588 1 374 . 1 1 82 82 LYS CB C 13 29.8 0.15 . 1 . . . . 82 K CB . 18588 1 375 . 1 1 82 82 LYS N N 15 118.46 0.15 . 1 . . . . 82 K N . 18588 1 376 . 1 1 85 85 GLU H H 1 7.87 0.02 . 1 . . . . 85 E H . 18588 1 377 . 1 1 85 85 GLU C C 13 176.5 0.15 . 1 . . . . 85 E C . 18588 1 378 . 1 1 85 85 GLU CA C 13 56.3 0.15 . 1 . . . . 85 E CA . 18588 1 379 . 1 1 85 85 GLU CB C 13 29.6 0.15 . 1 . . . . 85 E CB . 18588 1 380 . 1 1 85 85 GLU N N 15 125.59 0.15 . 1 . . . . 85 E N . 18588 1 381 . 1 1 86 86 ARG H H 1 8.08 0.02 . 1 . . . . 86 R H . 18588 1 382 . 1 1 86 86 ARG CA C 13 55.8 0.15 . 1 . . . . 86 R CA . 18588 1 383 . 1 1 86 86 ARG CB C 13 30.1 0.15 . 1 . . . . 86 R CB . 18588 1 384 . 1 1 86 86 ARG N N 15 121.07 0.15 . 1 . . . . 86 R N . 18588 1 385 . 1 1 87 87 THR C C 13 174.6 0.15 . 1 . . . . 87 T C . 18588 1 386 . 1 1 87 87 THR CA C 13 61.9 0.15 . 1 . . . . 87 T CA . 18588 1 387 . 1 1 87 87 THR CB C 13 68.8 0.15 . 1 . . . . 87 T CB . 18588 1 388 . 1 1 88 88 LEU H H 1 7.96 0.02 . 1 . . . . 88 L H . 18588 1 389 . 1 1 88 88 LEU C C 13 177.0 0.15 . 1 . . . . 88 L C . 18588 1 390 . 1 1 88 88 LEU CA C 13 54.9 0.15 . 1 . . . . 88 L CA . 18588 1 391 . 1 1 88 88 LEU CB C 13 41.8 0.15 . 1 . . . . 88 L CB . 18588 1 392 . 1 1 88 88 LEU N N 15 125.22 0.15 . 1 . . . . 88 L N . 18588 1 393 . 1 1 89 89 ASN H H 1 8.28 0.02 . 1 . . . . 89 N H . 18588 1 394 . 1 1 89 89 ASN CA C 13 52.1 0.15 . 1 . . . . 89 N CA . 18588 1 395 . 1 1 89 89 ASN CB C 13 37.9 0.15 . 1 . . . . 89 N CB . 18588 1 396 . 1 1 89 89 ASN N N 15 120.22 0.15 . 1 . . . . 89 N N . 18588 1 397 . 1 1 90 90 ALA C C 13 178.6 0.15 . 1 . . . . 90 A C . 18588 1 398 . 1 1 90 90 ALA CA C 13 55.4 0.15 . 1 . . . . 90 A CA . 18588 1 399 . 1 1 90 90 ALA CB C 13 17.7 0.15 . 1 . . . . 90 A CB . 18588 1 400 . 1 1 91 91 LYS H H 1 7.85 0.02 . 1 . . . . 91 K H . 18588 1 401 . 1 1 91 91 LYS C C 13 178.1 0.15 . 1 . . . . 91 K C . 18588 1 402 . 1 1 91 91 LYS CA C 13 59.0 0.15 . 1 . . . . 91 K CA . 18588 1 403 . 1 1 91 91 LYS CB C 13 31.3 0.15 . 1 . . . . 91 K CB . 18588 1 404 . 1 1 91 91 LYS N N 15 117.40 0.15 . 1 . . . . 91 K N . 18588 1 405 . 1 1 92 92 GLU H H 1 7.81 0.02 . 1 . . . . 92 E H . 18588 1 406 . 1 1 92 92 GLU C C 13 179.6 0.15 . 1 . . . . 92 E C . 18588 1 407 . 1 1 92 92 GLU CA C 13 58.6 0.15 . 1 . . . . 92 E CA . 18588 1 408 . 1 1 92 92 GLU CB C 13 28.8 0.15 . 1 . . . . 92 E CB . 18588 1 409 . 1 1 92 92 GLU N N 15 117.53 0.15 . 1 . . . . 92 E N . 18588 1 410 . 1 1 93 93 THR H H 1 7.57 0.02 . 1 . . . . 93 T H . 18588 1 411 . 1 1 93 93 THR C C 13 175.4 0.15 . 1 . . . . 93 T C . 18588 1 412 . 1 1 93 93 THR CA C 13 66.0 0.15 . 1 . . . . 93 T CA . 18588 1 413 . 1 1 93 93 THR CB C 13 67.8 0.15 . 1 . . . . 93 T CB . 18588 1 414 . 1 1 93 93 THR N N 15 117.85 0.15 . 1 . . . . 93 T N . 18588 1 415 . 1 1 94 94 VAL H H 1 7.69 0.02 . 1 . . . . 94 V H . 18588 1 416 . 1 1 94 94 VAL C C 13 178.5 0.15 . 1 . . . . 94 V C . 18588 1 417 . 1 1 94 94 VAL CA C 13 65.4 0.15 . 1 . . . . 94 V CA . 18588 1 418 . 1 1 94 94 VAL CB C 13 30.2 0.15 . 1 . . . . 94 V CB . 18588 1 419 . 1 1 94 94 VAL N N 15 116.79 0.15 . 1 . . . . 94 V N . 18588 1 420 . 1 1 95 95 GLU H H 1 7.75 0.02 . 1 . . . . 95 E H . 18588 1 421 . 1 1 95 95 GLU C C 13 179.6 0.15 . 1 . . . . 95 E C . 18588 1 422 . 1 1 95 95 GLU CA C 13 58.6 0.15 . 1 . . . . 95 E CA . 18588 1 423 . 1 1 95 95 GLU CB C 13 28.4 0.15 . 1 . . . . 95 E CB . 18588 1 424 . 1 1 95 95 GLU N N 15 120.96 0.15 . 1 . . . . 95 E N . 18588 1 425 . 1 1 96 96 ALA H H 1 7.49 0.02 . 1 . . . . 96 A H . 18588 1 426 . 1 1 96 96 ALA C C 13 181.5 0.15 . 1 . . . . 96 A C . 18588 1 427 . 1 1 96 96 ALA CA C 13 54.5 0.15 . 1 . . . . 96 A CA . 18588 1 428 . 1 1 96 96 ALA CB C 13 16.5 0.15 . 1 . . . . 96 A CB . 18588 1 429 . 1 1 96 96 ALA N N 15 124.42 0.15 . 1 . . . . 96 A N . 18588 1 430 . 1 1 97 97 TRP H H 1 7.79 0.02 . 1 . . . . 97 W H . 18588 1 431 . 1 1 97 97 TRP C C 13 179.2 0.15 . 1 . . . . 97 W C . 18588 1 432 . 1 1 97 97 TRP CA C 13 58.0 0.15 . 1 . . . . 97 W CA . 18588 1 433 . 1 1 97 97 TRP CB C 13 28.0 0.15 . 1 . . . . 97 W CB . 18588 1 434 . 1 1 97 97 TRP N N 15 120.69 0.15 . 1 . . . . 97 W N . 18588 1 435 . 1 1 98 98 SER H H 1 8.32 0.02 . 1 . . . . 98 S H . 18588 1 436 . 1 1 98 98 SER C C 13 175.3 0.15 . 1 . . . . 98 S C . 18588 1 437 . 1 1 98 98 SER CA C 13 62.4 0.15 . 1 . . . . 98 S CA . 18588 1 438 . 1 1 98 98 SER CB C 13 63.3 0.15 . 1 . . . . 98 S CB . 18588 1 439 . 1 1 98 98 SER N N 15 116.29 0.15 . 1 . . . . 98 S N . 18588 1 440 . 1 1 99 99 ALA H H 1 7.91 0.02 . 1 . . . . 99 A H . 18588 1 441 . 1 1 99 99 ALA C C 13 180.2 0.15 . 1 . . . . 99 A C . 18588 1 442 . 1 1 99 99 ALA CA C 13 54.7 0.15 . 1 . . . . 99 A CA . 18588 1 443 . 1 1 99 99 ALA CB C 13 17.1 0.15 . 1 . . . . 99 A CB . 18588 1 444 . 1 1 99 99 ALA N N 15 123.44 0.15 . 1 . . . . 99 A N . 18588 1 445 . 1 1 100 100 ARG H H 1 8.04 0.02 . 1 . . . . 100 R H . 18588 1 446 . 1 1 100 100 ARG C C 13 179.2 0.15 . 1 . . . . 100 R C . 18588 1 447 . 1 1 100 100 ARG CA C 13 58.0 0.15 . 1 . . . . 100 R CA . 18588 1 448 . 1 1 100 100 ARG CB C 13 29.2 0.15 . 1 . . . . 100 R CB . 18588 1 449 . 1 1 100 100 ARG N N 15 120.04 0.15 . 1 . . . . 100 R N . 18588 1 450 . 1 1 101 101 ILE H H 1 7.82 0.02 . 1 . . . . 101 I H . 18588 1 451 . 1 1 101 101 ILE C C 13 177.6 0.15 . 1 . . . . 101 I C . 18588 1 452 . 1 1 101 101 ILE CA C 13 62.7 0.15 . 1 . . . . 101 I CA . 18588 1 453 . 1 1 101 101 ILE CB C 13 34.8 0.15 . 1 . . . . 101 I CB . 18588 1 454 . 1 1 101 101 ILE N N 15 120.26 0.15 . 1 . . . . 101 I N . 18588 1 455 . 1 1 102 102 LYS H H 1 8.08 0.02 . 1 . . . . 102 K H . 18588 1 456 . 1 1 102 102 LYS C C 13 178.7 0.15 . 1 . . . . 102 K C . 18588 1 457 . 1 1 102 102 LYS CA C 13 60.4 0.15 . 1 . . . . 102 K CA . 18588 1 458 . 1 1 102 102 LYS CB C 13 31.3 0.15 . 1 . . . . 102 K CB . 18588 1 459 . 1 1 102 102 LYS N N 15 122.13 0.15 . 1 . . . . 102 K N . 18588 1 460 . 1 1 103 103 GLU H H 1 7.77 0.02 . 1 . . . . 103 E H . 18588 1 461 . 1 1 103 103 GLU C C 13 179.6 0.15 . 1 . . . . 103 E C . 18588 1 462 . 1 1 103 103 GLU CA C 13 58.7 0.15 . 1 . . . . 103 E CA . 18588 1 463 . 1 1 103 103 GLU CB C 13 28.4 0.15 . 1 . . . . 103 E CB . 18588 1 464 . 1 1 103 103 GLU N N 15 118.06 0.15 . 1 . . . . 103 E N . 18588 1 465 . 1 1 104 104 GLN H H 1 7.63 0.02 . 1 . . . . 104 Q H . 18588 1 466 . 1 1 104 104 GLN C C 13 178.7 0.15 . 1 . . . . 104 Q C . 18588 1 467 . 1 1 104 104 GLN CA C 13 58.5 0.15 . 1 . . . . 104 Q CA . 18588 1 468 . 1 1 104 104 GLN CB C 13 29.6 0.15 . 1 . . . . 104 Q CB . 18588 1 469 . 1 1 104 104 GLN N N 15 117.30 0.15 . 1 . . . . 104 Q N . 18588 1 470 . 1 1 105 105 LEU H H 1 8.41 0.02 . 1 . . . . 105 L H . 18588 1 471 . 1 1 105 105 LEU C C 13 179.9 0.15 . 1 . . . . 105 L C . 18588 1 472 . 1 1 105 105 LEU CA C 13 56.0 0.15 . 1 . . . . 105 L CA . 18588 1 473 . 1 1 105 105 LEU CB C 13 41.8 0.15 . 1 . . . . 105 L CB . 18588 1 474 . 1 1 105 105 LEU N N 15 116.20 0.15 . 1 . . . . 105 L N . 18588 1 475 . 1 1 106 106 GLY H H 1 8.22 0.02 . 1 . . . . 106 G H . 18588 1 476 . 1 1 106 106 GLY C C 13 174.0 0.15 . 1 . . . . 106 G C . 18588 1 477 . 1 1 106 106 GLY CA C 13 46.7 0.15 . 1 . . . . 106 G CA . 18588 1 478 . 1 1 106 106 GLY N N 15 110.15 0.15 . 1 . . . . 106 G N . 18588 1 479 . 1 1 107 107 ARG H H 1 7.20 0.02 . 1 . . . . 107 R H . 18588 1 480 . 1 1 107 107 ARG C C 13 176.1 0.15 . 1 . . . . 107 R C . 18588 1 481 . 1 1 107 107 ARG CA C 13 56.3 0.15 . 1 . . . . 107 R CA . 18588 1 482 . 1 1 107 107 ARG CB C 13 28.6 0.15 . 1 . . . . 107 R CB . 18588 1 483 . 1 1 107 107 ARG N N 15 116.38 0.15 . 1 . . . . 107 R N . 18588 1 484 . 1 1 108 108 PHE H H 1 7.72 0.02 . 1 . . . . 108 F H . 18588 1 485 . 1 1 108 108 PHE C C 13 174.9 0.15 . 1 . . . . 108 F C . 18588 1 486 . 1 1 108 108 PHE CA C 13 57.8 0.15 . 1 . . . . 108 F CA . 18588 1 487 . 1 1 108 108 PHE CB C 13 42.0 0.15 . 1 . . . . 108 F CB . 18588 1 488 . 1 1 108 108 PHE N N 15 115.18 0.15 . 1 . . . . 108 F N . 18588 1 489 . 1 1 109 109 LEU H H 1 7.98 0.02 . 1 . . . . 109 L H . 18588 1 490 . 1 1 109 109 LEU C C 13 173.7 0.15 . 1 . . . . 109 L C . 18588 1 491 . 1 1 109 109 LEU CA C 13 51.8 0.15 . 1 . . . . 109 L CA . 18588 1 492 . 1 1 109 109 LEU CB C 13 43.8 0.15 . 1 . . . . 109 L CB . 18588 1 493 . 1 1 109 109 LEU N N 15 117.85 0.15 . 1 . . . . 109 L N . 18588 1 494 . 1 1 110 110 ASP H H 1 8.54 0.02 . 1 . . . . 110 D H . 18588 1 495 . 1 1 110 110 ASP C C 13 179.0 0.15 . 1 . . . . 110 D C . 18588 1 496 . 1 1 110 110 ASP CA C 13 52.4 0.15 . 1 . . . . 110 D CA . 18588 1 497 . 1 1 110 110 ASP CB C 13 40.5 0.15 . 1 . . . . 110 D CB . 18588 1 498 . 1 1 110 110 ASP N N 15 118.79 0.15 . 1 . . . . 110 D N . 18588 1 499 . 1 1 111 111 PHE H H 1 9.39 0.02 . 1 . . . . 111 F H . 18588 1 500 . 1 1 111 111 PHE C C 13 174.8 0.15 . 1 . . . . 111 F C . 18588 1 501 . 1 1 111 111 PHE CA C 13 59.6 0.15 . 1 . . . . 111 F CA . 18588 1 502 . 1 1 111 111 PHE CB C 13 38.3 0.15 . 1 . . . . 111 F CB . 18588 1 503 . 1 1 111 111 PHE N N 15 128.02 0.15 . 1 . . . . 111 F N . 18588 1 504 . 1 1 112 112 GLU H H 1 8.61 0.02 . 1 . . . . 112 E H . 18588 1 505 . 1 1 112 112 GLU C C 13 175.7 0.15 . 1 . . . . 112 E C . 18588 1 506 . 1 1 112 112 GLU CA C 13 55.2 0.15 . 1 . . . . 112 E CA . 18588 1 507 . 1 1 112 112 GLU CB C 13 29.8 0.15 . 1 . . . . 112 E CB . 18588 1 508 . 1 1 112 112 GLU N N 15 118.51 0.15 . 1 . . . . 112 E N . 18588 1 509 . 1 1 113 113 ALA H H 1 6.35 0.02 . 1 . . . . 113 A H . 18588 1 510 . 1 1 113 113 ALA C C 13 176.9 0.15 . 1 . . . . 113 A C . 18588 1 511 . 1 1 113 113 ALA CA C 13 52.0 0.15 . 1 . . . . 113 A CA . 18588 1 512 . 1 1 113 113 ALA CB C 13 18.4 0.15 . 1 . . . . 113 A CB . 18588 1 513 . 1 1 113 113 ALA N N 15 123.78 0.15 . 1 . . . . 113 A N . 18588 1 514 . 1 1 114 114 ASP H H 1 8.24 0.02 . 1 . . . . 114 D H . 18588 1 515 . 1 1 114 114 ASP C C 13 177.8 0.15 . 1 . . . . 114 D C . 18588 1 516 . 1 1 114 114 ASP CA C 13 54.7 0.15 . 1 . . . . 114 D CA . 18588 1 517 . 1 1 114 114 ASP CB C 13 40.9 0.15 . 1 . . . . 114 D CB . 18588 1 518 . 