data_18103 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18103 _Entry.Title ; Backbone resonance assignments for G protein alpha i3 subunit in the GTP-bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-26 _Entry.Accession_date 2011-11-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yoko Mase . . . 18103 2 Mariko Yokogawa . . . 18103 3 Masanori Osawa . . . 18103 4 Ichio Shimada . . . 18103 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18103 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1004 18103 '15N chemical shifts' 337 18103 '1H chemical shifts' 337 18103 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-14 2011-11-26 update BMRB 'update entry citation' 18103 1 . . 2012-02-01 2011-11-26 original author 'original release' 18103 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2IHB 'Crystal structure of the heterodimeric complex of human RGS10 and activated Gi alpha 3' 18103 PDB 2V4Z 'THE CRYSTAL STRUCTURE OF THE HUMAN G-PROTEIN SUBUNIT ALPHA (GNAI3) IN COMPLEX WITH AN ENGINEERED REGULATOR OF G-PROTEIN SIGNALING TYPE 2 DOMAIN (RGS2)' 18103 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18103 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22274999 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments for G protein (i3) subunit in the GTP-bound state.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _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 217 _Citation.Page_last 220 _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 Yoko Mase . . . 18103 1 2 Mariko Yokogawa . . . 18103 1 3 Masanori Osawa . . . 18103 1 4 Ichio Shimada . . . 18103 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'G protein alpha subunit' 18103 1 'heterotrimeric guanine-nucleotide binding protein' 18103 1 'signal transduction' 18103 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18103 _Assembly.ID 1 _Assembly.Name G_protein_alphai3_subunit _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 41600 _Assembly.Enzyme_commission_number . _Assembly.Details 'Galphai3 in complex with GTPgammaS and magnesium' _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 G_protein_alphai3_subunit 1 $G_protein_alphai3_subunit A . yes native no no . . . 18103 1 2 deltaN-G_protein_alphai3_subunit 2 $deltaN-G_protein_alphai3_subunit B . no native no no . . . 18103 1 3 GSP 3 $GSP C . no native no no . . . 18103 1 4 'magnesium ions' 4 $MG D . no native no no . . . 18103 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_G_protein_alphai3_subunit _Entity.Sf_category entity _Entity.Sf_framecode G_protein_alphai3_subunit _Entity.Entry_ID 18103 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name G_protein_alphai3_subunit _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 ; GPDDHMGCTLSAEDKAAVER SKMIDRNLREDGEKAAKEVK LLLLGAGESGKSTIVKQMKI IHEDGYSEDECKQYKVVVYS NTIQSIIAIIRAMGRLKIDF GEAARADDARQLFVLAGSAE EGVMTPELAGVIKRLWRDGG VQACFSRSREYQLNDSASYY LNDLDRISQSNYIPTQQDVL RTRVKTTGIVETHFTFKDLY FKMFDVGGQRSERKKWIHCF EGVTAIIFCVALSDYDLVLA EDEEMNRMHESMKLFDSICN NKWFTETSIILFLNKKDLFE EKIKRSPLTICYPEYTGSNT YEEAAAYIQCQFEDLNRRKD TKEIYTHFTCATDTKNVQFV FDAVTDVIIKNNLKECGLY ; _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 359 _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 no BMRB 19015 . G_protein_alphai3_subunit . . . . . 100.00 359 100.00 100.00 0.00e+00 . . . . 18103 1 2 no PDB 2IHB . "Crystal Structure Of The Heterodimeric Complex Of Human Rgs10 And Activated Gi Alpha 3" . . . . . 89.97 323 100.00 100.00 0.00e+00 . . . . 18103 1 3 no PDB 2ODE . "Crystal Structure Of The Heterodimeric Complex Of Human Rgs8 And Activated Gi Alpha 3" . . . . . 96.66 350 100.00 100.00 0.00e+00 . . . . 18103 1 4 no PDB 2V4Z . "The Crystal Structure Of The Human G-Protein Subunit Alpha ( Gnai3) In Complex With An Engineered Regulator Of G- Protein Signa" . . . . . 96.66 350 100.00 100.00 0.00e+00 . . . . 18103 1 5 no PDB 4G5O . "Structure Of Lgn Gl4GALPHAI3(Q147L) COMPLEX" . . . . . 91.92 330 99.70 99.70 0.00e+00 . . . . 18103 1 6 no PDB 4G5R . "Structure Of Lgn Gl4GALPHAI3 COMPLEX" . . . . . 91.92 330 100.00 100.00 0.00e+00 . . . . 18103 1 7 no PDB 4G5S . "Structure Of Lgn Gl3GALPHAI3 COMPLEX" . . . . . 91.92 330 100.00 100.00 0.00e+00 . . . . 18103 1 8 no DBJ BAA04766 . "Gi3 protein alpha-subunit [Cavia porcellus]" . . . . . 98.61 354 98.02 99.44 0.00e+00 . . . . 18103 1 9 no DBJ BAB23377 . "unnamed protein product [Mus musculus]" . . . . . 98.61 354 98.31 99.72 0.00e+00 . . . . 18103 1 10 no DBJ BAC36828 . "unnamed protein product [Mus musculus]" . . . . . 98.61 354 98.31 99.72 0.00e+00 . . . . 18103 1 11 no DBJ BAE21821 . "unnamed protein product [Mus musculus]" . . . . . 98.61 354 98.31 99.72 0.00e+00 . . . . 18103 1 12 no DBJ BAE39524 . "unnamed protein product [Mus musculus]" . . . . . 98.61 354 98.02 99.72 0.00e+00 . . . . 18103 1 13 no GB AAA35895 . "Gi3 protein alpha subunit [Homo sapiens]" . . . . . 98.61 354 100.00 100.00 0.00e+00 . . . . 18103 1 14 no GB AAA35896 . "G protein alpha subunit [Homo sapiens]" . . . . . 98.61 354 100.00 100.00 0.00e+00 . . . . 18103 1 15 no GB AAA35939 . "GTP-binding protein alpha subunit [Homo sapiens]" . . . . . 98.61 354 100.00 100.00 0.00e+00 . . . . 18103 1 16 no GB AAA40823 . "GTP-binding protein [Rattus norvegicus]" . . . . . 98.61 354 98.59 99.72 0.00e+00 . . . . 18103 1 17 no GB AAA41224 . "Gi3 protein alpha subunit [Rattus norvegicus]" . . . . . 98.61 354 98.59 99.72 0.00e+00 . . . . 18103 1 18 no REF NP_001029849 . "guanine nucleotide-binding protein G(k) subunit alpha [Bos taurus]" . . . . . 98.61 354 98.87 99.72 0.00e+00 . . . . 18103 1 19 no REF NP_001116589 . "guanine nucleotide-binding protein G(k) subunit alpha [Sus scrofa]" . . . . . 98.61 354 99.15 100.00 0.00e+00 . . . . 18103 1 20 no REF NP_001166426 . "guanine nucleotide-binding protein G(k) subunit alpha [Cavia porcellus]" . . . . . 98.61 354 98.02 99.44 0.00e+00 . . . . 18103 1 21 no REF NP_001230987 . "guanine nucleotide-binding protein G(k) subunit alpha [Cricetulus griseus]" . . . . . 98.61 354 98.59 99.44 0.00e+00 . . . . 18103 1 22 no REF NP_001252902 . "guanine nucleotide-binding protein G(k) subunit alpha [Macaca mulatta]" . . . . . 98.61 354 100.00 100.00 0.00e+00 . . . . 18103 1 23 no SP P08753 . "RecName: Full=Guanine nucleotide-binding protein G(k) subunit alpha; AltName: Full=G(i) alpha-3" . . . . . 98.61 354 98.59 99.72 0.00e+00 . . . . 18103 1 24 no SP P08754 . "RecName: Full=Guanine nucleotide-binding protein G(k) subunit alpha; AltName: Full=G(i) alpha-3" . . . . . 98.61 354 100.00 100.00 0.00e+00 . . . . 18103 1 25 no SP P38403 . "RecName: Full=Guanine nucleotide-binding protein G(k) subunit alpha; AltName: Full=G(i) alpha-3" . . . . . 98.61 354 98.02 99.44 0.00e+00 . . . . 18103 1 26 no SP Q9DC51 . "RecName: Full=Guanine nucleotide-binding protein G(k) subunit alpha; AltName: Full=G(i) alpha-3" . . . . . 98.61 354 98.31 99.72 0.00e+00 . . . . 18103 1 27 no TPG DAA31484 . "TPA: guanine nucleotide binding protein (G protein), alpha inhibiting activity polypeptide 3 [Bos taurus]" . . . . . 98.61 354 98.87 99.72 0.00e+00 . . . . 18103 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'signal transduction' 18103 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 -5 GLY . 18103 1 2 -4 PRO . 18103 1 3 -3 ASP . 18103 1 4 -2 ASP . 18103 1 5 -1 HIS . 18103 1 6 1 MET . 18103 1 7 2 GLY . 18103 1 8 3 CYS . 18103 1 9 4 THR . 18103 1 10 5 LEU . 18103 1 11 6 SER . 18103 1 12 7 ALA . 18103 1 13 8 GLU . 18103 1 14 9 ASP . 18103 1 15 10 LYS . 18103 1 16 11 ALA . 18103 1 17 12 ALA . 18103 1 18 13 VAL . 18103 1 19 14 GLU . 18103 1 20 15 ARG . 18103 1 21 16 SER . 18103 1 22 17 LYS . 18103 1 23 18 MET . 18103 1 24 19 ILE . 18103 1 25 20 ASP . 18103 1 26 21 ARG . 18103 1 27 22 ASN . 18103 1 28 23 LEU . 18103 1 29 24 ARG . 18103 1 30 25 GLU . 18103 1 31 26 ASP . 18103 1 32 27 GLY . 18103 1 33 28 GLU . 18103 1 34 29 LYS . 18103 1 35 30 ALA . 18103 1 36 31 ALA . 18103 1 37 32 LYS . 18103 1 38 33 GLU . 18103 1 39 34 VAL . 18103 1 40 35 LYS . 18103 1 41 36 LEU . 18103 1 42 37 LEU . 18103 1 43 38 LEU . 18103 1 44 39 LEU . 18103 1 45 40 GLY . 18103 1 46 41 ALA . 18103 1 47 42 GLY . 18103 1 48 43 GLU . 18103 1 49 44 SER . 18103 1 50 45 GLY . 18103 1 51 46 LYS . 18103 1 52 47 SER . 18103 1 53 48 THR . 18103 1 54 49 ILE . 18103 1 55 50 VAL . 18103 1 56 51 LYS . 18103 1 57 52 GLN . 18103 1 58 53 MET . 18103 1 59 54 LYS . 18103 1 60 55 ILE . 18103 1 61 56 ILE . 18103 1 62 57 HIS . 18103 1 63 58 GLU . 18103 1 64 59 ASP . 18103 1 65 60 GLY . 18103 1 66 61 TYR . 18103 1 67 62 SER . 18103 1 68 63 GLU . 18103 1 69 64 ASP . 18103 1 70 65 GLU . 18103 1 71 66 CYS . 18103 1 72 67 LYS . 18103 1 73 68 GLN . 18103 1 74 69 TYR . 18103 1 75 70 LYS . 18103 1 76 71 VAL . 18103 1 77 72 VAL . 18103 1 78 73 VAL . 18103 1 79 74 TYR . 18103 1 80 75 SER . 18103 1 81 76 ASN . 18103 1 82 77 THR . 18103 1 83 78 ILE . 18103 1 84 79 GLN . 18103 1 85 80 SER . 18103 1 86 81 ILE . 18103 1 87 82 ILE . 18103 1 88 83 ALA . 18103 1 89 84 ILE . 18103 1 90 85 ILE . 18103 1 91 86 ARG . 18103 1 92 87 ALA . 18103 1 93 88 MET . 18103 1 94 89 GLY . 18103 1 95 90 ARG . 18103 1 96 91 LEU . 18103 1 97 92 LYS . 18103 1 98 93 ILE . 18103 1 99 94 ASP . 18103 1 100 95 PHE . 18103 1 101 96 GLY . 18103 1 102 97 GLU . 18103 1 103 98 ALA . 18103 1 104 99 ALA . 18103 1 105 100 ARG . 18103 1 106 101 ALA . 18103 1 107 102 ASP . 18103 1 108 103 ASP . 18103 1 109 104 ALA . 18103 1 110 105 ARG . 18103 1 111 106 GLN . 18103 1 112 107 LEU . 18103 1 113 108 PHE . 18103 1 114 109 VAL . 18103 1 115 110 LEU . 18103 1 116 111 ALA . 18103 1 117 112 GLY . 18103 1 118 113 SER . 18103 1 119 114 ALA . 18103 1 120 115 GLU . 18103 1 121 116 GLU . 18103 1 122 117 GLY . 18103 1 123 118 VAL . 18103 1 124 119 MET . 18103 1 125 120 THR . 18103 1 126 121 PRO . 18103 1 127 122 GLU . 18103 1 128 123 LEU . 18103 1 129 124 ALA . 18103 1 130 125 GLY . 18103 1 131 126 VAL . 18103 1 132 127 ILE . 18103 1 133 128 LYS . 18103 1 134 129 ARG . 18103 1 135 130 LEU . 18103 1 136 131 TRP . 18103 1 137 132 ARG . 18103 1 138 133 ASP . 18103 1 139 134 GLY . 18103 1 140 135 GLY . 18103 1 141 136 VAL . 18103 1 142 137 GLN . 18103 1 143 138 ALA . 18103 1 144 139 CYS . 18103 1 145 140 PHE . 18103 1 146 141 SER . 18103 1 147 142 ARG . 18103 1 148 143 SER . 18103 1 149 144 ARG . 18103 1 150 145 GLU . 18103 1 151 146 TYR . 18103 1 152 147 GLN . 18103 1 153 148 LEU . 18103 1 154 149 ASN . 18103 1 155 150 ASP . 18103 1 156 151 SER . 18103 1 157 152 ALA . 18103 1 158 153 SER . 18103 1 159 154 TYR . 18103 1 160 155 TYR . 18103 1 161 156 LEU . 18103 1 162 157 ASN . 18103 1 163 158 ASP . 18103 1 164 159 LEU . 18103 1 165 160 ASP . 18103 1 166 161 ARG . 18103 1 167 162 ILE . 18103 1 168 163 SER . 18103 1 169 164 GLN . 18103 1 170 165 SER . 18103 1 171 166 ASN . 18103 1 172 167 TYR . 18103 1 173 168 ILE . 18103 1 174 169 PRO . 18103 1 175 170 THR . 18103 1 176 171 GLN . 18103 1 177 172 GLN . 18103 1 178 173 ASP . 18103 1 179 174 VAL . 18103 1 180 175 LEU . 18103 1 181 176 ARG . 18103 1 182 177 THR . 18103 1 183 178 ARG . 18103 1 184 179 VAL . 18103 1 185 180 LYS . 18103 1 186 181 THR . 18103 1 187 182 THR . 18103 1 188 183 GLY . 18103 1 189 184 ILE . 18103 1 190 185 VAL . 18103 1 191 186 GLU . 18103 1 192 187 THR . 18103 1 193 188 HIS . 18103 1 194 189 PHE . 18103 1 195 190 THR . 18103 1 196 191 PHE . 18103 1 197 192 LYS . 18103 1 198 193 ASP . 18103 1 199 194 LEU . 18103 1 200 195 TYR . 18103 1 201 196 PHE . 18103 1 202 197 LYS . 18103 1 203 198 MET . 18103 1 204 199 PHE . 18103 1 205 200 ASP . 18103 1 206 201 VAL . 18103 1 207 202 GLY . 18103 1 208 203 GLY . 18103 1 209 204 GLN . 18103 1 210 205 ARG . 18103 1 211 206 SER . 18103 1 212 207 GLU . 18103 1 213 208 ARG . 18103 1 214 209 LYS . 18103 1 215 210 LYS . 18103 1 216 211 TRP . 18103 1 217 212 ILE . 18103 1 218 213 HIS . 18103 1 219 214 CYS . 18103 1 220 215 PHE . 18103 1 221 216 GLU . 18103 1 222 217 GLY . 18103 1 223 218 VAL . 18103 1 224 219 THR . 18103 1 225 220 ALA . 18103 1 226 221 ILE . 18103 1 227 222 ILE . 18103 1 228 223 PHE . 18103 1 229 224 CYS . 18103 1 230 225 VAL . 18103 1 231 226 ALA . 18103 1 232 227 LEU . 18103 1 233 228 SER . 18103 1 234 229 ASP . 18103 1 235 230 TYR . 18103 1 236 231 ASP . 18103 1 237 232 LEU . 18103 1 238 233 VAL . 18103 1 239 234 LEU . 18103 1 240 235 ALA . 18103 1 241 236 GLU . 18103 1 242 237 ASP . 18103 1 243 238 GLU . 18103 1 244 239 GLU . 18103 1 245 240 MET . 18103 1 246 241 ASN . 18103 1 247 242 ARG . 18103 1 248 243 MET . 18103 1 249 244 HIS . 18103 1 250 245 GLU . 18103 1 251 246 SER . 18103 1 252 247 MET . 18103 1 253 248 LYS . 18103 1 254 249 LEU . 18103 1 255 250 PHE . 18103 1 256 251 ASP . 18103 1 257 252 SER . 18103 1 258 253 ILE . 18103 1 259 254 CYS . 18103 1 260 255 ASN . 18103 1 261 256 ASN . 18103 1 262 257 LYS . 18103 1 263 258 TRP . 18103 1 264 259 PHE . 18103 1 265 260 THR . 18103 1 266 261 GLU . 18103 1 267 262 THR . 18103 1 268 263 SER . 18103 1 269 264 ILE . 18103 1 270 265 ILE . 18103 1 271 266 LEU . 18103 1 272 267 PHE . 18103 1 273 268 LEU . 18103 1 274 269 ASN . 18103 1 275 270 LYS . 18103 1 276 271 LYS . 18103 1 277 272 ASP . 18103 1 278 273 LEU . 18103 1 279 274 PHE . 18103 1 280 275 GLU . 18103 1 281 276 GLU . 18103 1 282 277 LYS . 18103 1 283 278 ILE . 18103 1 284 279 LYS . 18103 1 285 280 ARG . 18103 1 286 281 SER . 18103 1 287 282 PRO . 18103 1 288 283 LEU . 18103 1 289 284 THR . 18103 1 290 285 ILE . 18103 1 291 286 CYS . 18103 1 292 287 TYR . 18103 1 293 288 PRO . 18103 1 294 289 GLU . 18103 1 295 290 TYR . 18103 1 296 291 THR . 18103 1 297 292 GLY . 18103 1 298 293 SER . 18103 1 299 294 ASN . 18103 1 300 295 THR . 18103 1 301 296 TYR . 18103 1 302 297 GLU . 18103 1 303 298 GLU . 18103 1 304 299 ALA . 18103 1 305 300 ALA . 18103 1 306 301 ALA . 18103 1 307 302 TYR . 18103 1 308 303 ILE . 18103 1 309 304 GLN . 18103 1 310 305 CYS . 18103 1 311 306 GLN . 18103 1 312 307 PHE . 18103 1 313 308 GLU . 18103 1 314 309 ASP . 18103 1 315 310 LEU . 18103 1 316 311 ASN . 18103 1 317 312 ARG . 18103 1 318 313 ARG . 18103 1 319 314 LYS . 18103 1 320 315 ASP . 18103 1 321 316 THR . 18103 1 322 317 LYS . 18103 1 323 318 GLU . 18103 1 324 319 ILE . 18103 1 325 320 TYR . 18103 1 326 321 THR . 18103 1 327 322 HIS . 18103 1 328 323 PHE . 18103 1 329 324 THR . 18103 1 330 325 CYS . 18103 1 331 326 ALA . 18103 1 332 327 THR . 18103 1 333 328 ASP . 18103 1 334 329 THR . 18103 1 335 330 LYS . 18103 1 336 331 ASN . 18103 1 337 332 VAL . 18103 1 338 333 GLN . 18103 1 339 334 PHE . 18103 1 340 335 VAL . 18103 1 341 336 PHE . 18103 1 342 337 ASP . 18103 1 343 338 ALA . 18103 1 344 339 VAL . 18103 1 345 340 THR . 18103 1 346 341 ASP . 18103 1 347 342 VAL . 18103 1 348 343 ILE . 18103 1 349 344 ILE . 18103 1 350 345 LYS . 18103 1 351 346 ASN . 18103 1 352 347 ASN . 18103 1 353 348 LEU . 18103 1 354 349 LYS . 18103 1 355 350 GLU . 18103 1 356 351 CYS . 18103 1 357 352 GLY . 18103 1 358 353 LEU . 18103 1 359 354 TYR . 18103 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18103 1 . PRO 2 2 18103 1 . ASP 3 3 18103 1 . ASP 4 4 18103 1 . HIS 5 5 18103 1 . MET 6 6 18103 1 . GLY 7 7 18103 1 . CYS 8 8 18103 1 . THR 9 9 18103 1 . LEU 10 10 18103 1 . SER 11 11 18103 1 . ALA 12 12 18103 1 . GLU 13 13 18103 1 . ASP 14 14 18103 1 . LYS 15 15 18103 1 . ALA 16 16 18103 1 . ALA 17 17 18103 1 . VAL 18 18 18103 1 . GLU 19 19 18103 1 . ARG 20 20 18103 1 . SER 21 21 18103 1 . LYS 22 22 18103 1 . MET 23 23 18103 1 . ILE 24 24 18103 1 . ASP 25 25 18103 1 . ARG 26 26 18103 1 . ASN 27 27 18103 1 . LEU 28 28 18103 1 . ARG 29 29 18103 1 . GLU 30 30 18103 1 . ASP 31 31 18103 1 . GLY 32 32 18103 1 . GLU 33 33 18103 1 . LYS 34 34 18103 1 . ALA 35 35 18103 1 . ALA 36 36 18103 1 . LYS 37 37 18103 1 . GLU 38 38 18103 1 . VAL 39 39 18103 1 . LYS 40 40 18103 1 . LEU 41 41 18103 1 . LEU 42 42 18103 1 . LEU 43 43 18103 1 . LEU 44 44 18103 1 . GLY 45 45 18103 1 . ALA 46 46 18103 1 . GLY 47 47 18103 1 . GLU 48 48 18103 1 . SER 49 49 18103 1 . GLY 50 50 18103 1 . LYS 51 51 18103 1 . SER 52 52 18103 1 . THR 53 53 18103 1 . ILE 54 54 18103 1 . VAL 55 55 18103 1 . LYS 56 56 18103 1 . GLN 57 57 18103 1 . MET 58 58 18103 1 . LYS 59 59 18103 1 . ILE 60 60 18103 1 . ILE 61 61 18103 1 . HIS 62 62 18103 1 . GLU 63 63 18103 1 . ASP 64 64 18103 1 . GLY 65 65 18103 1 . TYR 66 66 18103 1 . SER 67 67 18103 1 . GLU 68 68 18103 1 . ASP 69 69 18103 1 . GLU 70 70 18103 1 . CYS 71 71 18103 1 . LYS 72 72 18103 1 . GLN 73 73 18103 1 . TYR 74 74 18103 1 . LYS 75 75 18103 1 . VAL 76 76 18103 1 . VAL 77 77 18103 1 . VAL 78 78 18103 1 . TYR 79 79 18103 1 . SER 80 80 18103 1 . ASN 81 81 18103 1 . THR 82 82 18103 1 . ILE 83 83 18103 1 . GLN 84 84 18103 1 . SER 85 85 18103 1 . ILE 86 86 18103 1 . ILE 87 87 18103 1 . ALA 88 88 18103 1 . ILE 89 89 18103 1 . ILE 90 90 18103 1 . ARG 91 91 18103 1 . ALA 92 92 18103 1 . MET 93 93 18103 1 . GLY 94 94 18103 1 . ARG 95 95 18103 1 . LEU 96 96 18103 1 . LYS 97 97 18103 1 . ILE 98 98 18103 1 . ASP 99 99 18103 1 . PHE 100 100 18103 1 . GLY 101 101 18103 1 . GLU 102 102 18103 1 . ALA 103 103 18103 1 . ALA 104 104 18103 1 . ARG 105 105 18103 1 . ALA 106 106 18103 1 . ASP 107 107 18103 1 . ASP 108 108 18103 1 . ALA 109 109 18103 1 . ARG 110 110 18103 1 . GLN 111 111 18103 1 . LEU 112 112 18103 1 . PHE 113 113 18103 1 . VAL 114 114 18103 1 . LEU 115 115 18103 1 . ALA 116 116 18103 1 . GLY 117 117 18103 1 . SER 118 118 18103 1 . ALA 119 119 18103 1 . GLU 120 120 18103 1 . GLU 121 121 18103 1 . GLY 122 122 18103 1 . VAL 123 123 18103 1 . MET 124 124 18103 1 . THR 125 125 18103 1 . PRO 126 126 18103 1 . GLU 127 127 18103 1 . LEU 128 128 18103 1 . ALA 129 129 18103 1 . GLY 130 130 18103 1 . VAL 131 131 18103 1 . ILE 132 132 18103 1 . LYS 133 133 18103 1 . ARG 134 134 18103 1 . LEU 135 135 18103 1 . TRP 136 136 18103 1 . ARG 137 137 18103 1 . ASP 138 138 18103 1 . GLY 139 139 18103 1 . GLY 140 140 18103 1 . VAL 141 141 18103 1 . GLN 142 142 18103 1 . ALA 143 143 18103 1 . CYS 144 144 18103 1 . PHE 145 145 18103 1 . SER 146 146 18103 1 . ARG 147 147 18103 1 . SER 148 148 18103 1 . ARG 149 149 18103 1 . GLU 150 150 18103 1 . TYR 151 151 18103 1 . GLN 152 152 18103 1 . LEU 153 153 18103 1 . ASN 154 154 18103 1 . ASP 155 155 18103 1 . SER 156 156 18103 1 . ALA 157 157 18103 1 . SER 158 158 18103 1 . TYR 159 159 18103 1 . TYR 160 160 18103 1 . LEU 161 161 18103 1 . ASN 162 162 18103 1 . ASP 163 163 18103 1 . LEU 164 164 18103 1 . ASP 165 165 18103 1 . ARG 166 166 18103 1 . ILE 167 167 18103 1 . SER 168 168 18103 1 . GLN 169 169 18103 1 . SER 170 170 18103 1 . ASN 171 171 18103 1 . TYR 172 172 18103 1 . ILE 173 173 18103 1 . PRO 174 174 18103 1 . THR 175 175 18103 1 . GLN 176 176 18103 1 . GLN 177 177 18103 1 . ASP 178 178 18103 1 . VAL 179 179 18103 1 . LEU 180 180 18103 1 . ARG 181 181 18103 1 . THR 182 182 18103 1 . ARG 183 183 18103 1 . VAL 184 184 18103 1 . LYS 185 185 18103 1 . THR 186 186 18103 1 . THR 187 187 18103 1 . GLY 188 188 18103 1 . ILE 189 189 18103 1 . VAL 190 190 18103 1 . GLU 191 191 18103 1 . THR 192 192 18103 1 . HIS 193 193 18103 1 . PHE 194 194 18103 1 . THR 195 195 18103 1 . PHE 196 196 18103 1 . LYS 197 197 18103 1 . ASP 198 198 18103 1 . LEU 199 199 18103 1 . TYR 200 200 18103 1 . PHE 201 201 18103 1 . LYS 