1 1 114 114 ASP N N 15 120.57 0.15 . 1 . . . . 114 D N . 18588 1 519 . 1 1 115 115 GLY H H 1 8.45 0.02 . 1 . . . . 115 G H . 18588 1 520 . 1 1 115 115 GLY C C 13 174.2 0.15 . 1 . . . . 115 G C . 18588 1 521 . 1 1 115 115 GLY CA C 13 46.3 0.15 . 1 . . . . 115 G CA . 18588 1 522 . 1 1 115 115 GLY N N 15 112.97 0.15 . 1 . . . . 115 G N . 18588 1 523 . 1 1 116 116 ASN H H 1 8.08 0.02 . 1 . . . . 116 N H . 18588 1 524 . 1 1 116 116 ASN CA C 13 51.3 0.15 . 1 . . . . 116 N CA . 18588 1 525 . 1 1 116 116 ASN CB C 13 36.8 0.15 . 1 . . . . 116 N CB . 18588 1 526 . 1 1 116 116 ASN N N 15 119.50 0.15 . 1 . . . . 116 N N . 18588 1 527 . 1 1 117 117 PRO C C 13 176.2 0.15 . 1 . . . . 117 P C . 18588 1 528 . 1 1 117 117 PRO CA C 13 63.4 0.15 . 1 . . . . 117 P CA . 18588 1 529 . 1 1 117 117 PRO CB C 13 29.6 0.15 . 1 . . . . 117 P CB . 18588 1 530 . 1 1 118 118 ALA H H 1 7.62 0.02 . 1 . . . . 118 A H . 18588 1 531 . 1 1 118 118 ALA C C 13 175.2 0.15 . 1 . . . . 118 A C . 18588 1 532 . 1 1 118 118 ALA CA C 13 50.0 0.15 . 1 . . . . 118 A CA . 18588 1 533 . 1 1 118 118 ALA CB C 13 18.4 0.15 . 1 . . . . 118 A CB . 18588 1 534 . 1 1 118 118 ALA N N 15 121.98 0.15 . 1 . . . . 118 A N . 18588 1 535 . 1 1 119 119 LYS H H 1 7.61 0.02 . 1 . . . . 119 K H . 18588 1 536 . 1 1 119 119 LYS C C 13 174.8 0.15 . 1 . . . . 119 K C . 18588 1 537 . 1 1 119 119 LYS CA C 13 54.7 0.15 . 1 . . . . 119 K CA . 18588 1 538 . 1 1 119 119 LYS CB C 13 36.6 0.15 . 1 . . . . 119 K CB . 18588 1 539 . 1 1 119 119 LYS N N 15 116.41 0.15 . 1 . . . . 119 K N . 18588 1 540 . 1 1 120 120 ILE H H 1 8.67 0.02 . 1 . . . . 120 I H . 18588 1 541 . 1 1 120 120 ILE C C 13 176.1 0.15 . 1 . . . . 120 I C . 18588 1 542 . 1 1 120 120 ILE CA C 13 57.7 0.15 . 1 . . . . 120 I CA . 18588 1 543 . 1 1 120 120 ILE CB C 13 37.9 0.15 . 1 . . . . 120 I CB . 18588 1 544 . 1 1 120 120 ILE N N 15 123.40 0.15 . 1 . . . . 120 I N . 18588 1 545 . 1 1 121 121 LYS H H 1 8.45 0.02 . 1 . . . . 121 K H . 18588 1 546 . 1 1 121 121 LYS C C 13 173.7 0.15 . 1 . . . . 121 K C . 18588 1 547 . 1 1 121 121 LYS CA C 13 52.5 0.15 . 1 . . . . 121 K CA . 18588 1 548 . 1 1 121 121 LYS CB C 13 34.8 0.15 . 1 . . . . 121 K CB . 18588 1 549 . 1 1 121 121 LYS N N 15 124.85 0.15 . 1 . . . . 121 K N . 18588 1 550 . 1 1 122 122 ASN H H 1 9.16 0.02 . 1 . . . . 122 N H . 18588 1 551 . 1 1 122 122 ASN C C 13 175.3 0.15 . 1 . . . . 122 N C . 18588 1 552 . 1 1 122 122 ASN CA C 13 51.3 0.15 . 1 . . . . 122 N CA . 18588 1 553 . 1 1 122 122 ASN CB C 13 40.7 0.15 . 1 . . . . 122 N CB . 18588 1 554 . 1 1 122 122 ASN N N 15 123.45 0.15 . 1 . . . . 122 N N . 18588 1 555 . 1 1 123 123 ASN H H 1 7.77 0.02 . 1 . . . . 123 N H . 18588 1 556 . 1 1 123 123 ASN C C 13 176.5 0.15 . 1 . . . . 123 N C . 18588 1 557 . 1 1 123 123 ASN CA C 13 52.9 0.15 . 1 . . . . 123 N CA . 18588 1 558 . 1 1 123 123 ASN CB C 13 36.6 0.15 . 1 . . . . 123 N CB . 18588 1 559 . 1 1 123 123 ASN N N 15 123.21 0.15 . 1 . . . . 123 N N . 18588 1 560 . 1 1 124 124 TYR H H 1 8.76 0.02 . 1 . . . . 124 Y H . 18588 1 561 . 1 1 124 124 TYR C C 13 176.8 0.15 . 1 . . . . 124 Y C . 18588 1 562 . 1 1 124 124 TYR CA C 13 61.7 0.15 . 1 . . . . 124 Y CA . 18588 1 563 . 1 1 124 124 TYR CB C 13 38.5 0.15 . 1 . . . . 124 Y CB . 18588 1 564 . 1 1 124 124 TYR N N 15 123.85 0.15 . 1 . . . . 124 Y N . 18588 1 565 . 1 1 125 125 ASP H H 1 7.60 0.02 . 1 . . . . 125 D H . 18588 1 566 . 1 1 125 125 ASP C C 13 176.4 0.15 . 1 . . . . 125 D C . 18588 1 567 . 1 1 125 125 ASP CA C 13 57.0 0.15 . 1 . . . . 125 D CA . 18588 1 568 . 1 1 125 125 ASP CB C 13 39.1 0.15 . 1 . . . . 125 D CB . 18588 1 569 . 1 1 125 125 ASP N N 15 117.07 0.15 . 1 . . . . 125 D N . 18588 1 570 . 1 1 126 126 TRP H H 1 6.22 0.02 . 1 . . . . 126 W H . 18588 1 571 . 1 1 126 126 TRP C C 13 176.9 0.15 . 1 . . . . 126 W C . 18588 1 572 . 1 1 126 126 TRP CA C 13 56.8 0.15 . 1 . . . . 126 W CA . 18588 1 573 . 1 1 126 126 TRP CB C 13 28.2 0.15 . 1 . . . . 126 W CB . 18588 1 574 . 1 1 126 126 TRP N N 15 110.25 0.15 . 1 . . . . 126 W N . 18588 1 575 . 1 1 127 127 ILE H H 1 8.06 0.02 . 1 . . . . 127 I H . 18588 1 576 . 1 1 127 127 ILE C C 13 177.3 0.15 . 1 . . . . 127 I C . 18588 1 577 . 1 1 127 127 ILE CA C 13 61.9 0.15 . 1 . . . . 127 I CA . 18588 1 578 . 1 1 127 127 ILE CB C 13 36.4 0.15 . 1 . . . . 127 I CB . 18588 1 579 . 1 1 127 127 ILE N N 15 123.19 0.15 . 1 . . . . 127 I N . 18588 1 580 . 1 1 128 128 GLY H H 1 8.16 0.02 . 1 . . . . 128 G H . 18588 1 581 . 1 1 128 128 GLY CA C 13 47.9 0.15 . 1 . . . . 128 G CA . 18588 1 582 . 1 1 128 128 GLY N N 15 111.07 0.15 . 1 . . . . 128 G N . 18588 1 583 . 1 1 129 129 PRO C C 13 176.3 0.15 . 1 . . . . 129 P C . 18588 1 584 . 1 1 129 129 PRO CA C 13 62.3 0.15 . 1 . . . . 129 P CA . 18588 1 585 . 1 1 129 129 PRO CB C 13 30.7 0.15 . 1 . . . . 129 P CB . 18588 1 586 . 1 1 130 130 LEU H H 1 7.18 0.02 . 1 . . . . 130 L H . 18588 1 587 . 1 1 130 130 LEU C C 13 174.2 0.15 . 1 . . . . 130 L C . 18588 1 588 . 1 1 130 130 LEU CA C 13 55.3 0.15 . 1 . . . . 130 L CA . 18588 1 589 . 1 1 130 130 LEU CB C 13 41.8 0.15 . 1 . . . . 130 L CB . 18588 1 590 . 1 1 130 130 LEU N N 15 123.73 0.15 . 1 . . . . 130 L N . 18588 1 591 . 1 1 131 131 ASP H H 1 8.21 0.02 . 1 . . . . 131 D H . 18588 1 592 . 1 1 131 131 ASP C C 13 175.7 0.15 . 1 . . . . 131 D C . 18588 1 593 . 1 1 131 131 ASP CA C 13 51.9 0.15 . 1 . . . . 131 D CA . 18588 1 594 . 1 1 131 131 ASP CB C 13 40.7 0.15 . 1 . . . . 131 D CB . 18588 1 595 . 1 1 131 131 ASP N N 15 125.52 0.15 . 1 . . . . 131 D N . 18588 1 596 . 1 1 132 132 VAL H H 1 8.24 0.02 . 1 . . . . 132 V H . 18588 1 597 . 1 1 132 132 VAL C C 13 177.0 0.15 . 1 . . . . 132 V C . 18588 1 598 . 1 1 132 132 VAL CA C 13 67.0 0.15 . 1 . . . . 132 V CA . 18588 1 599 . 1 1 132 132 VAL CB C 13 31.3 0.15 . 1 . . . . 132 V CB . 18588 1 600 . 1 1 132 132 VAL N N 15 121.03 0.15 . 1 . . . . 132 V N . 18588 1 601 . 1 1 133 133 ILE H H 1 9.02 0.02 . 1 . . . . 133 I H . 18588 1 602 . 1 1 133 133 ILE C C 13 177.3 0.15 . 1 . . . . 133 I C . 18588 1 603 . 1 1 133 133 ILE CA C 13 66.1 0.15 . 1 . . . . 133 I CA . 18588 1 604 . 1 1 133 133 ILE CB C 13 36.0 0.15 . 1 . . . . 133 I CB . 18588 1 605 . 1 1 133 133 ILE N N 15 121.88 0.15 . 1 . . . . 133 I N . 18588 1 606 . 1 1 135 135 PHE H H 1 8.09 0.02 . 1 . . . . 135 F H . 18588 1 607 . 1 1 135 135 PHE C C 13 177.4 0.15 . 1 . . . . 135 F C . 18588 1 608 . 1 1 135 135 PHE CA C 13 60.0 0.15 . 1 . . . . 135 F CA . 18588 1 609 . 1 1 135 135 PHE CB C 13 39.3 0.15 . 1 . . . . 135 F CB . 18588 1 610 . 1 1 135 135 PHE N N 15 120.39 0.15 . 1 . . . . 135 F N . 18588 1 611 . 1 1 136 136 LEU H H 1 8.79 0.02 . 1 . . . . 136 L H . 18588 1 612 . 1 1 136 136 LEU C C 13 178.6 0.15 . 1 . . . . 136 L C . 18588 1 613 . 1 1 136 136 LEU CA C 13 56.7 0.15 . 1 . . . . 136 L CA . 18588 1 614 . 1 1 136 136 LEU CB C 13 39.7 0.15 . 1 . . . . 136 L CB . 18588 1 615 . 1 1 136 136 LEU N N 15 118.97 0.15 . 1 . . . . 136 L N . 18588 1 616 . 1 1 137 137 ARG H H 1 8.81 0.02 . 1 . . . . 137 R H . 18588 1 617 . 1 1 137 137 ARG C C 13 177.1 0.15 . 1 . . . . 137 R C . 18588 1 618 . 1 1 137 137 ARG CA C 13 59.2 0.15 . 1 . . . . 137 R CA . 18588 1 619 . 1 1 137 137 ARG CB C 13 31.1 0.15 . 1 . . . . 137 R CB . 18588 1 620 . 1 1 137 137 ARG N N 15 121.30 0.15 . 1 . . . . 137 R N . 18588 1 621 . 1 1 138 138 ASP H H 1 8.57 0.02 . 1 . . . . 138 D H . 18588 1 622 . 1 1 138 138 ASP C C 13 176.7 0.15 . 1 . . . . 138 D C . 18588 1 623 . 1 1 138 138 ASP CA C 13 55.5 0.15 . 1 . . . . 138 D CA . 18588 1 624 . 1 1 138 138 ASP CB C 13 40.1 0.15 . 1 . . . . 138 D CB . 18588 1 625 . 1 1 138 138 ASP N N 15 115.00 0.15 . 1 . . . . 138 D N . 18588 1 626 . 1 1 139 139 VAL H H 1 7.38 0.02 . 1 . . . . 139 V H . 18588 1 627 . 1 1 139 139 VAL C C 13 177.6 0.15 . 1 . . . . 139 V C . 18588 1 628 . 1 1 139 139 VAL CA C 13 64.1 0.15 . 1 . . . . 139 V CA . 18588 1 629 . 1 1 139 139 VAL CB C 13 31.9 0.15 . 1 . . . . 139 V CB . 18588 1 630 . 1 1 139 139 VAL N N 15 117.97 0.15 . 1 . . . . 139 V N . 18588 1 631 . 1 1 140 140 GLY H H 1 7.61 0.02 . 1 . . . . 140 G H . 18588 1 632 . 1 1 140 140 GLY C C 13 175.4 0.15 . 1 . . . . 140 G C . 18588 1 633 . 1 1 140 140 GLY CA C 13 48.1 0.15 . 1 . . . . 140 G CA . 18588 1 634 . 1 1 140 140 GLY N N 15 101.65 0.15 . 1 . . . . 140 G N . 18588 1 635 . 1 1 141 141 LYS H H 1 6.38 0.02 . 1 . . . . 141 K H . 18588 1 636 . 1 1 141 141 LYS C C 13 177.5 0.15 . 1 . . . . 141 K C . 18588 1 637 . 1 1 141 141 LYS CA C 13 57.8 0.15 . 1 . . . . 141 K CA . 18588 1 638 . 1 1 141 141 LYS CB C 13 31.5 0.15 . 1 . . . . 141 K CB . 18588 1 639 . 1 1 141 141 LYS N N 15 114.69 0.15 . 1 . . . . 141 K N . 18588 1 640 . 1 1 142 142 HIS H H 1 7.13 0.02 . 1 . . . . 142 H H . 18588 1 641 . 1 1 142 142 HIS C C 13 173.7 0.15 . 1 . . . . 142 H C . 18588 1 642 . 1 1 142 142 HIS CA C 13 56.5 0.15 . 1 . . . . 142 H CA . 18588 1 643 . 1 1 142 142 HIS CB C 13 31.1 0.15 . 1 . . . . 142 H CB . 18588 1 644 . 1 1 142 142 HIS N N 15 114.60 0.15 . 1 . . . . 142 H N . 18588 1 645 . 1 1 143 143 PHE H H 1 7.00 0.02 . 1 . . . . 143 F H . 18588 1 646 . 1 1 143 143 PHE C C 13 174.6 0.15 . 1 . . . . 143 F C . 18588 1 647 . 1 1 143 143 PHE CA C 13 55.6 0.15 . 1 . . . . 143 F CA . 18588 1 648 . 1 1 143 143 PHE CB C 13 42.2 0.15 . 1 . . . . 143 F CB . 18588 1 649 . 1 1 143 143 PHE N N 15 115.42 0.15 . 1 . . . . 143 F N . 18588 1 650 . 1 1 144 144 SER H H 1 8.53 0.02 . 1 . . . . 144 S H . 18588 1 651 . 1 1 144 144 SER C C 13 175.7 0.15 . 1 . . . . 144 S C . 18588 1 652 . 1 1 144 144 SER CA C 13 55.9 0.15 . 1 . . . . 144 S CA . 18588 1 653 . 1 1 144 144 SER CB C 13 64.1 0.15 . 1 . . . . 144 S CB . 18588 1 654 . 1 1 144 144 SER N N 15 118.36 0.15 . 1 . . . . 144 S N . 18588 1 655 . 1 1 145 145 VAL H H 1 8.61 0.02 . 1 . . . . 145 V H . 18588 1 656 . 1 1 145 145 VAL C C 13 177.9 0.15 . 1 . . . . 145 V C . 18588 1 657 . 1 1 145 145 VAL CA C 13 66.2 0.15 . 1 . . . . 145 V CA . 18588 1 658 . 1 1 145 145 VAL CB C 13 30.4 0.15 . 1 . . . . 145 V CB . 18588 1 659 . 