202 202 18103 1 . MET 203 203 18103 1 . PHE 204 204 18103 1 . ASP 205 205 18103 1 . VAL 206 206 18103 1 . GLY 207 207 18103 1 . GLY 208 208 18103 1 . GLN 209 209 18103 1 . ARG 210 210 18103 1 . SER 211 211 18103 1 . GLU 212 212 18103 1 . ARG 213 213 18103 1 . LYS 214 214 18103 1 . LYS 215 215 18103 1 . TRP 216 216 18103 1 . ILE 217 217 18103 1 . HIS 218 218 18103 1 . CYS 219 219 18103 1 . PHE 220 220 18103 1 . GLU 221 221 18103 1 . GLY 222 222 18103 1 . VAL 223 223 18103 1 . THR 224 224 18103 1 . ALA 225 225 18103 1 . ILE 226 226 18103 1 . ILE 227 227 18103 1 . PHE 228 228 18103 1 . CYS 229 229 18103 1 . VAL 230 230 18103 1 . ALA 231 231 18103 1 . LEU 232 232 18103 1 . SER 233 233 18103 1 . ASP 234 234 18103 1 . TYR 235 235 18103 1 . ASP 236 236 18103 1 . LEU 237 237 18103 1 . VAL 238 238 18103 1 . LEU 239 239 18103 1 . ALA 240 240 18103 1 . GLU 241 241 18103 1 . ASP 242 242 18103 1 . GLU 243 243 18103 1 . GLU 244 244 18103 1 . MET 245 245 18103 1 . ASN 246 246 18103 1 . ARG 247 247 18103 1 . MET 248 248 18103 1 . HIS 249 249 18103 1 . GLU 250 250 18103 1 . SER 251 251 18103 1 . MET 252 252 18103 1 . LYS 253 253 18103 1 . LEU 254 254 18103 1 . PHE 255 255 18103 1 . ASP 256 256 18103 1 . SER 257 257 18103 1 . ILE 258 258 18103 1 . CYS 259 259 18103 1 . ASN 260 260 18103 1 . ASN 261 261 18103 1 . LYS 262 262 18103 1 . TRP 263 263 18103 1 . PHE 264 264 18103 1 . THR 265 265 18103 1 . GLU 266 266 18103 1 . THR 267 267 18103 1 . SER 268 268 18103 1 . ILE 269 269 18103 1 . ILE 270 270 18103 1 . LEU 271 271 18103 1 . PHE 272 272 18103 1 . LEU 273 273 18103 1 . ASN 274 274 18103 1 . LYS 275 275 18103 1 . LYS 276 276 18103 1 . ASP 277 277 18103 1 . LEU 278 278 18103 1 . PHE 279 279 18103 1 . GLU 280 280 18103 1 . GLU 281 281 18103 1 . LYS 282 282 18103 1 . ILE 283 283 18103 1 . LYS 284 284 18103 1 . ARG 285 285 18103 1 . SER 286 286 18103 1 . PRO 287 287 18103 1 . LEU 288 288 18103 1 . THR 289 289 18103 1 . ILE 290 290 18103 1 . CYS 291 291 18103 1 . TYR 292 292 18103 1 . PRO 293 293 18103 1 . GLU 294 294 18103 1 . TYR 295 295 18103 1 . THR 296 296 18103 1 . GLY 297 297 18103 1 . SER 298 298 18103 1 . ASN 299 299 18103 1 . THR 300 300 18103 1 . TYR 301 301 18103 1 . GLU 302 302 18103 1 . GLU 303 303 18103 1 . ALA 304 304 18103 1 . ALA 305 305 18103 1 . ALA 306 306 18103 1 . TYR 307 307 18103 1 . ILE 308 308 18103 1 . GLN 309 309 18103 1 . CYS 310 310 18103 1 . GLN 311 311 18103 1 . PHE 312 312 18103 1 . GLU 313 313 18103 1 . ASP 314 314 18103 1 . LEU 315 315 18103 1 . ASN 316 316 18103 1 . ARG 317 317 18103 1 . ARG 318 318 18103 1 . LYS 319 319 18103 1 . ASP 320 320 18103 1 . THR 321 321 18103 1 . LYS 322 322 18103 1 . GLU 323 323 18103 1 . ILE 324 324 18103 1 . TYR 325 325 18103 1 . THR 326 326 18103 1 . HIS 327 327 18103 1 . PHE 328 328 18103 1 . THR 329 329 18103 1 . CYS 330 330 18103 1 . ALA 331 331 18103 1 . THR 332 332 18103 1 . ASP 333 333 18103 1 . THR 334 334 18103 1 . LYS 335 335 18103 1 . ASN 336 336 18103 1 . VAL 337 337 18103 1 . GLN 338 338 18103 1 . PHE 339 339 18103 1 . VAL 340 340 18103 1 . PHE 341 341 18103 1 . ASP 342 342 18103 1 . ALA 343 343 18103 1 . VAL 344 344 18103 1 . THR 345 345 18103 1 . ASP 346 346 18103 1 . VAL 347 347 18103 1 . ILE 348 348 18103 1 . ILE 349 349 18103 1 . LYS 350 350 18103 1 . ASN 351 351 18103 1 . ASN 352 352 18103 1 . LEU 353 353 18103 1 . LYS 354 354 18103 1 . GLU 355 355 18103 1 . CYS 356 356 18103 1 . GLY 357 357 18103 1 . LEU 358 358 18103 1 . TYR 359 359 18103 1 stop_ save_ save_deltaN-G_protein_alphai3_subunit _Entity.Sf_category entity _Entity.Sf_framecode deltaN-G_protein_alphai3_subunit _Entity.Entry_ID 18103 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name deltaN-G_protein_alphai3_subunit _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 ; GPDDHAKEVKLLLLGAGESG KSTIVKQMKIIHEDGYSEDE CKQYKVVVYSNTIQSIIAII RAMGRLKIDFGEAARADDAR QLFVLAGSAEEGVMTPELAG VIKRLWRDGGVQACFSRSRE YQLNDSASYYLNDLDRISQS NYIPTQQDVLRTRVKTTGIV ETHFTFKDLYFKMFDVGGQR SERKKWIHCFEGVTAIIFCV ALSDYDLVLAEDEEMNRMHE SMKLFDSICNNKWFTETSII LFLNKKDLFEEKIKRSPLTI CYPEYTGSNTYEEAAAYIQC QFEDLNRRKDTKEIYTHFTC ATDTKNVQFVFDAVTDVIIK NNLKECGLY ; _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 329 _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 'G ptorein alphai3 construct with its N-terminal 30 residues deleted' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19015 . deltaN-G_protein_alphai3_subunit . . . . . 100.00 329 100.00 100.00 0.00e+00 . . . . 18103 2 2 no PDB 2IHB . "Crystal Structure Of The Heterodimeric Complex Of Human Rgs10 And Activated Gi Alpha 3" . . . . . 98.18 323 100.00 100.00 0.00e+00 . . . . 18103 2 3 no PDB 2ODE . "Crystal Structure Of The Heterodimeric Complex Of Human Rgs8 And Activated Gi Alpha 3" . . . . . 97.26 350 100.00 100.00 0.00e+00 . . . . 18103 2 4 no PDB 2V4Z . "The Crystal Structure Of The Human G-Protein Subunit Alpha ( Gnai3) In Complex With An Engineered Regulator Of G- Protein Signa" . . . . . 97.26 350 100.00 100.00 0.00e+00 . . . . 18103 2 5 no PDB 4G5O . "Structure Of Lgn Gl4GALPHAI3(Q147L) COMPLEX" . . . . . 98.48 330 99.69 99.69 0.00e+00 . . . . 18103 2 6 no PDB 4G5R . "Structure Of Lgn Gl4GALPHAI3 COMPLEX" . . . . . 98.48 330 100.00 100.00 0.00e+00 . . . . 18103 2 7 no PDB 4G5S . "Structure Of Lgn Gl3GALPHAI3 COMPLEX" . . . . . 98.48 330 100.00 100.00 0.00e+00 . . . . 18103 2 8 no DBJ BAA04766 . "Gi3 protein alpha-subunit [Cavia porcellus]" . . . . . 98.48 354 97.84 99.38 0.00e+00 . . . . 18103 2 9 no DBJ BAB23377 . "unnamed protein product [Mus musculus]" . . . . . 98.48 354 98.15 99.69 0.00e+00 . . . . 18103 2 10 no DBJ BAC36828 . "unnamed protein product [Mus musculus]" . . . . . 98.48 354 98.15 99.69 0.00e+00 . . . . 18103 2 11 no DBJ BAE21821 . "unnamed protein product [Mus musculus]" . . . . . 98.48 354 98.15 99.69 0.00e+00 . . . . 18103 2 12 no DBJ BAE39524 . "unnamed protein product [Mus musculus]" . . . . . 98.48 354 97.84 99.69 0.00e+00 . . . . 18103 2 13 no GB AAA35895 . "Gi3 protein alpha subunit [Homo sapiens]" . . . . . 98.48 354 100.00 100.00 0.00e+00 . . . . 18103 2 14 no GB AAA35896 . "G protein alpha subunit [Homo sapiens]" . . . . . 98.48 354 100.00 100.00 0.00e+00 . . . . 18103 2 15 no GB AAA35939 . "GTP-binding protein alpha subunit [Homo sapiens]" . . . . . 98.48 354 100.00 100.00 0.00e+00 . . . . 18103 2 16 no GB AAA40823 . "GTP-binding protein [Rattus norvegicus]" . . . . . 98.48 354 98.46 99.69 0.00e+00 . . . . 18103 2 17 no GB AAA41224 . "Gi3 protein alpha subunit [Rattus norvegicus]" . . . . . 98.48 354 98.46 99.69 0.00e+00 . . . . 18103 2 18 no REF NP_001029849 . "guanine nucleotide-binding protein G(k) subunit alpha [Bos taurus]" . . . . . 98.48 354 98.77 99.69 0.00e+00 . . . . 18103 2 19 no REF NP_001116589 . "guanine nucleotide-binding protein G(k) subunit alpha [Sus scrofa]" . . . . . 98.48 354 99.07 100.00 0.00e+00 . . . . 18103 2 20 no REF NP_001166426 . "guanine nucleotide-binding protein G(k) subunit alpha [Cavia porcellus]" . . . . . 98.48 354 97.84 99.38 0.00e+00 . . . . 18103 2 21 no REF NP_001230987 . "guanine nucleotide-binding protein G(k) subunit alpha [Cricetulus griseus]" . . . . . 98.48 354 98.46 99.38 0.00e+00 . . . . 18103 2 22 no REF NP_001252902 . "guanine nucleotide-binding protein G(k) subunit alpha [Macaca mulatta]" . . . . . 98.48 354 100.00 100.00 0.00e+00 . . . . 18103 2 23 no SP P08753 . "RecName: Full=Guanine nucleotide-binding protein G(k) subunit alpha; AltName: Full=G(i) alpha-3 [Rattus norvegicus]" . . . . . 98.48 354 98.46 99.69 0.00e+00 . . . . 18103 2 24 no SP P08754 . "RecName: Full=Guanine nucleotide-binding protein G(k) subunit alpha; AltName: Full=G(i) alpha-3 [Homo sapiens]" . . . . . 98.48 354 100.00 100.00 0.00e+00 . . . . 18103 2 25 no SP P38403 . "RecName: Full=Guanine nucleotide-binding protein G(k) subunit alpha; AltName: Full=G(i) alpha-3 [Cavia porcellus]" . . . . . 98.48 354 97.84 99.38 0.00e+00 . . . . 18103 2 26 no SP Q9DC51 . "RecName: Full=Guanine nucleotide-binding protein G(k) subunit alpha; AltName: Full=G(i) alpha-3 [Mus musculus]" . . . . . 98.48 354 98.15 99.69 0.00e+00 . . . . 18103 2 27 no TPG DAA31484 . "TPA: guanine nucleotide binding protein (G protein), alpha inhibiting activity polypeptide 3 [Bos taurus]" . . . . . 98.48 354 98.77 99.69 0.00e+00 . . . . 18103 2 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 GLY . 18103 2 2 2 PRO . 18103 2 3 3 ASP . 18103 2 4 4 ASP . 18103 2 5 5 HIS . 18103 2 6 6 ALA . 18103 2 7 7 LYS . 18103 2 8 8 GLU . 18103 2 9 9 VAL . 18103 2 10 10 LYS . 18103 2 11 11 LEU . 18103 2 12 12 LEU . 18103 2 13 13 LEU . 18103 2 14 14 LEU . 18103 2 15 15 GLY . 18103 2 16 16 ALA . 18103 2 17 17 GLY . 18103 2 18 18 GLU . 18103 2 19 19 SER . 18103 2 20 20 GLY . 18103 2 21 21 LYS . 18103 2 22 22 SER . 18103 2 23 23 THR . 18103 2 24 24 ILE . 18103 2 25 25 VAL . 18103 2 26 26 LYS . 18103 2 27 27 GLN . 18103 2 28 28 MET . 18103 2 29 29 LYS . 18103 2 30 30 ILE . 18103 2 31 31 ILE . 18103 2 32 32 HIS . 18103 2 33 33 GLU . 18103 2 34 34 ASP . 18103 2 35 35 GLY . 18103 2 36 36 TYR . 18103 2 37 37 SER . 18103 2 38 38 GLU . 18103 2 39 39 ASP . 18103 2 40 40 GLU . 18103 2 41 41 CYS . 18103 2 42 42 LYS . 18103 2 43 43 GLN . 18103 2 44 44 TYR . 18103 2 45 45 LYS . 18103 2 46 46 VAL . 18103 2 47 47 VAL . 18103 2 48 48 VAL . 18103 2 49 49 TYR . 18103 2 50 50 SER . 18103 2 51 51 ASN . 18103 2 52 52 THR . 18103 2 53 53 ILE . 18103 2 54 54 GLN . 18103 2 55 55 SER . 18103 2 56 56 ILE . 18103 2 57 57 ILE . 18103 2 58 58 ALA . 18103 2 59 59 ILE . 18103 2 60 60 ILE . 18103 2 61 61 ARG . 18103 2 62 62 ALA . 18103 2 63 63 MET . 18103 2 64 64 GLY . 18103 2 65 65 ARG . 18103 2 66 66 LEU . 18103 2 67 67 LYS . 18103 2 68 68 ILE . 18103 2 69 69 ASP . 18103 2 70 70 PHE . 18103 2 71 71 GLY . 18103 2 72 72 GLU . 18103 2 73 73 ALA . 18103 2 74 74 ALA . 18103 2 75 75 ARG . 18103 2 76 76 ALA . 18103 2 77 77 ASP . 18103 2 78 78 ASP . 18103 2 79 79 ALA . 18103 2 80 80 ARG . 18103 2 81 81 GLN . 18103 2 82 82 LEU . 18103 2 83 83 PHE . 18103 2 84 84 VAL . 18103 2 85 85 LEU . 18103 2 86 86 ALA . 18103 2 87 87 GLY . 18103 2 88 88 SER . 18103 2 89 89 ALA . 18103 2 90 90 GLU . 18103 2 91 91 GLU . 18103 2 92 92 GLY . 18103 2 93 93 VAL . 18103 2 94 94 MET . 18103 2 95 95 THR . 18103 2 96 96 PRO . 18103 2 97 97 GLU . 18103 2 98 98 LEU . 18103 2 99 99 ALA . 18103 2 100 100 GLY . 18103 2 101 101 VAL . 18103 2 102 102 ILE . 18103 2 103 103 LYS . 18103 2 104 104 ARG . 18103 2 105 105 LEU . 18103 2 106 106 TRP . 18103 2 107 107 ARG . 18103 2 108 108 ASP . 18103 2 109 109 GLY . 18103 2 110 110 GLY . 18103 2 111 111 VAL . 18103 2 112 112 GLN . 18103 2 113 113 ALA . 18103 2 114 114 CYS . 18103 2 115 115 PHE . 18103 2 116 116 SER . 18103 2 117 117 ARG . 18103 2 118 118 SER . 18103 2 119 119 ARG . 18103 2 120 120 GLU . 18103 2 121 121 TYR . 18103 2 122 122 GLN . 18103 2 123 123 LEU . 18103 2 124 124 ASN . 18103 2 125 125 ASP . 18103 2 126 126 SER . 18103 2 127 127 ALA . 18103 2 128 128 SER . 18103 2 129 129 TYR . 18103 2 130 130 TYR . 18103 2 131 131 LEU . 18103 2 132 132 ASN . 18103 2 133 133 ASP . 18103 2 134 134 LEU . 18103 2 135 135 ASP . 18103 2 136 136 ARG . 18103 2 137 137 ILE . 18103 2 138 138 SER . 18103 2 139 139 GLN . 18103 2 140 140 SER . 18103 2 141 141 ASN . 18103 2 142 142 TYR . 18103 2 143 143 ILE . 18103 2 144 144 PRO . 18103 2 145 145 THR . 18103 2 146 146 GLN . 18103 2 147 147 GLN . 18103 2 148 148 ASP . 18103 2 149 149 VAL . 18103 2 150 150 LEU . 18103 2 151 151 ARG . 18103 2 152 152 THR . 18103 2 153 153 ARG . 18103 2 154 154 VAL . 18103 2 155 155 LYS . 18103 2 156 156 THR . 18103 2 157 157 THR . 18103 2 158 158 GLY . 18103 2 159 159 ILE . 18103 2 160 160 VAL . 18103 2 161 161 GLU . 18103 2 162 162 THR . 18103 2 163 163 HIS . 18103 2 164 164 PHE . 18103 2 165 165 THR . 18103 2 166 166 PHE . 18103 2 167 167 LYS . 18103 2 168 168 ASP . 18103 2 169 169 LEU . 18103 2 170 170 TYR . 18103 2 171 171 PHE . 18103 2 172 172 LYS . 18103 2 173 173 MET . 18103 2 174 174 PHE . 18103 2 175 175 ASP . 18103 2 176 176 VAL . 18103 2 177 177 GLY . 18103 2 178 178 GLY . 18103 2 179 179 GLN . 18103 2 180 180 ARG . 18103 2 181 181 SER . 18103 2 182 182 GLU . 18103 2 183 183 ARG . 18103 2 184 184 LYS . 18103 2 185 185 LYS . 18103 2 186 186 TRP . 18103 2 187 187 ILE . 18103 2 188 188 HIS . 18103 2 189 189 CYS . 18103 2 190 190 PHE . 18103 2 191 191 GLU . 18103 2 192 192 GLY . 18103 2 193 193 VAL . 18103 2 194 194 THR . 18103 2 195 195 ALA . 18103 2 196 196 ILE . 18103 2 197 197 ILE . 18103 2 198 198 PHE . 18103 2 199 199 CYS . 18103 2 200 200 VAL . 18103 2 201 201 ALA . 18103 2 202 202 LEU . 18103 2 203 203 SER . 18103 2 204 204 ASP . 18103 2 205 205 TYR . 18103 2 206 206 ASP . 18103 2 207 207 LEU . 18103 2 208 208 VAL . 18103 2 209 209 LEU . 18103 2 210 210 ALA . 18103 2 211 211 GLU . 18103 2 212 212 ASP . 18103 2 213 213 GLU . 18103 2 214 214 GLU . 18103 2 215 215 MET . 18103 2 216 216 ASN . 18103 2 217 217 ARG . 18103 2 218 218 MET . 18103 2 219 219 HIS . 18103 2 220 220 GLU . 18103 2 221 221 SER . 18103 2 222 222 MET . 18103 2 223 223 LYS . 18103 2 224 224 LEU . 18103 2 225 225 PHE . 18103 2 226 226 ASP . 18103 2 227 227 SER . 18103 2 228 228 ILE . 18103 2 229 229 CYS . 18103 2 230 230 ASN . 18103 2 231 231 ASN . 18103 2 232 232 LYS . 18103 2 233 233 TRP . 18103 2 234 234 PHE . 18103 2 235 235 THR . 18103 2 236 236 GLU . 18103 2 237 237 THR . 18103 2 238 238 SER . 18103 2 239 239 ILE . 18103 2 240 240 ILE . 18103 2 241 241 LEU . 18103 2 242 242 PHE . 18103 2 243 243 LEU . 18103 2 244 244 ASN . 18103 2 245 245 LYS . 18103 2 246 246 LYS . 18103 2 247 247 ASP . 18103 2 248 248 LEU . 18103 2 249 249 PHE . 18103 2 250 250 GLU . 18103 2 251 251 GLU . 18103 2 252 252 LYS . 18103 2 253 253 ILE . 18103 2 254 254 LYS . 18103 2 255 255 ARG . 18103 2 256 256 SER . 18103 2 257 257 PRO . 18103 2 258 258 LEU . 18103 2 259 259 THR . 18103 2 260 260 ILE . 18103 2 261 261 CYS . 18103 2 262 262 TYR . 18103 2 263 263 PRO . 18103 2 264 264 GLU . 18103 2 265 265 TYR . 18103 2 266 266 THR . 18103 2 267 267 GLY . 18103 2 268 268 SER . 18103 2 269 269 ASN . 18103 2 270 270 THR . 18103 2 271 271 TYR . 18103 2 272 272 GLU . 18103 2 273 273 GLU . 18103 2 274 274 ALA . 18103 2 275 275 ALA . 18103 2 276 276 ALA . 18103 2 277 277 TYR . 18103 2 278 278 ILE . 18103 2 279 279 GLN . 18103 2 280 280 CYS . 18103 2 281 281 GLN . 18103 2 282 282 PHE . 18103 2 283 283 GLU . 18103 2 284 284 ASP . 18103 2 285 285 LEU . 18103 2 286 286 ASN . 18103 2 287 287 ARG . 18103 2 288 288 ARG . 18103 2 289 289 LYS . 18103 2 290 290 ASP . 18103 2 291 291 THR . 18103 2 292 292 LYS . 18103 2 293 293 GLU . 18103 2 294 294 ILE . 18103 2 295 295 TYR . 18103 2 296 296 THR . 18103 2 297 297 HIS . 18103 2 298 298 PHE . 18103 2 299 299 THR . 18103 2 300 300 CYS . 18103 2 301 301 ALA . 18103 2 302 302 THR . 18103 2 303 303 ASP . 18103 2 304 304 THR . 18103 2 305 305 LYS . 18103 2 306 306 ASN . 18103 2 307 307 VAL . 18103 2 308 308 GLN . 18103 2 309 309 PHE . 18103 2 310 310 VAL . 18103 2 311 311 PHE . 18103 2 312 312 ASP . 18103 2 313 313 ALA . 18103 2 314 314 VAL . 18103 2 315 315 THR . 18103 2 316 316 ASP . 18103 2 317 317 VAL . 18103 2 318 318 ILE . 18103 2 319 319 ILE . 18103 2 320 320 LYS . 18103 2 321 321 ASN . 18103 2 322 322 ASN . 18103 2 323 323 LEU . 18103 2 324 324 LYS . 18103 2 325 325 GLU . 18103 2 326 326 CYS . 18103 2 327 327 GLY . 18103 2 328 328 LEU . 18103 2 329 329 TYR . 18103 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18103 2 . PRO 2 2 18103 2 . ASP 3 3 18103 2 . ASP 4 4 18103 2 . HIS 5 5 18103 2 . ALA 6 6 18103 2 . LYS 7 7 18103 2 . GLU 8 8 18103 2 . VAL 9 9 18103 2 . LYS 10 10 18103 2 . LEU 11 11 18103 2 . LEU 12 12 18103 2 . LEU 13 13 18103 2 . LEU 14 14 18103 2 . GLY 15 15 18103 2 . ALA 16 16 18103 2 . GLY 17 17 18103 2 . GLU 18 18 18103 2 . SER 19 19 18103 2 . GLY 20 20 18103 2 . LYS 21 21 18103 2 . SER 22 22 18103 2 . THR 23 23 18103 2 . ILE 24 24 18103 2 . VAL 25 25 18103 2 . LYS 26 26 18103 2 . GLN 27 27 18103 2 . MET 28 28 18103 2 . LYS 29 29 18103 2 . ILE 30 30 18103 2 . ILE 31 31 18103 2 . HIS 32 32 18103 2 . GLU 33 33 18103 2 . ASP 34 34 18103 2 . GLY 35 35 18103 2 . TYR 36 36 18103 2 . SER 37 37 18103 2 . GLU 38 38 18103 2 . ASP 39 39 18103 2 . GLU 40 40 18103 2 . CYS 41 41 18103 2 . LYS 42 42 18103 2 . GLN 43 43 18103 2 . TYR 44 44 18103 2 . LYS 45 45 18103 2 . VAL 46 46 18103 2 . VAL 47 47 18103 2 . VAL 48 48 18103 2 . TYR 49 49 18103 2 . SER 50 50 18103 2 . ASN 51 51 18103 2 . THR 52 52 18103 2 . ILE 53 53 18103 2 . GLN 54 54 18103 2 . SER 55 55 18103 2 . ILE 56 56 18103 2 . ILE 57 57 18103 2 . ALA 58 58 18103 2 . ILE 59 59 18103 2 . ILE 60 60 18103 2 . ARG 61 61 18103 2 . ALA 62 62 18103 2 . MET 63 63 18103 2 . GLY 64 64 18103 2 . ARG 65 65 18103 2 . LEU 66 66 18103 2 . LYS 67 67 18103 2 . ILE 68 68 18103 2 . ASP 69 69 18103 2 . PHE 70 70 18103 2 . GLY 71 71 18103 2 . GLU 72 72 18103 2 . ALA 73 73 18103 2 . ALA 74 74 18103 2 . ARG 75 75 18103 2 . ALA 76 76 18103 2 . ASP 77 77 18103 2 . ASP 78 78 18103 2 . ALA 79 79 18103 2 . ARG 80 80 18103 2 . GLN 81 81 18103 2 . LEU 82 82 18103 2 . PHE 83 83 18103 2 . VAL 84 84 18103 2 . LEU 85 85 18103 2 . ALA 86 86 18103 2 . GLY 87 87 18103 2 . SER 88 88 18103 2 . ALA 89 89 18103 2 . GLU 90 90 18103 2 . GLU 91 91 18103 2 . GLY 92 92 18103 2 . VAL 93 93 18103 2 . MET 94 94 18103 2 . THR 95 95 18103 2 . PRO 96 96 18103 2 . GLU 97 97 18103 2 . LEU 98 98 18103 2 . ALA 99 99 18103 2 . GLY 100 100 18103 2 . VAL 101 101 18103 2 . ILE 102 102 18103 2 . LYS 103 103 18103 2 . ARG 104 104 18103 2 . LEU 105 105 18103 2 . TRP 106 106 18103 2 . ARG 107 107 18103 2 . ASP 108 108 18103 2 . GLY 109 109 18103 2 . GLY 110 110 18103 2 . VAL 111 111 18103 2 . GLN 112 112 18103 2 . ALA 113 113 18103 2 . CYS 114 114 18103 2 . PHE 115 115 18103 2 . SER 116 116 18103 2 . ARG 117 117 18103 2 . SER 118 118 18103 2 . ARG 119 119 18103 2 . GLU 120 120 18103 2 . TYR 121 121 18103 2 . GLN 122 122 18103 2 . LEU 123 123 18103 2 . ASN 124 124 18103 2 . ASP 125 125 18103 2 . SER 126 126 18103 2 . ALA 127 127 18103 2 . SER 128 128 18103 2 . TYR 129 129 18103 2 . TYR 130 130 18103 2 . LEU 131 131 18103 2 . ASN 132 132 18103 2 . ASP 133 133 18103 2 . LEU 134 134 18103 2 . ASP 135 135 18103 2 . ARG 136 136 18103 2 . ILE 137 137 18103 2 . SER 138 138 18103 2 . GLN 139 139 18103 2 . SER 140 140 18103 2 . ASN 141 141 18103 2 . TYR 142 142 18103 2 . ILE 143 143 18103 2 . PRO 144 144 18103 2 . THR 145 145 18103 2 . GLN 146 146 18103 2 . GLN 147 147 18103 2 . ASP 148 148 18103 2 . VAL 149 149 18103 2 . LEU 150 150 18103 2 . ARG 151 151 18103 2 . THR 152 152 18103 2 . ARG 153 153 18103 2 . VAL 154 154 18103 2 . LYS 155 155 18103 2 . THR 156 156 18103 2 . THR 157 157 18103 2 . GLY 158 158 18103 2 . ILE 159 159 18103 2 . VAL 160 160 18103 2 . GLU 161 161 18103 2 . THR 162 162 18103 2 . HIS 163 163 18103 2 . PHE 164 164 18103 2 . THR 165 165 18103 2 . PHE 166 166 18103 2 . LYS 167 167 18103 2 . ASP 168 168 18103 2 . LEU 169 169 18103 2 . TYR 170 170 18103 2 . PHE 171 171 18103 2 . LYS 172 172 18103 2 . MET 173 173 18103 2 . PHE 174 174 18103 2 . ASP 175 175 18103 2 . VAL 176 176 18103 2 . GLY 177 177 18103 2 . GLY 178 178 18103 2 . GLN 179 179 18103 2 . ARG 180 180 18103 2 . SER 181 181 18103 2 . GLU 