1 1 145 145 VAL N N 15 123.45 0.15 . 1 . . . . 145 V N . 18588 1 660 . 1 1 146 146 ASN H H 1 8.86 0.02 . 1 . . . . 146 N H . 18588 1 661 . 1 1 146 146 ASN C C 13 177.2 0.15 . 1 . . . . 146 N C . 18588 1 662 . 1 1 146 146 ASN CA C 13 56.0 0.15 . 1 . . . . 146 N CA . 18588 1 663 . 1 1 146 146 ASN CB C 13 37.0 0.15 . 1 . . . . 146 N CB . 18588 1 664 . 1 1 146 146 ASN N N 15 118.49 0.15 . 1 . . . . 146 N N . 18588 1 665 . 1 1 147 147 TYR H H 1 7.83 0.02 . 1 . . . . 147 Y H . 18588 1 666 . 1 1 147 147 TYR C C 13 177.7 0.15 . 1 . . . . 147 Y C . 18588 1 667 . 1 1 147 147 TYR CA C 13 60.4 0.15 . 1 . . . . 147 Y CA . 18588 1 668 . 1 1 147 147 TYR CB C 13 37.6 0.15 . 1 . . . . 147 Y CB . 18588 1 669 . 1 1 147 147 TYR N N 15 121.91 0.15 . 1 . . . . 147 Y N . 18588 1 670 . 1 1 148 148 MET H H 1 7.51 0.02 . 1 . . . . 148 M H . 18588 1 671 . 1 1 148 148 MET C C 13 177.7 0.15 . 1 . . . . 148 M C . 18588 1 672 . 1 1 148 148 MET CA C 13 58.8 0.15 . 1 . . . . 148 M CA . 18588 1 673 . 1 1 148 148 MET CB C 13 33.3 0.15 . 1 . . . . 148 M CB . 18588 1 674 . 1 1 148 148 MET N N 15 118.36 0.15 . 1 . . . . 148 M N . 18588 1 675 . 1 1 149 149 MET H H 1 8.28 0.02 . 1 . . . . 149 M H . 18588 1 676 . 1 1 149 149 MET C C 13 175.8 0.15 . 1 . . . . 149 M C . 18588 1 677 . 1 1 149 149 MET CA C 13 56.9 0.15 . 1 . . . . 149 M CA . 18588 1 678 . 1 1 149 149 MET CB C 13 31.7 0.15 . 1 . . . . 149 M CB . 18588 1 679 . 1 1 149 149 MET N N 15 114.78 0.15 . 1 . . . . 149 M N . 18588 1 680 . 1 1 150 150 ALA H H 1 7.06 0.02 . 1 . . . . 150 A H . 18588 1 681 . 1 1 150 150 ALA C C 13 178.5 0.15 . 1 . . . . 150 A C . 18588 1 682 . 1 1 150 150 ALA CA C 13 51.8 0.15 . 1 . . . . 150 A CA . 18588 1 683 . 1 1 150 150 ALA CB C 13 17.7 0.15 . 1 . . . . 150 A CB . 18588 1 684 . 1 1 150 150 ALA N N 15 119.15 0.15 . 1 . . . . 150 A N . 18588 1 685 . 1 1 151 151 LYS H H 1 7.14 0.02 . 1 . . . . 151 K H . 18588 1 686 . 1 1 151 151 LYS CA C 13 55.1 0.15 . 1 . . . . 151 K CA . 18588 1 687 . 1 1 151 151 LYS CB C 13 31.5 0.15 . 1 . . . . 151 K CB . 18588 1 688 . 1 1 151 151 LYS N N 15 118.53 0.15 . 1 . . . . 151 K N . 18588 1 689 . 1 1 153 153 SER C C 13 175.2 0.15 . 1 . . . . 153 S C . 18588 1 690 . 1 1 153 153 SER CA C 13 60.2 0.15 . 1 . . . . 153 S CA . 18588 1 691 . 1 1 153 153 SER CB C 13 62.3 0.15 . 1 . . . . 153 S CB . 18588 1 692 . 1 1 154 154 VAL H H 1 7.50 0.02 . 1 . . . . 154 V H . 18588 1 693 . 1 1 154 154 VAL C C 13 177.6 0.15 . 1 . . . . 154 V C . 18588 1 694 . 1 1 154 154 VAL CA C 13 64.9 0.15 . 1 . . . . 154 V CA . 18588 1 695 . 1 1 154 154 VAL CB C 13 31.3 0.15 . 1 . . . . 154 V CB . 18588 1 696 . 1 1 154 154 VAL N N 15 122.00 0.15 . 1 . . . . 154 V N . 18588 1 697 . 1 1 155 155 GLN H H 1 8.39 0.02 . 1 . . . . 155 Q H . 18588 1 698 . 1 1 155 155 GLN C C 13 178.2 0.15 . 1 . . . . 155 Q C . 18588 1 699 . 1 1 155 155 GLN CA C 13 58.9 0.15 . 1 . . . . 155 Q CA . 18588 1 700 . 1 1 155 155 GLN CB C 13 27.6 0.15 . 1 . . . . 155 Q CB . 18588 1 701 . 1 1 155 155 GLN N N 15 120.83 0.15 . 1 . . . . 155 Q N . 18588 1 702 . 1 1 156 156 SER H H 1 8.11 0.02 . 1 . . . . 156 S H . 18588 1 703 . 1 1 156 156 SER C C 13 175.9 0.15 . 1 . . . . 156 S C . 18588 1 704 . 1 1 156 156 SER CA C 13 60.0 0.15 . 1 . . . . 156 S CA . 18588 1 705 . 1 1 156 156 SER CB C 13 62.5 0.15 . 1 . . . . 156 S CB . 18588 1 706 . 1 1 156 156 SER N N 15 113.21 0.15 . 1 . . . . 156 S N . 18588 1 707 . 1 1 157 157 ARG H H 1 7.69 0.02 . 1 . . . . 157 R H . 18588 1 708 . 1 1 157 157 ARG C C 13 178.4 0.15 . 1 . . . . 157 R C . 18588 1 709 . 1 1 157 157 ARG CA C 13 56.5 0.15 . 1 . . . . 157 R CA . 18588 1 710 . 1 1 157 157 ARG CB C 13 29.8 0.15 . 1 . . . . 157 R CB . 18588 1 711 . 1 1 157 157 ARG N N 15 120.90 0.15 . 1 . . . . 157 R N . 18588 1 712 . 1 1 158 158 ILE H H 1 8.08 0.02 . 1 . . . . 158 I H . 18588 1 713 . 1 1 158 158 ILE C C 13 178.6 0.15 . 1 . . . . 158 I C . 18588 1 714 . 1 1 158 158 ILE CA C 13 64.1 0.15 . 1 . . . . 158 I CA . 18588 1 715 . 1 1 158 158 ILE CB C 13 36.8 0.15 . 1 . . . . 158 I CB . 18588 1 716 . 1 1 158 158 ILE N N 15 122.52 0.15 . 1 . . . . 158 I N . 18588 1 717 . 1 1 159 159 GLU H H 1 8.28 0.02 . 1 . . . . 159 E H . 18588 1 718 . 1 1 159 159 GLU C C 13 177.8 0.15 . 1 . . . . 159 E C . 18588 1 719 . 1 1 159 159 GLU CA C 13 58.3 0.15 . 1 . . . . 159 E CA . 18588 1 720 . 1 1 159 159 GLU CB C 13 28.6 0.15 . 1 . . . . 159 E CB . 18588 1 721 . 1 1 159 159 GLU N N 15 120.64 0.15 . 1 . . . . 159 E N . 18588 1 722 . 1 1 160 160 THR H H 1 7.50 0.02 . 1 . . . . 160 T H . 18588 1 723 . 1 1 160 160 THR C C 13 175.5 0.15 . 1 . . . . 160 T C . 18588 1 724 . 1 1 160 160 THR CA C 13 62.1 0.15 . 1 . . . . 160 T CA . 18588 1 725 . 1 1 160 160 THR CB C 13 68.8 0.15 . 1 . . . . 160 T CB . 18588 1 726 . 1 1 160 160 THR N N 15 109.55 0.15 . 1 . . . . 160 T N . 18588 1 727 . 1 1 161 161 GLY H H 1 7.78 0.02 . 1 . . . . 161 G H . 18588 1 728 . 1 1 161 161 GLY C C 13 174.3 0.15 . 1 . . . . 161 G C . 18588 1 729 . 1 1 161 161 GLY CA C 13 45.5 0.15 . 1 . . . . 161 G CA . 18588 1 730 . 1 1 161 161 GLY N N 15 109.77 0.15 . 1 . . . . 161 G N . 18588 1 731 . 1 1 162 162 ILE H H 1 7.41 0.02 . 1 . . . . 162 I H . 18588 1 732 . 1 1 162 162 ILE C C 13 175.1 0.15 . 1 . . . . 162 I C . 18588 1 733 . 1 1 162 162 ILE CA C 13 61.0 0.15 . 1 . . . . 162 I CA . 18588 1 734 . 1 1 162 162 ILE CB C 13 38.9 0.15 . 1 . . . . 162 I CB . 18588 1 735 . 1 1 162 162 ILE N N 15 118.57 0.15 . 1 . . . . 162 I N . 18588 1 736 . 1 1 163 163 SER H H 1 8.90 0.02 . 1 . . . . 163 S H . 18588 1 737 . 1 1 163 163 SER C C 13 175.3 0.15 . 1 . . . . 163 S C . 18588 1 738 . 1 1 163 163 SER CA C 13 57.5 0.15 . 1 . . . . 163 S CA . 18588 1 739 . 1 1 163 163 SER CB C 13 65.6 0.15 . 1 . . . . 163 S CB . 18588 1 740 . 1 1 163 163 SER N N 15 121.78 0.15 . 1 . . . . 163 S N . 18588 1 741 . 1 1 164 164 PHE H H 1 9.32 0.02 . 1 . . . . 164 F H . 18588 1 742 . 1 1 164 164 PHE C C 13 178.2 0.15 . 1 . . . . 164 F C . 18588 1 743 . 1 1 164 164 PHE CA C 13 62.1 0.15 . 1 . . . . 164 F CA . 18588 1 744 . 1 1 164 164 PHE CB C 13 37.4 0.15 . 1 . . . . 164 F CB . 18588 1 745 . 1 1 164 164 PHE N N 15 122.56 0.15 . 1 . . . . 164 F N . 18588 1 746 . 1 1 165 165 THR H H 1 7.29 0.02 . 1 . . . . 165 T H . 18588 1 747 . 1 1 165 165 THR C C 13 174.1 0.15 . 1 . . . . 165 T C . 18588 1 748 . 1 1 165 165 THR CA C 13 67.7 0.15 . 1 . . . . 165 T CA . 18588 1 749 . 1 1 165 165 THR CB C 13 68.6 0.15 . 1 . . . . 165 T CB . 18588 1 750 . 1 1 165 165 THR N N 15 118.31 0.15 . 1 . . . . 165 T N . 18588 1 751 . 1 1 166 166 GLU H H 1 7.62 0.02 . 1 . . . . 166 E H . 18588 1 752 . 1 1 166 166 GLU C C 13 179.9 0.15 . 1 . . . . 166 E C . 18588 1 753 . 1 1 166 166 GLU CA C 13 58.6 0.15 . 1 . . . . 166 E CA . 18588 1 754 . 1 1 166 166 GLU CB C 13 28.4 0.15 . 1 . . . . 166 E CB . 18588 1 755 . 1 1 166 166 GLU N N 15 121.44 0.15 . 1 . . . . 166 E N . 18588 1 756 . 1 1 167 167 PHE H H 1 8.26 0.02 . 1 . . . . 167 F H . 18588 1 757 . 1 1 167 167 PHE C C 13 176.3 0.15 . 1 . . . . 167 F C . 18588 1 758 . 1 1 167 167 PHE CA C 13 59.3 0.15 . 1 . . . . 167 F CA . 18588 1 759 . 1 1 167 167 PHE CB C 13 39.7 0.15 . 1 . . . . 167 F CB . 18588 1 760 . 1 1 167 167 PHE N N 15 122.19 0.15 . 1 . . . . 167 F N . 18588 1 761 . 1 1 168 168 SER H H 1 7.77 0.02 . 1 . . . . 168 S H . 18588 1 762 . 1 1 168 168 SER C C 13 176.2 0.15 . 1 . . . . 168 S C . 18588 1 763 . 1 1 168 168 SER CA C 13 61.1 0.15 . 1 . . . . 168 S CA . 18588 1 764 . 1 1 168 168 SER CB C 13 62.9 0.15 . 1 . . . . 168 S CB . 18588 1 765 . 1 1 168 168 SER N N 15 112.39 0.15 . 1 . . . . 168 S N . 18588 1 766 . 1 1 169 169 TYR H H 1 7.64 0.02 . 1 . . . . 169 Y H . 18588 1 767 . 1 1 169 169 TYR C C 13 178.2 0.15 . 1 . . . . 169 Y C . 18588 1 768 . 1 1 169 169 TYR CA C 13 58.7 0.15 . 1 . . . . 169 Y CA . 18588 1 769 . 1 1 169 169 TYR CB C 13 35.2 0.15 . 1 . . . . 169 Y CB . 18588 1 770 . 1 1 169 169 TYR N N 15 123.40 0.15 . 1 . . . . 169 Y N . 18588 1 771 . 1 1 170 170 MET H H 1 7.33 0.02 . 1 . . . . 170 M H . 18588 1 772 . 1 1 170 170 MET C C 13 177.6 0.15 . 1 . . . . 170 M C . 18588 1 773 . 1 1 170 170 MET CA C 13 58.7 0.15 . 1 . . . . 170 M CA . 18588 1 774 . 1 1 170 170 MET CB C 13 33.3 0.15 . 1 . . . . 170 M CB . 18588 1 775 . 1 1 170 170 MET N N 15 117.94 0.15 . 1 . . . . 170 M N . 18588 1 776 . 1 1 171 171 MET H H 1 6.96 0.02 . 1 . . . . 171 M H . 18588 1 777 . 1 1 171 171 MET C C 13 178.4 0.15 . 1 . . . . 171 M C . 18588 1 778 . 1 1 171 171 MET CA C 13 56.2 0.15 . 1 . . . . 171 M CA . 18588 1 779 . 1 1 171 171 MET CB C 13 34.6 0.15 . 1 . . . . 171 M CB . 18588 1 780 . 1 1 171 171 MET N N 15 115.03 0.15 . 1 . . . . 171 M N . 18588 1 781 . 1 1 172 172 LEU H H 1 7.22 0.02 . 1 . . . . 172 L H . 18588 1 782 . 1 1 172 172 LEU C C 13 177.9 0.15 . 1 . . . . 172 L C . 18588 1 783 . 1 1 172 172 LEU CA C 13 58.0 0.15 . 1 . . . . 172 L CA . 18588 1 784 . 1 1 172 172 LEU CB C 13 39.7 0.15 . 1 . . . . 172 L CB . 18588 1 785 . 1 1 172 172 LEU N N 15 119.06 0.15 . 1 . . . . 172 L N . 18588 1 786 . 1 1 173 173 GLN H H 1 8.08 0.02 . 1 . . . . 173 Q H . 18588 1 787 . 1 1 173 173 GLN C C 13 180.7 0.15 . 1 . . . . 173 Q C . 18588 1 788 . 1 1 173 173 GLN CA C 13 58.1 0.15 . 1 . . . . 173 Q CA . 18588 1 789 . 1 1 173 173 GLN CB C 13 26.6 0.15 . 1 . . . . 173 Q CB . 18588 1 790 . 1 1 173 173 GLN N N 15 116.84 0.15 . 1 . . . . 173 Q N . 18588 1 791 . 1 1 174 174 ALA H H 1 7.94 0.02 . 1 . . . . 174 A H . 18588 1 792 . 1 1 174 174 ALA C C 13 178.1 0.15 . 1 . . . . 174 A C . 18588 1 793 . 1 1 174 174 ALA CA C 13 54.7 0.15 . 1 . . . . 174 A CA . 18588 1 794 . 1 1 174 174 ALA CB C 13 16.5 0.15 . 1 . . . . 174 A CB . 18588 1 795 . 1 1 174 174 ALA N N 15 124.32 0.15 . 1 . . . . 174 A N . 18588 1 796 . 1 1 175 175 TYR H H 1 7.87 0.02 . 1 . . . . 175 Y H . 18588 1 797 . 1 1 175 175 TYR C C 13 176.5 0.15 . 1 . . . . 175 Y C . 18588 1 798 . 1 1 175 175 TYR CA C 13 60.5 0.15 . 1 . . . . 175 Y CA . 18588 1 799 . 1 1 175 175 TYR CB C 13 37.4 0.15 . 1 . . . . 175 Y CB . 18588 1 800 . 1 1 175 175 TYR N N 15 120.21 0.15 . 