182 182 18103 2 . ARG 183 183 18103 2 . LYS 184 184 18103 2 . LYS 185 185 18103 2 . TRP 186 186 18103 2 . ILE 187 187 18103 2 . HIS 188 188 18103 2 . CYS 189 189 18103 2 . PHE 190 190 18103 2 . GLU 191 191 18103 2 . GLY 192 192 18103 2 . VAL 193 193 18103 2 . THR 194 194 18103 2 . ALA 195 195 18103 2 . ILE 196 196 18103 2 . ILE 197 197 18103 2 . PHE 198 198 18103 2 . CYS 199 199 18103 2 . VAL 200 200 18103 2 . ALA 201 201 18103 2 . LEU 202 202 18103 2 . SER 203 203 18103 2 . ASP 204 204 18103 2 . TYR 205 205 18103 2 . ASP 206 206 18103 2 . LEU 207 207 18103 2 . VAL 208 208 18103 2 . LEU 209 209 18103 2 . ALA 210 210 18103 2 . GLU 211 211 18103 2 . ASP 212 212 18103 2 . GLU 213 213 18103 2 . GLU 214 214 18103 2 . MET 215 215 18103 2 . ASN 216 216 18103 2 . ARG 217 217 18103 2 . MET 218 218 18103 2 . HIS 219 219 18103 2 . GLU 220 220 18103 2 . SER 221 221 18103 2 . MET 222 222 18103 2 . LYS 223 223 18103 2 . LEU 224 224 18103 2 . PHE 225 225 18103 2 . ASP 226 226 18103 2 . SER 227 227 18103 2 . ILE 228 228 18103 2 . CYS 229 229 18103 2 . ASN 230 230 18103 2 . ASN 231 231 18103 2 . LYS 232 232 18103 2 . TRP 233 233 18103 2 . PHE 234 234 18103 2 . THR 235 235 18103 2 . GLU 236 236 18103 2 . THR 237 237 18103 2 . SER 238 238 18103 2 . ILE 239 239 18103 2 . ILE 240 240 18103 2 . LEU 241 241 18103 2 . PHE 242 242 18103 2 . LEU 243 243 18103 2 . ASN 244 244 18103 2 . LYS 245 245 18103 2 . LYS 246 246 18103 2 . ASP 247 247 18103 2 . LEU 248 248 18103 2 . PHE 249 249 18103 2 . GLU 250 250 18103 2 . GLU 251 251 18103 2 . LYS 252 252 18103 2 . ILE 253 253 18103 2 . LYS 254 254 18103 2 . ARG 255 255 18103 2 . SER 256 256 18103 2 . PRO 257 257 18103 2 . LEU 258 258 18103 2 . THR 259 259 18103 2 . ILE 260 260 18103 2 . CYS 261 261 18103 2 . TYR 262 262 18103 2 . PRO 263 263 18103 2 . GLU 264 264 18103 2 . TYR 265 265 18103 2 . THR 266 266 18103 2 . GLY 267 267 18103 2 . SER 268 268 18103 2 . ASN 269 269 18103 2 . THR 270 270 18103 2 . TYR 271 271 18103 2 . GLU 272 272 18103 2 . GLU 273 273 18103 2 . ALA 274 274 18103 2 . ALA 275 275 18103 2 . ALA 276 276 18103 2 . TYR 277 277 18103 2 . ILE 278 278 18103 2 . GLN 279 279 18103 2 . CYS 280 280 18103 2 . GLN 281 281 18103 2 . PHE 282 282 18103 2 . GLU 283 283 18103 2 . ASP 284 284 18103 2 . LEU 285 285 18103 2 . ASN 286 286 18103 2 . ARG 287 287 18103 2 . ARG 288 288 18103 2 . LYS 289 289 18103 2 . ASP 290 290 18103 2 . THR 291 291 18103 2 . LYS 292 292 18103 2 . GLU 293 293 18103 2 . ILE 294 294 18103 2 . TYR 295 295 18103 2 . THR 296 296 18103 2 . HIS 297 297 18103 2 . PHE 298 298 18103 2 . THR 299 299 18103 2 . CYS 300 300 18103 2 . ALA 301 301 18103 2 . THR 302 302 18103 2 . ASP 303 303 18103 2 . THR 304 304 18103 2 . LYS 305 305 18103 2 . ASN 306 306 18103 2 . VAL 307 307 18103 2 . GLN 308 308 18103 2 . PHE 309 309 18103 2 . VAL 310 310 18103 2 . PHE 311 311 18103 2 . ASP 312 312 18103 2 . ALA 313 313 18103 2 . VAL 314 314 18103 2 . THR 315 315 18103 2 . ASP 316 316 18103 2 . VAL 317 317 18103 2 . ILE 318 318 18103 2 . ILE 319 319 18103 2 . LYS 320 320 18103 2 . ASN 321 321 18103 2 . ASN 322 322 18103 2 . LEU 323 323 18103 2 . LYS 324 324 18103 2 . GLU 325 325 18103 2 . CYS 326 326 18103 2 . GLY 327 327 18103 2 . LEU 328 328 18103 2 . TYR 329 329 18103 2 stop_ save_ save_GSP _Entity.Sf_category entity _Entity.Sf_framecode GSP _Entity.Entry_ID 18103 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name GSP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GSP _Entity.Nonpolymer_comp_label $chem_comp_GSP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GSP . 18103 3 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 18103 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 18103 4 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 18103 _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 $G_protein_alphai3_subunit . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18103 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 18103 _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 $G_protein_alphai3_subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 codon plus (DE3) RP' . . . . . . . . . . . . . . . pET24d(+) . . . . . . 18103 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GSP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GSP _Chem_comp.Entry_ID 18103 _Chem_comp.ID GSP _Chem_comp.Provenance . _Chem_comp.Name 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code GSP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GSP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O13 P3 S' _Chem_comp.Formula_weight 539.246 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1GIA _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 28 13:44:22 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 18103 GSP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18103 GSP InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 18103 GSP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 18103 GSP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O SMILES CACTVS 3.341 18103 GSP S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 18103 GSP XOFLBQFBSOEHOG-UUOKFMHZSA-N InChIKey InChI 1.03 18103 GSP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18103 GSP 5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 18103 GSP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG . PG . . P . . N 0 . . . . no no . . . . 37.221 . -32.274 . 12.474 . -1.026 -0.484 6.915 1 . 18103 GSP O3B . O3B . . O . . N 0 . . . . no no . . . . 37.514 . -31.584 . 10.994 . -1.015 -1.198 5.472 2 . 18103 GSP S1G . S1G . . S . . N 0 . . . . no no . . . . 38.939 . -32.825 . 13.146 . -1.772 1.216 6.761 3 . 18103 GSP O2G . O2G . . O . . N 0 . . . . no no . . . . 36.396 . -31.275 . 13.244 . -1.900 -1.363 7.942 4 . 18103 GSP O3G . O3G . . O . . N 0 . . . . no no . . . . 36.476 . -33.475 . 12.007 . 0.482 -0.360 7.463 5 . 18103 GSP PB . PB . . P . . S 0 . . . . no no . . . . 36.539 . -30.736 . 10.068 . -0.128 -0.270 4.500 6 . 18103 GSP O1B . O1B . . O . . N 0 . . . . no no . . . . 36.062 . -31.672 . 9.055 . -0.735 1.076 4.415 7 . 18103 GSP O2B . O2B . . O . . N 0 . . . . no no . . . . 35.474 . -29.962 . 10.831 . 1.365 -0.150 5.089 8 . 18103 GSP PA . PA . . P . . S 0 . . . . no no . . . . 37.707 . -28.074 . 9.474 . 0.823 0.046 2.117 9 . 18103 GSP O1A . O1A . . O . . N 0 . . . . no no . . . . 36.469 . -27.480 . 8.953 . 0.201 1.388 2.069 10 . 18103 GSP O2A . O2A . . O . . N 0 . . . . no no . . . . 38.124 . -27.746 . 10.879 . 2.300 0.161 2.746 11 . 18103 GSP O3A . O3A . . O . . N 0 . . . . no no . . . . 37.499 . -29.683 . 9.305 . -0.074 -0.928 3.031 12 . 18103 GSP O5' . O5' . . O . . N 0 . . . . no no . . . . 38.916 . -27.799 . 8.441 . 0.919 -0.554 0.627 13 . 18103 GSP C5' . C5' . . C . . N 0 . . . . no no . . . . 40.290 . -27.982 . 8.746 . 1.724 0.350 -0.131 14 . 18103 GSP C4' . C4' . . C . . R 0 . . . . no no . . . . 41.124 . -26.932 . 8.112 . 1.857 -0.164 -1.566 15 . 18103 GSP O4' . O4' . . O . . N 0 . . . . no no . . . . 40.934 . -26.927 . 6.670 . 0.559 -0.236 -2.196 16 . 18103 GSP C3' . C3' . . C . . S 0 . . . . no no . . . . 40.695 . -25.538 . 8.607 . 2.659 0.836 -2.427 17 . 18103 GSP O3' . O3' . . O . . N 0 . . . . no no . . . . 41.853 . -24.747 . 8.895 . 4.023 0.424 -2.534 18 . 18103 GSP C2' . C2' . . C . . R 0 . . . . no no . . . . 39.943 . -24.929 . 7.393 . 1.965 0.783 -3.809 19 . 18103 GSP O2' . O2' . . O . . N 0 . . . . no no . . . . 40.086 . -23.530 . 7.331 . 2.881 0.339 -4.812 20 . 18103 GSP C1' . C1' . . C . . R 0 . . . . no no . . . . 40.647 . -25.588 . 6.205 . 0.825 -0.240 -3.615 21 . 18103 GSP N9 . N9 . . N . . N 0 . . . . yes no . . . . 39.749 . -25.681 . 5.036 . -0.366 0.176 -4.358 22 . 18103 GSP C8 . C8 . . C . . N 0 . . . . yes no . . . . 38.509 . -26.289 . 4.920 . -1.361 0.989 -3.898 23 . 18103 GSP N7 . N7 . . N . . N 0 . . . . yes no . . . . 37.992 . -26.231 . 3.746 . -2.263 1.148 -4.822 24 . 18103 GSP C5 . C5 . . C . . N 0 . . . . yes no . . . . 39.028 . -25.685 . 2.977 . -1.902 0.451 -5.926 25 . 18103 GSP C6 . C6 . . C . . N 0 . . . . no no . . . . 39.130 . -25.486 . 1.542 . -2.480 0.259 -7.203 26 . 18103 GSP O6 . O6 . . O . . N 0 . . . . no no . . . . 38.359 . -25.823 . 0.637 . -3.539 0.788 -7.495 27 . 18103 GSP N1 . N1 . . N . . N 0 . . . . no no . . . . 40.312 . -24.833 . 1.213 . -1.827 -0.519 -8.093 28 . 18103 GSP C2 . C2 . . C . . N 0 . . . . no no . . . . 41.311 . -24.534 . 2.099 . -0.646 -1.110 -7.754 29 . 18103 GSP N2 . N2 . . N . . N 0 . . . . no no . . . . 42.330 . -23.811 . 1.690 . -0.008 -1.900 -8.677 30 . 18103 GSP N3 . N3 . . N . . N 0 . . . . no no . . . . 41.260 . -24.824 . 3.393 . -0.098 -0.940 -6.572 31 . 18103 GSP C4 . C4 . . C . . N 0 . . . . yes no . . . . 40.065 . -25.317 . 3.772 . -0.685 -0.177 -5.641 32 . 18103 GSP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 36.228 . -31.670 . 14.091 . -1.880 -0.901 8.791 33 . 18103 GSP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 36.308 . -33.870 . 12.854 . 0.831 -1.260 7.528 34 . 18103 GSP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 34.891 . -29.455 . 10.277 . 1.723 -1.047 5.128 35 . 18103 GSP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 38.924 . -28.130 . 11.216 . 2.669 -0.732 2.759 36 . 18103 GSP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 40.462 . -28.033 . 9.846 . 2.713 0.423 0.321 37 . 18103 GSP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 40.638 . -29.004 . 8.470 . 1.255 1.334 -0.140 38 . 18103 GSP H4' . H4' . . H . . N 0 . . . . no no . . . . 42.184 . -27.151 . 8.376 . 2.337 -1.142 -1.574 39 . 18103 GSP H3' . H3' . . H . . N 0 . . . . no no . . . . 40.075 . -25.578 . 9.533 . 2.596 1.839 -2.005 40 . 18103 GSP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 41.588 . -23.887 . 9.200 . 4.472 1.083 -3.080 41 . 18103 GSP H2' . H2' . . H . . N 0 . . . . no no . . . . 38.843 . -25.108 . 7.433 . 1.559 1.760 -4.070 42 . 18103 GSP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 39.625 . -23.157 . 6.588 . 3.598 0.987 -4.842 43 . 18103 GSP H1' . H1' . . H . . N 0 . . . . no no . . . . 41.546 . -25.010 . 5.887 . 1.146 -1.230 -3.938 44 . 18103 GSP H8 . H8 . . H . . N 0 . . . . no no . . . . 37.956 . -26.797 . 5.728 . -1.395 1.433 -2.914 45 . 18103 GSP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 40.458 . -24.550 . 0.243 . -2.204 -0.665 -8.975 46 . 18103 GSP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 43.074 . -23.588 . 2.350 . 0.834 -2.324 -8.451 47 . 18103 GSP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 41.976 . -22.942 . 1.288 . -0.401 -2.039 -9.552 48 . 18103 GSP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING PG O3B no N 1 . 18103 GSP 2 . DOUB PG S1G no N 2 . 18103 GSP 3 . SING PG O2G no N 3 . 18103 GSP 4 . SING PG O3G no N 4 . 18103 GSP 5 . SING O3B PB no N 5 . 18103 GSP 6 . SING O2G HOG2 no N 6 . 18103 GSP 7 . SING O3G HOG3 no N 7 . 18103 GSP 8 . DOUB PB O1B no N 8 . 18103 GSP 9 . SING PB O2B no N 9 . 18103 GSP 10 . SING PB O3A no N 10 . 18103 GSP 11 . SING O2B HOB2 no N 11 . 18103 GSP 12 . DOUB PA O1A no N 12 . 18103 GSP 13 . SING PA O2A no N 13 . 18103 GSP 14 . SING PA O3A no N 14 . 18103 GSP 15 . SING PA O5' no N 15 . 18103 GSP 16 . SING O2A HOA2 no N 16 . 18103 GSP 17 . SING O5' C5' no N 17 . 18103 GSP 18 . SING C5' C4' no N 18 . 18103 GSP 19 . SING C5' H5'1 no N 19 . 18103 GSP 20 . SING C5' H5'2 no N 20 . 18103 GSP 21 . SING C4' O4' no N 21 . 18103 GSP 22 . SING C4' C3' no N 22 . 18103 GSP 23 . SING C4' H4' no N 23 . 18103 GSP 24 . SING O4' C1' no N 24 . 18103 GSP 25 . SING C3' O3' no N 25 . 18103 GSP 26 . SING C3' C2' no N 26 . 18103 GSP 27 . SING C3' H3' no N 27 . 18103 GSP 28 . SING O3' HO3' no N 28 . 18103 GSP 29 . SING C2' O2' no N 29 . 18103 GSP 30 . SING C2' C1' no N 30 . 18103 GSP 31 . SING C2' H2' no N 31 . 18103 GSP 32 . SING O2' HO2' no N 32 . 18103 GSP 33 . SING C1' N9 no N 33 . 18103 GSP 34 . SING C1' H1' no N 34 . 18103 GSP 35 . SING N9 C8 yes N 35 . 18103 GSP 36 . SING N9 C4 yes N 36 . 18103 GSP 37 . DOUB C8 N7 yes N 37 . 18103 GSP 38 . SING C8 H8 no N 38 . 18103 GSP 39 . SING N7 C5 yes N 39 . 18103 GSP 40 . SING C5 C6 no N 40 . 18103 GSP 41 . DOUB C5 C4 yes N 41 . 18103 GSP 42 . DOUB C6 O6 no N 42 . 18103 GSP 43 . SING C6 N1 no N 43 . 18103 GSP 44 . SING N1 C2 no N 44 . 18103 GSP 45 . SING N1 HN1 no N 45 . 18103 GSP 46 . SING C2 N2 no N 46 . 18103 GSP 47 . DOUB C2 N3 no N 47 . 18103 GSP 48 . SING N2 HN21 no N 48 . 18103 GSP 49 . SING N2 HN22 no N 49 . 18103 GSP 50 . SING N3 C4 no N 50 . 18103 GSP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 18103 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 28 13:46:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 18103 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 18103 MG [Mg++] SMILES CACTVS 3.341 18103 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 18103 MG [Mg+2] SMILES ACDLabs 10.04 18103 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 18103 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18103 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 18103 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18103 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18103 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18103 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 G_protein_alphai3_subunit '[U-13C; U-15N; U-2H]' . . 1 $G_protein_alphai3_subunit . . 0.3 . . mM . . . . 18103 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 18103 1 3 MgCl2 'natural abundance' . . . . . . 10 . . mM . . . . 18103 1 4 GSP 'natural abundance' . . 3 $GSP . . 0.8 . . mM . . . . 18103 1 5 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 18103 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18103 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18103 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18103 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 deltaN-G_protein_alphai3_subunit '[U-13C; U-15N; 2H]' . . 2 $deltaN-G_protein_alphai3_subunit . . 0.3 . . mM . . . . 18103 2 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 18103 2 3 MgCl2 'natural abundance' . . . . . . 10 . . mM . . . . 18103 2 4 GSP 'natural abundance' . . 3 $GSP . . 0.8 . . mM . . . . 18103 2 5 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 18103 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18103 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18103 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18103 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 deltaN-G_protein_alphai3_subunit '[U-13C; U-15N; 50%-2H]' . . 2 $deltaN-G_protein_alphai3_subunit . . 0.3 . . mM . . . . 18103 3 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 18103 3 3 MgCl2 'natural abundance' . . . . . . 10 . . mM . . . . 18103 3 4 GSP 'natural abundance' . . 3 $GSP . . 0.3 . . mM . . . . 18103 3 5 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 18103 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18103 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18103 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18103 _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 6.5 . pH 18103 1 temperature 303 . K 18103 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18103 _Software.ID 1 _Software.Name TOPSPIN _Software.Version v2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18103 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18103 1 processing 18103 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18103 _Software.ID 2 _Software.Name CARA _Software.Version v1.8.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 18103 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18103 2 'data analysis' 18103 2 'peak picking' 18103 2 stop_ save_ save_Rowland_NMR_Toolkit_Script_Generator _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit_Script_Generator _Software.Entry_ID 18103 _Software.ID 3 _Software.Name 'Rowland NMR Toolkit' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Mobli M, Maciejewski MW, Gryk MR, Hoch JC' . . 18103 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18103 3 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 18103 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'The cryo probe is equipped with this spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18103 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'The cryo probe is equipped with this spectrometer' _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 18103 _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 . 500 'The cryo probe is equipped with this spectrometer' . . 18103 1 2 spectrometer_2 Bruker Avance . 600 'The cryo probe is equipped with this spectrometer' . . 18103 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 18103 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 8 '3D 15N-edited NOESY-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 9 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 10 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 11 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 12 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 13 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 14 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 15 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 16 '3D 15N-edited NOESY-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 17 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 18 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 19 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 20 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 21 '3D HN(COCA)CB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 22 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 23 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 1 24 '3D 15N-edited NOESY-TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18103 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 18103 _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 -2.698 internal indirect 0.251449530 . . . . . . . . . 18103 1 H 1 DSS 'methyl protons' . . . . ppm -0.02992 internal direct 1.000000000 . . . . . . . . . 18103 1 N 15 DSS 'methyl protons' . . . . ppm -0.05215 internal indirect 0.101329118 . . . . . . . . . 18103 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 18103 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY-HSQC' . . . 18103 1 2 '3D HNCA' . . . 18103 1 3 '3D HN(CO)CA' . . . 18103 1 4 '3D HNCACB' . . . 18103 1 5 '3D HN(COCA)CB' . . . 18103 1 6 '3D HNCO' . . . 18103 1 7 '3D HN(CA)CO' . . . 18103 1 8 '3D 15N-edited NOESY-TROSY' . . . 18103 1 9 '2D 1H-15N TROSY-HSQC' . . . 18103 1 10 '3D HNCA' . . . 18103 1 11 '3D HN(CO)CA' . . . 18103 1 12 '3D HNCACB' . . . 18103 1 13 '3D HN(COCA)CB' . . . 18103 1 14 '3D HNCO' . . . 18103 1 15 '3D HN(CA)CO' . . . 18103 1 16 '3D 15N-edited NOESY-TROSY' . . . 18103 1 17 '2D 1H-15N TROSY-HSQC' . . . 18103 1 18 '3D HNCA' . . . 18103 1 19 '3D HN(CO)CA' . . . 18103 1 20 '3D HNCACB' . . . 18103 1 21 '3D HN(COCA)CB' . . . 18103 1 22 '3D HNCO' . . . 18103 1 23 '3D HN(CA)CO' . . . 18103 1 24 '3D 15N-edited NOESY-TROSY' . . . 18103 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP H H 1 8.382 0.007 . 1 . . . . -3 ASP H . 