1 . . . . 175 Y N . 18588 1 801 . 1 1 176 176 ASP H H 1 8.41 0.02 . 1 . . . . 176 D H . 18588 1 802 . 1 1 176 176 ASP C C 13 177.6 0.15 . 1 . . . . 176 D C . 18588 1 803 . 1 1 176 176 ASP CA C 13 57.6 0.15 . 1 . . . . 176 D CA . 18588 1 804 . 1 1 176 176 ASP CB C 13 40.5 0.15 . 1 . . . . 176 D CB . 18588 1 805 . 1 1 176 176 ASP N N 15 119.50 0.15 . 1 . . . . 176 D N . 18588 1 806 . 1 1 177 177 PHE H H 1 7.09 0.02 . 1 . . . . 177 F H . 18588 1 807 . 1 1 177 177 PHE C C 13 178.9 0.15 . 1 . . . . 177 F C . 18588 1 808 . 1 1 177 177 PHE CA C 13 57.1 0.15 . 1 . . . . 177 F CA . 18588 1 809 . 1 1 177 177 PHE CB C 13 36.4 0.15 . 1 . . . . 177 F CB . 18588 1 810 . 1 1 177 177 PHE N N 15 120.41 0.15 . 1 . . . . 177 F N . 18588 1 811 . 1 1 178 178 LEU H H 1 7.61 0.02 . 1 . . . . 178 L H . 18588 1 812 . 1 1 178 178 LEU C C 13 177.9 0.15 . 1 . . . . 178 L C . 18588 1 813 . 1 1 178 178 LEU CA C 13 58.3 0.15 . 1 . . . . 178 L CA . 18588 1 814 . 1 1 178 178 LEU CB C 13 40.5 0.15 . 1 . . . . 178 L CB . 18588 1 815 . 1 1 178 178 LEU N N 15 120.25 0.15 . 1 . . . . 178 L N . 18588 1 816 . 1 1 179 179 ARG H H 1 8.40 0.02 . 1 . . . . 179 R H . 18588 1 817 . 1 1 179 179 ARG C C 13 180.9 0.15 . 1 . . . . 179 R C . 18588 1 818 . 1 1 179 179 ARG CA C 13 56.9 0.15 . 1 . . . . 179 R CA . 18588 1 819 . 1 1 179 179 ARG CB C 13 26.1 0.15 . 1 . . . . 179 R CB . 18588 1 820 . 1 1 179 179 ARG N N 15 116.79 0.15 . 1 . . . . 179 R N . 18588 1 821 . 1 1 180 180 LEU H H 1 8.18 0.02 . 1 . . . . 180 L H . 18588 1 822 . 1 1 180 180 LEU C C 13 180.2 0.15 . 1 . . . . 180 L C . 18588 1 823 . 1 1 180 180 LEU CA C 13 57.2 0.15 . 1 . . . . 180 L CA . 18588 1 824 . 1 1 180 180 LEU CB C 13 39.9 0.15 . 1 . . . . 180 L CB . 18588 1 825 . 1 1 180 180 LEU N N 15 122.56 0.15 . 1 . . . . 180 L N . 18588 1 826 . 1 1 181 181 TYR H H 1 9.10 0.02 . 1 . . . . 181 Y H . 18588 1 827 . 1 1 181 181 TYR C C 13 178.3 0.15 . 1 . . . . 181 Y C . 18588 1 828 . 1 1 181 181 TYR CA C 13 61.5 0.15 . 1 . . . . 181 Y CA . 18588 1 829 . 1 1 181 181 TYR CB C 13 37.2 0.15 . 1 . . . . 181 Y CB . 18588 1 830 . 1 1 181 181 TYR N N 15 127.36 0.15 . 1 . . . . 181 Y N . 18588 1 831 . 1 1 182 182 GLU H H 1 8.28 0.02 . 1 . . . . 182 E H . 18588 1 832 . 1 1 182 182 GLU C C 13 178.9 0.15 . 1 . . . . 182 E C . 18588 1 833 . 1 1 182 182 GLU CA C 13 59.0 0.15 . 1 . . . . 182 E CA . 18588 1 834 . 1 1 182 182 GLU CB C 13 30.4 0.15 . 1 . . . . 182 E CB . 18588 1 835 . 1 1 182 182 GLU N N 15 117.58 0.15 . 1 . . . . 182 E N . 18588 1 836 . 1 1 183 183 THR H H 1 8.12 0.02 . 1 . . . . 183 T H . 18588 1 837 . 1 1 183 183 THR C C 13 176.2 0.15 . 1 . . . . 183 T C . 18588 1 838 . 1 1 183 183 THR CA C 13 63.1 0.15 . 1 . . . . 183 T CA . 18588 1 839 . 1 1 183 183 THR CB C 13 70.2 0.15 . 1 . . . . 183 T CB . 18588 1 840 . 1 1 183 183 THR N N 15 107.32 0.15 . 1 . . . . 183 T N . 18588 1 841 . 1 1 184 184 GLU H H 1 7.39 0.02 . 1 . . . . 184 E H . 18588 1 842 . 1 1 184 184 GLU C C 13 176.6 0.15 . 1 . . . . 184 E C . 18588 1 843 . 1 1 184 184 GLU CA C 13 54.1 0.15 . 1 . . . . 184 E CA . 18588 1 844 . 1 1 184 184 GLU CB C 13 29.8 0.15 . 1 . . . . 184 E CB . 18588 1 845 . 1 1 184 184 GLU N N 15 118.95 0.15 . 1 . . . . 184 E N . 18588 1 846 . 1 1 185 185 GLY H H 1 7.06 0.02 . 1 . . . . 185 G H . 18588 1 847 . 1 1 185 185 GLY C C 13 174.7 0.15 . 1 . . . . 185 G C . 18588 1 848 . 1 1 185 185 GLY CA C 13 46.1 0.15 . 1 . . . . 185 G CA . 18588 1 849 . 1 1 185 185 GLY N N 15 108.79 0.15 . 1 . . . . 185 G N . 18588 1 850 . 1 1 186 186 CYS H H 1 7.33 0.02 . 1 . . . . 186 C H . 18588 1 851 . 1 1 186 186 CYS C C 13 173.5 0.15 . 1 . . . . 186 C C . 18588 1 852 . 1 1 186 186 CYS CA C 13 59.0 0.15 . 1 . . . . 186 C CA . 18588 1 853 . 1 1 186 186 CYS CB C 13 27.2 0.15 . 1 . . . . 186 C CB . 18588 1 854 . 1 1 186 186 CYS N N 15 119.55 0.15 . 1 . . . . 186 C N . 18588 1 855 . 1 1 187 187 ARG H H 1 7.61 0.02 . 1 . . . . 187 R H . 18588 1 856 . 1 1 187 187 ARG C C 13 174.2 0.15 . 1 . . . . 187 R C . 18588 1 857 . 1 1 187 187 ARG CA C 13 55.4 0.15 . 1 . . . . 187 R CA . 18588 1 858 . 1 1 187 187 ARG CB C 13 31.7 0.15 . 1 . . . . 187 R CB . 18588 1 859 . 1 1 187 187 ARG N N 15 124.02 0.15 . 1 . . . . 187 R N . 18588 1 860 . 1 1 188 188 LEU H H 1 7.77 0.02 . 1 . . . . 188 L H . 18588 1 861 . 1 1 188 188 LEU C C 13 172.9 0.15 . 1 . . . . 188 L C . 18588 1 862 . 1 1 188 188 LEU CA C 13 53.5 0.15 . 1 . . . . 188 L CA . 18588 1 863 . 1 1 188 188 LEU CB C 13 44.4 0.15 . 1 . . . . 188 L CB . 18588 1 864 . 1 1 188 188 LEU N N 15 121.15 0.15 . 1 . . . . 188 L N . 18588 1 865 . 1 1 189 189 GLN H H 1 7.79 0.02 . 1 . . . . 189 Q H . 18588 1 866 . 1 1 189 189 GLN C C 13 174.0 0.15 . 1 . . . . 189 Q C . 18588 1 867 . 1 1 189 189 GLN CA C 13 52.6 0.15 . 1 . . . . 189 Q CA . 18588 1 868 . 1 1 189 189 GLN CB C 13 30.2 0.15 . 1 . . . . 189 Q CB . 18588 1 869 . 1 1 189 189 GLN N N 15 126.49 0.15 . 1 . . . . 189 Q N . 18588 1 870 . 1 1 190 190 ILE H H 1 8.03 0.02 . 1 . . . . 190 I H . 18588 1 871 . 1 1 190 190 ILE C C 13 175.0 0.15 . 1 . . . . 190 I C . 18588 1 872 . 1 1 190 190 ILE CA C 13 57.0 0.15 . 1 . . . . 190 I CA . 18588 1 873 . 1 1 190 190 ILE CB C 13 40.1 0.15 . 1 . . . . 190 I CB . 18588 1 874 . 1 1 190 190 ILE N N 15 119.70 0.15 . 1 . . . . 190 I N . 18588 1 875 . 1 1 191 191 GLY H H 1 7.41 0.02 . 1 . . . . 191 G H . 18588 1 876 . 1 1 191 191 GLY C C 13 171.7 0.15 . 1 . . . . 191 G C . 18588 1 877 . 1 1 191 191 GLY CA C 13 44.2 0.15 . 1 . . . . 191 G CA . 18588 1 878 . 1 1 191 191 GLY N N 15 104.80 0.15 . 1 . . . . 191 G N . 18588 1 879 . 1 1 192 192 GLY H H 1 8.67 0.02 . 1 . . . . 192 G H . 18588 1 880 . 1 1 192 192 GLY C C 13 175.6 0.15 . 1 . . . . 192 G C . 18588 1 881 . 1 1 192 192 GLY CA C 13 44.4 0.15 . 1 . . . . 192 G CA . 18588 1 882 . 1 1 192 192 GLY N N 15 106.62 0.15 . 1 . . . . 192 G N . 18588 1 883 . 1 1 193 193 SER H H 1 7.94 0.02 . 1 . . . . 193 S H . 18588 1 884 . 1 1 193 193 SER C C 13 174.3 0.15 . 1 . . . . 193 S C . 18588 1 885 . 1 1 193 193 SER CA C 13 61.8 0.15 . 1 . . . . 193 S CA . 18588 1 886 . 1 1 193 193 SER CB C 13 62.5 0.15 . 1 . . . . 193 S CB . 18588 1 887 . 1 1 193 193 SER N N 15 115.48 0.15 . 1 . . . . 193 S N . 18588 1 888 . 1 1 194 194 ASP H H 1 8.65 0.02 . 1 . . . . 194 D H . 18588 1 889 . 1 1 194 194 ASP C C 13 177.2 0.15 . 1 . . . . 194 D C . 18588 1 890 . 1 1 194 194 ASP CA C 13 54.7 0.15 . 1 . . . . 194 D CA . 18588 1 891 . 1 1 194 194 ASP CB C 13 38.7 0.15 . 1 . . . . 194 D CB . 18588 1 892 . 1 1 194 194 ASP N N 15 119.74 0.15 . 1 . . . . 194 D N . 18588 1 893 . 1 1 195 195 GLN H H 1 8.17 0.02 . 1 . . . . 195 Q H . 18588 1 894 . 1 1 195 195 GLN C C 13 176.2 0.15 . 1 . . . . 195 Q C . 18588 1 895 . 1 1 195 195 GLN CA C 13 54.4 0.15 . 1 . . . . 195 Q CA . 18588 1 896 . 1 1 195 195 GLN CB C 13 28.2 0.15 . 1 . . . . 195 Q CB . 18588 1 897 . 1 1 195 195 GLN N N 15 118.53 0.15 . 1 . . . . 195 Q N . 18588 1 898 . 1 1 196 196 TRP H H 1 7.47 0.02 . 1 . . . . 196 W H . 18588 1 899 . 1 1 196 196 TRP CA C 13 60.2 0.15 . 1 . . . . 196 W CA . 18588 1 900 . 1 1 196 196 TRP CB C 13 30.2 0.15 . 1 . . . . 196 W CB . 18588 1 901 . 1 1 196 196 TRP N N 15 121.51 0.15 . 1 . . . . 196 W N . 18588 1 902 . 1 1 197 197 GLY C C 13 175.2 0.15 . 1 . . . . 197 G C . 18588 1 903 . 1 1 197 197 GLY CA C 13 46.8 0.15 . 1 . . . . 197 G CA . 18588 1 904 . 1 1 198 198 ASN H H 1 7.73 0.02 . 1 . . . . 198 N H . 18588 1 905 . 1 1 198 198 ASN C C 13 179.1 0.15 . 1 . . . . 198 N C . 18588 1 906 . 1 1 198 198 ASN CA C 13 55.2 0.15 . 1 . . . . 198 N CA . 18588 1 907 . 1 1 198 198 ASN CB C 13 37.6 0.15 . 1 . . . . 198 N CB . 18588 1 908 . 1 1 198 198 ASN N N 15 121.45 0.15 . 1 . . . . 198 N N . 18588 1 909 . 1 1 199 199 ILE H H 1 8.45 0.02 . 1 . . . . 199 I H . 18588 1 910 . 1 1 199 199 ILE C C 13 177.9 0.15 . 1 . . . . 199 I C . 18588 1 911 . 1 1 199 199 ILE CA C 13 65.4 0.15 . 1 . . . . 199 I CA . 18588 1 912 . 1 1 199 199 ILE CB C 13 37.4 0.15 . 1 . . . . 199 I CB . 18588 1 913 . 1 1 199 199 ILE N N 15 124.49 0.15 . 1 . . . . 199 I N . 18588 1 914 . 1 1 200 200 THR H H 1 7.98 0.02 . 1 . . . . 200 T H . 18588 1 915 . 1 1 200 200 THR C C 13 177.9 0.15 . 1 . . . . 200 T C . 18588 1 916 . 1 1 200 200 THR CA C 13 64.9 0.15 . 1 . . . . 200 T CA . 18588 1 917 . 1 1 200 200 THR CB C 13 67.8 0.15 . 1 . . . . 200 T CB . 18588 1 918 . 1 1 200 200 THR N N 15 110.06 0.15 . 1 . . . . 200 T N . 18588 1 919 . 1 1 201 201 ALA H H 1 7.63 0.02 . 1 . . . . 201 A H . 18588 1 920 . 1 1 201 201 ALA C C 13 179.7 0.15 . 1 . . . . 201 A C . 18588 1 921 . 1 1 201 201 ALA CA C 13 54.8 0.15 . 1 . . . . 201 A CA . 18588 1 922 . 1 1 201 201 ALA CB C 13 16.7 0.15 . 1 . . . . 201 A CB . 18588 1 923 . 1 1 201 201 ALA N N 15 125.26 0.15 . 1 . . . . 201 A N . 18588 1 924 . 1 1 202 202 GLY H H 1 7.66 0.02 . 1 . . . . 202 G H . 18588 1 925 . 1 1 202 202 GLY C C 13 174.8 0.15 . 1 . . . . 202 G C . 18588 1 926 . 1 1 202 202 GLY CA C 13 47.9 0.15 . 1 . . . . 202 G CA . 18588 1 927 . 1 1 202 202 GLY N N 15 105.72 0.15 . 1 . . . . 202 G N . 18588 1 928 . 1 1 203 203 LEU H H 1 7.61 0.02 . 1 . . . . 203 L H . 18588 1 929 . 1 1 203 203 LEU C C 13 179.2 0.15 . 1 . . . . 203 L C . 18588 1 930 . 1 1 203 203 LEU CA C 13 57.3 0.15 . 1 . . . . 203 L CA . 18588 1 931 . 1 1 203 203 LEU CB C 13 40.1 0.15 . 1 . . . . 203 L CB . 18588 1 932 . 1 1 203 203 LEU N N 15 121.10 0.15 . 1 . . . . 203 L N . 18588 1 933 . 1 1 204 204 GLU H H 1 7.93 0.02 . 1 . . . . 204 E H . 18588 1 934 . 1 1 204 204 GLU C C 13 178.0 0.15 . 1 . . . . 204 E C . 18588 1 935 . 1 1 204 204 GLU CA C 13 58.1 0.15 . 1 . . . . 204 E CA . 18588 1 936 . 1 1 204 204 GLU CB C 13 28.4 0.15 . 1 . . . . 204 E CB . 18588 1 937 . 1 1 204 204 GLU N N 15 121.54 0.15 . 1 . . . . 204 E N . 18588 1 938 . 1 1 205 205 LEU H H 1 8.00 0.02 . 1 . . . . 205 L H . 18588 1 939 . 1 1 205 205 LEU C C 13 179.8 0.15 . 1 . . . . 205 L C . 18588 1 940 . 1 1 205 205 LEU CA C 13 57.3 0.15 . 1 . . . . 205 L CA . 18588 1 941 . 1 1 205 205 LEU CB C 13 40.5 0.15 . 