18103 1 2 . 1 1 3 3 ASP C C 13 176.0364 0.15 . 1 . . . . -3 ASP C . 18103 1 3 . 1 1 3 3 ASP CA C 13 53.8984 0.3 . 1 . . . . -3 ASP CA . 18103 1 4 . 1 1 3 3 ASP CB C 13 40.2014 0.3 . 1 . . . . -3 ASP CB . 18103 1 5 . 1 1 3 3 ASP N N 15 119.419 0.23 . 1 . . . . -3 ASP N . 18103 1 6 . 1 1 4 4 ASP H H 1 7.772 0.007 . 1 . . . . -2 ASP H . 18103 1 7 . 1 1 4 4 ASP C C 13 176.2194 0.15 . 1 . . . . -2 ASP C . 18103 1 8 . 1 1 4 4 ASP CA C 13 54.2184 0.3 . 1 . . . . -2 ASP CA . 18103 1 9 . 1 1 4 4 ASP CB C 13 40.3284 0.3 . 1 . . . . -2 ASP CB . 18103 1 10 . 1 1 4 4 ASP N N 15 120.991 0.23 . 1 . . . . -2 ASP N . 18103 1 11 . 1 1 5 5 HIS H H 1 8.271 0.007 . 1 . . . . -1 HIS H . 18103 1 12 . 1 1 5 5 HIS CA C 13 55.5434 0.3 . 1 . . . . -1 HIS CA . 18103 1 13 . 1 1 5 5 HIS N N 15 119.354 0.23 . 1 . . . . -1 HIS N . 18103 1 14 . 1 1 6 6 MET H H 1 8.201 0.007 . 1 . . . . 1 MET H . 18103 1 15 . 1 1 6 6 MET C C 13 176.9374 0.15 . 1 . . . . 1 MET C . 18103 1 16 . 1 1 6 6 MET CA C 13 55.4644 0.3 . 1 . . . . 1 MET CA . 18103 1 17 . 1 1 6 6 MET CB C 13 31.6114 0.3 . 1 . . . . 1 MET CB . 18103 1 18 . 1 1 6 6 MET N N 15 121.677 0.23 . 1 . . . . 1 MET N . 18103 1 19 . 1 1 7 7 GLY H H 1 8.345 0.007 . 1 . . . . 2 GLY H . 18103 1 20 . 1 1 7 7 GLY C C 13 174.1094 0.15 . 1 . . . . 2 GLY C . 18103 1 21 . 1 1 7 7 GLY CA C 13 45.0054 0.3 . 1 . . . . 2 GLY CA . 18103 1 22 . 1 1 7 7 GLY N N 15 110.964 0.23 . 1 . . . . 2 GLY N . 18103 1 23 . 1 1 8 8 CYS H H 1 8.106 0.007 . 1 . . . . 3 CYS H . 18103 1 24 . 1 1 8 8 CYS C C 13 175.0224 0.15 . 1 . . . . 3 CYS C . 18103 1 25 . 1 1 8 8 CYS CA C 13 58.1284 0.3 . 1 . . . . 3 CYS CA . 18103 1 26 . 1 1 8 8 CYS CB C 13 27.8594 0.3 . 1 . . . . 3 CYS CB . 18103 1 27 . 1 1 8 8 CYS N N 15 119.89 0.23 . 1 . . . . 3 CYS N . 18103 1 28 . 1 1 9 9 THR H H 1 8.233 0.007 . 1 . . . . 4 THR H . 18103 1 29 . 1 1 9 9 THR C C 13 174.3964 0.15 . 1 . . . . 4 THR C . 18103 1 30 . 1 1 9 9 THR CA C 13 61.7174 0.3 . 1 . . . . 4 THR CA . 18103 1 31 . 1 1 9 9 THR CB C 13 69.0954 0.3 . 1 . . . . 4 THR CB . 18103 1 32 . 1 1 9 9 THR N N 15 118.481 0.23 . 1 . . . . 4 THR N . 18103 1 33 . 1 1 10 10 LEU H H 1 8.141 0.007 . 1 . . . . 5 LEU H . 18103 1 34 . 1 1 10 10 LEU C C 13 177.3124 0.15 . 1 . . . . 5 LEU C . 18103 1 35 . 1 1 10 10 LEU CA C 13 54.7024 0.3 . 1 . . . . 5 LEU CA . 18103 1 36 . 1 1 10 10 LEU CB C 13 41.5824 0.3 . 1 . . . . 5 LEU CB . 18103 1 37 . 1 1 10 10 LEU N N 15 126.067 0.23 . 1 . . . . 5 LEU N . 18103 1 38 . 1 1 11 11 SER H H 1 8.53 0.007 . 1 . . . . 6 SER H . 18103 1 39 . 1 1 11 11 SER C C 13 174.5534 0.15 . 1 . . . . 6 SER C . 18103 1 40 . 1 1 11 11 SER CA C 13 57.5304 0.3 . 1 . . . . 6 SER CA . 18103 1 41 . 1 1 11 11 SER CB C 13 63.7534 0.3 . 1 . . . . 6 SER CB . 18103 1 42 . 1 1 11 11 SER N N 15 118.94 0.23 . 1 . . . . 6 SER N . 18103 1 43 . 1 1 12 12 ALA H H 1 8.46 0.007 . 1 . . . . 7 ALA H . 18103 1 44 . 1 1 12 12 ALA C C 13 179.0974 0.15 . 1 . . . . 7 ALA C . 18103 1 45 . 1 1 12 12 ALA CA C 13 53.3564 0.3 . 1 . . . . 7 ALA CA . 18103 1 46 . 1 1 12 12 ALA CB C 13 17.9994 0.3 . 1 . . . . 7 ALA CB . 18103 1 47 . 1 1 12 12 ALA N N 15 126.41 0.23 . 1 . . . . 7 ALA N . 18103 1 48 . 1 1 13 13 GLU H H 1 8.371 0.007 . 1 . . . . 8 GLU H . 18103 1 49 . 1 1 13 13 GLU C C 13 177.3754 0.15 . 1 . . . . 8 GLU C . 18103 1 50 . 1 1 13 13 GLU CA C 13 57.4154 0.3 . 1 . . . . 8 GLU CA . 18103 1 51 . 1 1 13 13 GLU CB C 13 28.9844 0.3 . 1 . . . . 8 GLU CB . 18103 1 52 . 1 1 13 13 GLU N N 15 120.086 0.23 . 1 . . . . 8 GLU N . 18103 1 53 . 1 1 14 14 ASP H H 1 8.032 0.007 . 1 . . . . 9 ASP H . 18103 1 54 . 1 1 14 14 ASP C C 13 177.4204 0.15 . 1 . . . . 9 ASP C . 18103 1 55 . 1 1 14 14 ASP CA C 13 54.9394 0.3 . 1 . . . . 9 ASP CA . 18103 1 56 . 1 1 14 14 ASP CB C 13 40.1694 0.3 . 1 . . . . 9 ASP CB . 18103 1 57 . 1 1 14 14 ASP N N 15 122.824 0.23 . 1 . . . . 9 ASP N . 18103 1 58 . 1 1 15 15 LYS H H 1 8.186 0.007 . 1 . . . . 10 LYS H . 18103 1 59 . 1 1 15 15 LYS C C 13 177.6334 0.15 . 1 . . . . 10 LYS C . 18103 1 60 . 1 1 15 15 LYS CA C 13 57.6314 0.3 . 1 . . . . 10 LYS CA . 18103 1 61 . 1 1 15 15 LYS CB C 13 31.5384 0.3 . 1 . . . . 10 LYS CB . 18103 1 62 . 1 1 15 15 LYS N N 15 122.82 0.23 . 1 . . . . 10 LYS N . 18103 1 63 . 1 1 16 16 ALA H H 1 7.978 0.007 . 1 . . . . 11 ALA H . 18103 1 64 . 1 1 16 16 ALA C C 13 178.9014 0.15 . 1 . . . . 11 ALA C . 18103 1 65 . 1 1 16 16 ALA CA C 13 53.2104 0.3 . 1 . . . . 11 ALA CA . 18103 1 66 . 1 1 16 16 ALA CB C 13 17.7484 0.3 . 1 . . . . 11 ALA CB . 18103 1 67 . 1 1 16 16 ALA N N 15 123.458 0.23 . 1 . . . . 11 ALA N . 18103 1 68 . 1 1 17 17 ALA H H 1 7.805 0.007 . 1 . . . . 12 ALA H . 18103 1 69 . 1 1 17 17 ALA C C 13 179.3924 0.15 . 1 . . . . 12 ALA C . 18103 1 70 . 1 1 17 17 ALA CA C 13 53.3424 0.3 . 1 . . . . 12 ALA CA . 18103 1 71 . 1 1 17 17 ALA CB C 13 17.7234 0.3 . 1 . . . . 12 ALA CB . 18103 1 72 . 1 1 17 17 ALA N N 15 122.889 0.23 . 1 . . . . 12 ALA N . 18103 1 73 . 1 1 18 18 VAL H H 1 7.79 0.007 . 1 . . . . 13 VAL H . 18103 1 74 . 1 1 18 18 VAL C C 13 177.7554 0.15 . 1 . . . . 13 VAL C . 18103 1 75 . 1 1 18 18 VAL CA C 13 63.6994 0.3 . 1 . . . . 13 VAL CA . 18103 1 76 . 1 1 18 18 VAL CB C 13 31.3204 0.3 . 1 . . . . 13 VAL CB . 18103 1 77 . 1 1 18 18 VAL N N 15 120.076 0.23 . 1 . . . . 13 VAL N . 18103 1 78 . 1 1 19 19 GLU H H 1 8.097 0.007 . 1 . . . . 14 GLU H . 18103 1 79 . 1 1 19 19 GLU C C 13 177.8964 0.15 . 1 . . . . 14 GLU C . 18103 1 80 . 1 1 19 19 GLU CA C 13 57.3854 0.3 . 1 . . . . 14 GLU CA . 18103 1 81 . 1 1 19 19 GLU CB C 13 28.8644 0.3 . 1 . . . . 14 GLU CB . 18103 1 82 . 1 1 19 19 GLU N N 15 123.178 0.23 . 1 . . . . 14 GLU N . 18103 1 83 . 1 1 20 20 ARG H H 1 8.072 0.007 . 1 . . . . 15 ARG H . 18103 1 84 . 1 1 20 20 ARG C C 13 177.6224 0.15 . 1 . . . . 15 ARG C . 18103 1 85 . 1 1 20 20 ARG CA C 13 57.2854 0.3 . 1 . . . . 15 ARG CA . 18103 1 86 . 1 1 20 20 ARG CB C 13 29.2914 0.3 . 1 . . . . 15 ARG CB . 18103 1 87 . 1 1 20 20 ARG N N 15 121.586 0.23 . 1 . . . . 15 ARG N . 18103 1 88 . 1 1 21 21 SER H H 1 8.007 0.007 . 1 . . . . 16 SER H . 18103 1 89 . 1 1 21 21 SER C C 13 175.1064 0.15 . 1 . . . . 16 SER C . 18103 1 90 . 1 1 21 21 SER CA C 13 59.3834 0.3 . 1 . . . . 16 SER CA . 18103 1 91 . 1 1 21 21 SER CB C 13 62.9044 0.3 . 1 . . . . 16 SER CB . 18103 1 92 . 1 1 21 21 SER N N 15 116.45 0.23 . 1 . . . . 16 SER N . 18103 1 93 . 1 1 22 22 LYS H H 1 7.865 0.007 . 1 . . . . 17 LYS H . 18103 1 94 . 1 1 22 22 LYS C C 13 176.9864 0.15 . 1 . . . . 17 LYS C . 18103 1 95 . 1 1 22 22 LYS CA C 13 56.5444 0.3 . 1 . . . . 17 LYS CA . 18103 1 96 . 1 1 22 22 LYS CB C 13 31.7334 0.3 . 1 . . . . 17 LYS CB . 18103 1 97 . 1 1 22 22 LYS N N 15 122.855 0.23 . 1 . . . . 17 LYS N . 18103 1 98 . 1 1 23 23 MET H H 1 7.923 0.007 . 1 . . . . 18 MET H . 18103 1 99 . 1 1 23 23 MET C C 13 176.4504 0.15 . 1 . . . . 18 MET C . 18103 1 100 . 1 1 23 23 MET CA C 13 55.5874 0.3 . 1 . . . . 18 MET CA . 18103 1 101 . 1 1 23 23 MET CB C 13 31.8374 0.3 . 1 . . . . 18 MET CB . 18103 1 102 . 1 1 23 23 MET N N 15 121.079 0.23 . 1 . . . . 18 MET N . 18103 1 103 . 1 1 24 24 ILE H H 1 7.847 0.007 . 1 . . . . 19 ILE H . 18103 1 104 . 1 1 24 24 ILE C C 13 176.1334 0.15 . 1 . . . . 19 ILE C . 18103 1 105 . 1 1 24 24 ILE CA C 13 61.1954 0.3 . 1 . . . . 19 ILE CA . 18103 1 106 . 1 1 24 24 ILE CB C 13 37.6614 0.3 . 1 . . . . 19 ILE CB . 18103 1 107 . 1 1 24 24 ILE N N 15 122.16 0.23 . 1 . . . . 19 ILE N . 18103 1 108 . 1 1 25 25 ASP H H 1 8.167 0.007 . 1 . . . . 20 ASP H . 18103 1 109 . 1 1 25 25 ASP C C 13 176.6084 0.15 . 1 . . . . 20 ASP C . 18103 1 110 . 1 1 25 25 ASP CA C 13 54.2544 0.3 . 1 . . . . 20 ASP CA . 18103 1 111 . 1 1 25 25 ASP CB C 13 40.4394 0.3 . 1 . . . . 20 ASP CB . 18103 1 112 . 1 1 25 25 ASP N N 15 124.653 0.23 . 1 . . . . 20 ASP N . 18103 1 113 . 1 1 26 26 ARG H H 1 8.121 0.007 . 1 . . . . 21 ARG H . 18103 1 114 . 1 1 26 26 ARG C C 13 176.3964 0.15 . 1 . . . . 21 ARG C . 18103 1 115 . 1 1 26 26 ARG CA C 13 56.2304 0.3 . 1 . . . . 21 ARG CA . 18103 1 116 . 1 1 26 26 ARG CB C 13 29.4214 0.3 . 1 . . . . 21 ARG CB . 18103 1 117 . 1 1 26 26 ARG N N 15 122.638 0.23 . 1 . . . . 21 ARG N . 18103 1 118 . 1 1 27 27 ASN H H 1 8.372 0.007 . 1 . . . . 22 ASN H . 18103 1 119 . 1 1 27 27 ASN C C 13 175.3174 0.15 . 1 . . . . 22 ASN C . 18103 1 120 . 1 1 27 27 ASN CA C 13 53.3774 0.3 . 1 . . . . 22 ASN CA . 18103 1 121 . 1 1 27 27 ASN CB C 13 37.9414 0.3 . 1 . . . . 22 ASN CB . 18103 1 122 . 1 1 27 27 ASN N N 15 119.789 0.23 . 1 . . . . 22 ASN N . 18103 1 123 . 1 1 28 28 LEU H H 1 7.919 0.007 . 1 . . . . 23 LEU H . 18103 1 124 . 1 1 28 28 LEU C C 13 177.4204 0.15 . 1 . . . . 23 LEU C . 18103 1 125 . 1 1 28 28 LEU CA C 13 55.0904 0.3 . 1 . . . . 23 LEU CA . 18103 1 126 . 1 1 28 28 LEU CB C 13 41.1004 0.3 . 1 . . . . 23 LEU CB . 18103 1 127 . 1 1 28 28 LEU N N 15 122.873 0.23 . 1 . . . . 23 LEU N . 18103 1 128 . 1 1 29 29 ARG H H 1 8.086 0.007 . 1 . . . . 24 ARG H . 18103 1 129 . 1 1 29 29 ARG C C 13 176.6624 0.15 . 1 . . . . 24 ARG C . 18103 1 130 . 1 1 29 29 ARG CA C 13 55.7724 0.3 . 1 . . . . 24 ARG CA . 18103 1 131 . 1 1 29 29 ARG CB C 13 29.5724 0.3 . 1 . . . . 24 ARG CB . 18103 1 132 . 1 1 29 29 ARG N N 15 122.129 0.23 . 1 . . . . 24 ARG N . 18103 1 133 . 1 1 30 30 GLU H H 1 8.368 0.007 . 1 . . . . 25 GLU H . 18103 1 134 . 1 1 30 30 GLU C C 13 176.4824 0.15 . 1 . . . . 25 GLU C . 18103 1 135 . 1 1 30 30 GLU CA C 13 56.3724 0.3 . 1 . . . . 25 GLU CA . 18103 1 136 . 1 1 30 30 GLU CB C 13 29.3534 0.3 . 1 . . . . 25 GLU CB . 18103 1 137 . 1 1 30 30 GLU N N 15 122.966 0.23 . 1 . . . . 25 GLU N . 18103 1 138 . 1 1 31 31 ASP H H 1 8.223 0.007 . 1 . . . . 26 ASP H . 18103 1 139 . 1 1 31 31 ASP C C 13 176.9384 0.15 . 1 . . . . 26 ASP C . 18103 1 140 . 1 1 31 31 ASP CA C 13 54.1944 0.3 . 1 . . . . 26 ASP CA . 18103 1 141 . 1 1 31 31 ASP CB C 13 40.4124 0.3 . 1 . . . . 26 ASP CB . 18103 1 142 . 1 1 31 31 ASP N N 15 121.667 0.23 . 1 . . . . 26 ASP N . 18103 1 143 . 1 1 32 32 GLY H H 1 8.135 0.007 . 1 . . . . 27 GLY H . 18103 1 144 . 1 1 32 32 GLY C C 13 174.3774 0.15 . 1 . . . . 27 GLY C . 18103 1 145 . 1 1 32 32 GLY CA C 13 45.0614 0.3 . 1 . . . . 27 GLY CA . 18103 1 146 . 1 1 32 32 GLY N N 15 109.904 0.23 . 1 . . . . 27 GLY N . 18103 1 147 . 1 1 33 33 GLU H H 1 8.083 0.007 . 1 . . . . 28 GLU H . 18103 1 148 . 1 1 33 33 GLU C C 13 176.6704 0.15 . 1 . . . . 28 GLU C . 18103 1 149 . 1 1 33 33 GLU CA C 13 56.1394 0.3 . 1 . . . . 28 GLU CA . 18103 1 150 . 1 1 33 33 GLU CB C 13 29.3504 0.3 . 1 . . . . 28 GLU CB . 18103 1 151 . 1 1 33 33 GLU N N 15 121.726 0.23 . 1 . . . . 28 GLU N . 18103 1 152 . 1 1 34 34 LYS H H 1 8.118 0.007 . 1 . . . . 29 LYS H . 18103 1 153 . 1 1 34 34 LYS C C 13 176.3244 0.15 . 1 . . . . 29 LYS C . 18103 1 154 . 1 1 34 34 LYS CA C 13 55.9164 0.3 . 1 . . . . 29 LYS CA . 18103 1 155 . 1 1 34 34 LYS CB C 13 31.8094 0.3 . 1 . . . . 29 LYS CB . 18103 1 156 . 1 1 34 34 LYS N N 15 122.963 0.23 . 1 . . . . 29 LYS N . 18103 1 157 . 1 1 35 35 ALA H H 1 8.054 0.007 . 1 . . . . 30 ALA H . 18103 1 158 . 1 1 35 35 ALA C C 13 177.3764 0.15 . 1 . . . . 30 ALA C . 18103 1 159 . 1 1 35 35 ALA CA C 13 51.8724 0.3 . 1 . . . . 30 ALA CA . 18103 1 160 . 1 1 35 35 ALA CB C 13 18.5584 0.3 . 1 . . . . 30 ALA CB . 18103 1 161 . 1 1 35 35 ALA N N 15 125.933 0.23 . 1 . . . . 30 ALA N . 18103 1 162 . 1 1 36 36 ALA H H 1 8.021 0.007 . 1 . . . . 31 ALA H . 18103 1 163 . 1 1 36 36 ALA C C 13 177.6134 0.15 . 1 . . . . 31 ALA C . 18103 1 164 . 1 1 36 36 ALA CA C 13 52.0974 0.3 . 1 . . . . 31 ALA CA . 18103 1 165 . 1 1 36 36 ALA CB C 13 18.6734 0.3 . 1 . . . . 31 ALA CB . 18103 1 166 . 1 1 36 36 ALA N N 15 124.249 0.23 . 1 . . . . 31 ALA N . 18103 1 167 . 1 1 37 37 LYS H H 1 8.032 0.007 . 1 . . . . 32 LYS H . 18103 1 168 . 1 1 37 37 LYS C C 13 174.9304 0.15 . 1 . . . . 32 LYS C . 18103 1 169 . 1 1 37 37 LYS CA C 13 55.3864 0.3 . 1 . . . . 32 LYS CA . 18103 1 170 . 1 1 37 37 LYS CB C 13 31.9304 0.3 . 1 . . . . 32 LYS CB . 18103 1 171 . 1 1 37 37 LYS N N 15 121.473 0.23 . 1 . . . . 32 LYS N . 18103 1 172 . 1 1 38 38 GLU H H 1 7.959 0.007 . 1 . . . . 33 GLU H . 18103 1 173 . 1 1 38 38 GLU C C 13 175.9844 0.15 . 1 . . . . 33 GLU C . 18103 1 174 . 1 1 38 38 GLU CA C 13 54.9524 0.3 . 1 . . . . 33 GLU CA . 18103 1 175 . 1 1 38 38 GLU CB C 13 31.0434 0.3 . 1 . . . . 33 GLU CB . 18103 1 176 . 1 1 38 38 GLU N N 15 123.021 0.23 . 1 . . . . 33 GLU N . 18103 1 177 . 1 1 39 39 VAL H H 1 8.68 0.007 . 1 . . . . 34 VAL H . 18103 1 178 . 1 1 39 39 VAL C C 13 173.5064 0.15 . 1 . . . . 34 VAL C . 18103 1 179 . 1 1 39 39 VAL CA C 13 60.1934 0.3 . 1 . . . . 34 VAL CA . 18103 1 180 . 1 1 39 39 VAL CB C 13 33.5504 0.3 . 1 . . . . 34 VAL CB . 18103 1 181 . 1 1 39 39 VAL N N 15 123.971 0.23 . 1 . . . . 34 VAL N . 18103 1 182 . 1 1 40 40 LYS H H 1 8.582 0.007 . 1 . . . . 35 LYS H . 18103 1 183 . 1 1 40 40 LYS C C 13 174.8444 0.15 . 1 . . . . 35 LYS C . 18103 1 184 . 1 1 40 40 LYS CA C 13 55.1614 0.3 . 1 . . . . 35 LYS CA . 18103 1 185 . 1 1 40 40 LYS CB C 13 32.9484 0.3 . 1 . . . . 35 LYS CB . 18103 1 186 . 1 1 40 40 LYS N N 15 127.721 0.23 . 1 . . . . 35 LYS N . 18103 1 187 . 1 1 41 41 LEU H H 1 9.342 0.007 . 1 . . . . 36 LEU H . 18103 1 188 . 1 1 41 41 LEU C C 13 176.0484 0.15 . 1 . . . . 36 LEU C . 18103 1 189 . 1 1 41 41 LEU CA C 13 52.7424 0.3 . 1 . . . . 36 LEU CA . 18103 1 190 . 1 1 41 41 LEU CB C 13 45.5124 0.3 . 1 . . . . 36 LEU CB . 18103 1 191 . 1 1 41 41 LEU N N 15 131.779 0.23 . 1 . . . . 36 LEU N . 18103 1 192 . 1 1 42 42 LEU H H 1 8.128 0.007 . 1 . . . . 37 LEU H . 18103 1 193 . 1 1 42 42 LEU C C 13 173.9354 0.15 . 1 . . . . 37 LEU C . 18103 1 194 . 1 1 42 42 LEU CA C 13 53.1194 0.3 . 1 . . . . 37 LEU CA . 18103 1 195 . 1 1 42 42 LEU CB C 13 44.4394 0.3 . 1 . . . . 37 LEU CB . 18103 1 196 . 1 1 42 42 LEU N N 15 126.606 0.23 . 1 . . . . 37 LEU N . 18103 1 197 . 1 1 43 43 LEU H H 1 8.356 0.007 . 1 . . . . 38 LEU H . 18103 1 198 . 1 1 43 43 LEU C C 13 173.4794 0.15 . 1 . . . . 38 LEU C . 18103 1 199 . 1 1 43 43 LEU CA C 13 53.3124 0.3 . 1 . . . . 38 LEU CA . 18103 1 200 . 1 1 43 43 LEU N N 15 128.789 0.23 . 1 . . . . 38 LEU N . 18103 1 201 . 1 1 44 44 LEU H H 1 8.037 0.007 . 1 . . . . 39 LEU H . 18103 1 202 . 1 1 44 44 LEU C C 13 180.6024 0.15 . 1 . . . . 39 LEU C . 18103 1 203 . 1 1 44 44 LEU CB C 13 40.9844 0.3 . 1 . . . . 39 LEU CB . 18103 1 204 . 1 1 44 44 LEU N N 15 115.625 0.23 . 1 . . . . 39 LEU N . 18103 1 205 . 1 1 45 45 GLY C C 13 173.3644 0.15 . 1 . . . . 40 GLY C . 18103 1 206 . 1 1 45 45 GLY CA C 13 43.1544 0.3 . 1 . . . . 40 GLY CA . 18103 1 207 . 1 1 46 46 ALA H H 1 9.751 0.007 . 1 . . . . 41 ALA H . 18103 1 208 . 1 1 46 46 ALA C C 13 177.7504 0.15 . 1 . . . . 41 ALA C . 18103 1 209 . 1 1 46 46 ALA CA C 13 51.4364 0.3 . 1 . . . . 41 ALA CA . 18103 1 210 . 1 1 46 46 ALA CB C 13 18.4274 0.3 . 1 . . . . 41 ALA CB . 18103 1 211 . 1 1 46 46 ALA N N 15 125.16 0.23 . 1 . . . . 41 ALA N . 18103 1 212 . 1 1 47 47 GLY H H 1 8.569 0.007 . 1 . . . . 42 GLY H . 18103 1 213 . 1 1 47 47 GLY C C 13 174.8754 0.15 . 1 . . . . 42 GLY C . 18103 1 214 . 1 1 47 47 GLY CA C 13 47.0714 0.3 . 1 . . . . 42 GLY CA . 18103 1 215 . 1 1 47 47 GLY N N 15 111.583 0.23 . 1 . . . . 42 GLY N . 18103 1 216 . 1 1 48 48 GLU H H 1 8.4 0.007 . 1 . . . . 43 GLU H . 18103 1 217 . 1 1 48 48 GLU C C 13 174.1664 0.15 . 1 . . . . 43 GLU C . 18103 1 218 . 1 1 48 48 GLU CA C 13 58.0804 0.3 . 1 . . . . 43 GLU CA . 18103 1 219 . 1 1 48 48 GLU CB C 13 27.1474 0.3 . 1 . . . . 43 GLU CB . 18103 1 220 . 1 1 48 48 GLU N N 15 119.463 0.23 . 1 . . . . 43 GLU N . 18103 1 221 . 1 1 49 49 SER H H 1 7.762 0.007 . 1 . . . . 44 SER H . 18103 1 222 . 1 1 49 49 SER C C 13 174.5594 0.15 . 1 . . . . 44 SER C . 18103 1 223 . 1 1 49 49 SER CA C 13 60.7804 0.3 . 1 . . . . 44 SER CA . 18103 1 224 . 1 1 49 49 SER CB C 13 62.7174 0.3 . 1 . . . . 44 SER CB . 18103 1 225 . 1 1 49 49 SER N N 15 115.009 0.23 . 1 . . . . 44 SER N . 18103 1 226 . 1 1 50 50 GLY H H 1 8.266 0.007 . 1 . . . . 45 GLY H . 18103 1 227 . 1 1 50 50 GLY C C 13 172.9284 0.15 . 1 . . . . 45 GLY C . 18103 1 228 . 1 1 50 50 GLY CA C 13 45.1904 0.3 . 1 . . . . 45 GLY CA . 18103 1 229 . 1 1 50 50 GLY N N 15 108.584 0.23 . 1 . . . . 45 GLY N . 18103 1 230 . 1 1 51 51 LYS H H 1 8.466 0.007 . 1 . . . . 46 LYS H . 18103 1 231 . 1 1 51 51 LYS C C 13 174.0744 0.15 . 1 . . . . 46 LYS C . 18103 1 232 . 1 1 51 51 LYS CA C 13 60.1494 0.3 . 1 . . . . 46 LYS CA . 18103 1 233 . 1 1 51 51 LYS CB C 13 28.9954 0.3 . 1 . . . . 46 LYS CB . 18103 1 234 . 1 1 51 51 LYS N N 15 123.16 0.23 . 1 . . . . 46 LYS N . 18103 1 235 . 1 1 52 52 SER H H 1 9.029 0.007 . 1 . . . . 47 SER H . 18103 1 236 . 1 1 52 52 SER C C 13 174.0914 0.15 . 1 . . . . 47 SER C . 18103 1 237 . 1 1 52 52 SER CA C 13 60.0134 0.3 . 1 . . . . 47 SER CA . 18103 1 238 . 1 1 52 52 SER CB C 13 61.4444 0.3 . 1 . . . . 47 SER CB . 18103 1 239 . 1 1 52 52 SER N N 15 114.94 0.23 . 1 . . . . 47 SER N . 18103 1 240 . 1 1 53 53 THR C C 13 175.5744 0.15 . 1 . . . . 48 THR C . 18103 1 241 . 1 1 53 53 THR CA C 13 59.1974 0.3 . 1 . . . . 48 THR CA . 18103 1 242 . 1 1 54 54 ILE H H 1 7.502 0.007 . 1 . . . . 49 ILE H . 18103 1 243 . 1 1 54 54 ILE C C 13 178.1524 0.15 . 1 . . . . 49 ILE C . 18103 1 244 . 1 1 54 54 ILE CA C 13 63.6744 0.3 . 1 . . . . 49 ILE CA . 18103 1 245 . 1 1 54 54 ILE CB C 13 42.6024 0.3 . 1 . . . . 49 ILE CB . 18103 1 246 . 1 1 54 54 ILE N N 15 123.141 0.23 . 1 . . . . 49 ILE N . 18103 1 247 . 1 1 55 55 VAL H H 1 7.195 0.007 . 1 . . . . 50 VAL H . 18103 1 248 . 1 1 55 55 VAL C C 13 179.2774 0.15 . 1 . . . . 50 VAL C . 18103 1 249 . 1 1 55 55 VAL CA C 13 67.1984 0.3 . 1 . . . . 50 VAL CA . 18103 1 250 . 1 1 55 55 VAL CB C 13 30.0634 0.3 . 1 . . . . 50 VAL CB . 18103 1 251 . 1 1 55 55 VAL N N 15 119.63 0.23 . 1 . . . . 50 VAL N . 18103 1 252 . 1 1 56 56 LYS H H 1 7.412 0.007 . 1 . . . . 51 LYS H . 18103 1 253 . 1 1 56 56 LYS C C 13 179.4304 0.15 . 1 . . . . 51 LYS C . 18103 1 254 . 1 1 56 56 LYS CA C 13 59.7964 0.3 . 1 . . . . 51 LYS CA . 18103 1 255 . 1 1 56 56 LYS CB C 13 33.3164 0.3 . 1 . . . . 51 LYS CB . 18103 1 256 . 1 1 56 56 LYS N N 15 120.112 0.23 . 1 . . . . 51 LYS N . 18103 1 257 . 1 1 57 57 GLN H H 1 7.535 0.007 . 1 . . . . 52 GLN H . 18103 1 258 . 1 1 57 57 GLN C C 13 178.5354 0.15 . 1 . . . . 52 GLN C . 18103 1 259 . 1 1 57 57 GLN CA C 13 57.3654 0.3 . 1 . . . . 52 GLN CA . 18103 1 260 . 1 1 57 57 GLN CB C 13 26.1664 0.3 . 1 . . . . 52 GLN CB . 18103 1 261 . 1 1 57 57 GLN N N 15 115.683 0.23 . 1 . . . . 52 GLN N . 18103 1 262 . 1 1 58 58 MET H H 1 7.687 0.007 . 1 . . . . 53 MET H . 18103 1 263 . 1 1 58 58 MET C C 13 178.4544 0.15 . 1 . . . . 53 MET C . 18103 1 264 . 1 1 58 58 MET CA C 13 56.0284 0.3 . 1 . . . . 53 MET CA . 18103 1 265 . 1 1 58 58 MET CB C 13 31.8784 0.3 . 1 . . . . 53 MET CB . 18103 1 266 . 1 1 58 58 MET N N 15 118.254 0.23 . 1 . . . . 53 MET N . 18103 1 267 . 1 1 59 59 LYS H H 1 6.987 0.007 . 1 . . . . 54 LYS H . 18103 1 268 . 1 1 59 59 LYS C C 13 179.4374 0.15 . 1 . . . . 54 LYS C . 18103 1 269 . 1 1 59 59 LYS CA C 13 58.3494 0.3 . 1 . . . . 54 LYS CA . 18103 1 270 . 1 1 59 59 LYS CB C 13 31.8354 0.3 . 1 . . . . 54 LYS CB . 18103 1 271 . 1 1 59 59 LYS N N 15 121.713 0.23 . 1 . . . . 54 LYS N . 18103 1 272 . 1 1 60 60 ILE H H 1 7.337 0.007 . 1 . . . . 55 ILE H . 18103 1 273 . 1 1 60 60 ILE C C 13 176.8464 0.15 . 1 . . . . 55 ILE C . 18103 1 274 . 