1 . . . . 205 L CB . 18588 1 942 . 1 1 205 205 LEU N N 15 120.50 0.15 . 1 . . . . 205 L N . 18588 1 943 . 1 1 206 206 ILE H H 1 8.00 0.02 . 1 . . . . 206 I H . 18588 1 944 . 1 1 206 206 ILE C C 13 177.2 0.15 . 1 . . . . 206 I C . 18588 1 945 . 1 1 206 206 ILE CA C 13 65.6 0.15 . 1 . . . . 206 I CA . 18588 1 946 . 1 1 206 206 ILE CB C 13 37.0 0.15 . 1 . . . . 206 I CB . 18588 1 947 . 1 1 206 206 ILE N N 15 121.75 0.15 . 1 . . . . 206 I N . 18588 1 948 . 1 1 207 207 ARG H H 1 7.99 0.02 . 1 . . . . 207 R H . 18588 1 949 . 1 1 207 207 ARG C C 13 179.7 0.15 . 1 . . . . 207 R C . 18588 1 950 . 1 1 207 207 ARG CA C 13 59.1 0.15 . 1 . . . . 207 R CA . 18588 1 951 . 1 1 207 207 ARG CB C 13 28.8 0.15 . 1 . . . . 207 R CB . 18588 1 952 . 1 1 207 207 ARG N N 15 121.22 0.15 . 1 . . . . 207 R N . 18588 1 953 . 1 1 208 208 LYS H H 1 8.13 0.02 . 1 . . . . 208 K H . 18588 1 954 . 1 1 208 208 LYS C C 13 177.9 0.15 . 1 . . . . 208 K C . 18588 1 955 . 1 1 208 208 LYS CA C 13 58.0 0.15 . 1 . . . . 208 K CA . 18588 1 956 . 1 1 208 208 LYS CB C 13 31.6 0.15 . 1 . . . . 208 K CB . 18588 1 957 . 1 1 208 208 LYS N N 15 117.49 0.15 . 1 . . . . 208 K N . 18588 1 958 . 1 1 209 209 THR H H 1 7.49 0.02 . 1 . . . . 209 T H . 18588 1 959 . 1 1 209 209 THR C C 13 175.9 0.15 . 1 . . . . 209 T C . 18588 1 960 . 1 1 209 209 THR CA C 13 63.8 0.15 . 1 . . . . 209 T CA . 18588 1 961 . 1 1 209 209 THR CB C 13 69.0 0.15 . 1 . . . . 209 T CB . 18588 1 962 . 1 1 209 209 THR N N 15 109.83 0.15 . 1 . . . . 209 T N . 18588 1 963 . 1 1 210 210 LYS H H 1 8.22 0.02 . 1 . . . . 210 K H . 18588 1 964 . 1 1 210 210 LYS C C 13 177.6 0.15 . 1 . . . . 210 K C . 18588 1 965 . 1 1 210 210 LYS CA C 13 54.0 0.15 . 1 . . . . 210 K CA . 18588 1 966 . 1 1 210 210 LYS CB C 13 31.1 0.15 . 1 . . . . 210 K CB . 18588 1 967 . 1 1 210 210 LYS N N 15 118.51 0.15 . 1 . . . . 210 K N . 18588 1 968 . 1 1 211 211 GLY H H 1 7.67 0.02 . 1 . . . . 211 G H . 18588 1 969 . 1 1 211 211 GLY C C 13 173.4 0.15 . 1 . . . . 211 G C . 18588 1 970 . 1 1 211 211 GLY CA C 13 45.2 0.15 . 1 . . . . 211 G CA . 18588 1 971 . 1 1 211 211 GLY N N 15 110.37 0.15 . 1 . . . . 211 G N . 18588 1 972 . 1 1 212 212 GLU H H 1 7.20 0.02 . 1 . . . . 212 E H . 18588 1 973 . 1 1 212 212 GLU C C 13 174.8 0.15 . 1 . . . . 212 E C . 18588 1 974 . 1 1 212 212 GLU CA C 13 55.3 0.15 . 1 . . . . 212 E CA . 18588 1 975 . 1 1 212 212 GLU CB C 13 29.8 0.15 . 1 . . . . 212 E CB . 18588 1 976 . 1 1 212 212 GLU N N 15 119.83 0.15 . 1 . . . . 212 E N . 18588 1 977 . 1 1 213 213 ALA H H 1 8.18 0.02 . 1 . . . . 213 A H . 18588 1 978 . 1 1 213 213 ALA CA C 13 51.2 0.15 . 1 . . . . 213 A CA . 18588 1 979 . 1 1 213 213 ALA CB C 13 19.4 0.15 . 1 . . . . 213 A CB . 18588 1 980 . 1 1 213 213 ALA N N 15 126.46 0.15 . 1 . . . . 213 A N . 18588 1 981 . 1 1 214 214 ARG C C 13 173.7 0.15 . 1 . . . . 214 R C . 18588 1 982 . 1 1 214 214 ARG CA C 13 54.6 0.15 . 1 . . . . 214 R CA . 18588 1 983 . 1 1 214 214 ARG CB C 13 28.6 0.15 . 1 . . . . 214 R CB . 18588 1 984 . 1 1 215 215 ALA H H 1 6.76 0.02 . 1 . . . . 215 A H . 18588 1 985 . 1 1 215 215 ALA C C 13 175.2 0.15 . 1 . . . . 215 A C . 18588 1 986 . 1 1 215 215 ALA CA C 13 50.2 0.15 . 1 . . . . 215 A CA . 18588 1 987 . 1 1 215 215 ALA CB C 13 20.0 0.15 . 1 . . . . 215 A CB . 18588 1 988 . 1 1 215 215 ALA N N 15 122.20 0.15 . 1 . . . . 215 A N . 18588 1 989 . 1 1 216 216 PHE H H 1 8.69 0.02 . 1 . . . . 216 F H . 18588 1 990 . 1 1 216 216 PHE C C 13 173.5 0.15 . 1 . . . . 216 F C . 18588 1 991 . 1 1 216 216 PHE CA C 13 57.4 0.15 . 1 . . . . 216 F CA . 18588 1 992 . 1 1 216 216 PHE CB C 13 45.2 0.15 . 1 . . . . 216 F CB . 18588 1 993 . 1 1 216 216 PHE N N 15 116.44 0.15 . 1 . . . . 216 F N . 18588 1 994 . 1 1 217 217 GLY H H 1 8.31 0.02 . 1 . . . . 217 G H . 18588 1 995 . 1 1 217 217 GLY C C 13 171.8 0.15 . 1 . . . . 217 G C . 18588 1 996 . 1 1 217 217 GLY CA C 13 43.0 0.15 . 1 . . . . 217 G CA . 18588 1 997 . 1 1 217 217 GLY N N 15 106.23 0.15 . 1 . . . . 217 G N . 18588 1 998 . 1 1 218 218 LEU H H 1 8.22 0.02 . 1 . . . . 218 L H . 18588 1 999 . 1 1 218 218 LEU C C 13 174.4 0.15 . 1 . . . . 218 L C . 18588 1 1000 . 1 1 218 218 LEU CA C 13 55.1 0.15 . 1 . . . . 218 L CA . 18588 1 1001 . 1 1 218 218 LEU CB C 13 45.5 0.15 . 1 . . . . 218 L CB . 18588 1 1002 . 1 1 218 218 LEU N N 15 125.49 0.15 . 1 . . . . 218 L N . 18588 1 1003 . 1 1 219 219 THR H H 1 9.12 0.02 . 1 . . . . 219 T H . 18588 1 1004 . 1 1 219 219 THR C C 13 173.4 0.15 . 1 . . . . 219 T C . 18588 1 1005 . 1 1 219 219 THR CA C 13 57.3 0.15 . 1 . . . . 219 T CA . 18588 1 1006 . 1 1 219 219 THR CB C 13 71.3 0.15 . 1 . . . . 219 T CB . 18588 1 1007 . 1 1 219 219 THR N N 15 114.21 0.15 . 1 . . . . 219 T N . 18588 1 1008 . 1 1 220 220 ILE H H 1 8.17 0.02 . 1 . . . . 220 I H . 18588 1 1009 . 1 1 220 220 ILE C C 13 174.5 0.15 . 1 . . . . 220 I C . 18588 1 1010 . 1 1 220 220 ILE CA C 13 56.7 0.15 . 1 . . . . 220 I CA . 18588 1 1011 . 1 1 220 220 ILE CB C 13 39.7 0.15 . 1 . . . . 220 I CB . 18588 1 1012 . 1 1 220 220 ILE N N 15 122.93 0.15 . 1 . . . . 220 I N . 18588 1 1013 . 1 1 221 221 PRO C C 13 176.4 0.15 . 1 . . . . 221 P C . 18588 1 1014 . 1 1 221 221 PRO CA C 13 62.3 0.15 . 1 . . . . 221 P CA . 18588 1 1015 . 1 1 221 221 PRO CB C 13 31.1 0.15 . 1 . . . . 221 P CB . 18588 1 1016 . 1 1 222 222 LEU H H 1 7.72 0.02 . 1 . . . . 222 L H . 18588 1 1017 . 1 1 222 222 LEU C C 13 177.2 0.15 . 1 . . . . 222 L C . 18588 1 1018 . 1 1 222 222 LEU CA C 13 54.6 0.15 . 1 . . . . 222 L CA . 18588 1 1019 . 1 1 222 222 LEU CB C 13 40.7 0.15 . 1 . . . . 222 L CB . 18588 1 1020 . 1 1 222 222 LEU N N 15 121.06 0.15 . 1 . . . . 222 L N . 18588 1 1021 . 1 1 223 223 VAL H H 1 7.90 0.02 . 1 . . . . 223 V H . 18588 1 1022 . 1 1 223 223 VAL C C 13 175.4 0.15 . 1 . . . . 223 V C . 18588 1 1023 . 1 1 223 223 VAL CA C 13 64.0 0.15 . 1 . . . . 223 V CA . 18588 1 1024 . 1 1 223 223 VAL CB C 13 30.7 0.15 . 1 . . . . 223 V CB . 18588 1 1025 . 1 1 223 223 VAL N N 15 126.97 0.15 . 1 . . . . 223 V N . 18588 1 1026 . 1 1 224 224 THR H H 1 7.75 0.02 . 1 . . . . 224 T H . 18588 1 1027 . 1 1 224 224 THR C C 13 175.1 0.15 . 1 . . . . 224 T C . 18588 1 1028 . 1 1 224 224 THR CA C 13 59.5 0.15 . 1 . . . . 224 T CA . 18588 1 1029 . 1 1 224 224 THR CB C 13 71.7 0.15 . 1 . . . . 224 T CB . 18588 1 1030 . 1 1 224 224 THR N N 15 117.65 0.15 . 1 . . . . 224 T N . 18588 1 1031 . 1 1 225 225 LYS H H 1 8.64 0.02 . 1 . . . . 225 K H . 18588 1 1032 . 1 1 225 225 LYS C C 13 178.7 0.15 . 1 . . . . 225 K C . 18588 1 1033 . 1 1 225 225 LYS CA C 13 55.3 0.15 . 1 . . . . 225 K CA . 18588 1 1034 . 1 1 225 225 LYS CB C 13 33.7 0.15 . 1 . . . . 225 K CB . 18588 1 1035 . 1 1 225 225 LYS N N 15 122.41 0.15 . 1 . . . . 225 K N . 18588 1 1036 . 1 1 226 226 ALA H H 1 10.74 0.02 . 1 . . . . 226 A H . 18588 1 1037 . 1 1 226 226 ALA C C 13 178.8 0.15 . 1 . . . . 226 A C . 18588 1 1038 . 1 1 226 226 ALA CA C 13 54.5 0.15 . 1 . . . . 226 A CA . 18588 1 1039 . 1 1 226 226 ALA CB C 13 17.6 0.15 . 1 . . . . 226 A CB . 18588 1 1040 . 1 1 226 226 ALA N N 15 130.89 0.15 . 1 . . . . 226 A N . 18588 1 1041 . 1 1 227 227 ASP H H 1 8.16 0.02 . 1 . . . . 227 D H . 18588 1 1042 . 1 1 227 227 ASP C C 13 177.5 0.15 . 1 . . . . 227 D C . 18588 1 1043 . 1 1 227 227 ASP CA C 13 53.0 0.15 . 1 . . . . 227 D CA . 18588 1 1044 . 1 1 227 227 ASP CB C 13 39.3 0.15 . 1 . . . . 227 D CB . 18588 1 1045 . 1 1 227 227 ASP N N 15 115.32 0.15 . 1 . . . . 227 D N . 18588 1 1046 . 1 1 228 228 GLY H H 1 8.12 0.02 . 1 . . . . 228 G H . 18588 1 1047 . 1 1 228 228 GLY C C 13 175.2 0.15 . 1 . . . . 228 G C . 18588 1 1048 . 1 1 228 228 GLY CA C 13 45.0 0.15 . 1 . . . . 228 G CA . 18588 1 1049 . 1 1 228 228 GLY N N 15 108.26 0.15 . 1 . . . . 228 G N . 18588 1 1050 . 1 1 229 229 THR H H 1 8.08 0.02 . 1 . . . . 229 T H . 18588 1 1051 . 1 1 229 229 THR C C 13 174.2 0.15 . 1 . . . . 229 T C . 18588 1 1052 . 1 1 229 229 THR CA C 13 61.8 0.15 . 1 . . . . 229 T CA . 18588 1 1053 . 1 1 229 229 THR CB C 13 69.8 0.15 . 1 . . . . 229 T CB . 18588 1 1054 . 1 1 229 229 THR N N 15 114.83 0.15 . 1 . . . . 229 T N . 18588 1 1055 . 1 1 230 230 LYS H H 1 8.15 0.02 . 1 . . . . 230 K H . 18588 1 1056 . 1 1 230 230 LYS C C 13 177.1 0.15 . 1 . . . . 230 K C . 18588 1 1057 . 1 1 230 230 LYS CA C 13 56.5 0.15 . 1 . . . . 230 K CA . 18588 1 1058 . 1 1 230 230 LYS CB C 13 32.1 0.15 . 1 . . . . 230 K CB . 18588 1 1059 . 1 1 230 230 LYS N N 15 120.73 0.15 . 1 . . . . 230 K N . 18588 1 1060 . 1 1 231 231 PHE H H 1 8.61 0.02 . 1 . . . . 231 F H . 18588 1 1061 . 1 1 231 231 PHE C C 13 176.1 0.15 . 1 . . . . 231 F C . 18588 1 1062 . 1 1 231 231 PHE CA C 13 58.2 0.15 . 1 . . . . 231 F CA . 18588 1 1063 . 1 1 231 231 PHE CB C 13 39.1 0.15 . 1 . . . . 231 F CB . 18588 1 1064 . 1 1 231 231 PHE N N 15 126.48 0.15 . 1 . . . . 231 F N . 18588 1 1065 . 1 1 232 232 GLY H H 1 8.05 0.02 . 1 . . . . 232 G H . 18588 1 1066 . 1 1 232 232 GLY C C 13 171.6 0.15 . 1 . . . . 232 G C . 18588 1 1067 . 1 1 232 232 GLY CA C 13 44.4 0.15 . 1 . . . . 232 G CA . 18588 1 1068 . 1 1 232 232 GLY N N 15 113.94 0.15 . 1 . . . . 232 G N . 18588 1 1069 . 1 1 233 233 LYS H H 1 7.16 0.02 . 1 . . . . 233 K H . 18588 1 1070 . 1 1 233 233 LYS C C 13 176.0 0.15 . 1 . . . . 233 K C . 18588 1 1071 . 1 1 233 233 LYS CA C 13 55.0 0.15 . 1 . . . . 233 K CA . 18588 1 1072 . 1 1 233 233 LYS CB C 13 32.3 0.15 . 1 . . . . 233 K CB . 18588 1 1073 . 1 1 233 233 LYS N N 15 120.58 0.15 . 1 . . . . 233 K N . 18588 1 1074 . 1 1 234 234 THR H H 1 7.96 0.02 . 1 . . . . 234 T H . 18588 1 1075 . 1 1 234 234 THR CA C 13 59.6 0.15 . 1 . . . . 234 T CA . 18588 1 1076 . 1 1 234 234 THR CB C 13 70.5 0.15 . 1 . . . . 234 T CB . 18588 1 1077 . 1 1 234 234 THR N N 15 117.42 0.15 . 1 . . . . 234 T N . 18588 1 1078 . 1 1 236 236 SER H H 1 7.92 0.02 . 1 . . . . 236 S H . 18588 1 1079 . 1 1 236 236 SER C C 13 174.3 0.15 . 1 . . . . 236 S C . 18588 1 1080 . 1 1 236 236 SER CA C 13 57.6 0.15 . 1 . . . . 236 S CA . 18588 1 1081 . 1 1 236 236 SER CB C 13 63.3 0.15 . 1 . . . . 236 S CB . 18588 1 1082 . 1 1 236 236 SER N N 15 112.59 0.15 . 1 . . . . 236 S N . 18588 1 1083 . 1 1 237 237 GLY H H 1 7.53 0.02 . 1 . . . . 237 G H . 18588 1 1084 . 1 1 237 237 GLY C C 13 173.0 0.15 . 1 . . . . 237 G C . 18588 1 1085 . 1 1 237 237 GLY CA C 13 44.8 0.15 . 1 . . . . 237 G CA . 18588 1 1086 . 1 1 237 237 GLY N N 15 111.31 0.15 . 1 . . . . 237 G N . 18588 1 1087 . 1 1 238 238 THR H H 1 7.80 0.02 . 1 . . . . 238 T H . 18588 1 1088 . 1 1 238 238 THR C C 13 171.8 0.15 . 1 . . . . 238 T C . 18588 1 1089 . 1 1 238 238 THR CA C 13 61.5 0.15 . 1 . . . . 238 T CA . 18588 1 1090 . 1 1 238 238 THR CB C 13 69.8 0.15 . 1 . . . . 238 T CB . 18588 1 1091 . 1 1 238 238 THR N N 15 120.56 0.15 . 1 . . . . 238 T N . 18588 1 1092 . 1 1 239 239 ILE H H 1 7.19 0.02 . 1 . . . . 239 I H . 18588 1 1093 . 1 1 239 239 ILE C C 13 173.9 0.15 . 1 . . . . 239 I C . 18588 1 1094 . 1 1 239 239 ILE CA C 13 57.2 0.15 . 1 . . . . 239 I CA . 18588 1 1095 . 1 1 239 239 ILE CB C 13 33.5 0.15 . 1 . . . . 239 I CB . 18588 1 1096 . 1 1 239 239 ILE N N 15 124.72 0.15 . 1 . . . . 239 I N . 18588 1 1097 . 1 1 240 240 TRP H H 1 8.61 0.02 . 1 . . . . 240 W H . 18588 1 1098 . 1 1 240 240 TRP C C 13 176.2 0.15 . 1 . . . . 240 W C . 18588 1 1099 . 1 1 240 240 TRP CA C 13 56.2 0.15 . 1 . . . . 240 W CA . 18588 1 1100 . 1 1 240 240 TRP CB C 13 31.1 0.15 . 1 . . . . 240 W CB . 18588 1 1101 . 1 1 240 240 TRP N N 15 128.74 0.15 . 1 . . . . 240 W N . 18588 1 1102 . 1 1 241 241 LEU H H 1 8.43 0.02 . 1 . . . . 241 L H . 18588 1 1103 . 1 1 241 241 LEU C C 13 174.8 0.15 . 1 . . . . 241 L C . 18588 1 1104 . 1 1 241 241 LEU CA C 13 54.5 0.15 . 1 . . . . 241 L CA . 18588 1 1105 . 1 1 241 241 LEU CB C 13 39.1 0.15 . 1 . . . . 241 L CB . 18588 1 1106 . 1 1 241 241 LEU N N 15 116.53 0.15 . 1 . . . . 241 L N . 18588 1 1107 . 1 1 242 242 ASP H H 1 6.86 0.02 . 1 . . . . 242 D H . 18588 1 1108 . 1 1 242 242 ASP C C 13 177.4 0.15 . 1 . . . . 242 D C . 18588 1 1109 . 1 1 242 242 ASP CA C 13 52.8 0.15 . 1 . . . . 242 D CA . 18588 1 1110 . 1 1 242 242 ASP CB C 13 42.6 0.15 . 1 . . . . 242 D CB . 18588 1 1111 . 1 1 242 242 ASP N N 15 118.01 0.15 . 1 . . . . 242 D N . 18588 1 1112 . 1 1 243 243 LYS H H 1 9.12 0.02 . 1 . . . . 243 K H . 18588 1 1113 . 1 1 243 243 LYS C C 13 176.3 0.15 . 1 . . . . 243 K C . 18588 1 1114 . 1 1 243 243 LYS CA C 13 57.2 0.15 . 1 . . . . 243 K CA . 18588 1 1115 . 1 1 243 243 LYS CB C 13 30.7 0.15 . 1 . . . . 243 K CB . 18588 1 1116 . 1 1 243 243 LYS N N 15 127.56 0.15 . 1 . . . . 243 K N . 18588 1 1117 . 1 1 244 244 GLU H H 1 8.65 0.02 . 1 . . . . 244 E H . 18588 1 1118 . 1 1 244 244 GLU C C 13 177.3 0.15 . 1 . . . . 244 E C . 18588 1 1119 . 1 1 244 244 GLU CA C 13 57.0 0.15 . 1 . . . . 244 E CA . 18588 1 1120 . 1 1 244 244 GLU CB C 13 28.4 0.15 . 1 . . . . 244 E CB . 18588 1 1121 . 1 1 244 244 GLU N N 15 119.66 0.15 . 1 . . . . 244 E N . 18588 1 1122 . 1 1 245 245 LYS H H 1 7.57 0.02 . 1 . . . . 245 K H . 18588 1 1123 . 1 1 245 245 LYS C C 13 177.1 0.15 . 1 . . . . 245 K C . 18588 1 1124 . 1 1 245 245 LYS CA C 13 57.0 0.15 . 1 . . . . 245 K CA . 18588 1 1125 . 1 1 245 245 LYS CB C 13 32.9 0.15 . 1 . . . . 245 K CB . 18588 1 1126 . 1 1 245 245 LYS N N 15 118.61 0.15 . 1 . . . . 245 K N . 18588 1 1127 . 1 1 246 246 THR H H 1 8.09 0.02 . 1 . . . . 246 T H . 18588 1 1128 . 1 1 246 246 THR C C 13 173.4 0.15 . 1 . . . . 246 T C . 18588 1 1129 . 1 1 246 246 THR CA C 13 62.0 0.15 . 1 . . . . 246 T CA . 18588 1 1130 . 1 1 246 246 THR CB C 13 70.7 0.15 . 1 . . . . 246 T CB . 18588 1 1131 . 1 1 246 246 THR N N 15 118.41 0.15 . 1 . . . . 246 T N . 18588 1 1132 . 1 1 247 247 SER H H 1 8.91 0.02 . 1 . . . . 247 S H . 18588 1 1133 . 1 1 247 247 SER CA C 13 57.0 0.15 . 1 . . . . 247 S CA . 18588 1 1134 . 1 1 247 247 SER CB C 13 62.1 0.15 . 1 . . . . 247 S CB . 18588 1 1135 . 1 1 247 247 SER N N 15 124.45 0.15 . 1 . . . . 247 S N . 18588 1 1136 . 1 1 248 248 PRO C C 13 177.4 0.15 . 1 . . . . 248 P C . 18588 1 1137 . 1 1 248 248 PRO CA C 13 65.4 0.15 . 1 . . . . 248 P CA . 18588 1 1138 . 1 1 248 248 PRO CB C 13 30.4 0.15 . 1 . . . . 248 P CB . 18588 1 1139 . 1 1 249 249 TYR H H 1 8.26 0.02 . 1 . . . . 249 Y H . 18588 1 1140 . 1 1 249 249 TYR C C 13 176.1 0.15 . 1 . . . . 249 Y C . 18588 1 1141 . 1 1 249 249 TYR CA C 13 61.2 0.15 . 1 . . . . 249 Y CA . 18588 1 1142 . 1 1 249 249 TYR CB C 13 37.9 0.15 . 1 . . . . 249 Y CB . 18588 1 1143 . 1 1 249 249 TYR N N 15 115.68 0.15 . 1 . . . . 249 Y N . 18588 1 1144 . 1 1 250 250 GLU H H 1 7.73 0.02 . 1 . . . . 250 E H . 18588 1 1145 . 1 1 250 250 GLU C C 13 179.3 0.15 . 1 . . . . 250 E C . 18588 1 1146 . 1 1 250 250 GLU CA C 13 59.0 0.15 . 1 . . . . 250 E CA . 18588 1 1147 . 1 1 250 250 GLU CB C 13 29.0 0.15 . 1 . . . . 250 E CB . 18588 1 1148 . 1 1 250 250 GLU N N 15 121.44 0.15 . 1 . . . . 250 E N . 18588 1 1149 . 1 1 251 251 PHE H H 1 8.84 0.02 . 1 . . . . 251 F H . 18588 1 1150 . 1 1 251 251 PHE C C 13 175.5 0.15 . 1 . . . . 251 F C . 18588 1 1151 . 1 1 251 251 PHE CA C 13 62.0 0.15 . 1 . . . . 251 F CA . 18588 1 1152 . 1 1 251 251 PHE CB C 13 39.5 0.15 . 1 . . . . 251 F CB . 18588 1 1153 . 1 1 251 251 PHE N N 15 122.49 0.15 . 1 . . . . 251 F N . 18588 1 1154 . 1 1 252 252 TYR H H 1 8.83 0.02 . 1 . . . . 252 Y H . 18588 1 1155 . 1 1 252 252 TYR C C 13 177.4 0.15 . 1 . . . . 252 Y C . 18588 1 1156 . 1 1 252 252 TYR CA C 13 62.1 0.15 . 1 . . . . 252 Y CA . 18588 1 1157 . 1 1 252 252 TYR CB C 13 38.7 0.15 . 1 . . . . 252 Y CB . 18588 1 1158 . 1 1 252 252 TYR N N 15 120.79 0.15 . 1 . . . . 252 Y N . 18588 1 1159 . 1 1 253 253 GLN H H 1 8.39 0.02 . 1 . . . . 253 Q H . 18588 1 1160 . 1 1 253 253 GLN C C 13 177.8 0.15 . 1 . . . . 253 Q C . 18588 1 1161 . 1 1 253 253 GLN CA C 13 57.2 0.15 . 1 . . . . 253 Q CA . 18588 1 1162 . 1 1 253 253 GLN CB C 13 28.2 0.15 . 1 . . . . 253 Q CB . 18588 1 1163 . 1 1 253 253 GLN N N 15 117.15 0.15 . 1 . . . . 253 Q N . 18588 1 1164 . 1 1 254 254 PHE H H 1 7.55 0.02 . 1 . . . . 254 F H . 18588 1 1165 . 1 1 254 254 PHE C C 13 177.6 0.15 . 1 . . . . 254 F C . 18588 1 1166 . 1 1 254 254 PHE CA C 13 60.4 0.15 . 1 . . . . 254 F CA . 18588 1 1167 . 1 1 254 254 PHE CB C 13 36.6 0.15 . 1 . . . . 254 F CB . 18588 1 1168 . 1 1 254 254 PHE N N 15 120.48 0.15 . 1 . . . . 254 F N . 18588 1 1169 . 1 1 255 255 TRP H H 1 6.92 0.02 . 1 . . . . 255 W H . 18588 1 1170 . 1 1 255 255 TRP C C 13 180.6 0.15 . 1 . . . . 255 W C . 18588 1 1171 . 1 1 255 255 TRP CA C 13 58.2 0.15 . 1 . . . . 255 W CA . 18588 1 1172 . 1 1 255 255 TRP CB C 13 29.6 0.15 . 1 . . . . 255 W CB . 18588 1 1173 . 1 1 255 255 TRP N N 15 117.90 0.15 . 1 . . . . 255 W N . 18588 1 1174 . 1 1 256 256 ILE H H 1 8.20 0.02 . 1 . . . . 256 I H . 18588 1 1175 . 1 1 256 256 ILE C C 13 176.0 0.15 . 1 . . . . 256 I C . 18588 1 1176 . 1 1 256 256 ILE CA C 13 61.9 0.15 . 1 . . . . 256 I CA . 18588 1 1177 . 1 1 256 256 ILE CB C 13 35.4 0.15 . 1 . . . . 256 I CB . 18588 1 1178 . 1 1 256 256 ILE N N 15 123.22 0.15 . 1 . . . . 256 I N . 18588 1 1179 . 1 1 257 257 ASN H H 1 6.89 0.02 . 1 . . . . 257 N H . 18588 1 1180 . 1 1 257 257 ASN C C 13 174.3 0.15 . 1 . . . . 257 N C . 18588 1 1181 . 1 1 257 257 ASN CA C 13 52.9 0.15 . 1 . . . . 257 N CA . 18588 1 1182 . 1 1 257 257 ASN CB C 13 38.3 0.15 . 1 . . . . 257 N CB . 18588 1 1183 . 1 1 257 257 ASN N N 15 117.67 0.15 . 1 . . . . 257 N N . 18588 1 1184 . 1 1 258 258 THR H H 1 7.07 0.02 . 1 . . . . 258 T H . 18588 1 1185 . 1 1 258 258 THR C C 13 173.3 0.15 . 1 . . . . 258 T C . 18588 1 1186 . 1 1 258 258 THR CA C 13 64.4 0.15 . 1 . . . . 258 T CA . 18588 1 1187 . 1 1 258 258 THR CB C 13 69.4 0.15 . 1 . . . . 258 T CB . 18588 1 1188 . 1 1 258 258 THR N N 15 118.40 0.15 . 1 . . . . 258 T N . 18588 1 1189 . 1 1 259 259 ASP H H 1 8.96 0.02 . 1 . . . . 259 D H . 18588 1 1190 . 1 1 259 259 ASP C C 13 177.8 0.15 . 1 . . . . 259 D C . 18588 1 1191 . 1 1 259 259 ASP CA C 13 54.3 0.15 . 1 . . . . 259 D CA . 18588 1 1192 . 1 1 259 259 ASP CB C 13 42.8 0.15 . 1 . . . . 259 D CB . 18588 1 1193 . 1 1 259 259 ASP N N 15 130.31 0.15 . 1 . . . . 259 D N . 18588 1 1194 . 1 1 260 260 ASP H H 1 8.81 0.02 . 1 . . . . 260 D H . 18588 1 1195 . 1 1 260 260 ASP C C 13 177.8 0.15 . 1 . . . . 260 D C . 18588 1 1196 . 1 1 260 260 ASP CA C 13 57.5 0.15 . 1 . . . . 260 D CA . 18588 1 1197 . 1 1 260 260 ASP CB C 13 40.3 0.15 . 1 . . . . 260 D CB . 18588 1 1198 . 1 1 260 260 ASP N N 15 129.12 0.15 . 1 . . . . 260 D N . 18588 1 1199 . 1 1 261 261 ARG H H 1 9.48 0.02 . 1 . . . . 261 R H . 18588 1 1200 . 1 1 261 261 ARG C C 13 177.1 0.15 . 1 . . . . 261 R C . 18588 1 1201 . 1 1 261 261 ARG CA C 13 57.6 0.15 . 1 . . . . 261 R CA . 18588 1 1202 . 1 1 261 261 ARG CB C 13 29.8 0.15 . 1 . . . . 261 R CB . 18588 1 1203 . 1 1 261 261 ARG N N 15 116.97 0.15 . 1 . . . . 261 R N . 18588 1 1204 . 1 1 262 262 ASP H H 1 7.53 0.02 . 1 . . . . 262 D H . 18588 1 1205 . 1 1 262 262 ASP C C 13 176.7 0.15 . 1 . . . . 262 D C . 18588 1 1206 . 1 1 262 262 ASP CA C 13 54.6 0.15 . 1 . . . . 262 D CA . 18588 1 1207 . 1 1 262 262 ASP CB C 13 43.2 0.15 . 1 . . . . 262 D CB . 18588 1 1208 . 1 1 262 262 ASP N N 15 116.65 0.15 . 1 . . . . 262 D N . 18588 1 1209 . 1 1 263 263 VAL H H 1 6.92 0.02 . 1 . . . . 263 V H . 18588 1 1210 . 1 1 263 263 VAL C C 13 174.6 0.15 . 1 . . . . 263 V C . 18588 1 1211 . 1 1 263 263 VAL CA C 13 66.2 0.15 . 1 . . . . 263 V CA . 18588 1 1212 . 1 1 263 263 VAL CB C 13 31.1 0.15 . 1 . . . . 263 V CB . 18588 1 1213 . 1 1 263 263 VAL N N 15 118.51 0.15 . 1 . . . . 263 V N . 18588 1 1214 . 1 1 264 264 ILE H H 1 7.92 0.02 . 1 . . . . 264 I H . 18588 1 1215 . 1 1 264 264 ILE C C 13 177.8 0.15 . 1 . . . . 264 I C . 18588 1 1216 . 1 1 264 264 ILE CA C 13 61.9 0.15 . 1 . . . . 264 I CA . 18588 1 1217 . 1 1 264 264 ILE CB C 13 32.5 0.15 . 1 . . . . 264 I CB . 18588 1 1218 . 1 1 264 264 ILE N N 15 122.20 0.15 . 1 . . . . 264 I N . 18588 1 1219 . 1 1 265 265 ARG H H 1 7.65 0.02 . 1 . . . . 265 R H . 18588 1 1220 . 1 1 265 265 ARG C C 13 178.0 0.15 . 1 . . . . 