1 1 60 60 ILE CA C 13 65.2684 0.3 . 1 . . . . 55 ILE CA . 18103 1 275 . 1 1 60 60 ILE N N 15 121.074 0.23 . 1 . . . . 55 ILE N . 18103 1 276 . 1 1 61 61 ILE H H 1 8.445 0.007 . 1 . . . . 56 ILE H . 18103 1 277 . 1 1 61 61 ILE C C 13 177.6284 0.15 . 1 . . . . 56 ILE C . 18103 1 278 . 1 1 61 61 ILE CA C 13 64.0094 0.3 . 1 . . . . 56 ILE CA . 18103 1 279 . 1 1 61 61 ILE CB C 13 38.9584 0.3 . 1 . . . . 56 ILE CB . 18103 1 280 . 1 1 61 61 ILE N N 15 118.148 0.23 . 1 . . . . 56 ILE N . 18103 1 281 . 1 1 62 62 HIS H H 1 7.635 0.007 . 1 . . . . 57 HIS H . 18103 1 282 . 1 1 62 62 HIS C C 13 176.5284 0.15 . 1 . . . . 57 HIS C . 18103 1 283 . 1 1 62 62 HIS CA C 13 55.8824 0.3 . 1 . . . . 57 HIS CA . 18103 1 284 . 1 1 62 62 HIS CB C 13 31.0894 0.3 . 1 . . . . 57 HIS CB . 18103 1 285 . 1 1 62 62 HIS N N 15 114.832 0.23 . 1 . . . . 57 HIS N . 18103 1 286 . 1 1 63 63 GLU H H 1 6.904 0.007 . 1 . . . . 58 GLU H . 18103 1 287 . 1 1 63 63 GLU C C 13 175.2114 0.15 . 1 . . . . 58 GLU C . 18103 1 288 . 1 1 63 63 GLU CA C 13 54.5414 0.3 . 1 . . . . 58 GLU CA . 18103 1 289 . 1 1 63 63 GLU CB C 13 28.9934 0.3 . 1 . . . . 58 GLU CB . 18103 1 290 . 1 1 63 63 GLU N N 15 119.93 0.23 . 1 . . . . 58 GLU N . 18103 1 291 . 1 1 64 64 ASP H H 1 8.219 0.007 . 1 . . . . 59 ASP H . 18103 1 292 . 1 1 64 64 ASP C C 13 176.3744 0.15 . 1 . . . . 59 ASP C . 18103 1 293 . 1 1 64 64 ASP CA C 13 54.3274 0.3 . 1 . . . . 59 ASP CA . 18103 1 294 . 1 1 64 64 ASP CB C 13 39.6354 0.3 . 1 . . . . 59 ASP CB . 18103 1 295 . 1 1 64 64 ASP N N 15 118.995 0.23 . 1 . . . . 59 ASP N . 18103 1 296 . 1 1 65 65 GLY H H 1 7.782 0.007 . 1 . . . . 60 GLY H . 18103 1 297 . 1 1 65 65 GLY C C 13 171.7224 0.15 . 1 . . . . 60 GLY C . 18103 1 298 . 1 1 65 65 GLY CA C 13 45.0014 0.3 . 1 . . . . 60 GLY CA . 18103 1 299 . 1 1 65 65 GLY N N 15 106.841 0.23 . 1 . . . . 60 GLY N . 18103 1 300 . 1 1 66 66 TYR H H 1 8.298 0.007 . 1 . . . . 61 TYR H . 18103 1 301 . 1 1 66 66 TYR C C 13 175.8914 0.15 . 1 . . . . 61 TYR C . 18103 1 302 . 1 1 66 66 TYR CA C 13 58.2334 0.3 . 1 . . . . 61 TYR CA . 18103 1 303 . 1 1 66 66 TYR N N 15 118.984 0.23 . 1 . . . . 61 TYR N . 18103 1 304 . 1 1 67 67 SER H H 1 9.137 0.007 . 1 . . . . 62 SER H . 18103 1 305 . 1 1 67 67 SER C C 13 175.1434 0.15 . 1 . . . . 62 SER C . 18103 1 306 . 1 1 67 67 SER CA C 13 57.0284 0.3 . 1 . . . . 62 SER CA . 18103 1 307 . 1 1 67 67 SER CB C 13 64.5594 0.3 . 1 . . . . 62 SER CB . 18103 1 308 . 1 1 67 67 SER N N 15 122.03 0.23 . 1 . . . . 62 SER N . 18103 1 309 . 1 1 68 68 GLU H H 1 9.041 0.007 . 1 . . . . 63 GLU H . 18103 1 310 . 1 1 68 68 GLU C C 13 178.3774 0.15 . 1 . . . . 63 GLU C . 18103 1 311 . 1 1 68 68 GLU CA C 13 60.5974 0.3 . 1 . . . . 63 GLU CA . 18103 1 312 . 1 1 68 68 GLU CB C 13 28.9754 0.3 . 1 . . . . 63 GLU CB . 18103 1 313 . 1 1 68 68 GLU N N 15 124.249 0.23 . 1 . . . . 63 GLU N . 18103 1 314 . 1 1 69 69 ASP H H 1 8.267 0.007 . 1 . . . . 64 ASP H . 18103 1 315 . 1 1 69 69 ASP C C 13 179.2544 0.15 . 1 . . . . 64 ASP C . 18103 1 316 . 1 1 69 69 ASP CA C 13 57.3724 0.3 . 1 . . . . 64 ASP CA . 18103 1 317 . 1 1 69 69 ASP CB C 13 40.0544 0.3 . 1 . . . . 64 ASP CB . 18103 1 318 . 1 1 69 69 ASP N N 15 117.538 0.23 . 1 . . . . 64 ASP N . 18103 1 319 . 1 1 70 70 GLU H H 1 7.657 0.007 . 1 . . . . 65 GLU H . 18103 1 320 . 1 1 70 70 GLU C C 13 180.0804 0.15 . 1 . . . . 65 GLU C . 18103 1 321 . 1 1 70 70 GLU CA C 13 58.9394 0.3 . 1 . . . . 65 GLU CA . 18103 1 322 . 1 1 70 70 GLU CB C 13 29.7194 0.3 . 1 . . . . 65 GLU CB . 18103 1 323 . 1 1 70 70 GLU N N 15 121.024 0.23 . 1 . . . . 65 GLU N . 18103 1 324 . 1 1 71 71 CYS H H 1 8.618 0.007 . 1 . . . . 66 CYS H . 18103 1 325 . 1 1 71 71 CYS C C 13 178.3044 0.15 . 1 . . . . 66 CYS C . 18103 1 326 . 1 1 71 71 CYS CA C 13 64.7984 0.3 . 1 . . . . 66 CYS CA . 18103 1 327 . 1 1 71 71 CYS CB C 13 26.3384 0.3 . 1 . . . . 66 CYS CB . 18103 1 328 . 1 1 71 71 CYS N N 15 119.345 0.23 . 1 . . . . 66 CYS N . 18103 1 329 . 1 1 72 72 LYS H H 1 8.198 0.007 . 1 . . . . 67 LYS H . 18103 1 330 . 1 1 72 72 LYS C C 13 179.4604 0.15 . 1 . . . . 67 LYS C . 18103 1 331 . 1 1 72 72 LYS CA C 13 60.4154 0.3 . 1 . . . . 67 LYS CA . 18103 1 332 . 1 1 72 72 LYS CB C 13 31.4804 0.3 . 1 . . . . 67 LYS CB . 18103 1 333 . 1 1 72 72 LYS N N 15 119.4 0.23 . 1 . . . . 67 LYS N . 18103 1 334 . 1 1 73 73 GLN H H 1 7.43 0.007 . 1 . . . . 68 GLN H . 18103 1 335 . 1 1 73 73 GLN C C 13 177.0274 0.15 . 1 . . . . 68 GLN C . 18103 1 336 . 1 1 73 73 GLN CA C 13 57.3544 0.3 . 1 . . . . 68 GLN CA . 18103 1 337 . 1 1 73 73 GLN CB C 13 27.0694 0.3 . 1 . . . . 68 GLN CB . 18103 1 338 . 1 1 73 73 GLN N N 15 118.067 0.23 . 1 . . . . 68 GLN N . 18103 1 339 . 1 1 74 74 TYR H H 1 7.735 0.007 . 1 . . . . 69 TYR H . 18103 1 340 . 1 1 74 74 TYR CA C 13 59.8064 0.3 . 1 . . . . 69 TYR CA . 18103 1 341 . 1 1 74 74 TYR CB C 13 37.9314 0.3 . 1 . . . . 69 TYR CB . 18103 1 342 . 1 1 74 74 TYR N N 15 115.537 0.23 . 1 . . . . 69 TYR N . 18103 1 343 . 1 1 75 75 LYS H H 1 7.604 0.007 . 1 . . . . 70 LYS H . 18103 1 344 . 1 1 75 75 LYS C C 13 176.5754 0.15 . 1 . . . . 70 LYS C . 18103 1 345 . 1 1 75 75 LYS CA C 13 61.2684 0.3 . 1 . . . . 70 LYS CA . 18103 1 346 . 1 1 75 75 LYS CB C 13 30.8584 0.3 . 1 . . . . 70 LYS CB . 18103 1 347 . 1 1 75 75 LYS N N 15 125.801 0.23 . 1 . . . . 70 LYS N . 18103 1 348 . 1 1 76 76 VAL H H 1 7.751 0.007 . 1 . . . . 71 VAL H . 18103 1 349 . 1 1 76 76 VAL C C 13 177.1864 0.15 . 1 . . . . 71 VAL C . 18103 1 350 . 1 1 76 76 VAL CA C 13 64.7524 0.3 . 1 . . . . 71 VAL CA . 18103 1 351 . 1 1 76 76 VAL CB C 13 30.0744 0.3 . 1 . . . . 71 VAL CB . 18103 1 352 . 1 1 76 76 VAL N N 15 113.195 0.23 . 1 . . . . 71 VAL N . 18103 1 353 . 1 1 77 77 VAL H H 1 6.64 0.007 . 1 . . . . 72 VAL H . 18103 1 354 . 1 1 77 77 VAL C C 13 177.6754 0.15 . 1 . . . . 72 VAL C . 18103 1 355 . 1 1 77 77 VAL CA C 13 64.7834 0.3 . 1 . . . . 72 VAL CA . 18103 1 356 . 1 1 77 77 VAL CB C 13 31.6724 0.3 . 1 . . . . 72 VAL CB . 18103 1 357 . 1 1 77 77 VAL N N 15 122.58 0.23 . 1 . . . . 72 VAL N . 18103 1 358 . 1 1 78 78 VAL H H 1 8.22 0.007 . 1 . . . . 73 VAL H . 18103 1 359 . 1 1 78 78 VAL C C 13 177.7944 0.15 . 1 . . . . 73 VAL C . 18103 1 360 . 1 1 78 78 VAL CA C 13 66.7474 0.3 . 1 . . . . 73 VAL CA . 18103 1 361 . 1 1 78 78 VAL CB C 13 30.7984 0.3 . 1 . . . . 73 VAL CB . 18103 1 362 . 1 1 78 78 VAL N N 15 119.875 0.23 . 1 . . . . 73 VAL N . 18103 1 363 . 1 1 79 79 TYR H H 1 8.29 0.007 . 1 . . . . 74 TYR H . 18103 1 364 . 1 1 79 79 TYR C C 13 177.7084 0.15 . 1 . . . . 74 TYR C . 18103 1 365 . 1 1 79 79 TYR CA C 13 58.0774 0.3 . 1 . . . . 74 TYR CA . 18103 1 366 . 1 1 79 79 TYR CB C 13 34.3234 0.3 . 1 . . . . 74 TYR CB . 18103 1 367 . 1 1 79 79 TYR N N 15 120.783 0.23 . 1 . . . . 74 TYR N . 18103 1 368 . 1 1 80 80 SER H H 1 8.46 0.007 . 1 . . . . 75 SER H . 18103 1 369 . 1 1 80 80 SER C C 13 177.4104 0.15 . 1 . . . . 75 SER C . 18103 1 370 . 1 1 80 80 SER CA C 13 61.6374 0.3 . 1 . . . . 75 SER CA . 18103 1 371 . 1 1 80 80 SER CB C 13 62.4734 0.3 . 1 . . . . 75 SER CB . 18103 1 372 . 1 1 80 80 SER N N 15 117.062 0.23 . 1 . . . . 75 SER N . 18103 1 373 . 1 1 81 81 ASN H H 1 9.136 0.007 . 1 . . . . 76 ASN H . 18103 1 374 . 1 1 81 81 ASN C C 13 178.2164 0.15 . 1 . . . . 76 ASN C . 18103 1 375 . 1 1 81 81 ASN CB C 13 38.1654 0.3 . 1 . . . . 76 ASN CB . 18103 1 376 . 1 1 81 81 ASN N N 15 119.181 0.23 . 1 . . . . 76 ASN N . 18103 1 377 . 1 1 82 82 THR C C 13 175.9434 0.15 . 1 . . . . 77 THR C . 18103 1 378 . 1 1 83 83 ILE H H 1 8.382 0.007 . 1 . . . . 78 ILE H . 18103 1 379 . 1 1 83 83 ILE C C 13 177.5724 0.15 . 1 . . . . 78 ILE C . 18103 1 380 . 1 1 83 83 ILE CA C 13 64.6104 0.3 . 1 . . . . 78 ILE CA . 18103 1 381 . 1 1 83 83 ILE CB C 13 37.1174 0.3 . 1 . . . . 78 ILE CB . 18103 1 382 . 1 1 83 83 ILE N N 15 123.119 0.23 . 1 . . . . 78 ILE N . 18103 1 383 . 1 1 84 84 GLN H H 1 8.673 0.007 . 1 . . . . 79 GLN H . 18103 1 384 . 1 1 84 84 GLN C C 13 179.8024 0.15 . 1 . . . . 79 GLN C . 18103 1 385 . 1 1 84 84 GLN CA C 13 58.4654 0.3 . 1 . . . . 79 GLN CA . 18103 1 386 . 1 1 84 84 GLN CB C 13 26.8784 0.3 . 1 . . . . 79 GLN CB . 18103 1 387 . 1 1 84 84 GLN N N 15 117.61 0.23 . 1 . . . . 79 GLN N . 18103 1 388 . 1 1 85 85 SER H H 1 7.6 0.007 . 1 . . . . 80 SER H . 18103 1 389 . 1 1 85 85 SER C C 13 174.3734 0.15 . 1 . . . . 80 SER C . 18103 1 390 . 1 1 85 85 SER CA C 13 62.5724 0.3 . 1 . . . . 80 SER CA . 18103 1 391 . 1 1 85 85 SER N N 15 116.26 0.23 . 1 . . . . 80 SER N . 18103 1 392 . 1 1 86 86 ILE H H 1 7.576 0.007 . 1 . . . . 81 ILE H . 18103 1 393 . 1 1 86 86 ILE C C 13 176.7734 0.15 . 1 . . . . 81 ILE C . 18103 1 394 . 1 1 86 86 ILE CA C 13 60.5194 0.3 . 1 . . . . 81 ILE CA . 18103 1 395 . 1 1 86 86 ILE CB C 13 38.1684 0.3 . 1 . . . . 81 ILE CB . 18103 1 396 . 1 1 86 86 ILE N N 15 120.231 0.23 . 1 . . . . 81 ILE N . 18103 1 397 . 1 1 87 87 ILE H H 1 8.062 0.007 . 1 . . . . 82 ILE H . 18103 1 398 . 1 1 87 87 ILE C C 13 177.0164 0.15 . 1 . . . . 82 ILE C . 18103 1 399 . 1 1 87 87 ILE CA C 13 66.6734 0.3 . 1 . . . . 82 ILE CA . 18103 1 400 . 1 1 87 87 ILE N N 15 124.707 0.23 . 1 . . . . 82 ILE N . 18103 1 401 . 1 1 88 88 ALA H H 1 7.918 0.007 . 1 . . . . 83 ALA H . 18103 1 402 . 1 1 88 88 ALA C C 13 181.0404 0.15 . 1 . . . . 83 ALA C . 18103 1 403 . 1 1 88 88 ALA CA C 13 55.1784 0.3 . 1 . . . . 83 ALA CA . 18103 1 404 . 1 1 88 88 ALA CB C 13 17.2074 0.3 . 1 . . . . 83 ALA CB . 18103 1 405 . 1 1 88 88 ALA N N 15 122.166 0.23 . 1 . . . . 83 ALA N . 18103 1 406 . 1 1 89 89 ILE H H 1 7.635 0.007 . 1 . . . . 84 ILE H . 18103 1 407 . 1 1 89 89 ILE C C 13 177.7124 0.15 . 1 . . . . 84 ILE C . 18103 1 408 . 1 1 89 89 ILE CA C 13 65.1794 0.3 . 1 . . . . 84 ILE CA . 18103 1 409 . 1 1 89 89 ILE CB C 13 37.9394 0.3 . 1 . . . . 84 ILE CB . 18103 1 410 . 1 1 89 89 ILE N N 15 118.8 0.23 . 1 . . . . 84 ILE N . 18103 1 411 . 1 1 90 90 ILE H H 1 8.187 0.007 . 1 . . . . 85 ILE H . 18103 1 412 . 1 1 90 90 ILE C C 13 180.3664 0.15 . 1 . . . . 85 ILE C . 18103 1 413 . 1 1 90 90 ILE CA C 13 62.9764 0.3 . 1 . . . . 85 ILE CA . 18103 1 414 . 1 1 90 90 ILE CB C 13 34.7374 0.3 . 1 . . . . 85 ILE CB . 18103 1 415 . 1 1 90 90 ILE N N 15 120.208 0.23 . 1 . . . . 85 ILE N . 18103 1 416 . 1 1 91 91 ARG H H 1 9.08 0.007 . 1 . . . . 86 ARG H . 18103 1 417 . 1 1 91 91 ARG C C 13 179.6024 0.15 . 1 . . . . 86 ARG C . 18103 1 418 . 1 1 91 91 ARG CA C 13 59.4174 0.3 . 1 . . . . 86 ARG CA . 18103 1 419 . 1 1 91 91 ARG CB C 13 29.3844 0.3 . 1 . . . . 86 ARG CB . 18103 1 420 . 1 1 91 91 ARG N N 15 121.034 0.23 . 1 . . . . 86 ARG N . 18103 1 421 . 1 1 92 92 ALA H H 1 7.515 0.007 . 1 . . . . 87 ALA H . 18103 1 422 . 1 1 92 92 ALA C C 13 178.5354 0.15 . 1 . . . . 87 ALA C . 18103 1 423 . 1 1 92 92 ALA CA C 13 54.0034 0.3 . 1 . . . . 87 ALA CA . 18103 1 424 . 1 1 92 92 ALA CB C 13 15.8044 0.3 . 1 . . . . 87 ALA CB . 18103 1 425 . 1 1 92 92 ALA N N 15 123.152 0.23 . 1 . . . . 87 ALA N . 18103 1 426 . 1 1 93 93 MET H H 1 7.659 0.007 . 1 . . . . 88 MET H . 18103 1 427 . 1 1 93 93 MET C C 13 178.9044 0.15 . 1 . . . . 88 MET C . 18103 1 428 . 1 1 93 93 MET CA C 13 60.1924 0.3 . 1 . . . . 88 MET CA . 18103 1 429 . 1 1 93 93 MET CB C 13 31.6104 0.3 . 1 . . . . 88 MET CB . 18103 1 430 . 1 1 93 93 MET N N 15 119.309 0.23 . 1 . . . . 88 MET N . 18103 1 431 . 1 1 94 94 GLY H H 1 7.334 0.007 . 1 . . . . 89 GLY H . 18103 1 432 . 1 1 94 94 GLY C C 13 176.1654 0.15 . 1 . . . . 89 GLY C . 18103 1 433 . 1 1 94 94 GLY CA C 13 46.1354 0.3 . 1 . . . . 89 GLY CA . 18103 1 434 . 1 1 94 94 GLY N N 15 104.513 0.23 . 1 . . . . 89 GLY N . 18103 1 435 . 1 1 95 95 ARG H H 1 7.139 0.007 . 1 . . . . 90 ARG H . 18103 1 436 . 1 1 95 95 ARG C C 13 177.9664 0.15 . 1 . . . . 90 ARG C . 18103 1 437 . 1 1 95 95 ARG CA C 13 58.0444 0.3 . 1 . . . . 90 ARG CA . 18103 1 438 . 1 1 95 95 ARG CB C 13 29.4134 0.3 . 1 . . . . 90 ARG CB . 18103 1 439 . 1 1 95 95 ARG N N 15 122.913 0.23 . 1 . . . . 90 ARG N . 18103 1 440 . 1 1 96 96 LEU H H 1 8.308 0.007 . 1 . . . . 91 LEU H . 18103 1 441 . 1 1 96 96 LEU C C 13 175.9014 0.15 . 1 . . . . 91 LEU C . 18103 1 442 . 1 1 96 96 LEU CA C 13 55.1674 0.3 . 1 . . . . 91 LEU CA . 18103 1 443 . 1 1 96 96 LEU CB C 13 40.9954 0.3 . 1 . . . . 91 LEU CB . 18103 1 444 . 1 1 96 96 LEU N N 15 118.549 0.23 . 1 . . . . 91 LEU N . 18103 1 445 . 1 1 97 97 LYS H H 1 7.415 0.007 . 1 . . . . 92 LYS H . 18103 1 446 . 1 1 97 97 LYS C C 13 175.0414 0.15 . 1 . . . . 92 LYS C . 18103 1 447 . 1 1 97 97 LYS CA C 13 56.4454 0.3 . 1 . . . . 92 LYS CA . 18103 1 448 . 1 1 97 97 LYS N N 15 117.169 0.23 . 1 . . . . 92 LYS N . 18103 1 449 . 1 1 98 98 ILE H H 1 8.01 0.007 . 1 . . . . 93 ILE H . 18103 1 450 . 1 1 98 98 ILE C C 13 174.8354 0.15 . 1 . . . . 93 ILE C . 18103 1 451 . 1 1 98 98 ILE CA C 13 60.1534 0.3 . 1 . . . . 93 ILE CA . 18103 1 452 . 1 1 98 98 ILE CB C 13 39.7754 0.3 . 1 . . . . 93 ILE CB . 18103 1 453 . 1 1 98 98 ILE N N 15 122.615 0.23 . 1 . . . . 93 ILE N . 18103 1 454 . 1 1 99 99 ASP H H 1 8.133 0.007 . 1 . . . . 94 ASP H . 18103 1 455 . 1 1 99 99 ASP C C 13 177.2584 0.15 . 1 . . . . 94 ASP C . 18103 1 456 . 1 1 99 99 ASP CA C 13 52.7124 0.3 . 1 . . . . 94 ASP CA . 18103 1 457 . 1 1 99 99 ASP CB C 13 41.8284 0.3 . 1 . . . . 94 ASP CB . 18103 1 458 . 1 1 99 99 ASP N N 15 127.011 0.23 . 1 . . . . 94 ASP N . 18103 1 459 . 1 1 100 100 PHE H H 1 7.976 0.007 . 1 . . . . 95 PHE H . 18103 1 460 . 1 1 100 100 PHE C C 13 177.3784 0.15 . 1 . . . . 95 PHE C . 18103 1 461 . 1 1 100 100 PHE CA C 13 59.4724 0.3 . 1 . . . . 95 PHE CA . 18103 1 462 . 1 1 100 100 PHE CB C 13 40.0624 0.3 . 1 . . . . 95 PHE CB . 18103 1 463 . 1 1 100 100 PHE N N 15 117.976 0.23 . 1 . . . . 95 PHE N . 18103 1 464 . 1 1 101 101 GLY H H 1 11.412 0.007 . 1 . . . . 96 GLY H . 18103 1 465 . 1 1 101 101 GLY C C 13 175.0114 0.15 . 1 . . . . 96 GLY C . 18103 1 466 . 1 1 101 101 GLY CA C 13 45.8204 0.3 . 1 . . . . 96 GLY CA . 18103 1 467 . 1 1 101 101 GLY N N 15 117.028 0.23 . 1 . . . . 96 GLY N . 18103 1 468 . 1 1 102 102 GLU H H 1 7.645 0.007 . 1 . . . . 97 GLU H . 18103 1 469 . 1 1 102 102 GLU C C 13 176.3504 0.15 . 1 . . . . 97 GLU C . 18103 1 470 . 1 1 102 102 GLU CA C 13 54.3494 0.3 . 1 . . . . 97 GLU CA . 18103 1 471 . 1 1 102 102 GLU CB C 13 31.4664 0.3 . 1 . . . . 97 GLU CB . 18103 1 472 . 1 1 102 102 GLU N N 15 119.088 0.23 . 1 . . . . 97 GLU N . 18103 1 473 . 1 1 103 103 ALA H H 1 8.597 0.007 . 1 . . . . 98 ALA H . 18103 1 474 . 1 1 103 103 ALA C C 13 180.4744 0.15 . 1 . . . . 98 ALA C . 18103 1 475 . 1 1 103 103 ALA CA C 13 54.9154 0.3 . 1 . . . . 98 ALA CA . 18103 1 476 . 1 1 103 103 ALA CB C 13 17.2984 0.3 . 1 . . . . 98 ALA CB . 18103 1 477 . 1 1 103 103 ALA N N 15 128.968 0.23 . 1 . . . . 98 ALA N . 18103 1 478 . 1 1 104 104 ALA H H 1 8.579 0.007 . 1 . . . . 99 ALA H . 18103 1 479 . 1 1 104 104 ALA C C 13 179.4614 0.15 . 1 . . . . 99 ALA C . 18103 1 480 . 1 1 104 104 ALA CA C 13 53.8084 0.3 . 1 . . . . 99 ALA CA . 18103 1 481 . 1 1 104 104 ALA CB C 13 17.9384 0.3 . 1 . . . . 99 ALA CB . 18103 1 482 . 1 1 104 104 ALA N N 15 120.808 0.23 . 1 . . . . 99 ALA N . 18103 1 483 . 1 1 105 105 ARG H H 1 7.908 0.007 . 1 . . . . 100 ARG H . 18103 1 484 . 1 1 105 105 ARG C C 13 177.5594 0.15 . 1 . . . . 100 ARG C . 18103 1 485 . 1 1 105 105 ARG CA C 13 56.7474 0.3 . 1 . . . . 100 ARG CA . 18103 1 486 . 1 1 105 105 ARG CB C 13 30.8744 0.3 . 1 . . . . 100 ARG CB . 18103 1 487 . 1 1 105 105 ARG N N 15 115.03 0.23 . 1 . . . . 100 ARG N . 18103 1 488 . 1 1 106 106 ALA H H 1 7.555 0.007 . 1 . . . . 101 ALA H . 18103 1 489 . 1 1 106 106 ALA C C 13 180.7644 0.15 . 1 . . . . 101 ALA C . 18103 1 490 . 1 1 106 106 ALA CA C 13 54.8344 0.3 . 1 . . . . 101 ALA CA . 18103 1 491 . 1 1 106 106 ALA CB C 13 16.8754 0.3 . 1 . . . . 101 ALA CB . 18103 1 492 . 1 1 106 106 ALA N N 15 122.203 0.23 . 1 . . . . 101 ALA N . 18103 1 493 . 1 1 107 107 ASP H H 1 7.256 0.007 . 1 . . . . 102 ASP H . 18103 1 494 . 1 1 107 107 ASP C C 13 178.6534 0.15 . 1 . . . . 102 ASP C . 18103 1 495 . 1 1 107 107 ASP CA C 13 56.7684 0.3 . 1 . . . . 102 ASP CA . 18103 1 496 . 1 1 107 107 ASP CB C 13 39.9494 0.3 . 1 . . . . 102 ASP CB . 18103 1 497 . 1 1 107 107 ASP N N 15 118.615 0.23 . 1 . . . . 102 ASP N . 18103 1 498 . 1 1 108 108 ASP H H 1 6.701 0.007 . 1 . . . . 103 ASP H . 18103 1 499 . 1 1 108 108 ASP C C 13 177.0654 0.15 . 1 . . . . 103 ASP C . 18103 1 500 . 1 1 108 108 ASP CA C 13 57.0434 0.3 . 1 . . . . 103 ASP CA . 18103 1 501 . 1 1 108 108 ASP CB C 13 39.5814 0.3 . 1 . . . . 103 ASP CB . 18103 1 502 . 1 1 108 108 ASP N N 15 120.482 0.23 . 1 . . . . 103 ASP N . 18103 1 503 . 1 1 109 109 ALA H H 1 8.199 0.007 . 1 . . . . 104 ALA H . 18103 1 504 . 1 1 109 109 ALA C C 13 177.7504 0.15 . 1 . . . . 104 ALA C . 18103 1 505 . 1 1 109 109 ALA CA C 13 54.7204 0.3 . 1 . . . . 104 ALA CA . 18103 1 506 . 1 1 109 109 ALA CB C 13 17.2664 0.3 . 1 . . . . 104 ALA CB . 18103 1 507 . 1 1 109 109 ALA N N 15 123.229 0.23 . 1 . . . . 104 ALA N . 18103 1 508 . 1 1 110 110 ARG H H 1 7.3 0.007 . 1 . . . . 105 ARG H . 18103 1 509 . 1 1 110 110 ARG C C 13 179.8684 0.15 . 1 . . . . 105 ARG C . 18103 1 510 . 1 1 110 110 ARG CA C 13 59.3214 0.3 . 1 . . . . 105 ARG CA . 18103 1 511 . 1 1 110 110 ARG CB C 13 29.1124 0.3 . 1 . . . . 105 ARG CB . 18103 1 512 . 1 1 110 110 ARG N N 15 116.579 0.23 . 1 . . . . 105 ARG N . 18103 1 513 . 1 1 111 111 GLN H H 1 7.796 0.007 . 1 . . . . 106 GLN H . 18103 1 514 . 1 1 111 111 GLN C C 13 177.7524 0.15 . 1 . . . . 106 GLN C . 18103 1 515 . 1 1 111 111 GLN CA C 13 57.7374 0.3 . 1 . . . . 106 GLN CA . 18103 1 516 . 1 1 111 111 GLN CB C 13 28.1234 0.3 . 1 . . . . 106 GLN CB . 18103 1 517 . 1 1 111 111 GLN N N 15 119.207 0.23 . 1 . . . . 106 GLN N . 18103 1 518 . 1 1 112 112 LEU H H 1 8.373 0.007 . 1 . . . . 107 LEU H . 18103 1 519 . 1 1 112 112 LEU C C 13 177.0934 0.15 . 1 . . . . 107 LEU C . 18103 1 520 . 1 1 112 112 LEU CA C 13 58.1024 0.3 . 1 . . . . 107 LEU CA . 18103 1 521 . 1 1 112 112 LEU CB C 13 40.9574 0.3 . 1 . . . . 107 LEU CB . 18103 1 522 . 1 1 112 112 LEU N N 15 121.872 0.23 . 1 . . . . 107 LEU N . 18103 1 523 . 1 1 113 113 PHE H H 1 7.054 0.007 . 1 . . . . 108 PHE H . 18103 1 524 . 1 1 113 113 PHE C C 13 179.2104 0.15 . 1 . . . . 108 PHE C . 18103 1 525 . 1 1 113 113 PHE CA C 13 60.8344 0.3 . 1 . . . . 108 PHE CA . 18103 1 526 . 1 1 113 113 PHE CB C 13 38.1044 0.3 . 1 . . . . 108 PHE CB . 18103 1 527 . 1 1 113 113 PHE N N 15 114.13 0.23 . 1 . . . . 108 PHE N . 18103 1 528 . 1 1 114 114 VAL H H 1 7.486 0.007 . 1 . . . . 109 VAL H . 18103 1 529 . 1 1 114 114 VAL C C 13 178.9684 0.15 . 1 . . . . 109 VAL C . 18103 1 530 . 1 1 114 114 VAL CA C 13 65.3544 0.3 . 1 . . . . 109 VAL CA . 18103 1 531 . 1 1 114 114 VAL CB C 13 31.4674 0.3 . 1 . . . . 109 VAL CB . 18103 1 532 . 1 1 114 114 VAL N N 15 121.023 0.23 . 1 . . . . 109 VAL N . 18103 1 533 . 1 1 115 115 LEU H H 1 8.561 0.007 . 1 . . . . 110 LEU H . 18103 1 534 . 1 1 115 115 LEU C C 13 179.6414 0.15 . 1 . . . . 110 LEU C . 18103 1 535 . 1 1 115 115 LEU CA C 13 56.1554 0.3 . 1 . . . . 110 LEU CA . 18103 1 536 . 1 1 115 115 LEU CB C 13 42.9224 0.3 . 1 . . . . 110 LEU CB . 18103 1 537 . 1 1 115 115 LEU N N 15 120.276 0.23 . 1 . . . . 110 LEU N . 18103 1 538 . 1 1 116 116 ALA H H 1 8.278 0.007 . 1 . . . . 111 ALA H . 18103 1 539 . 1 1 116 116 ALA C C 13 179.3054 0.15 . 1 . . . . 111 ALA C . 18103 1 540 . 1 1 116 116 ALA CA C 13 54.6534 0.3 . 1 . . . . 111 ALA CA . 18103 1 541 . 1 1 116 116 ALA CB C 13 17.8154 0.3 . 1 . . . . 111 ALA CB . 18103 1 542 . 1 1 116 116 ALA N N 15 122.223 0.23 . 1 . . . . 111 ALA N . 18103 1 543 . 1 1 117 117 GLY H H 1 7.878 0.007 . 1 . . . . 112 GLY H . 18103 1 544 . 1 1 117 117 GLY C C 13 175.3474 0.15 . 1 . . . . 112 GLY C . 18103 1 545 . 1 1 117 117 GLY CA C 13 45.8514 0.3 . 1 . . . . 112 GLY CA . 18103 1 546 . 1 1 117 117 GLY N N 15 105.004 0.23 . 1 . . . . 112 GLY N . 18103 1 547 . 1 1 118 118 SER H H 1 7.73 0.007 . 1 . . . . 113 SER H . 18103 1 548 . 1 1 118 118 SER C C 13 174.8044 0.15 . 1 . . . . 113 SER C . 18103 1 549 . 1 1 118 118 SER CA C 13 58.7164 0.3 . 1 . . . . 113 SER CA . 18103 1 550 . 1 1 118 118 SER CB C 13 63.6214 0.3 . 1 . . . . 113 SER CB . 18103 1 551 . 1 1 118 118 SER N N 15 115.835 0.23 . 1 . . . . 113 SER N . 18103 1 552 . 1 1 119 119 ALA H H 1 7.502 0.007 . 1 . . . . 114 ALA H . 18103 1 553 . 1 1 119 119 ALA C C 13 178.4124 0.15 . 1 . . . . 114 ALA C . 18103 1 554 . 1 1 119 119 ALA CA C 13 52.5304 0.3 . 1 . . . . 114 ALA CA . 18103 1 555 . 1 1 119 119 ALA CB C 13 18.1264 0.3 . 1 . . . . 114 ALA CB . 18103 1 556 . 1 1 119 119 ALA N N 15 125.937 0.23 . 1 . . . . 114 ALA N . 18103 1 557 . 1 1 120 120 GLU H H 1 8.039 0.007 . 1 . . . . 115 GLU H . 18103 1 558 . 1 1 120 120 GLU C C 13 176.7524 0.15 . 1 . . . . 115 GLU C . 18103 1 559 . 1 1 120 120 GLU CA C 13 56.6434 0.3 . 1 . . . . 115 GLU CA . 18103 1 560 . 1 1 120 120 GLU CB C 13 29.1054 0.3 . 1 . . . . 115 GLU CB . 18103 1 561 . 1 1 120 120 GLU N N 15 120.639 0.23 . 1 . . . . 115 GLU N . 18103 1 562 . 1 1 121 121 GLU H H 1 8.087 0.007 . 1 . . . . 116 GLU H . 18103 1 563 . 1 1 121 121 GLU C C 13 177.4464 0.15 . 1 . . . . 116 GLU C . 18103 1 564 . 1 1 121 121 GLU CA C 13 56.4044 0.3 . 1 . . . . 116 GLU CA . 18103 1 565 . 1 1 121 121 GLU CB C 13 28.9184 0.3 . 1 . . . . 116 GLU CB . 18103 1 566 . 1 1 121 121 GLU N N 15 120.368 0.23 . 1 . . . . 116 GLU N . 18103 1 567 . 1 1 122 122 GLY H H 1 8.669 0.007 . 1 . . . . 117 GLY H . 18103 1 568 . 1 1 122 122 GLY C C 13 172.4474 0.15 . 1 . . . . 117 GLY C . 18103 1 569 . 1 1 122 122 GLY CA C 13 45.6554 0.3 . 1 . . . . 117 GLY CA . 18103 1 570 . 1 1 122 122 GLY N N 15 109.697 0.23 . 1 . . . . 117 GLY N . 18103 1 571 . 1 1 123 123 VAL H H 1 7.533 0.007 . 1 . . . . 118 VAL H . 18103 1 572 . 1 1 123 123 VAL C C 13 174.3034 0.15 . 1 . . . . 118 VAL C . 18103 1 573 . 1 1 123 123 VAL CA C 13 61.1254 0.3 . 1 . . . . 118 VAL CA . 18103 1 574 . 1 1 123 123 VAL CB C 13 33.6154 0.3 . 1 . . . . 118 VAL CB . 18103 1 575 . 1 1 123 123 VAL N N 15 119.949 0.23 . 1 . . . . 118 VAL N . 18103 1 576 . 1 1 124 124 MET H H 1 8.231 0.007 . 1 . . . . 119 MET H . 18103 1 577 . 1 1 124 124 MET C C 13 174.5224 0.15 . 1 . . . . 119 MET C . 18103 1 578 . 1 1 124 124 MET CA C 13 53.0814 0.3 . 1 . . . . 119 MET CA . 18103 1 579 . 1 1 124 124 MET CB C 13 31.2564 0.3 . 1 . . . . 119 MET CB . 18103 1 580 . 1 1 124 124 MET N N 15 127.462 0.23 . 1 . . . . 119 MET N . 18103 1 581 . 1 1 125 125 THR H H 1 7.81 0.007 . 1 . . . . 120 THR H . 18103 1 582 . 1 1 125 125 THR C C 13 173.0594 0.15 . 1 . . . . 120 THR C . 18103 1 583 . 1 1 125 125 THR CA C 13 59.5644 0.3 . 1 . . . . 120 THR CA . 18103 1 584 . 1 1 125 125 THR CB C 13 68.0884 0.3 . 1 . . . . 120 THR CB . 18103 1 585 . 1 1 125 125 THR N N 15 119.453 0.23 . 1 . . . . 120 THR N . 18103 1 586 . 1 1 126 126 PRO C C 13 180.1524 0.15 . 1 . . . . 121 PRO C . 18103 1 587 . 1 1 126 126 PRO CA C 13 64.8154 0.3 . 1 . . . . 121 PRO CA . 18103 1 588 . 1 1 126 126 PRO CB C 13 30.53 0.3 . 1 . . . . 121 PRO CB . 18103 1 589 . 1 1 127 127 GLU H H 1 8.411 0.007 . 1 . . . . 122 GLU H . 18103 1 590 . 1 1 127 127 GLU C C 13 178.9894 0.15 . 1 . . . . 122 GLU C . 18103 1 591 . 1 1 127 127 GLU CA C 13 59.3164 0.3 . 1 . . . . 122 GLU CA . 18103 1 592 . 1 1 127 127 GLU CB C 13 28.1444 0.3 . 1 . . . . 122 GLU CB . 18103 1 593 . 1 1 127 127 GLU N N 15 118.952 0.23 . 1 . . . . 122 GLU N . 18103 1 594 . 1 1 128 128 LEU H H 1 7.601 0.007 . 1 . . . . 123 LEU H . 18103 1 595 . 1 1 128 128 LEU C C 13 177.6294 0.15 . 1 . . . . 123 LEU C . 18103 1 596 . 1 1 128 128 LEU CA C 13 57.1174 0.3 . 1 . . . . 123 LEU CA . 18103 1 597 . 1 1 128 128 LEU CB C 13 39.7074 0.3 . 1 . . . . 123 LEU CB . 18103 1 598 . 1 1 128 128 LEU N N 15 122.786 0.23 . 1 . . . . 123 LEU N . 18103 1 599 . 1 1 129 129 ALA H H 1 8.437 0.007 . 1 . . . . 124 ALA H . 18103 1 600 . 1 1 129 129 ALA C C 13 179.4764 0.15 . 1 . . . . 124 ALA C . 18103 1 601 . 1 1 129 129 ALA CA C 13 55.0984 0.3 . 1 . . . . 124 ALA CA . 18103 1 602 . 1 1 129 129 ALA CB C 13 16.8584 0.3 . 1 . . . . 124 ALA CB . 18103 1 603 . 1 1 129 129 ALA N N 15 121.602 0.23 . 1 . . . . 124 ALA N . 18103 1 604 . 1 1 130 130 GLY H H 1 7.903 0.007 . 1 . . . . 125 GLY H . 18103 1 605 . 1 1 130 130 GLY C C 13 175.3924 0.15 . 1 . . . . 125 GLY C . 18103 1 606 . 1 1 130 130 GLY CA C 13 46.7364 0.3 . 1 . . . . 125 GLY CA . 18103 1 607 . 1 1 130 130 GLY N N 15 104.438 0.23 . 1 . . . . 125 GLY N . 18103 1 608 . 1 1 131 131 VAL H H 1 7.298 0.007 . 1 . . . . 126 VAL H . 18103 1 609 . 1 1 131 131 VAL C C 13 177.3774 0.15 . 1 . . . . 126 VAL C . 18103 1 610 . 1 1 131 131 VAL CA C 13 66.0384 0.3 . 1 . . . . 126 VAL CA . 18103 1 611 . 1 1 131 131 VAL CB C 13 30.4954 0.3 . 1 . . . . 126 VAL CB . 18103 1 612 . 1 1 131 131 VAL N N 15 122.159 0.23 . 1 . . . . 126 VAL N . 18103 1 613 . 1 1 132 132 ILE H H 1 8 0.007 . 1 . . . . 127 ILE H . 18103 1 614 . 1 1 132 132 ILE C C 13 177.0134 0.15 . 1 . . . . 127 ILE C . 18103 1 615 . 1 1 132 132 ILE CA C 13 66.6094 0.3 . 1 . . . . 127 ILE CA . 18103 1 616 . 1 1 132 132 ILE N N 15 118.615 0.23 . 1 . . . . 127 ILE N . 18103 1 617 . 1 1 133 133 LYS H H 1 8.37 0.007 . 1 . . . . 128 LYS H . 18103 1 618 . 1 1 133 133 LYS C C 13 179.1494 0.15 . 1 . . . . 128 LYS C . 18103 1 619 . 1 1 133 133 LYS CA C 13 60.2024 0.3 . 1 . . . . 128 LYS CA . 18103 1 620 . 1 1 133 133 LYS N N 15 120.549 0.23 . 1 . . . . 128 LYS N . 18103 1 621 . 1 1 134 134 ARG H H 1 7.818 0.007 . 1 . . . . 129 ARG H . 18103 1 622 . 1 1 134 134 ARG C C 13 180.3394 0.15 . 1 . . . . 129 ARG C . 18103 1 623 . 1 1 134 134 ARG CA C 13 59.9834 0.3 . 1 . . . . 129 ARG CA . 18103 1 624 . 1 1 134 134 ARG CB C 13 30.4284 0.3 . 1 . . . . 129 ARG CB . 18103 1 625 . 1 1 134 134 ARG N N 15 116.428 0.23 . 1 . . . . 129 ARG N . 18103 1 626 . 1 1 135 135 LEU H H 1 7.939 0.007 . 1 . . . . 130 LEU H . 18103 1 627 . 1 1 135 135 LEU C C 13 177.8004 0.15 . 1 . . . . 130 LEU C . 18103 1 628 . 1 1 135 135 LEU CA C 13 58.2514 0.3 . 1 . . . . 130 LEU CA . 18103 1 629 . 1 1 135 135 LEU N N 15 118.557 0.23 . 1 . . . . 130 LEU N . 18103 1 630 . 1 1 136 136 TRP H H 1 8.906 0.007 . 1 . . . . 131 TRP H . 18103 1 631 . 1 1 136 136 TRP C C 13 175.7374 0.15 . 1 . . . . 131 TRP C . 18103 1 632 . 1 1 136 136 TRP CA C 13 57.9064 0.3 . 1 . . . . 131 TRP CA . 18103 1 633 . 1 1 136 136 TRP CB C 13 29.8374 0.3 . 1 . . . . 131 TRP CB . 18103 1 634 . 1 1 136 136 TRP N N 15 118.314 0.23 . 1 . . . . 131 TRP N . 18103 1 635 . 1 1 137 137 ARG H H 1 7.159 0.007 . 1 . . . . 132 ARG H . 18103 1 636 . 1 1 137 137 ARG C C 13 176.3554 0.15 . 1 . . . . 132 ARG C . 18103 1 637 . 1 1 137 137 ARG CA C 13 55.0474 0.3 . 1 . . . . 132 ARG CA . 18103 1 638 . 1 1 137 137 ARG CB C 13 29.5634 0.3 . 1 . . . . 132 ARG CB . 18103 1 639 . 1 1 137 137 ARG N N 15 113.192 0.23 . 1 . . . . 132 ARG N . 18103 1 640 . 1 1 138 138 ASP H H 1 7.65 0.007 . 1 . . . . 133 ASP H . 18103 1 641 . 1 1 138 138 ASP C C 13 177.0764 0.15 . 1 . . . . 133 ASP C . 18103 1 642 . 1 1 138 138 ASP CA C 13 55.0044 0.3 . 1 . . . . 133 ASP CA . 18103 1 643 . 1 1 138 138 ASP CB C 13 44.0074 0.3 . 1 . . . . 133 ASP CB . 18103 1 644 . 1 1 138 138 ASP N N 15 123.6 0.23 . 1 . . . . 133 ASP N . 18103 1 645 . 1 1 139 139 GLY H H 1 9.003 0.007 . 1 . . . . 134 GLY H . 18103 1 646 . 1 1 139 139 GLY C C 13 177.1594 0.15 . 1 . . . . 134 GLY C . 18103 1 647 . 1 1 139 139 GLY CA C 13 46.9744 0.3 . 1 . . . . 134 GLY CA . 18103 1 648 . 1 1 139 139 GLY N N 15 112.737 0.23 . 1 . . . . 134 GLY N . 18103 1 649 . 1 1 140 140 GLY H H 1 8.606 0.007 . 1 . . . . 135 GLY H . 18103 1 650 . 1 1 140 140 GLY C C 13 175.4304 0.15 . 1 . . . . 135 GLY C . 18103 1 651 . 1 1 140 140 GLY CA C 13 46.0854 0.3 . 1 . . . . 135 GLY CA . 18103 1 652 . 1 1 140 140 GLY N N 15 114.195 0.23 . 1 . . . . 135 GLY N . 18103 1 653 . 1 1 141 141 VAL H H 1 7.715 0.007 . 1 . . . . 136 VAL H . 18103 1 654 . 1 1 141 141 VAL C C 13 179.8204 0.15 . 1 . . . . 136 VAL C . 18103 1 655 . 1 1 141 141 VAL CA C 13 65.7604 0.3 . 1 . . . . 136 VAL CA . 18103 1 656 . 1 1 141 141 VAL N N 15 126.866 0.23 . 1 . . . . 136 VAL N . 18103 1 657 . 1 1 142 142 GLN H H 1 8.355 0.007 . 1 . . . . 137 GLN H . 18103 1 658 . 1 1 142 142 GLN C C 13 179.0294 0.15 . 1 . . . . 137 GLN C . 18103 1 659 . 1 1 142 142 GLN CA C 13 57.8974 0.3 . 1 . . . . 137 GLN CA . 18103 1 660 . 1 1 142 142 GLN CB C 13 27.1124 0.3 . 1 . . . . 137 GLN CB . 18103 1 661 . 1 1 142 142 GLN N N 15 118.054 0.23 . 1 . . . . 137 GLN N . 18103 1 662 . 1 1 143 143 ALA H H 1 7.95 0.007 . 1 . . . . 138 ALA H . 18103 1 663 . 1 1 143 143 ALA C C 13 180.7214 0.15 . 1 . . . . 138 ALA C . 18103 1 664 . 1 1 143 143 ALA CA C 13 54.7014 0.3 . 1 . . . . 138 ALA CA . 18103 1 665 . 1 1 143 143 ALA CB C 13 16.5034 0.3 . 1 . . . . 138 ALA CB . 18103 1 666 . 1 1 143 143 ALA N N 15 125.69 0.23 . 1 . . . . 138 ALA N . 18103 1 667 . 1 1 144 144 CYS H H 1 8.268 0.007 . 1 . . . . 139 CYS H . 18103 1 668 . 1 1 144 144 CYS C C 13 180.2734 0.15 . 1 . . . . 139 CYS C . 18103 1 669 . 1 1 144 144 CYS CA C 13 60.3544 0.3 . 1 . . . . 139 CYS CA . 18103 1 670 . 1 1 144 144 CYS CB C 13 25.6944 0.3 . 1 . . . . 139 CYS CB . 18103 1 671 . 1 1 144 144 CYS N N 15 120.372 0.23 . 1 . . . . 139 CYS N . 18103 1 672 . 1 1 145 145 PHE H H 1 9.412 0.007 . 1 . . . . 140 PHE H . 18103 1 673 . 1 1 145 145 PHE C C 13 177.3564 0.15 . 1 . . . . 140 PHE C . 18103 1 674 . 1 1 145 145 PHE CA C 13 61.0674 0.3 . 1 . . . . 140 PHE CA . 18103 1 675 . 1 1 145 145 PHE CB C 13 38.2944 0.3 . 1 . . . . 140 PHE CB . 18103 1 676 . 1 1 145 145 PHE N N 15 127.287 0.23 . 1 . . . . 140 PHE N . 18103 1 677 . 1 1 146 146 SER H H 1 8.094 0.007 . 1 . . . . 141 SER H . 18103 1 678 . 1 1 146 146 SER C C 13 174.8904 0.15 . 1 . . . . 141 SER C . 18103 1 679 . 1 1 146 146 SER CA C 13 60.9414 0.3 . 1 . . . . 141 SER CA . 18103 1 680 . 1 1 146 146 SER CB C 13 62.7944 0.3 . 1 . . . . 141 SER CB . 18103 1 681 . 1 1 146 146 SER N N 15 115.557 0.23 . 1 . . . . 141 SER N . 18103 1 682 . 1 1 147 147 ARG H H 1 7.218 0.007 . 1 . . . . 142 ARG H . 18103 1 683 . 1 1 147 147 ARG C C 13 175.5794 0.15 . 1 . . . . 142 ARG C . 18103 1 684 . 1 1 147 147 ARG CA C 13 55.4664 0.3 . 1 . . . . 142 ARG CA . 18103 1 685 . 1 1 147 147 ARG CB C 13 29.2634 0.3 . 1 . . . . 142 ARG CB . 18103 1 686 . 1 1 147 147 ARG N N 15 123.049 0.23 . 1 . . . . 142 ARG N . 18103 1 687 . 1 1 148 148 SER H H 1 6.95 0.007 . 1 . . . . 143 SER H . 18103 1 688 . 1 1 148 148 SER C C 13 174.6954 0.15 . 1 . . . . 143 SER C . 18103 1 689 . 1 1 148 148 SER CA C 13 61.2084 0.3 . 1 . . . . 143 SER CA . 18103 1 690 . 1 1 148 148 SER CB C 13 62.3174 0.3 . 1 . . . . 143 SER CB . 18103 1 691 . 1 1 148 148 SER N N 15 114.755 0.23 . 1 . . . . 143 SER N . 18103 1 692 . 1 1 149 149 ARG H H 1 8.019 0.007 . 1 . . . . 144 ARG H . 18103 1 693 . 1 1 149 149 ARG C C 13 177.5724 0.15 . 1 . . . . 144 ARG C . 18103 1 694 . 1 1 149 149 ARG CA C 13 57.4164 0.3 . 1 . . . . 144 ARG CA . 18103 1 695 . 1 1 149 149 ARG CB C 13 27.2304 0.3 . 1 . . . . 144 ARG CB . 18103 1 696 . 1 1 149 149 ARG N N 15 120.599 0.23 . 1 . . . . 144 ARG N . 18103 1 697 . 1 1 150 150 GLU H H 1 8.353 0.007 . 1 . . . . 145 GLU H . 18103 1 698 . 1 1 150 150 GLU C C 13 175.0564 0.15 . 1 . . . . 145 GLU C . 18103 1 699 . 1 1 150 150 GLU CA C 13 56.7994 0.3 . 1 . . . . 145 GLU CA . 18103 1 700 . 1 1 150 150 GLU CB C 13 29.2084 0.3 . 1 . . . . 145 GLU CB . 18103 1 701 . 1 1 150 150 GLU N N 15 120.592 0.23 . 1 . . . . 145 GLU N . 18103 1 702 . 1 1 151 151 TYR H H 1 7.591 0.007 . 1 . . . . 146 TYR H . 18103 1 703 . 1 1 151 151 TYR C C 13 171.6544 0.15 . 1 . . . . 146 TYR C . 18103 1 704 . 1 1 151 151 TYR CA C 13 55.9384 0.3 . 1 . . . . 146 TYR CA . 18103 1 705 . 1 1 151 151 TYR CB C 13 35.8364 0.3 . 1 . . . . 146 TYR CB . 18103 1 706 . 1 1 151 151 TYR N N 15 120.815 0.23 . 1 . . . . 146 TYR N . 18103 1 707 . 1 1 152 152 GLN H H 1 7.884 0.007 . 1 . . . . 147 GLN H . 18103 1 708 . 1 1 152 152 GLN C C 13 175.0214 0.15 . 1 . . . . 147 GLN C . 18103 1 709 . 1 1 152 152 GLN CA C 13 53.5504 0.3 . 1 . . . . 147 GLN CA . 18103 1 710 . 1 1 152 152 GLN CB C 13 27.5824 0.3 . 1 . . . . 147 GLN CB . 18103 1 711 . 1 1 152 152 GLN N N 15 116.385 0.23 . 1 . . . . 147 GLN N . 18103 1 712 . 1 1 153 153 LEU H H 1 8.255 0.007 . 1 . . . . 148 LEU H . 18103 1 713 . 1 1 153 153 LEU C C 13 175.4994 0.15 . 1 . . . . 148 LEU C . 18103 1 714 . 1 1 153 153 LEU CA C 13 53.2224 0.3 . 1 . . . . 148 LEU CA . 18103 1 715 . 1 1 153 153 LEU CB C 13 45.0824 0.3 . 1 . . . . 148 LEU CB . 18103 1 716 . 1 1 153 153 LEU N N 15 127.647 0.23 . 1 . . . . 148 LEU N . 18103 1 717 . 1 1 154 154 ASN H H 1 8.853 0.007 . 1 . . . . 149 ASN H . 18103 1 718 . 1 1 154 154 ASN C C 13 176.2174 0.15 . 1 . . . . 149 ASN C . 18103 1 719 . 1 1 154 154 ASN CA C 13 53.8074 0.3 . 1 . . . . 149 ASN CA . 18103 1 720 . 1 1 154 154 ASN CB C 13 36.9804 0.3 . 1 . . . . 149 ASN CB . 18103 1 721 . 1 1 154 154 ASN N N 15 127.582 0.23 . 1 . . . . 149 ASN N . 18103 1 722 . 1 1 155 155 ASP H H 1 8.444 0.007 . 1 . . . . 150 ASP H . 18103 1 723 . 1 1 155 155 ASP C C 13 178.4464 0.15 . 1 . . . . 150 ASP C . 18103 1 724 . 1 1 155 155 ASP CA C 13 57.3454 0.3 . 1 . . . . 150 ASP CA . 18103 1 725 . 1 1 155 155 ASP CB C 13 40.9254 0.3 . 1 . . . . 150 ASP CB . 18103 1 726 . 1 1 155 155 ASP N N 15 124.451 0.23 . 1 . . . . 150 ASP N . 18103 1 727 . 1 1 156 156 SER H H 1 8.727 0.007 . 1 . . . . 151 SER H . 18103 1 728 . 1 1 156 156 SER C C 13 173.0464 0.15 . 1 . . . . 151 SER C . 18103 1 729 . 1 1 156 156 SER CA C 13 57.3204 0.3 . 1 . . . . 151 SER CA . 18103 1 730 . 1 1 156 156 SER CB C 13 63.0574 0.3 . 1 . . . . 151 SER CB . 18103 1 731 . 1 1 156 156 SER N N 15 114.084 0.23 . 1 . . . . 151 SER N . 18103 1 732 . 1 1 157 157 ALA H H 1 7.62 0.007 . 1 . . . . 152 ALA H . 18103 1 733 . 1 1 157 157 ALA C C 13 178.3124 0.15 . 1 . . . . 152 ALA C . 18103 1 734 . 1 1 157 157 ALA CA C 13 56.2524 0.3 . 1 . . . . 152 ALA CA . 18103 1 735 . 1 1 157 157 ALA CB C 13 17.8304 0.3 . 1 . . . . 152 ALA CB . 18103 1 736 . 1 1 157 157 ALA N N 15 123.333 0.23 . 1 . . . . 152 ALA N . 18103 1 737 . 1 1 158 158 SER H H 1 8.707 0.007 . 1 . . . . 153 SER H . 18103 1 738 . 1 1 158 158 SER C C 13 175.0054 0.15 . 1 . . . . 153 SER C . 18103 1 739 . 1 1 158 158 SER CA C 13 60.8124 0.3 . 1 . . . . 153 SER CA . 18103 1 740 . 1 1 158 158 SER CB C 13 62.0234 0.3 . 1 . . . . 153 SER CB . 18103 1 741 . 1 1 158 158 SER N N 15 110.64 0.23 . 1 . . . . 153 SER N . 18103 1 742 . 1 1 159 159 TYR H H 1 7.313 0.007 . 1 . . . . 154 TYR H . 18103 1 743 . 1 1 159 159 TYR C C 13 177.3864 0.15 . 1 . . . . 154 TYR C . 18103 1 744 . 1 1 159 159 TYR CA C 13 60.8674 0.3 . 1 . . . . 154 TYR CA . 18103 1 745 . 1 1 159 159 TYR CB C 13 36.2644 0.3 . 1 . . . . 154 TYR CB . 18103 1 746 . 1 1 159 159 TYR N N 15 124.558 0.23 . 1 . . . . 154 TYR N . 18103 1 747 . 1 1 160 160 TYR H H 1 7.245 0.007 . 1 . . . . 155 TYR H . 18103 1 748 . 1 1 160 160 TYR CA C 13 59.8394 0.3 . 1 . . . . 155 TYR CA . 18103 1 749 . 1 1 160 160 TYR CB C 13 38.1164 0.3 . 1 . . . . 155 TYR CB . 18103 1 750 . 1 1 160 160 TYR N N 15 116.832 0.23 . 1 . . . . 155 TYR N . 18103 1 751 . 1 1 161 161 LEU C C 13 179.4984 0.15 . 1 . . . . 156 LEU C . 18103 1 752 . 1 1 161 161 LEU CA C 13 57.4754 0.3 . 1 . . . . 156 LEU CA . 18103 1 753 . 1 1 161 161 LEU CB C 13 37.4214 0.3 . 1 . . . . 156 LEU CB . 18103 1 754 . 1 1 162 162 ASN H H 1 8.116 0.007 . 1 . . . . 157 ASN H . 18103 1 755 . 1 1 162 162 ASN C C 13 175.9594 0.15 . 1 . . . . 157 ASN C . 18103 1 756 . 1 1 162 162 ASN CA C 13 54.2864 0.3 . 1 . . . . 157 ASN CA . 18103 1 757 . 1 1 162 162 ASN CB C 13 36.9934 0.3 . 1 . . . . 157 ASN CB . 18103 1 758 . 1 1 162 162 ASN N N 15 115.455 0.23 . 1 . . . . 157 ASN N . 18103 1 759 . 1 1 163 163 ASP H H 1 7.07 0.007 . 1 . . . . 158 ASP H . 18103 1 760 . 1 1 163 163 ASP C C 13 176.6944 0.15 . 1 . . . . 158 ASP C . 18103 1 761 . 1 1 163 163 ASP CA C 13 51.8834 0.3 . 1 . . . . 158 ASP CA . 18103 1 762 . 1 1 163 163 ASP CB C 13 39.7104 0.3 . 1 . . . . 158 ASP CB . 18103 1 763 . 1 1 163 163 ASP N N 15 123.416 0.23 . 1 . . . . 158 ASP N . 18103 1 764 . 1 1 164 164 LEU H H 1 6.598 0.007 . 1 . . . . 159 LEU H . 18103 1 765 . 1 1 164 164 LEU C C 13 179.0994 0.15 . 1 . . . . 159 LEU C . 18103 1 766 . 1 1 164 164 LEU CA C 13 57.2634 0.3 . 1 . . . . 159 LEU CA . 18103 1 767 . 1 1 164 164 LEU CB C 13 42.3264 0.3 . 1 . . . . 159 LEU CB . 18103 1 768 . 1 1 164 164 LEU N N 15 120.958 0.23 . 1 . . . . 159 LEU N . 18103 1 769 . 1 1 165 165 ASP H H 1 8.582 0.007 . 1 . . . . 160 ASP H . 18103 1 770 . 1 1 165 165 ASP C C 13 177.2634 0.15 . 1 . . . . 160 ASP C . 18103 1 771 . 1 1 165 165 ASP CA C 13 57.6114 0.3 . 1 . . . . 160 ASP CA . 18103 1 772 . 1 1 165 165 ASP CB C 13 38.9794 0.3 . 1 . . . . 160 ASP CB . 18103 1 773 . 1 1 165 165 ASP N N 15 119.609 0.23 . 1 . . . . 160 ASP N . 18103 1 774 . 1 1 166 166 ARG H H 1 7.498 0.007 . 1 . . . . 161 ARG H . 18103 1 775 . 1 1 166 166 ARG C C 13 178.8744 0.15 . 1 . . . . 161 ARG C . 18103 1 776 . 1 1 166 166 ARG CA C 13 58.8584 0.3 . 1 . . . . 161 ARG CA . 18103 1 777 . 1 1 166 166 ARG CB C 13 30.1434 0.3 . 1 . . . . 161 ARG CB . 18103 1 778 . 1 1 166 166 ARG N N 15 120.946 0.23 . 1 . . . . 161 ARG N . 18103 1 779 . 1 1 167 167 ILE H H 1 7.366 0.007 . 1 . . . . 162 ILE H . 18103 1 780 . 1 1 167 167 ILE C C 13 175.3744 0.15 . 1 . . . . 162 ILE C . 18103 1 781 . 1 1 167 167 ILE CA C 13 62.1314 0.3 . 1 . . . . 162 ILE CA . 18103 1 782 . 1 1 167 167 ILE CB C 13 37.0834 0.3 . 1 . . . . 162 ILE CB . 18103 1 783 . 1 1 167 167 ILE N N 15 113.218 0.23 . 1 . . . . 162 ILE N . 18103 1 784 . 1 1 168 168 SER H H 1 7.869 0.007 . 1 . . . . 163 SER H . 18103 1 785 . 1 1 168 168 SER C C 13 174.0984 0.15 . 1 . . . . 163 SER C . 18103 1 786 . 1 1 168 168 SER CA C 13 58.6044 0.3 . 1 . . . . 163 SER CA . 18103 1 787 . 1 1 168 168 SER CB C 13 63.8954 0.3 . 1 . . . . 163 SER CB . 18103 1 788 . 1 1 168 168 SER N N 15 113.852 0.23 . 1 . . . . 163 SER N . 18103 1 789 . 1 1 169 169 GLN H H 1 6.688 0.007 . 1 . . . . 164 GLN H . 18103 1 790 . 1 1 169 169 GLN C C 13 178.1464 0.15 . 1 . . . . 164 GLN C . 18103 1 791 . 1 1 169 169 GLN CA C 13 55.7244 0.3 . 1 . . . . 164 GLN CA . 18103 1 792 . 1 1 169 169 GLN CB C 13 28.5104 0.3 . 1 . . . . 164 GLN CB . 18103 1 793 . 1 1 169 169 GLN N N 15 121.509 0.23 . 1 . . . . 164 GLN N . 18103 1 794 . 1 1 170 170 SER H H 1 8.95 0.007 . 1 . . . . 165 SER H . 18103 1 795 . 1 1 170 170 SER C C 13 175.6674 0.15 . 1 . . . . 165 SER C . 18103 1 796 . 1 1 170 170 SER CA C 13 62.1224 0.3 . 1 . . . . 165 SER CA . 18103 1 797 . 1 1 170 170 SER CB C 13 62.6114 0.3 . 1 . . . . 165 SER CB . 18103 1 798 . 1 1 170 170 SER N N 15 119.784 0.23 . 1 . . . . 165 SER N . 18103 1 799 . 