265 R C . 18588 1 1221 . 1 1 265 265 ARG CA C 13 58.7 0.15 . 1 . . . . 265 R CA . 18588 1 1222 . 1 1 265 265 ARG CB C 13 28.4 0.15 . 1 . . . . 265 R CB . 18588 1 1223 . 1 1 265 265 ARG N N 15 121.64 0.15 . 1 . . . . 265 R N . 18588 1 1224 . 1 1 266 266 TYR H H 1 8.11 0.02 . 1 . . . . 266 Y H . 18588 1 1225 . 1 1 266 266 TYR C C 13 178.8 0.15 . 1 . . . . 266 Y C . 18588 1 1226 . 1 1 266 266 TYR CA C 13 57.4 0.15 . 1 . . . . 266 Y CA . 18588 1 1227 . 1 1 266 266 TYR CB C 13 35.2 0.15 . 1 . . . . 266 Y CB . 18588 1 1228 . 1 1 266 266 TYR N N 15 117.52 0.15 . 1 . . . . 266 Y N . 18588 1 1229 . 1 1 267 267 LEU H H 1 8.55 0.02 . 1 . . . . 267 L H . 18588 1 1230 . 1 1 267 267 LEU C C 13 180.5 0.15 . 1 . . . . 267 L C . 18588 1 1231 . 1 1 267 267 LEU CA C 13 58.0 0.15 . 1 . . . . 267 L CA . 18588 1 1232 . 1 1 267 267 LEU CB C 13 41.8 0.15 . 1 . . . . 267 L CB . 18588 1 1233 . 1 1 267 267 LEU N N 15 123.26 0.15 . 1 . . . . 267 L N . 18588 1 1234 . 1 1 268 268 LYS H H 1 7.67 0.02 . 1 . . . . 268 K H . 18588 1 1235 . 1 1 268 268 LYS C C 13 178.5 0.15 . 1 . . . . 268 K C . 18588 1 1236 . 1 1 268 268 LYS CA C 13 59.3 0.15 . 1 . . . . 268 K CA . 18588 1 1237 . 1 1 268 268 LYS CB C 13 31.3 0.15 . 1 . . . . 268 K CB . 18588 1 1238 . 1 1 268 268 LYS N N 15 120.01 0.15 . 1 . . . . 268 K N . 18588 1 1239 . 1 1 269 269 TYR H H 1 8.12 0.02 . 1 . . . . 269 Y H . 18588 1 1240 . 1 1 269 269 TYR C C 13 180.6 0.15 . 1 . . . . 269 Y C . 18588 1 1241 . 1 1 269 269 TYR CA C 13 57.5 0.15 . 1 . . . . 269 Y CA . 18588 1 1242 . 1 1 269 269 TYR CB C 13 36.8 0.15 . 1 . . . . 269 Y CB . 18588 1 1243 . 1 1 269 269 TYR N N 15 115.45 0.15 . 1 . . . . 269 Y N . 18588 1 1244 . 1 1 270 270 PHE H H 1 8.24 0.02 . 1 . . . . 270 F H . 18588 1 1245 . 1 1 270 270 PHE C C 13 172.8 0.15 . 1 . . . . 270 F C . 18588 1 1246 . 1 1 270 270 PHE CA C 13 57.7 0.15 . 1 . . . . 270 F CA . 18588 1 1247 . 1 1 270 270 PHE CB C 13 39.9 0.15 . 1 . . . . 270 F CB . 18588 1 1248 . 1 1 270 270 PHE N N 15 112.30 0.15 . 1 . . . . 270 F N . 18588 1 1249 . 1 1 271 271 THR H H 1 6.84 0.02 . 1 . . . . 271 T H . 18588 1 1250 . 1 1 271 271 THR C C 13 175.7 0.15 . 1 . . . . 271 T C . 18588 1 1251 . 1 1 271 271 THR CA C 13 59.6 0.15 . 1 . . . . 271 T CA . 18588 1 1252 . 1 1 271 271 THR CB C 13 71.3 0.15 . 1 . . . . 271 T CB . 18588 1 1253 . 1 1 271 271 THR N N 15 101.63 0.15 . 1 . . . . 271 T N . 18588 1 1254 . 1 1 272 272 PHE H H 1 9.80 0.02 . 1 . . . . 272 F H . 18588 1 1255 . 1 1 272 272 PHE C C 13 175.0 0.15 . 1 . . . . 272 F C . 18588 1 1256 . 1 1 272 272 PHE CA C 13 57.2 0.15 . 1 . . . . 272 F CA . 18588 1 1257 . 1 1 272 272 PHE CB C 13 36.2 0.15 . 1 . . . . 272 F CB . 18588 1 1258 . 1 1 272 272 PHE N N 15 121.98 0.15 . 1 . . . . 272 F N . 18588 1 1259 . 1 1 273 273 LEU H H 1 7.10 0.02 . 1 . . . . 273 L H . 18588 1 1260 . 1 1 273 273 LEU C C 13 176.2 0.15 . 1 . . . . 273 L C . 18588 1 1261 . 1 1 273 273 LEU CA C 13 55.3 0.15 . 1 . . . . 273 L CA . 18588 1 1262 . 1 1 273 273 LEU CB C 13 42.2 0.15 . 1 . . . . 273 L CB . 18588 1 1263 . 1 1 273 273 LEU N N 15 122.00 0.15 . 1 . . . . 273 L N . 18588 1 1264 . 1 1 274 274 SER H H 1 8.84 0.02 . 1 . . . . 274 S H . 18588 1 1265 . 1 1 274 274 SER C C 13 174.7 0.15 . 1 . . . . 274 S C . 18588 1 1266 . 1 1 274 274 SER CA C 13 57.0 0.15 . 1 . . . . 274 S CA . 18588 1 1267 . 1 1 274 274 SER CB C 13 65.4 0.15 . 1 . . . . 274 S CB . 18588 1 1268 . 1 1 274 274 SER N N 15 116.99 0.15 . 1 . . . . 274 S N . 18588 1 1269 . 1 1 275 275 LYS H H 1 8.39 0.02 . 1 . . . . 275 K H . 18588 1 1270 . 1 1 275 275 LYS C C 13 178.1 0.15 . 1 . . . . 275 K C . 18588 1 1271 . 1 1 275 275 LYS CA C 13 59.5 0.15 . 1 . . . . 275 K CA . 18588 1 1272 . 1 1 275 275 LYS CB C 13 31.3 0.15 . 1 . . . . 275 K CB . 18588 1 1273 . 1 1 275 275 LYS N N 15 121.97 0.15 . 1 . . . . 275 K N . 18588 1 1274 . 1 1 276 276 GLU H H 1 8.55 0.02 . 1 . . . . 276 E H . 18588 1 1275 . 1 1 276 276 GLU C C 13 180.2 0.15 . 1 . . . . 276 E C . 18588 1 1276 . 1 1 276 276 GLU CA C 13 59.9 0.15 . 1 . . . . 276 E CA . 18588 1 1277 . 1 1 276 276 GLU CB C 13 27.8 0.15 . 1 . . . . 276 E CB . 18588 1 1278 . 1 1 276 276 GLU N N 15 117.17 0.15 . 1 . . . . 276 E N . 18588 1 1279 . 1 1 277 277 GLU H H 1 7.69 0.02 . 1 . . . . 277 E H . 18588 1 1280 . 1 1 277 277 GLU C C 13 179.9 0.15 . 1 . . . . 277 E C . 18588 1 1281 . 1 1 277 277 GLU CA C 13 58.9 0.15 . 1 . . . . 277 E CA . 18588 1 1282 . 1 1 277 277 GLU CB C 13 29.6 0.15 . 1 . . . . 277 E CB . 18588 1 1283 . 1 1 277 277 GLU N N 15 121.62 0.15 . 1 . . . . 277 E N . 18588 1 1284 . 1 1 278 278 ILE H H 1 8.29 0.02 . 1 . . . . 278 I H . 18588 1 1285 . 1 1 278 278 ILE C C 13 177.9 0.15 . 1 . . . . 278 I C . 18588 1 1286 . 1 1 278 278 ILE CA C 13 66.0 0.15 . 1 . . . . 278 I CA . 18588 1 1287 . 1 1 278 278 ILE CB C 13 36.6 0.15 . 1 . . . . 278 I CB . 18588 1 1288 . 1 1 278 278 ILE N N 15 121.85 0.15 . 1 . . . . 278 I N . 18588 1 1289 . 1 1 279 279 GLU H H 1 8.71 0.02 . 1 . . . . 279 E H . 18588 1 1290 . 1 1 279 279 GLU C C 13 180.0 0.15 . 1 . . . . 279 E C . 18588 1 1291 . 1 1 279 279 GLU CA C 13 59.4 0.15 . 1 . . . . 279 E CA . 18588 1 1292 . 1 1 279 279 GLU CB C 13 28.0 0.15 . 1 . . . . 279 E CB . 18588 1 1293 . 1 1 279 279 GLU N N 15 121.01 0.15 . 1 . . . . 279 E N . 18588 1 1294 . 1 1 280 280 ALA H H 1 7.71 0.02 . 1 . . . . 280 A H . 18588 1 1295 . 1 1 280 280 ALA C C 13 181.2 0.15 . 1 . . . . 280 A C . 18588 1 1296 . 1 1 280 280 ALA CA C 13 54.7 0.15 . 1 . . . . 280 A CA . 18588 1 1297 . 1 1 280 280 ALA CB C 13 16.9 0.15 . 1 . . . . 280 A CB . 18588 1 1298 . 1 1 280 280 ALA N N 15 122.95 0.15 . 1 . . . . 280 A N . 18588 1 1299 . 1 1 281 281 LEU H H 1 7.46 0.02 . 1 . . . . 281 L H . 18588 1 1300 . 1 1 281 281 LEU C C 13 178.9 0.15 . 1 . . . . 281 L C . 18588 1 1301 . 1 1 281 281 LEU CA C 13 57.4 0.15 . 1 . . . . 281 L CA . 18588 1 1302 . 1 1 281 281 LEU CB C 13 41.1 0.15 . 1 . . . . 281 L CB . 18588 1 1303 . 1 1 281 281 LEU N N 15 121.18 0.15 . 1 . . . . 281 L N . 18588 1 1304 . 1 1 282 282 GLU H H 1 8.46 0.02 . 1 . . . . 282 E H . 18588 1 1305 . 1 1 282 282 GLU C C 13 178.4 0.15 . 1 . . . . 282 E C . 18588 1 1306 . 1 1 282 282 GLU CA C 13 59.6 0.15 . 1 . . . . 282 E CA . 18588 1 1307 . 1 1 282 282 GLU CB C 13 28.8 0.15 . 1 . . . . 282 E CB . 18588 1 1308 . 1 1 282 282 GLU N N 15 122.82 0.15 . 1 . . . . 282 E N . 18588 1 1309 . 1 1 283 283 GLN H H 1 7.71 0.02 . 1 . . . . 283 Q H . 18588 1 1310 . 1 1 283 283 GLN C C 13 178.3 0.15 . 1 . . . . 283 Q C . 18588 1 1311 . 1 1 283 283 GLN CA C 13 58.4 0.15 . 1 . . . . 283 Q CA . 18588 1 1312 . 1 1 283 283 GLN CB C 13 26.8 0.15 . 1 . . . . 283 Q CB . 18588 1 1313 . 1 1 283 283 GLN N N 15 119.92 0.15 . 1 . . . . 283 Q N . 18588 1 1314 . 1 1 284 284 GLU H H 1 7.75 0.02 . 1 . . . . 284 E H . 18588 1 1315 . 1 1 284 284 GLU C C 13 178.0 0.15 . 1 . . . . 284 E C . 18588 1 1316 . 1 1 284 284 GLU CA C 13 59.2 0.15 . 1 . . . . 284 E CA . 18588 1 1317 . 1 1 284 284 GLU CB C 13 28.4 0.15 . 1 . . . . 284 E CB . 18588 1 1318 . 1 1 284 284 GLU N N 15 120.90 0.15 . 1 . . . . 284 E N . 18588 1 1319 . 1 1 285 285 LEU H H 1 7.92 0.02 . 1 . . . . 285 L H . 18588 1 1320 . 1 1 285 285 LEU C C 13 178.0 0.15 . 1 . . . . 285 L C . 18588 1 1321 . 1 1 285 285 LEU CA C 13 57.8 0.15 . 1 . . . . 285 L CA . 18588 1 1322 . 1 1 285 285 LEU CB C 13 41.1 0.15 . 1 . . . . 285 L CB . 18588 1 1323 . 1 1 285 285 LEU N N 15 121.58 0.15 . 1 . . . . 285 L N . 18588 1 1324 . 1 1 286 286 ARG H H 1 7.28 0.02 . 1 . . . . 286 R H . 18588 1 1325 . 1 1 286 286 ARG C C 13 178.0 0.15 . 1 . . . . 286 R C . 18588 1 1326 . 1 1 286 286 ARG CA C 13 58.0 0.15 . 1 . . . . 286 R CA . 18588 1 1327 . 1 1 286 286 ARG CB C 13 29.6 0.15 . 1 . . . . 286 R CB . 18588 1 1328 . 1 1 286 286 ARG N N 15 115.96 0.15 . 1 . . . . 286 R N . 18588 1 1329 . 1 1 287 287 GLU H H 1 7.87 0.02 . 1 . . . . 287 E H . 18588 1 1330 . 1 1 287 287 GLU C C 13 177.1 0.15 . 1 . . . . 287 E C . 18588 1 1331 . 1 1 287 287 GLU CA C 13 57.4 0.15 . 1 . . . . 287 E CA . 18588 1 1332 . 1 1 287 287 GLU CB C 13 30.0 0.15 . 1 . . . . 287 E CB . 18588 1 1333 . 1 1 287 287 GLU N N 15 117.30 0.15 . 1 . . . . 287 E N . 18588 1 1334 . 1 1 288 288 ALA H H 1 8.65 0.02 . 1 . . . . 288 A H . 18588 1 1335 . 1 1 288 288 ALA CA C 13 50.0 0.15 . 1 . . . . 288 A CA . 18588 1 1336 . 1 1 288 288 ALA CB C 13 18.0 0.15 . 1 . . . . 288 A CB . 18588 1 1337 . 1 1 288 288 ALA N N 15 123.28 0.15 . 1 . . . . 288 A N . 18588 1 1338 . 1 1 289 289 PRO C C 13 179.8 0.15 . 1 . . . . 289 P C . 18588 1 1339 . 1 1 289 289 PRO CA C 13 65.2 0.15 . 1 . . . . 289 P CA . 18588 1 1340 . 1 1 289 289 PRO CB C 13 30.2 0.15 . 1 . . . . 289 P CB . 18588 1 1341 . 1 1 290 290 GLU H H 1 9.64 0.02 . 1 . . . . 290 E H . 18588 1 1342 . 1 1 290 290 GLU C C 13 177.8 0.15 . 1 . . . . 290 E C . 18588 1 1343 . 1 1 290 290 GLU CA C 13 57.9 0.15 . 1 . . . . 290 E CA . 18588 1 1344 . 1 1 290 290 GLU CB C 13 27.2 0.15 . 1 . . . . 290 E CB . 18588 1 1345 . 1 1 290 290 GLU N N 15 119.37 0.15 . 1 . . . . 290 E N . 18588 1 1346 . 1 1 291 291 LYS H H 1 7.57 0.02 . 1 . . . . 291 K H . 18588 1 1347 . 1 1 291 291 LYS C C 13 177.5 0.15 . 1 . . . . 291 K C . 18588 1 1348 . 1 1 291 291 LYS CA C 13 57.7 0.15 . 1 . . . . 291 K CA . 18588 1 1349 . 1 1 291 291 LYS CB C 13 31.5 0.15 . 1 . . . . 291 K CB . 18588 1 1350 . 1 1 291 291 LYS N N 15 119.89 0.15 . 1 . . . . 291 K N . 18588 1 1351 . 1 1 292 292 ARG H H 1 7.69 0.02 . 1 . . . . 292 R H . 18588 1 1352 . 1 1 292 292 ARG C C 13 175.8 0.15 . 1 . . . . 292 R C . 18588 1 1353 . 1 1 292 292 ARG CA C 13 56.1 0.15 . 1 . . . . 292 R CA . 18588 1 1354 . 1 1 292 292 ARG CB C 13 26.1 0.15 . 1 . . . . 292 R CB . 18588 1 1355 . 1 1 292 292 ARG N N 15 113.51 0.15 . 1 . . . . 292 R N . 18588 1 1356 . 1 1 293 293 ALA H H 1 7.99 0.02 . 1 . . . . 293 A H . 18588 1 1357 . 1 1 293 293 ALA C C 13 181.5 0.15 . 1 . . . . 293 A C . 18588 1 1358 . 1 1 293 293 ALA CA C 13 55.1 0.15 . 1 . . . . 293 A CA . 18588 1 1359 . 1 1 293 293 ALA CB C 13 17.8 0.15 . 1 . . . . 293 A CB . 