1 1 171 171 ASN H H 1 8.106 0.007 . 1 . . . . 166 ASN H . 18103 1 800 . 1 1 171 171 ASN C C 13 174.8354 0.15 . 1 . . . . 166 ASN C . 18103 1 801 . 1 1 171 171 ASN CA C 13 51.6974 0.3 . 1 . . . . 166 ASN CA . 18103 1 802 . 1 1 171 171 ASN CB C 13 36.6794 0.3 . 1 . . . . 166 ASN CB . 18103 1 803 . 1 1 171 171 ASN N N 15 118.079 0.23 . 1 . . . . 166 ASN N . 18103 1 804 . 1 1 172 172 TYR H H 1 7.267 0.007 . 1 . . . . 167 TYR H . 18103 1 805 . 1 1 172 172 TYR C C 13 174.8854 0.15 . 1 . . . . 167 TYR C . 18103 1 806 . 1 1 172 172 TYR CA C 13 58.0454 0.3 . 1 . . . . 167 TYR CA . 18103 1 807 . 1 1 172 172 TYR CB C 13 39.1634 0.3 . 1 . . . . 167 TYR CB . 18103 1 808 . 1 1 172 172 TYR N N 15 121.127 0.23 . 1 . . . . 167 TYR N . 18103 1 809 . 1 1 173 173 ILE H H 1 7.462 0.007 . 1 . . . . 168 ILE H . 18103 1 810 . 1 1 173 173 ILE C C 13 172.7414 0.15 . 1 . . . . 168 ILE C . 18103 1 811 . 1 1 173 173 ILE CA C 13 57.1754 0.3 . 1 . . . . 168 ILE CA . 18103 1 812 . 1 1 173 173 ILE CB C 13 40.0714 0.3 . 1 . . . . 168 ILE CB . 18103 1 813 . 1 1 173 173 ILE N N 15 130.82 0.23 . 1 . . . . 168 ILE N . 18103 1 814 . 1 1 174 174 PRO C C 13 175.3104 0.15 . 1 . . . . 169 PRO C . 18103 1 815 . 1 1 174 174 PRO CA C 13 62.2354 0.3 . 1 . . . . 169 PRO CA . 18103 1 816 . 1 1 174 174 PRO CB C 13 31.9014 0.3 . 1 . . . . 169 PRO CB . 18103 1 817 . 1 1 175 175 THR H H 1 7.884 0.007 . 1 . . . . 170 THR H . 18103 1 818 . 1 1 175 175 THR C C 13 175.5334 0.15 . 1 . . . . 170 THR C . 18103 1 819 . 1 1 175 175 THR CA C 13 59.6384 0.3 . 1 . . . . 170 THR CA . 18103 1 820 . 1 1 175 175 THR CB C 13 71.1304 0.3 . 1 . . . . 170 THR CB . 18103 1 821 . 1 1 175 175 THR N N 15 112.155 0.23 . 1 . . . . 170 THR N . 18103 1 822 . 1 1 176 176 GLN H H 1 8.717 0.007 . 1 . . . . 171 GLN H . 18103 1 823 . 1 1 176 176 GLN C C 13 178.1114 0.15 . 1 . . . . 171 GLN C . 18103 1 824 . 1 1 176 176 GLN CA C 13 59.9564 0.3 . 1 . . . . 171 GLN CA . 18103 1 825 . 1 1 176 176 GLN CB C 13 27.6874 0.3 . 1 . . . . 171 GLN CB . 18103 1 826 . 1 1 176 176 GLN N N 15 119.273 0.23 . 1 . . . . 171 GLN N . 18103 1 827 . 1 1 177 177 GLN H H 1 8.173 0.007 . 1 . . . . 172 GLN H . 18103 1 828 . 1 1 177 177 GLN C C 13 177.1784 0.15 . 1 . . . . 172 GLN C . 18103 1 829 . 1 1 177 177 GLN CA C 13 57.8784 0.3 . 1 . . . . 172 GLN CA . 18103 1 830 . 1 1 177 177 GLN CB C 13 26.4574 0.3 . 1 . . . . 172 GLN CB . 18103 1 831 . 1 1 177 177 GLN N N 15 118.287 0.23 . 1 . . . . 172 GLN N . 18103 1 832 . 1 1 178 178 ASP H H 1 7.78 0.007 . 1 . . . . 173 ASP H . 18103 1 833 . 1 1 178 178 ASP CA C 13 57.2704 0.3 . 1 . . . . 173 ASP CA . 18103 1 834 . 1 1 178 178 ASP CB C 13 39.9764 0.3 . 1 . . . . 173 ASP CB . 18103 1 835 . 1 1 178 178 ASP N N 15 119.732 0.23 . 1 . . . . 173 ASP N . 18103 1 836 . 1 1 179 179 VAL C C 13 179.328 0.15 . 1 . . . . 174 VAL C . 18103 1 837 . 1 1 179 179 VAL CA C 13 66.376 0.3 . 1 . . . . 174 VAL CA . 18103 1 838 . 1 1 179 179 VAL CB C 13 38.0414 0.3 . 1 . . . . 174 VAL CB . 18103 1 839 . 1 1 180 180 LEU H H 1 8.002 0.007 . 1 . . . . 175 LEU H . 18103 1 840 . 1 1 180 180 LEU C C 13 177.3214 0.15 . 1 . . . . 175 LEU C . 18103 1 841 . 1 1 180 180 LEU CA C 13 57.5354 0.3 . 1 . . . . 175 LEU CA . 18103 1 842 . 1 1 180 180 LEU CB C 13 41.2634 0.3 . 1 . . . . 175 LEU CB . 18103 1 843 . 1 1 180 180 LEU N N 15 123.625 0.23 . 1 . . . . 175 LEU N . 18103 1 844 . 1 1 181 181 ARG H H 1 7.187 0.007 . 1 . . . . 176 ARG H . 18103 1 845 . 1 1 181 181 ARG C C 13 178.2514 0.15 . 1 . . . . 176 ARG C . 18103 1 846 . 1 1 181 181 ARG CA C 13 54.8974 0.3 . 1 . . . . 176 ARG CA . 18103 1 847 . 1 1 181 181 ARG CB C 13 29.2624 0.3 . 1 . . . . 176 ARG CB . 18103 1 848 . 1 1 181 181 ARG N N 15 115.565 0.23 . 1 . . . . 176 ARG N . 18103 1 849 . 1 1 182 182 THR H H 1 7.289 0.007 . 1 . . . . 177 THR H . 18103 1 850 . 1 1 182 182 THR C C 13 174.2184 0.15 . 1 . . . . 177 THR C . 18103 1 851 . 1 1 182 182 THR CA C 13 62.4614 0.3 . 1 . . . . 177 THR CA . 18103 1 852 . 1 1 182 182 THR CB C 13 72.3544 0.3 . 1 . . . . 177 THR CB . 18103 1 853 . 1 1 182 182 THR N N 15 115.856 0.23 . 1 . . . . 177 THR N . 18103 1 854 . 1 1 183 183 ARG H H 1 9.269 0.007 . 1 . . . . 178 ARG H . 18103 1 855 . 1 1 183 183 ARG C C 13 175.5904 0.15 . 1 . . . . 178 ARG C . 18103 1 856 . 1 1 183 183 ARG CA C 13 54.7374 0.3 . 1 . . . . 178 ARG CA . 18103 1 857 . 1 1 183 183 ARG CB C 13 31.0604 0.3 . 1 . . . . 178 ARG CB . 18103 1 858 . 1 1 183 183 ARG N N 15 121.529 0.23 . 1 . . . . 178 ARG N . 18103 1 859 . 1 1 184 184 VAL H H 1 8.699 0.007 . 1 . . . . 179 VAL H . 18103 1 860 . 1 1 184 184 VAL C C 13 175.0464 0.15 . 1 . . . . 179 VAL C . 18103 1 861 . 1 1 184 184 VAL CA C 13 61.9134 0.3 . 1 . . . . 179 VAL CA . 18103 1 862 . 1 1 184 184 VAL CB C 13 34.3584 0.3 . 1 . . . . 179 VAL CB . 18103 1 863 . 1 1 184 184 VAL N N 15 130.307 0.23 . 1 . . . . 179 VAL N . 18103 1 864 . 1 1 185 185 LYS H H 1 8.684 0.007 . 1 . . . . 180 LYS H . 18103 1 865 . 1 1 185 185 LYS C C 13 176.4834 0.15 . 1 . . . . 180 LYS C . 18103 1 866 . 1 1 185 185 LYS CA C 13 57.2894 0.3 . 1 . . . . 180 LYS CA . 18103 1 867 . 1 1 185 185 LYS CB C 13 32.1544 0.3 . 1 . . . . 180 LYS CB . 18103 1 868 . 1 1 185 185 LYS N N 15 130.202 0.23 . 1 . . . . 180 LYS N . 18103 1 869 . 1 1 186 186 THR H H 1 8.591 0.007 . 1 . . . . 181 THR H . 18103 1 870 . 1 1 186 186 THR C C 13 173.5804 0.15 . 1 . . . . 181 THR C . 18103 1 871 . 1 1 186 186 THR CA C 13 63.6694 0.3 . 1 . . . . 181 THR CA . 18103 1 872 . 1 1 186 186 THR CB C 13 68.2524 0.3 . 1 . . . . 181 THR CB . 18103 1 873 . 1 1 186 186 THR N N 15 126.529 0.23 . 1 . . . . 181 THR N . 18103 1 874 . 1 1 187 187 THR H H 1 8 0.007 . 1 . . . . 182 THR H . 18103 1 875 . 1 1 187 187 THR C C 13 173.9724 0.15 . 1 . . . . 182 THR C . 18103 1 876 . 1 1 187 187 THR CA C 13 59.4234 0.3 . 1 . . . . 182 THR CA . 18103 1 877 . 1 1 187 187 THR CB C 13 69.8724 0.3 . 1 . . . . 182 THR CB . 18103 1 878 . 1 1 187 187 THR N N 15 118.932 0.23 . 1 . . . . 182 THR N . 18103 1 879 . 1 1 188 188 GLY H H 1 8.148 0.007 . 1 . . . . 183 GLY H . 18103 1 880 . 1 1 188 188 GLY C C 13 171.4394 0.15 . 1 . . . . 183 GLY C . 18103 1 881 . 1 1 188 188 GLY CA C 13 44.7954 0.3 . 1 . . . . 183 GLY CA . 18103 1 882 . 1 1 188 188 GLY N N 15 111.495 0.23 . 1 . . . . 183 GLY N . 18103 1 883 . 1 1 189 189 ILE H H 1 7.925 0.007 . 1 . . . . 184 ILE H . 18103 1 884 . 1 1 189 189 ILE C C 13 176.4364 0.15 . 1 . . . . 184 ILE C . 18103 1 885 . 1 1 189 189 ILE CA C 13 60.2564 0.3 . 1 . . . . 184 ILE CA . 18103 1 886 . 1 1 189 189 ILE CB C 13 39.4954 0.3 . 1 . . . . 184 ILE CB . 18103 1 887 . 1 1 189 189 ILE N N 15 120.9 0.23 . 1 . . . . 184 ILE N . 18103 1 888 . 1 1 190 190 VAL H H 1 9.159 0.007 . 1 . . . . 185 VAL H . 18103 1 889 . 1 1 190 190 VAL C C 13 174.2934 0.15 . 1 . . . . 185 VAL C . 18103 1 890 . 1 1 190 190 VAL CA C 13 61.1794 0.3 . 1 . . . . 185 VAL CA . 18103 1 891 . 1 1 190 190 VAL CB C 13 33.5644 0.3 . 1 . . . . 185 VAL CB . 18103 1 892 . 1 1 190 190 VAL N N 15 130.929 0.23 . 1 . . . . 185 VAL N . 18103 1 893 . 1 1 191 191 GLU H H 1 8.557 0.007 . 1 . . . . 186 GLU H . 18103 1 894 . 1 1 191 191 GLU C C 13 175.6554 0.15 . 1 . . . . 186 GLU C . 18103 1 895 . 1 1 191 191 GLU CA C 13 54.0714 0.3 . 1 . . . . 186 GLU CA . 18103 1 896 . 1 1 191 191 GLU CB C 13 31.1224 0.3 . 1 . . . . 186 GLU CB . 18103 1 897 . 1 1 191 191 GLU N N 15 130.562 0.23 . 1 . . . . 186 GLU N . 18103 1 898 . 1 1 192 192 THR H H 1 8.76 0.007 . 1 . . . . 187 THR H . 18103 1 899 . 1 1 192 192 THR C C 13 172.3644 0.15 . 1 . . . . 187 THR C . 18103 1 900 . 1 1 192 192 THR CA C 13 60.6954 0.3 . 1 . . . . 187 THR CA . 18103 1 901 . 1 1 192 192 THR CB C 13 70.5924 0.3 . 1 . . . . 187 THR CB . 18103 1 902 . 1 1 192 192 THR N N 15 122.402 0.23 . 1 . . . . 187 THR N . 18103 1 903 . 1 1 193 193 HIS H H 1 8.41 0.007 . 1 . . . . 188 HIS H . 18103 1 904 . 1 1 193 193 HIS C C 13 174.1144 0.15 . 1 . . . . 188 HIS C . 18103 1 905 . 1 1 193 193 HIS CA C 13 52.3914 0.3 . 1 . . . . 188 HIS CA . 18103 1 906 . 1 1 193 193 HIS CB C 13 31.6484 0.3 . 1 . . . . 188 HIS CB . 18103 1 907 . 1 1 193 193 HIS N N 15 122.763 0.23 . 1 . . . . 188 HIS N . 18103 1 908 . 1 1 194 194 PHE H H 1 7.946 0.007 . 1 . . . . 189 PHE H . 18103 1 909 . 1 1 194 194 PHE C C 13 172.2764 0.15 . 1 . . . . 189 PHE C . 18103 1 910 . 1 1 194 194 PHE CA C 13 56.6844 0.3 . 1 . . . . 189 PHE CA . 18103 1 911 . 1 1 194 194 PHE CB C 13 38.9364 0.3 . 1 . . . . 189 PHE CB . 18103 1 912 . 1 1 194 194 PHE N N 15 116.639 0.23 . 1 . . . . 189 PHE N . 18103 1 913 . 1 1 195 195 THR H H 1 8.673 0.007 . 1 . . . . 190 THR H . 18103 1 914 . 1 1 195 195 THR C C 13 174.0624 0.15 . 1 . . . . 190 THR C . 18103 1 915 . 1 1 195 195 THR CA C 13 60.2394 0.3 . 1 . . . . 190 THR CA . 18103 1 916 . 1 1 195 195 THR CB C 13 70.1944 0.3 . 1 . . . . 190 THR CB . 18103 1 917 . 1 1 195 195 THR N N 15 115.851 0.23 . 1 . . . . 190 THR N . 18103 1 918 . 1 1 196 196 PHE H H 1 8.902 0.007 . 1 . . . . 191 PHE H . 18103 1 919 . 1 1 196 196 PHE C C 13 173.7564 0.15 . 1 . . . . 191 PHE C . 18103 1 920 . 1 1 196 196 PHE CA C 13 56.9334 0.3 . 1 . . . . 191 PHE CA . 18103 1 921 . 1 1 196 196 PHE CB C 13 41.1504 0.3 . 1 . . . . 191 PHE CB . 18103 1 922 . 1 1 196 196 PHE N N 15 126.406 0.23 . 1 . . . . 191 PHE N . 18103 1 923 . 1 1 197 197 LYS H H 1 8.746 0.007 . 1 . . . . 192 LYS H . 18103 1 924 . 1 1 197 197 LYS C C 13 174.6774 0.15 . 1 . . . . 192 LYS C . 18103 1 925 . 1 1 197 197 LYS CA C 13 57.6484 0.3 . 1 . . . . 192 LYS CA . 18103 1 926 . 1 1 197 197 LYS CB C 13 28.2784 0.3 . 1 . . . . 192 LYS CB . 18103 1 927 . 1 1 197 197 LYS N N 15 127.299 0.23 . 1 . . . . 192 LYS N . 18103 1 928 . 1 1 198 198 ASP H H 1 8.31 0.007 . 1 . . . . 193 ASP H . 18103 1 929 . 1 1 198 198 ASP C C 13 174.2054 0.15 . 1 . . . . 193 ASP C . 18103 1 930 . 1 1 198 198 ASP CA C 13 55.4514 0.3 . 1 . . . . 193 ASP CA . 18103 1 931 . 1 1 198 198 ASP CB C 13 39.2374 0.3 . 1 . . . . 193 ASP CB . 18103 1 932 . 1 1 198 198 ASP N N 15 110.729 0.23 . 1 . . . . 193 ASP N . 18103 1 933 . 1 1 199 199 LEU H H 1 7.941 0.007 . 1 . . . . 194 LEU H . 18103 1 934 . 1 1 199 199 LEU C C 13 175.0594 0.15 . 1 . . . . 194 LEU C . 18103 1 935 . 1 1 199 199 LEU CA C 13 53.3144 0.3 . 1 . . . . 194 LEU CA . 18103 1 936 . 1 1 199 199 LEU CB C 13 42.8554 0.3 . 1 . . . . 194 LEU CB . 18103 1 937 . 1 1 199 199 LEU N N 15 121.18 0.23 . 1 . . . . 194 LEU N . 18103 1 938 . 1 1 200 200 TYR H H 1 8.354 0.007 . 1 . . . . 195 TYR H . 18103 1 939 . 1 1 200 200 TYR C C 13 174.0624 0.15 . 1 . . . . 195 TYR C . 18103 1 940 . 1 1 200 200 TYR CA C 13 56.2104 0.3 . 1 . . . . 195 TYR CA . 18103 1 941 . 1 1 200 200 TYR CB C 13 38.3184 0.3 . 1 . . . . 195 TYR CB . 18103 1 942 . 1 1 200 200 TYR N N 15 124.491 0.23 . 1 . . . . 195 TYR N . 18103 1 943 . 1 1 201 201 PHE H H 1 8.849 0.007 . 1 . . . . 196 PHE H . 18103 1 944 . 1 1 201 201 PHE C C 13 175.0064 0.15 . 1 . . . . 196 PHE C . 18103 1 945 . 1 1 201 201 PHE CA C 13 57.3274 0.3 . 1 . . . . 196 PHE CA . 18103 1 946 . 1 1 201 201 PHE CB C 13 39.8614 0.3 . 1 . . . . 196 PHE CB . 18103 1 947 . 1 1 201 201 PHE N N 15 126.322 0.23 . 1 . . . . 196 PHE N . 18103 1 948 . 1 1 202 202 LYS H H 1 8.624 0.007 . 1 . . . . 197 LYS H . 18103 1 949 . 1 1 202 202 LYS C C 13 173.7564 0.15 . 1 . . . . 197 LYS C . 18103 1 950 . 1 1 202 202 LYS CA C 13 54.6264 0.3 . 1 . . . . 197 LYS CA . 18103 1 951 . 1 1 202 202 LYS CB C 13 31.9124 0.3 . 1 . . . . 197 LYS CB . 18103 1 952 . 1 1 202 202 LYS N N 15 121.993 0.23 . 1 . . . . 197 LYS N . 18103 1 953 . 1 1 203 203 MET H H 1 8.849 0.007 . 1 . . . . 198 MET H . 18103 1 954 . 1 1 203 203 MET C C 13 174.1154 0.15 . 1 . . . . 198 MET C . 18103 1 955 . 1 1 203 203 MET CA C 13 53.6784 0.3 . 1 . . . . 198 MET CA . 18103 1 956 . 1 1 203 203 MET CB C 13 34.8954 0.3 . 1 . . . . 198 MET CB . 18103 1 957 . 1 1 203 203 MET N N 15 125.782 0.23 . 1 . . . . 198 MET N . 18103 1 958 . 1 1 204 204 PHE H H 1 8.982 0.007 . 1 . . . . 199 PHE H . 18103 1 959 . 1 1 204 204 PHE C C 13 172.1014 0.15 . 1 . . . . 199 PHE C . 18103 1 960 . 1 1 204 204 PHE CA C 13 57.1244 0.3 . 1 . . . . 199 PHE CA . 18103 1 961 . 1 1 204 204 PHE CB C 13 41.4174 0.3 . 1 . . . . 199 PHE CB . 18103 1 962 . 1 1 204 204 PHE N N 15 127.786 0.23 . 1 . . . . 199 PHE N . 18103 1 963 . 1 1 205 205 ASP H H 1 8.987 0.007 . 1 . . . . 200 ASP H . 18103 1 964 . 1 1 205 205 ASP C C 13 174.4334 0.15 . 1 . . . . 200 ASP C . 18103 1 965 . 1 1 205 205 ASP CA C 13 52.1234 0.3 . 1 . . . . 200 ASP CA . 18103 1 966 . 1 1 205 205 ASP CB C 13 43.2144 0.3 . 1 . . . . 200 ASP CB . 18103 1 967 . 1 1 205 205 ASP N N 15 124.433 0.23 . 1 . . . . 200 ASP N . 18103 1 968 . 1 1 206 206 VAL H H 1 7.037 0.007 . 1 . . . . 201 VAL H . 18103 1 969 . 1 1 206 206 VAL C C 13 176.1144 0.15 . 1 . . . . 201 VAL C . 18103 1 970 . 1 1 206 206 VAL CA C 13 57.6434 0.3 . 1 . . . . 201 VAL CA . 18103 1 971 . 1 1 206 206 VAL CB C 13 34.8734 0.3 . 1 . . . . 201 VAL CB . 18103 1 972 . 1 1 206 206 VAL N N 15 116.926 0.23 . 1 . . . . 201 VAL N . 18103 1 973 . 1 1 207 207 GLY H H 1 9.185 0.007 . 1 . . . . 202 GLY H . 18103 1 974 . 1 1 207 207 GLY C C 13 174.5444 0.15 . 1 . . . . 202 GLY C . 18103 1 975 . 1 1 207 207 GLY CA C 13 46.4384 0.3 . 1 . . . . 202 GLY CA . 18103 1 976 . 1 1 207 207 GLY N N 15 111.366 0.23 . 1 . . . . 202 GLY N . 18103 1 977 . 1 1 208 208 GLY H H 1 9.949 0.007 . 1 . . . . 203 GLY H . 18103 1 978 . 1 1 208 208 GLY C C 13 177.2584 0.15 . 1 . . . . 203 GLY C . 18103 1 979 . 1 1 208 208 GLY CA C 13 45.2124 0.3 . 1 . . . . 203 GLY CA . 18103 1 980 . 1 1 208 208 GLY N N 15 112.727 0.23 . 1 . . . . 203 GLY N . 18103 1 981 . 1 1 209 209 GLN H H 1 7.84 0.007 . 1 . . . . 204 GLN H . 18103 1 982 . 1 1 209 209 GLN C C 13 178.2474 0.15 . 1 . . . . 204 GLN C . 18103 1 983 . 1 1 209 209 GLN CA C 13 56.6064 0.3 . 1 . . . . 204 GLN CA . 18103 1 984 . 1 1 209 209 GLN CB C 13 27.8004 0.3 . 1 . . . . 204 GLN CB . 18103 1 985 . 1 1 209 209 GLN N N 15 121.568 0.23 . 1 . . . . 204 GLN N . 18103 1 986 . 1 1 210 210 ARG H H 1 9.69 0.007 . 1 . . . . 205 ARG H . 18103 1 987 . 1 1 210 210 ARG C C 13 179.2454 0.15 . 1 . . . . 205 ARG C . 18103 1 988 . 1 1 210 210 ARG CA C 13 61.7454 0.3 . 1 . . . . 205 ARG CA . 18103 1 989 . 1 1 210 210 ARG CB C 13 29.6614 0.3 . 1 . . . . 205 ARG CB . 18103 1 990 . 1 1 210 210 ARG N N 15 122.247 0.23 . 1 . . . . 205 ARG N . 18103 1 991 . 1 1 211 211 SER C C 13 175.9244 0.15 . 1 . . . . 206 SER C . 18103 1 992 . 1 1 211 211 SER CA C 13 60.9384 0.3 . 1 . . . . 206 SER CA . 18103 1 993 . 1 1 211 211 SER CB C 13 61.8944 0.3 . 1 . . . . 206 SER CB . 18103 1 994 . 1 1 212 212 GLU H H 1 7.652 0.007 . 1 . . . . 207 GLU H . 18103 1 995 . 1 1 212 212 GLU C C 13 178.1774 0.15 . 1 . . . . 207 GLU C . 18103 1 996 . 1 1 212 212 GLU CA C 13 55.8094 0.3 . 1 . . . . 207 GLU CA . 18103 1 997 . 1 1 212 212 GLU CB C 13 29.8644 0.3 . 1 . . . . 207 GLU CB . 18103 1 998 . 1 1 212 212 GLU N N 15 120.368 0.23 . 1 . . . . 207 GLU N . 18103 1 999 . 1 1 213 213 ARG H H 1 6.97 0.007 . 1 . . . . 208 ARG H . 18103 1 1000 . 1 1 213 213 ARG C C 13 178.4624 0.15 . 1 . . . . 208 ARG C . 18103 1 1001 . 1 1 213 213 ARG CA C 13 57.7354 0.3 . 1 . . . . 208 ARG CA . 18103 1 1002 . 1 1 213 213 ARG CB C 13 27.8944 0.3 . 1 . . . . 208 ARG CB . 18103 1 1003 . 1 1 213 213 ARG N N 15 117.284 0.23 . 1 . . . . 208 ARG N . 18103 1 1004 . 1 1 214 214 LYS H H 1 7.718 0.007 . 1 . . . . 209 LYS H . 18103 1 1005 . 1 1 214 214 LYS C C 13 177.6674 0.15 . 1 . . . . 209 LYS C . 18103 1 1006 . 1 1 214 214 LYS CA C 13 57.8234 0.3 . 1 . . . . 209 LYS CA . 18103 1 1007 . 1 1 214 214 LYS CB C 13 30.3424 0.3 . 1 . . . . 209 LYS CB . 18103 1 1008 . 1 1 214 214 LYS N N 15 118.862 0.23 . 1 . . . . 209 LYS N . 18103 1 1009 . 1 1 215 215 LYS H H 1 7.477 0.007 . 1 . . . . 210 LYS H . 18103 1 1010 . 1 1 215 215 LYS C C 13 177.6874 0.15 . 1 . . . . 210 LYS C . 18103 1 1011 . 1 1 215 215 LYS CA C 13 56.5754 0.3 . 1 . . . . 210 LYS CA . 18103 1 1012 . 1 1 215 215 LYS CB C 13 31.7084 0.3 . 1 . . . . 210 LYS CB . 18103 1 1013 . 1 1 215 215 LYS N N 15 117.262 0.23 . 1 . . . . 210 LYS N . 18103 1 1014 . 1 1 216 216 TRP H H 1 7.706 0.007 . 1 . . . . 211 TRP H . 18103 1 1015 . 1 1 216 216 TRP C C 13 176.7984 0.15 . 1 . . . . 211 TRP C . 18103 1 1016 . 1 1 216 216 TRP CA C 13 59.0994 0.3 . 1 . . . . 211 TRP CA . 18103 1 1017 . 1 1 216 216 TRP CB C 13 32.1244 0.3 . 1 . . . . 211 TRP CB . 18103 1 1018 . 1 1 216 216 TRP N N 15 118.672 0.23 . 1 . . . . 211 TRP N . 18103 1 1019 . 1 1 217 217 ILE H H 1 6.893 0.007 . 1 . . . . 212 ILE H . 18103 1 1020 . 1 1 217 217 ILE C C 13 180.3894 0.15 . 1 . . . . 212 ILE C . 18103 1 1021 . 1 1 217 217 ILE CA C 13 61.3984 0.3 . 1 . . . . 212 ILE CA . 18103 1 1022 . 1 1 217 217 ILE CB C 13 36.7404 0.3 . 1 . . . . 212 ILE CB . 18103 1 1023 . 1 1 217 217 ILE N N 15 112.853 0.23 . 1 . . . . 212 ILE N . 18103 1 1024 . 1 1 218 218 HIS H H 1 6.922 0.007 . 1 . . . . 213 HIS H . 18103 1 1025 . 1 1 218 218 HIS C C 13 176.6454 0.15 . 1 . . . . 213 HIS C . 18103 1 1026 . 1 1 218 218 HIS CA C 13 56.9674 0.3 . 1 . . . . 213 HIS CA . 18103 1 1027 . 1 1 218 218 HIS CB C 13 28.8914 0.3 . 1 . . . . 213 HIS CB . 18103 1 1028 . 1 1 218 218 HIS N N 15 119.744 0.23 . 1 . . . . 213 HIS N . 18103 1 1029 . 1 1 219 219 CYS H H 1 8.128 0.007 . 1 . . . . 214 CYS H . 18103 1 1030 . 1 1 219 219 CYS C C 13 175.2614 0.15 . 1 . . . . 214 CYS C . 18103 1 1031 . 1 1 219 219 CYS CA C 13 58.1404 0.3 . 1 . . . . 214 CYS CA . 18103 1 1032 . 1 1 219 219 CYS N N 15 116.336 0.23 . 1 . . . . 214 CYS N . 18103 1 1033 . 1 1 220 220 PHE H H 1 6.736 0.007 . 1 . . . . 215 PHE H . 18103 1 1034 . 1 1 220 220 PHE C C 13 175.2114 0.15 . 1 . . . . 215 PHE C . 18103 1 1035 . 1 1 220 220 PHE CA C 13 56.4204 0.3 . 1 . . . . 215 PHE CA . 18103 1 1036 . 1 1 220 220 PHE CB C 13 36.1244 0.3 . 1 . . . . 215 PHE CB . 18103 1 1037 . 1 1 220 220 PHE N N 15 117.336 0.23 . 1 . . . . 215 PHE N . 18103 1 1038 . 1 1 221 221 GLU H H 1 7.877 0.007 . 1 . . . . 216 GLU H . 18103 1 1039 . 1 1 221 221 GLU C C 13 178.0314 0.15 . 1 . . . . 216 GLU C . 18103 1 1040 . 1 1 221 221 GLU CA C 13 56.8324 0.3 . 1 . . . . 216 GLU CA . 18103 1 1041 . 1 1 221 221 GLU CB C 13 28.7894 0.3 . 1 . . . . 216 GLU CB . 18103 1 1042 . 1 1 221 221 GLU N N 15 120.254 0.23 . 1 . . . . 216 GLU N . 18103 1 1043 . 1 1 222 222 GLY H H 1 8.9 0.007 . 1 . . . . 217 GLY H . 18103 1 1044 . 1 1 222 222 GLY C C 13 175.1264 0.15 . 1 . . . . 217 GLY C . 18103 1 1045 . 1 1 222 222 GLY CA C 13 46.6764 0.3 . 1 . . . . 217 GLY CA . 18103 1 1046 . 1 1 222 222 GLY N N 15 115.207 0.23 . 1 . . . . 217 GLY N . 18103 1 1047 . 1 1 223 223 VAL H H 1 8.012 0.007 . 1 . . . . 218 VAL H . 18103 1 1048 . 1 1 223 223 VAL C C 13 176.3104 0.15 . 1 . . . . 218 VAL C . 18103 1 1049 . 1 1 223 223 VAL CA C 13 63.9514 0.3 . 1 . . . . 218 VAL CA . 18103 1 1050 . 1 1 223 223 VAL CB C 13 31.2614 0.3 . 1 . . . . 218 VAL CB . 18103 1 1051 . 1 1 223 223 VAL N N 15 120.516 0.23 . 1 . . . . 218 VAL N . 18103 1 1052 . 1 1 224 224 THR H H 1 9.127 0.007 . 1 . . . . 219 THR H . 18103 1 1053 . 1 1 224 224 THR C C 13 176.3334 0.15 . 1 . . . . 219 THR C . 18103 1 1054 . 1 1 224 224 THR CA C 13 65.0494 0.3 . 1 . . . . 219 THR CA . 18103 1 1055 . 1 1 224 224 THR CB C 13 68.2604 0.3 . 1 . . . . 219 THR CB . 18103 1 1056 . 1 1 224 224 THR N N 15 129.617 0.23 . 1 . . . . 219 THR N . 