18588 1 1360 . 1 1 293 293 ALA N N 15 121.47 0.15 . 1 . . . . 293 A N . 18588 1 1361 . 1 1 294 294 ALA H H 1 9.17 0.02 . 1 . . . . 294 A H . 18588 1 1362 . 1 1 294 294 ALA C C 13 177.9 0.15 . 1 . . . . 294 A C . 18588 1 1363 . 1 1 294 294 ALA CA C 13 55.1 0.15 . 1 . . . . 294 A CA . 18588 1 1364 . 1 1 294 294 ALA CB C 13 17.4 0.15 . 1 . . . . 294 A CB . 18588 1 1365 . 1 1 294 294 ALA N N 15 121.82 0.15 . 1 . . . . 294 A N . 18588 1 1366 . 1 1 295 295 GLN H H 1 8.54 0.02 . 1 . . . . 295 Q H . 18588 1 1367 . 1 1 295 295 GLN C C 13 177.9 0.15 . 1 . . . . 295 Q C . 18588 1 1368 . 1 1 295 295 GLN CA C 13 61.8 0.15 . 1 . . . . 295 Q CA . 18588 1 1369 . 1 1 295 295 GLN CB C 13 26.1 0.15 . 1 . . . . 295 Q CB . 18588 1 1370 . 1 1 295 295 GLN N N 15 119.92 0.15 . 1 . . . . 295 Q N . 18588 1 1371 . 1 1 296 296 LYS H H 1 7.96 0.02 . 1 . . . . 296 K H . 18588 1 1372 . 1 1 296 296 LYS C C 13 178.7 0.15 . 1 . . . . 296 K C . 18588 1 1373 . 1 1 296 296 LYS CA C 13 59.9 0.15 . 1 . . . . 296 K CA . 18588 1 1374 . 1 1 296 296 LYS CB C 13 31.5 0.15 . 1 . . . . 296 K CB . 18588 1 1375 . 1 1 296 296 LYS N N 15 119.97 0.15 . 1 . . . . 296 K N . 18588 1 1376 . 1 1 297 297 THR H H 1 7.98 0.02 . 1 . . . . 297 T H . 18588 1 1377 . 1 1 297 297 THR C C 13 175.7 0.15 . 1 . . . . 297 T C . 18588 1 1378 . 1 1 297 297 THR CA C 13 66.8 0.15 . 1 . . . . 297 T CA . 18588 1 1379 . 1 1 297 297 THR CB C 13 68.2 0.15 . 1 . . . . 297 T CB . 18588 1 1380 . 1 1 297 297 THR N N 15 116.59 0.15 . 1 . . . . 297 T N . 18588 1 1381 . 1 1 298 298 LEU H H 1 8.23 0.02 . 1 . . . . 298 L H . 18588 1 1382 . 1 1 298 298 LEU C C 13 176.7 0.15 . 1 . . . . 298 L C . 18588 1 1383 . 1 1 298 298 LEU CA C 13 58.2 0.15 . 1 . . . . 298 L CA . 18588 1 1384 . 1 1 298 298 LEU CB C 13 40.9 0.15 . 1 . . . . 298 L CB . 18588 1 1385 . 1 1 298 298 LEU N N 15 122.33 0.15 . 1 . . . . 298 L N . 18588 1 1386 . 1 1 299 299 ALA H H 1 8.32 0.02 . 1 . . . . 299 A H . 18588 1 1387 . 1 1 299 299 ALA C C 13 181.3 0.15 . 1 . . . . 299 A C . 18588 1 1388 . 1 1 299 299 ALA CA C 13 54.7 0.15 . 1 . . . . 299 A CA . 18588 1 1389 . 1 1 299 299 ALA CB C 13 19.2 0.15 . 1 . . . . 299 A CB . 18588 1 1390 . 1 1 299 299 ALA N N 15 118.63 0.15 . 1 . . . . 299 A N . 18588 1 1391 . 1 1 300 300 GLU H H 1 8.52 0.02 . 1 . . . . 300 E H . 18588 1 1392 . 1 1 300 300 GLU C C 13 178.5 0.15 . 1 . . . . 300 E C . 18588 1 1393 . 1 1 300 300 GLU CA C 13 59.5 0.15 . 1 . . . . 300 E CA . 18588 1 1394 . 1 1 300 300 GLU CB C 13 28.8 0.15 . 1 . . . . 300 E CB . 18588 1 1395 . 1 1 300 300 GLU N N 15 119.83 0.15 . 1 . . . . 300 E N . 18588 1 1396 . 1 1 301 301 GLU H H 1 8.71 0.02 . 1 . . . . 301 E H . 18588 1 1397 . 1 1 301 301 GLU C C 13 180.5 0.15 . 1 . . . . 301 E C . 18588 1 1398 . 1 1 301 301 GLU CA C 13 58.8 0.15 . 1 . . . . 301 E CA . 18588 1 1399 . 1 1 301 301 GLU CB C 13 28.8 0.15 . 1 . . . . 301 E CB . 18588 1 1400 . 1 1 301 301 GLU N N 15 117.08 0.15 . 1 . . . . 301 E N . 18588 1 1401 . 1 1 302 302 VAL H H 1 8.47 0.02 . 1 . . . . 302 V H . 18588 1 1402 . 1 1 302 302 VAL C C 13 178.5 0.15 . 1 . . . . 302 V C . 18588 1 1403 . 1 1 302 302 VAL CA C 13 66.0 0.15 . 1 . . . . 302 V CA . 18588 1 1404 . 1 1 302 302 VAL CB C 13 30.4 0.15 . 1 . . . . 302 V CB . 18588 1 1405 . 1 1 302 302 VAL N N 15 118.02 0.15 . 1 . . . . 302 V N . 18588 1 1406 . 1 1 303 303 THR H H 1 7.86 0.02 . 1 . . . . 303 T H . 18588 1 1407 . 1 1 303 303 THR C C 13 176.7 0.15 . 1 . . . . 303 T C . 18588 1 1408 . 1 1 303 303 THR CA C 13 68.9 0.15 . 1 . . . . 303 T CA . 18588 1 1409 . 1 1 303 303 THR CB C 13 66.8 0.15 . 1 . . . . 303 T CB . 18588 1 1410 . 1 1 303 303 THR N N 15 117.44 0.15 . 1 . . . . 303 T N . 18588 1 1411 . 1 1 304 304 LYS H H 1 8.37 0.02 . 1 . . . . 304 K H . 18588 1 1412 . 1 1 304 304 LYS C C 13 178.8 0.15 . 1 . . . . 304 K C . 18588 1 1413 . 1 1 304 304 LYS CA C 13 60.1 0.15 . 1 . . . . 304 K CA . 18588 1 1414 . 1 1 304 304 LYS CB C 13 31.3 0.15 . 1 . . . . 304 K CB . 18588 1 1415 . 1 1 304 304 LYS N N 15 121.94 0.15 . 1 . . . . 304 K N . 18588 1 1416 . 1 1 305 305 LEU H H 1 7.59 0.02 . 1 . . . . 305 L H . 18588 1 1417 . 1 1 305 305 LEU C C 13 177.7 0.15 . 1 . . . . 305 L C . 18588 1 1418 . 1 1 305 305 LEU CA C 13 57.8 0.15 . 1 . . . . 305 L CA . 18588 1 1419 . 1 1 305 305 LEU CB C 13 42.2 0.15 . 1 . . . . 305 L CB . 18588 1 1420 . 1 1 305 305 LEU N N 15 119.89 0.15 . 1 . . . . 305 L N . 18588 1 1421 . 1 1 306 306 VAL H H 1 7.84 0.02 . 1 . . . . 306 V H . 18588 1 1422 . 1 1 306 306 VAL C C 13 175.8 0.15 . 1 . . . . 306 V C . 18588 1 1423 . 1 1 306 306 VAL CA C 13 65.4 0.15 . 1 . . . . 306 V CA . 18588 1 1424 . 1 1 306 306 VAL CB C 13 32.5 0.15 . 1 . . . . 306 V CB . 18588 1 1425 . 1 1 306 306 VAL N N 15 115.86 0.15 . 1 . . . . 306 V N . 18588 1 1426 . 1 1 307 307 HIS H H 1 8.38 0.02 . 1 . . . . 307 H H . 18588 1 1427 . 1 1 307 307 HIS C C 13 176.7 0.15 . 1 . . . . 307 H C . 18588 1 1428 . 1 1 307 307 HIS CA C 13 55.7 0.15 . 1 . . . . 307 H CA . 18588 1 1429 . 1 1 307 307 HIS CB C 13 33.7 0.15 . 1 . . . . 307 H CB . 18588 1 1430 . 1 1 307 307 HIS N N 15 113.89 0.15 . 1 . . . . 307 H N . 18588 1 1431 . 1 1 308 308 GLY H H 1 7.79 0.02 . 1 . . . . 308 G H . 18588 1 1432 . 1 1 308 308 GLY C C 13 173.6 0.15 . 1 . . . . 308 G C . 18588 1 1433 . 1 1 308 308 GLY CA C 13 44.0 0.15 . 1 . . . . 308 G CA . 18588 1 1434 . 1 1 308 308 GLY N N 15 111.39 0.15 . 1 . . . . 308 G N . 18588 1 1435 . 1 1 309 309 GLU H H 1 8.61 0.02 . 1 . . . . 309 E H . 18588 1 1436 . 1 1 309 309 GLU C C 13 178.3 0.15 . 1 . . . . 309 E C . 18588 1 1437 . 1 1 309 309 GLU CA C 13 59.9 0.15 . 1 . . . . 309 E CA . 18588 1 1438 . 1 1 309 309 GLU CB C 13 29.2 0.15 . 1 . . . . 309 E CB . 18588 1 1439 . 1 1 309 309 GLU N N 15 119.37 0.15 . 1 . . . . 309 E N . 18588 1 1440 . 1 1 310 310 GLU H H 1 8.55 0.02 . 1 . . . . 310 E H . 18588 1 1441 . 1 1 310 310 GLU C C 13 179.0 0.15 . 1 . . . . 310 E C . 18588 1 1442 . 1 1 310 310 GLU CA C 13 59.3 0.15 . 1 . . . . 310 E CA . 18588 1 1443 . 1 1 310 310 GLU CB C 13 27.6 0.15 . 1 . . . . 310 E CB . 18588 1 1444 . 1 1 310 310 GLU N N 15 121.26 0.15 . 1 . . . . 310 E N . 18588 1 1445 . 1 1 311 311 ALA H H 1 8.19 0.02 . 1 . . . . 311 A H . 18588 1 1446 . 1 1 311 311 ALA C C 13 180.3 0.15 . 1 . . . . 311 A C . 18588 1 1447 . 1 1 311 311 ALA CA C 13 53.9 0.15 . 1 . . . . 311 A CA . 18588 1 1448 . 1 1 311 311 ALA CB C 13 18.4 0.15 . 1 . . . . 311 A CB . 18588 1 1449 . 1 1 311 311 ALA N N 15 122.73 0.15 . 1 . . . . 311 A N . 18588 1 1450 . 1 1 312 312 LEU H H 1 7.61 0.02 . 1 . . . . 312 L H . 18588 1 1451 . 1 1 312 312 LEU C C 13 177.3 0.15 . 1 . . . . 312 L C . 18588 1 1452 . 1 1 312 312 LEU CA C 13 57.8 0.15 . 1 . . . . 312 L CA . 18588 1 1453 . 1 1 312 312 LEU CB C 13 39.9 0.15 . 1 . . . . 312 L CB . 18588 1 1454 . 1 1 312 312 LEU N N 15 118.59 0.15 . 1 . . . . 312 L N . 18588 1 1455 . 1 1 313 313 ARG H H 1 8.08 0.02 . 1 . . . . 313 R H . 18588 1 1456 . 1 1 313 313 ARG C C 13 179.8 0.15 . 1 . . . . 313 R C . 18588 1 1457 . 1 1 313 313 ARG CA C 13 59.5 0.15 . 1 . . . . 313 R CA . 18588 1 1458 . 1 1 313 313 ARG CB C 13 28.6 0.15 . 1 . . . . 313 R CB . 18588 1 1459 . 1 1 313 313 ARG N N 15 118.19 0.15 . 1 . . . . 313 R N . 18588 1 1460 . 1 1 314 314 GLN H H 1 7.84 0.02 . 1 . . . . 314 Q H . 18588 1 1461 . 1 1 314 314 GLN C C 13 177.3 0.15 . 1 . . . . 314 Q C . 18588 1 1462 . 1 1 314 314 GLN CA C 13 58.2 0.15 . 1 . . . . 314 Q CA . 18588 1 1463 . 1 1 314 314 GLN CB C 13 27.4 0.15 . 1 . . . . 314 Q CB . 18588 1 1464 . 1 1 314 314 GLN N N 15 119.11 0.15 . 1 . . . . 314 Q N . 18588 1 1465 . 1 1 315 315 ALA H H 1 8.16 0.02 . 1 . . . . 315 A H . 18588 1 1466 . 1 1 315 315 ALA C C 13 179.8 0.15 . 1 . . . . 315 A C . 18588 1 1467 . 1 1 315 315 ALA CA C 13 55.0 0.15 . 1 . . . . 315 A CA . 18588 1 1468 . 1 1 315 315 ALA CB C 13 16.7 0.15 . 1 . . . . 315 A CB . 18588 1 1469 . 1 1 315 315 ALA N N 15 122.79 0.15 . 1 . . . . 315 A N . 18588 1 1470 . 1 1 316 316 ILE H H 1 8.18 0.02 . 1 . . . . 316 I H . 18588 1 1471 . 1 1 316 316 ILE C C 13 178.3 0.15 . 1 . . . . 316 I C . 18588 1 1472 . 1 1 316 316 ILE CA C 13 64.6 0.15 . 1 . . . . 316 I CA . 18588 1 1473 . 1 1 316 316 ILE CB C 13 37.2 0.15 . 1 . . . . 316 I CB . 18588 1 1474 . 1 1 316 316 ILE N N 15 119.04 0.15 . 1 . . . . 316 I N . 18588 1 1475 . 1 1 317 317 ARG H H 1 7.62 0.02 . 1 . . . . 317 R H . 18588 1 1476 . 1 1 317 317 ARG C C 13 179.2 0.15 . 1 . . . . 317 R C . 18588 1 1477 . 1 1 317 317 ARG CA C 13 59.2 0.15 . 1 . . . . 317 R CA . 18588 1 1478 . 1 1 317 317 ARG CB C 13 28.6 0.15 . 1 . . . . 317 R CB . 18588 1 1479 . 1 1 317 317 ARG N N 15 120.99 0.15 . 1 . . . . 317 R N . 18588 1 1480 . 1 1 318 318 ILE H H 1 8.10 0.02 . 1 . . . . 318 I H . 18588 1 1481 . 1 1 318 318 ILE C C 13 178.6 0.15 . 1 . . . . 318 I C . 18588 1 1482 . 1 1 318 318 ILE CA C 13 64.0 0.15 . 1 . . . . 318 I CA . 18588 1 1483 . 1 1 318 318 ILE CB C 13 37.0 0.15 . 1 . . . . 318 I CB . 18588 1 1484 . 1 1 318 318 ILE N N 15 120.05 0.15 . 1 . . . . 318 I N . 18588 1 1485 . 1 1 319 319 SER H H 1 8.01 0.02 . 1 . . . . 319 S H . 18588 1 1486 . 1 1 319 319 SER C C 13 176.1 0.15 . 1 . . . . 319 S C . 18588 1 1487 . 1 1 319 319 SER CA C 13 61.3 0.15 . 1 . . . . 319 S CA . 18588 1 1488 . 1 1 319 319 SER CB C 13 62.3 0.15 . 1 . . . . 319 S CB . 18588 1 1489 . 1 1 319 319 SER N N 15 117.09 0.15 . 1 . . . . 319 S N . 18588 1 1490 . 1 1 320 320 LEU H H 1 7.84 0.02 . 1 . . . . 320 L H . 18588 1 1491 . 1 1 320 320 LEU C C 13 178.9 0.15 . 1 . . . . 320 L C . 18588 1 1492 . 1 1 320 320 LEU CA C 13 56.3 0.15 . 1 . . . . 320 L CA . 18588 1 1493 . 1 1 320 320 LEU CB C 13 41.1 0.15 . 1 . . . . 320 L CB . 18588 1 1494 . 1 1 320 320 LEU N N 15 122.23 0.15 . 1 . . . . 320 L N . 18588 1 1495 . 1 1 321 321 GLU H H 1 7.73 0.02 . 1 . . . . 321 E H . 18588 1 1496 . 1 1 321 321 GLU CA C 13 57.2 0.15 . 1 . . . . 321 E CA . 18588 1 1497 . 1 1 321 321 GLU CB C 13 29.0 0.15 . 1 . . . . 321 E CB . 18588 1 1498 . 1 1 321 321 GLU N N 15 119.72 0.15 . 1 . . . . 321 E N . 18588 1 stop_ save_