18103 1 1057 . 1 1 225 225 ALA H H 1 7.821 0.007 . 1 . . . . 220 ALA H . 18103 1 1058 . 1 1 225 225 ALA C C 13 173.9714 0.15 . 1 . . . . 220 ALA C . 18103 1 1059 . 1 1 225 225 ALA CA C 13 50.4664 0.3 . 1 . . . . 220 ALA CA . 18103 1 1060 . 1 1 225 225 ALA CB C 13 20.7924 0.3 . 1 . . . . 220 ALA CB . 18103 1 1061 . 1 1 225 225 ALA N N 15 121.139 0.23 . 1 . . . . 220 ALA N . 18103 1 1062 . 1 1 226 226 ILE H H 1 8.352 0.007 . 1 . . . . 221 ILE H . 18103 1 1063 . 1 1 226 226 ILE CA C 13 65.3874 0.3 . 1 . . . . 221 ILE CA . 18103 1 1064 . 1 1 226 226 ILE CB C 13 40.045 0.3 . 1 . . . . 221 ILE CB . 18103 1 1065 . 1 1 226 226 ILE N N 15 121.664 0.23 . 1 . . . . 221 ILE N . 18103 1 1066 . 1 1 227 227 ILE C C 13 173.2974 0.15 . 1 . . . . 222 ILE C . 18103 1 1067 . 1 1 227 227 ILE CA C 13 59.8444 0.3 . 1 . . . . 222 ILE CA . 18103 1 1068 . 1 1 228 228 PHE H H 1 9.581 0.007 . 1 . . . . 223 PHE H . 18103 1 1069 . 1 1 228 228 PHE C C 13 174.9864 0.15 . 1 . . . . 223 PHE C . 18103 1 1070 . 1 1 228 228 PHE CA C 13 55.5524 0.3 . 1 . . . . 223 PHE CA . 18103 1 1071 . 1 1 228 228 PHE N N 15 131.159 0.23 . 1 . . . . 223 PHE N . 18103 1 1072 . 1 1 229 229 CYS H H 1 8.603 0.007 . 1 . . . . 224 CYS H . 18103 1 1073 . 1 1 229 229 CYS C C 13 172.8464 0.15 . 1 . . . . 224 CYS C . 18103 1 1074 . 1 1 229 229 CYS CA C 13 59.0664 0.3 . 1 . . . . 224 CYS CA . 18103 1 1075 . 1 1 229 229 CYS CB C 13 24.886 0.3 . 1 . . . . 224 CYS CB . 18103 1 1076 . 1 1 229 229 CYS N N 15 127.23 0.23 . 1 . . . . 224 CYS N . 18103 1 1077 . 1 1 230 230 VAL H H 1 8.915 0.007 . 1 . . . . 225 VAL H . 18103 1 1078 . 1 1 230 230 VAL C C 13 174.4114 0.15 . 1 . . . . 225 VAL C . 18103 1 1079 . 1 1 230 230 VAL CA C 13 60.4594 0.3 . 1 . . . . 225 VAL CA . 18103 1 1080 . 1 1 230 230 VAL N N 15 124.991 0.23 . 1 . . . . 225 VAL N . 18103 1 1081 . 1 1 231 231 ALA H H 1 8.77 0.007 . 1 . . . . 226 ALA H . 18103 1 1082 . 1 1 231 231 ALA C C 13 177.2634 0.15 . 1 . . . . 226 ALA C . 18103 1 1083 . 1 1 231 231 ALA CA C 13 49.8484 0.3 . 1 . . . . 226 ALA CA . 18103 1 1084 . 1 1 231 231 ALA CB C 13 17.4604 0.3 . 1 . . . . 226 ALA CB . 18103 1 1085 . 1 1 231 231 ALA N N 15 129.194 0.23 . 1 . . . . 226 ALA N . 18103 1 1086 . 1 1 232 232 LEU H H 1 9.478 0.007 . 1 . . . . 227 LEU H . 18103 1 1087 . 1 1 232 232 LEU CA C 13 57.8604 0.3 . 1 . . . . 227 LEU CA . 18103 1 1088 . 1 1 232 232 LEU N N 15 130.25 0.23 . 1 . . . . 227 LEU N . 18103 1 1089 . 1 1 233 233 SER C C 13 173.2644 0.15 . 1 . . . . 228 SER C . 18103 1 1090 . 1 1 233 233 SER CA C 13 58.8614 0.3 . 1 . . . . 228 SER CA . 18103 1 1091 . 1 1 233 233 SER CB C 13 61.6474 0.3 . 1 . . . . 228 SER CB . 18103 1 1092 . 1 1 234 234 ASP H H 1 7.395 0.007 . 1 . . . . 229 ASP H . 18103 1 1093 . 1 1 234 234 ASP C C 13 177.5594 0.15 . 1 . . . . 229 ASP C . 18103 1 1094 . 1 1 234 234 ASP CA C 13 54.8314 0.3 . 1 . . . . 229 ASP CA . 18103 1 1095 . 1 1 234 234 ASP CB C 13 40.7854 0.3 . 1 . . . . 229 ASP CB . 18103 1 1096 . 1 1 234 234 ASP N N 15 122.979 0.23 . 1 . . . . 229 ASP N . 18103 1 1097 . 1 1 235 235 TYR H H 1 6.995 0.007 . 1 . . . . 230 TYR H . 18103 1 1098 . 1 1 235 235 TYR C C 13 173.5064 0.15 . 1 . . . . 230 TYR C . 18103 1 1099 . 1 1 235 235 TYR CA C 13 60.2604 0.3 . 1 . . . . 230 TYR CA . 18103 1 1100 . 1 1 235 235 TYR CB C 13 36.6574 0.3 . 1 . . . . 230 TYR CB . 18103 1 1101 . 1 1 235 235 TYR N N 15 114.612 0.23 . 1 . . . . 230 TYR N . 18103 1 1102 . 1 1 236 236 ASP H H 1 6.628 0.007 . 1 . . . . 231 ASP H . 18103 1 1103 . 1 1 236 236 ASP C C 13 174.9614 0.15 . 1 . . . . 231 ASP C . 18103 1 1104 . 1 1 236 236 ASP CA C 13 50.8314 0.3 . 1 . . . . 231 ASP CA . 18103 1 1105 . 1 1 236 236 ASP CB C 13 39.6324 0.3 . 1 . . . . 231 ASP CB . 18103 1 1106 . 1 1 236 236 ASP N N 15 120.162 0.23 . 1 . . . . 231 ASP N . 18103 1 1107 . 1 1 237 237 LEU H H 1 7.173 0.007 . 1 . . . . 232 LEU H . 18103 1 1108 . 1 1 237 237 LEU C C 13 177.4064 0.15 . 1 . . . . 232 LEU C . 18103 1 1109 . 1 1 237 237 LEU CA C 13 52.8564 0.3 . 1 . . . . 232 LEU CA . 18103 1 1110 . 1 1 237 237 LEU CB C 13 44.2714 0.3 . 1 . . . . 232 LEU CB . 18103 1 1111 . 1 1 237 237 LEU N N 15 119.511 0.23 . 1 . . . . 232 LEU N . 18103 1 1112 . 1 1 238 238 VAL H H 1 8.43 0.007 . 1 . . . . 233 VAL H . 18103 1 1113 . 1 1 238 238 VAL C C 13 178.9594 0.15 . 1 . . . . 233 VAL C . 18103 1 1114 . 1 1 238 238 VAL CA C 13 58.8814 0.3 . 1 . . . . 233 VAL CA . 18103 1 1115 . 1 1 238 238 VAL CB C 13 33.6684 0.3 . 1 . . . . 233 VAL CB . 18103 1 1116 . 1 1 238 238 VAL N N 15 113.617 0.23 . 1 . . . . 233 VAL N . 18103 1 1117 . 1 1 239 239 LEU H H 1 8.309 0.007 . 1 . . . . 234 LEU H . 18103 1 1118 . 1 1 239 239 LEU C C 13 177.0164 0.15 . 1 . . . . 234 LEU C . 18103 1 1119 . 1 1 239 239 LEU CA C 13 55.0094 0.3 . 1 . . . . 234 LEU CA . 18103 1 1120 . 1 1 239 239 LEU CB C 13 40.9574 0.3 . 1 . . . . 234 LEU CB . 18103 1 1121 . 1 1 239 239 LEU N N 15 126.22 0.23 . 1 . . . . 234 LEU N . 18103 1 1122 . 1 1 240 240 ALA H H 1 8.403 0.007 . 1 . . . . 235 ALA H . 18103 1 1123 . 1 1 240 240 ALA C C 13 180.8104 0.15 . 1 . . . . 235 ALA C . 18103 1 1124 . 1 1 240 240 ALA CA C 13 54.4534 0.3 . 1 . . . . 235 ALA CA . 18103 1 1125 . 1 1 240 240 ALA CB C 13 17.4934 0.3 . 1 . . . . 235 ALA CB . 18103 1 1126 . 1 1 240 240 ALA N N 15 126.07 0.23 . 1 . . . . 235 ALA N . 18103 1 1127 . 1 1 241 241 GLU H H 1 10.751 0.007 . 1 . . . . 236 GLU H . 18103 1 1128 . 1 1 241 241 GLU C C 13 176.5834 0.15 . 1 . . . . 236 GLU C . 18103 1 1129 . 1 1 241 241 GLU CA C 13 56.9984 0.3 . 1 . . . . 236 GLU CA . 18103 1 1130 . 1 1 241 241 GLU N N 15 116.307 0.23 . 1 . . . . 236 GLU N . 18103 1 1131 . 1 1 242 242 ASP H H 1 6.737 0.007 . 1 . . . . 237 ASP H . 18103 1 1132 . 1 1 242 242 ASP C C 13 174.6694 0.15 . 1 . . . . 237 ASP C . 18103 1 1133 . 1 1 242 242 ASP CA C 13 54.2114 0.3 . 1 . . . . 237 ASP CA . 18103 1 1134 . 1 1 242 242 ASP CB C 13 40.1134 0.3 . 1 . . . . 237 ASP CB . 18103 1 1135 . 1 1 242 242 ASP N N 15 117.915 0.23 . 1 . . . . 237 ASP N . 18103 1 1136 . 1 1 243 243 GLU H H 1 8.597 0.007 . 1 . . . . 238 GLU H . 18103 1 1137 . 1 1 243 243 GLU C C 13 175.6704 0.15 . 1 . . . . 238 GLU C . 18103 1 1138 . 1 1 243 243 GLU CA C 13 57.1934 0.3 . 1 . . . . 238 GLU CA . 18103 1 1139 . 1 1 243 243 GLU CB C 13 28.1444 0.3 . 1 . . . . 238 GLU CB . 18103 1 1140 . 1 1 243 243 GLU N N 15 124.206 0.23 . 1 . . . . 238 GLU N . 18103 1 1141 . 1 1 244 244 GLU H H 1 7.932 0.007 . 1 . . . . 239 GLU H . 18103 1 1142 . 1 1 244 244 GLU C C 13 176.5484 0.15 . 1 . . . . 239 GLU C . 18103 1 1143 . 1 1 244 244 GLU CA C 13 55.8134 0.3 . 1 . . . . 239 GLU CA . 18103 1 1144 . 1 1 244 244 GLU CB C 13 29.1554 0.3 . 1 . . . . 239 GLU CB . 18103 1 1145 . 1 1 244 244 GLU N N 15 116.864 0.23 . 1 . . . . 239 GLU N . 18103 1 1146 . 1 1 245 245 MET H H 1 7.919 0.007 . 1 . . . . 240 MET H . 18103 1 1147 . 1 1 245 245 MET C C 13 174.0304 0.15 . 1 . . . . 240 MET C . 18103 1 1148 . 1 1 245 245 MET CA C 13 52.8304 0.3 . 1 . . . . 240 MET CA . 18103 1 1149 . 1 1 245 245 MET CB C 13 32.3744 0.3 . 1 . . . . 240 MET CB . 18103 1 1150 . 1 1 245 245 MET N N 15 122.114 0.23 . 1 . . . . 240 MET N . 18103 1 1151 . 1 1 246 246 ASN H H 1 8.671 0.007 . 1 . . . . 241 ASN H . 18103 1 1152 . 1 1 246 246 ASN C C 13 176.9874 0.15 . 1 . . . . 241 ASN C . 18103 1 1153 . 1 1 246 246 ASN CA C 13 54.1294 0.3 . 1 . . . . 241 ASN CA . 18103 1 1154 . 1 1 246 246 ASN CB C 13 39.6354 0.3 . 1 . . . . 241 ASN CB . 18103 1 1155 . 1 1 246 246 ASN N N 15 128.074 0.23 . 1 . . . . 241 ASN N . 18103 1 1156 . 1 1 247 247 ARG H H 1 9.162 0.007 . 1 . . . . 242 ARG H . 18103 1 1157 . 1 1 247 247 ARG C C 13 179.3544 0.15 . 1 . . . . 242 ARG C . 18103 1 1158 . 1 1 247 247 ARG CA C 13 60.9284 0.3 . 1 . . . . 242 ARG CA . 18103 1 1159 . 1 1 247 247 ARG CB C 13 29.2194 0.3 . 1 . . . . 242 ARG CB . 18103 1 1160 . 1 1 247 247 ARG N N 15 126.082 0.23 . 1 . . . . 242 ARG N . 18103 1 1161 . 1 1 248 248 MET H H 1 8.1 0.007 . 1 . . . . 243 MET H . 18103 1 1162 . 1 1 248 248 MET C C 13 176.1974 0.15 . 1 . . . . 243 MET C . 18103 1 1163 . 1 1 248 248 MET CA C 13 56.9314 0.3 . 1 . . . . 243 MET CA . 18103 1 1164 . 1 1 248 248 MET CB C 13 31.5844 0.3 . 1 . . . . 243 MET CB . 18103 1 1165 . 1 1 248 248 MET N N 15 122.349 0.23 . 1 . . . . 243 MET N . 18103 1 1166 . 1 1 249 249 HIS H H 1 8.358 0.007 . 1 . . . . 244 HIS H . 18103 1 1167 . 1 1 249 249 HIS C C 13 178.6104 0.15 . 1 . . . . 244 HIS C . 18103 1 1168 . 1 1 249 249 HIS CA C 13 58.5294 0.3 . 1 . . . . 244 HIS CA . 18103 1 1169 . 1 1 249 249 HIS CB C 13 29.5574 0.3 . 1 . . . . 244 HIS CB . 18103 1 1170 . 1 1 249 249 HIS N N 15 122.319 0.23 . 1 . . . . 244 HIS N . 18103 1 1171 . 1 1 250 250 GLU H H 1 7.937 0.007 . 1 . . . . 245 GLU H . 18103 1 1172 . 1 1 250 250 GLU C C 13 178.6884 0.15 . 1 . . . . 245 GLU C . 18103 1 1173 . 1 1 250 250 GLU CA C 13 59.1684 0.3 . 1 . . . . 245 GLU CA . 18103 1 1174 . 1 1 250 250 GLU CB C 13 28.0694 0.3 . 1 . . . . 245 GLU CB . 18103 1 1175 . 1 1 250 250 GLU N N 15 122.34 0.23 . 1 . . . . 245 GLU N . 18103 1 1176 . 1 1 251 251 SER H H 1 7.902 0.007 . 1 . . . . 246 SER H . 18103 1 1177 . 1 1 251 251 SER CA C 13 63.1584 0.3 . 1 . . . . 246 SER CA . 18103 1 1178 . 1 1 251 251 SER N N 15 116.385 0.23 . 1 . . . . 246 SER N . 18103 1 1179 . 1 1 252 252 MET C C 13 177.0424 0.15 . 1 . . . . 247 MET C . 18103 1 1180 . 1 1 252 252 MET CA C 13 59.5264 0.3 . 1 . . . . 247 MET CA . 18103 1 1181 . 1 1 252 252 MET CB C 13 32.8734 0.3 . 1 . . . . 247 MET CB . 18103 1 1182 . 1 1 253 253 LYS H H 1 7.724 0.007 . 1 . . . . 248 LYS H . 18103 1 1183 . 1 1 253 253 LYS C C 13 180.2174 0.15 . 1 . . . . 248 LYS C . 18103 1 1184 . 1 1 253 253 LYS CA C 13 58.9114 0.3 . 1 . . . . 248 LYS CA . 18103 1 1185 . 1 1 253 253 LYS N N 15 120.283 0.23 . 1 . . . . 248 LYS N . 18103 1 1186 . 1 1 254 254 LEU H H 1 8.376 0.007 . 1 . . . . 249 LEU H . 18103 1 1187 . 1 1 254 254 LEU C C 13 178.5044 0.15 . 1 . . . . 249 LEU C . 18103 1 1188 . 1 1 254 254 LEU CA C 13 56.9464 0.3 . 1 . . . . 249 LEU CA . 18103 1 1189 . 1 1 254 254 LEU CB C 13 43.8604 0.3 . 1 . . . . 249 LEU CB . 18103 1 1190 . 1 1 254 254 LEU N N 15 121.734 0.23 . 1 . . . . 249 LEU N . 18103 1 1191 . 1 1 256 256 ASP C C 13 177.804 0.15 . 1 . . . . 251 ASP C . 18103 1 1192 . 1 1 256 256 ASP CA C 13 56.75 0.3 . 1 . . . . 251 ASP CA . 18103 1 1193 . 1 1 256 256 ASP CB C 13 41.254 0.3 . 1 . . . . 251 ASP CB . 18103 1 1194 . 1 1 257 257 SER H H 1 7.443 0.007 . 1 . . . . 252 SER H . 18103 1 1195 . 1 1 257 257 SER C C 13 174.7004 0.15 . 1 . . . . 252 SER C . 18103 1 1196 . 1 1 257 257 SER CA C 13 60.7904 0.3 . 1 . . . . 252 SER CA . 18103 1 1197 . 1 1 257 257 SER CB C 13 63.2964 0.3 . 1 . . . . 252 SER CB . 18103 1 1198 . 1 1 257 257 SER N N 15 112.034 0.23 . 1 . . . . 252 SER N . 18103 1 1199 . 1 1 258 258 ILE H H 1 7.817 0.007 . 1 . . . . 253 ILE H . 18103 1 1200 . 1 1 258 258 ILE C C 13 176.7004 0.15 . 1 . . . . 253 ILE C . 18103 1 1201 . 1 1 258 258 ILE CA C 13 60.8494 0.3 . 1 . . . . 253 ILE CA . 18103 1 1202 . 1 1 258 258 ILE CB C 13 35.9834 0.3 . 1 . . . . 253 ILE CB . 18103 1 1203 . 1 1 258 258 ILE N N 15 121.18 0.23 . 1 . . . . 253 ILE N . 18103 1 1204 . 1 1 259 259 CYS H H 1 8.813 0.007 . 1 . . . . 254 CYS H . 18103 1 1205 . 1 1 259 259 CYS C C 13 175.2364 0.15 . 1 . . . . 254 CYS C . 18103 1 1206 . 1 1 259 259 CYS CA C 13 61.5064 0.3 . 1 . . . . 254 CYS CA . 18103 1 1207 . 1 1 259 259 CYS CB C 13 25.3064 0.3 . 1 . . . . 254 CYS CB . 18103 1 1208 . 1 1 259 259 CYS N N 15 118.063 0.23 . 1 . . . . 254 CYS N . 18103 1 1209 . 1 1 260 260 ASN H H 1 6.836 0.007 . 1 . . . . 255 ASN H . 18103 1 1210 . 1 1 260 260 ASN C C 13 173.9224 0.15 . 1 . . . . 255 ASN C . 18103 1 1211 . 1 1 260 260 ASN CA C 13 52.7324 0.3 . 1 . . . . 255 ASN CA . 18103 1 1212 . 1 1 260 260 ASN CB C 13 38.5924 0.3 . 1 . . . . 255 ASN CB . 18103 1 1213 . 1 1 260 260 ASN N N 15 111.166 0.23 . 1 . . . . 255 ASN N . 18103 1 1214 . 1 1 261 261 ASN H H 1 7.231 0.007 . 1 . . . . 256 ASN H . 18103 1 1215 . 1 1 261 261 ASN C C 13 177.8044 0.15 . 1 . . . . 256 ASN C . 18103 1 1216 . 1 1 261 261 ASN CA C 13 53.7044 0.3 . 1 . . . . 256 ASN CA . 18103 1 1217 . 1 1 261 261 ASN N N 15 121.737 0.23 . 1 . . . . 256 ASN N . 18103 1 1218 . 1 1 262 262 LYS H H 1 8.877 0.007 . 1 . . . . 257 LYS H . 18103 1 1219 . 1 1 262 262 LYS C C 13 177.8624 0.15 . 1 . . . . 257 LYS C . 18103 1 1220 . 1 1 262 262 LYS CA C 13 58.8844 0.3 . 1 . . . . 257 LYS CA . 18103 1 1221 . 1 1 262 262 LYS CB C 13 30.6914 0.3 . 1 . . . . 257 LYS CB . 18103 1 1222 . 1 1 262 262 LYS N N 15 129.795 0.23 . 1 . . . . 257 LYS N . 18103 1 1223 . 1 1 263 263 TRP H H 1 8.631 0.007 . 1 . . . . 258 TRP H . 18103 1 1224 . 1 1 263 263 TRP C C 13 178.1784 0.15 . 1 . . . . 258 TRP C . 18103 1 1225 . 1 1 263 263 TRP CA C 13 59.4644 0.3 . 1 . . . . 258 TRP CA . 18103 1 1226 . 1 1 263 263 TRP CB C 13 27.6294 0.3 . 1 . . . . 258 TRP CB . 18103 1 1227 . 1 1 263 263 TRP N N 15 120.787 0.23 . 1 . . . . 258 TRP N . 18103 1 1228 . 1 1 264 264 PHE H H 1 7.421 0.007 . 1 . . . . 259 PHE H . 18103 1 1229 . 1 1 264 264 PHE C C 13 176.7874 0.15 . 1 . . . . 259 PHE C . 18103 1 1230 . 1 1 264 264 PHE CA C 13 54.5244 0.3 . 1 . . . . 259 PHE CA . 18103 1 1231 . 1 1 264 264 PHE CB C 13 37.8834 0.3 . 1 . . . . 259 PHE CB . 18103 1 1232 . 1 1 264 264 PHE N N 15 117.013 0.23 . 1 . . . . 259 PHE N . 18103 1 1233 . 1 1 265 265 THR H H 1 7.292 0.007 . 1 . . . . 260 THR H . 18103 1 1234 . 1 1 265 265 THR C C 13 176.7374 0.15 . 1 . . . . 260 THR C . 18103 1 1235 . 1 1 265 265 THR CA C 13 66.4334 0.3 . 1 . . . . 260 THR CA . 18103 1 1236 . 1 1 265 265 THR CB C 13 68.1314 0.3 . 1 . . . . 260 THR CB . 18103 1 1237 . 1 1 265 265 THR N N 15 115.948 0.23 . 1 . . . . 260 THR N . 18103 1 1238 . 1 1 266 266 GLU H H 1 8.735 0.007 . 1 . . . . 261 GLU H . 18103 1 1239 . 1 1 266 266 GLU C C 13 175.8284 0.15 . 1 . . . . 261 GLU C . 18103 1 1240 . 1 1 266 266 GLU CA C 13 55.4824 0.3 . 1 . . . . 261 GLU CA . 18103 1 1241 . 1 1 266 266 GLU CB C 13 28.5534 0.3 . 1 . . . . 261 GLU CB . 18103 1 1242 . 1 1 266 266 GLU N N 15 120.948 0.23 . 1 . . . . 261 GLU N . 18103 1 1243 . 1 1 267 267 THR H H 1 7.16 0.007 . 1 . . . . 262 THR H . 18103 1 1244 . 1 1 267 267 THR C C 13 174.5744 0.15 . 1 . . . . 262 THR C . 18103 1 1245 . 1 1 267 267 THR CA C 13 62.7114 0.3 . 1 . . . . 262 THR CA . 18103 1 1246 . 1 1 267 267 THR CB C 13 70.6034 0.3 . 1 . . . . 262 THR CB . 18103 1 1247 . 1 1 267 267 THR N N 15 120.351 0.23 . 1 . . . . 262 THR N . 18103 1 1248 . 1 1 268 268 SER H H 1 8.159 0.007 . 1 . . . . 263 SER H . 18103 1 1249 . 1 1 268 268 SER C C 13 172.3524 0.15 . 1 . . . . 263 SER C . 18103 1 1250 . 1 1 268 268 SER CA C 13 60.3084 0.3 . 1 . . . . 263 SER CA . 18103 1 1251 . 1 1 268 268 SER CB C 13 62.9844 0.3 . 1 . . . . 263 SER CB . 18103 1 1252 . 1 1 268 268 SER N N 15 124.596 0.23 . 1 . . . . 263 SER N . 18103 1 1253 . 1 1 269 269 ILE H H 1 9.39 0.007 . 1 . . . . 264 ILE H . 18103 1 1254 . 1 1 269 269 ILE C C 13 172.7324 0.15 . 1 . . . . 264 ILE C . 18103 1 1255 . 1 1 269 269 ILE CA C 13 60.6164 0.3 . 1 . . . . 264 ILE CA . 18103 1 1256 . 1 1 269 269 ILE CB C 13 36.8574 0.3 . 1 . . . . 264 ILE CB . 18103 1 1257 . 1 1 269 269 ILE N N 15 127.917 0.23 . 1 . . . . 264 ILE N . 18103 1 1258 . 1 1 270 270 ILE H H 1 8.854 0.007 . 1 . . . . 265 ILE H . 18103 1 1259 . 1 1 270 270 ILE C C 13 173.5184 0.15 . 1 . . . . 265 ILE C . 18103 1 1260 . 1 1 270 270 ILE CA C 13 58.6304 0.3 . 1 . . . . 265 ILE CA . 18103 1 1261 . 1 1 270 270 ILE CB C 13 38.6864 0.3 . 1 . . . . 265 ILE CB . 18103 1 1262 . 1 1 270 270 ILE N N 15 130.193 0.23 . 1 . . . . 265 ILE N . 18103 1 1263 . 1 1 271 271 LEU H H 1 9.118 0.007 . 1 . . . . 266 LEU H . 18103 1 1264 . 1 1 271 271 LEU C C 13 174.8574 0.15 . 1 . . . . 266 LEU C . 18103 1 1265 . 1 1 271 271 LEU CA C 13 52.7764 0.3 . 1 . . . . 266 LEU CA . 18103 1 1266 . 1 1 271 271 LEU N N 15 131.616 0.23 . 1 . . . . 266 LEU N . 18103 1 1267 . 1 1 272 272 PHE H H 1 9.182 0.007 . 1 . . . . 267 PHE H . 18103 1 1268 . 1 1 272 272 PHE C C 13 174.6494 0.15 . 1 . . . . 267 PHE C . 18103 1 1269 . 1 1 272 272 PHE CA C 13 52.3134 0.3 . 1 . . . . 267 PHE CA . 18103 1 1270 . 1 1 272 272 PHE N N 15 127.357 0.23 . 1 . . . . 267 PHE N . 18103 1 1271 . 1 1 273 273 LEU H H 1 8.792 0.007 . 1 . . . . 268 LEU H . 18103 1 1272 . 1 1 273 273 LEU C C 13 173.3794 0.15 . 1 . . . . 268 LEU C . 18103 1 1273 . 1 1 273 273 LEU CA C 13 53.4964 0.3 . 1 . . . . 268 LEU CA . 18103 1 1274 . 1 1 273 273 LEU N N 15 127.892 0.23 . 1 . . . . 268 LEU N . 18103 1 1275 . 1 1 274 274 ASN H H 1 8.931 0.007 . 1 . . . . 269 ASN H . 18103 1 1276 . 1 1 274 274 ASN CA C 13 52.0054 0.3 . 1 . . . . 269 ASN CA . 18103 1 1277 . 1 1 274 274 ASN CB C 13 41.2244 0.3 . 1 . . . . 269 ASN CB . 18103 1 1278 . 1 1 274 274 ASN N N 15 122.848 0.23 . 1 . . . . 269 ASN N . 18103 1 1279 . 1 1 275 275 LYS H H 1 7.743 0.007 . 1 . . . . 270 LYS H . 18103 1 1280 . 1 1 275 275 LYS C C 13 178.7494 0.15 . 1 . . . . 270 LYS C . 18103 1 1281 . 1 1 275 275 LYS CA C 13 57.1764 0.3 . 1 . . . . 270 LYS CA . 18103 1 1282 . 1 1 275 275 LYS CB C 13 28.7344 0.3 . 1 . . . . 270 LYS CB . 18103 1 1283 . 1 1 275 275 LYS N N 15 115.692 0.23 . 1 . . . . 270 LYS N . 18103 1 1284 . 1 1 276 276 LYS H H 1 8.523 0.007 . 1 . . . . 271 LYS H . 18103 1 1285 . 1 1 276 276 LYS C C 13 176.7624 0.15 . 1 . . . . 271 LYS C . 18103 1 1286 . 1 1 276 276 LYS CA C 13 59.2844 0.3 . 1 . . . . 271 LYS CA . 18103 1 1287 . 1 1 276 276 LYS CB C 13 29.9734 0.3 . 1 . . . . 271 LYS CB . 18103 1 1288 . 1 1 276 276 LYS N N 15 117.781 0.23 . 1 . . . . 271 LYS N . 18103 1 1289 . 1 1 277 277 ASP H H 1 9.485 0.007 . 1 . . . . 272 ASP H . 18103 1 1290 . 1 1 277 277 ASP C C 13 178.4474 0.15 . 1 . . . . 272 ASP C . 18103 1 1291 . 1 1 277 277 ASP CA C 13 55.4614 0.3 . 1 . . . . 272 ASP CA . 18103 1 1292 . 1 1 277 277 ASP CB C 13 38.7004 0.3 . 1 . . . . 272 ASP CB . 18103 1 1293 . 1 1 277 277 ASP N N 15 120.079 0.23 . 1 . . . . 272 ASP N . 18103 1 1294 . 1 1 278 278 LEU H H 1 7.16 0.007 . 1 . . . . 273 LEU H . 18103 1 1295 . 1 1 278 278 LEU C C 13 180.7294 0.15 . 1 . . . . 273 LEU C . 18103 1 1296 . 1 1 278 278 LEU CA C 13 56.3224 0.3 . 1 . . . . 273 LEU CA . 18103 1 1297 . 1 1 278 278 LEU CB C 13 40.4094 0.3 . 1 . . . . 273 LEU CB . 18103 1 1298 . 1 1 278 278 LEU N N 15 121.609 0.23 . 1 . . . . 273 LEU N . 18103 1 1299 . 1 1 279 279 PHE H H 1 8.7 0.007 . 1 . . . . 274 PHE H . 18103 1 1300 . 1 1 279 279 PHE C C 13 174.8664 0.15 . 1 . . . . 274 PHE C . 18103 1 1301 . 1 1 279 279 PHE CA C 13 61.9104 0.3 . 1 . . . . 274 PHE CA . 18103 1 1302 . 1 1 279 279 PHE CB C 13 40.5394 0.3 . 1 . . . . 274 PHE CB . 18103 1 1303 . 1 1 279 279 PHE N N 15 121.663 0.23 . 1 . . . . 274 PHE N . 18103 1 1304 . 1 1 280 280 GLU H H 1 8.111 0.007 . 1 . . . . 275 GLU H . 18103 1 1305 . 1 1 280 280 GLU C C 13 176.8524 0.15 . 1 . . . . 275 GLU C . 18103 1 1306 . 1 1 280 280 GLU CA C 13 59.4304 0.3 . 1 . . . . 275 GLU CA . 18103 1 1307 . 1 1 280 280 GLU CB C 13 28.3384 0.3 . 1 . . . . 275 GLU CB . 18103 1 1308 . 1 1 280 280 GLU N N 15 118.056 0.23 . 1 . . . . 275 GLU N . 18103 1 1309 . 1 1 281 281 GLU H H 1 6.675 0.007 . 1 . . . . 276 GLU H . 18103 1 1310 . 1 1 281 281 GLU C C 13 178.3654 0.15 . 1 . . . . 276 GLU C . 18103 1 1311 . 1 1 281 281 GLU CA C 13 57.6774 0.3 . 1 . . . . 276 GLU CA . 18103 1 1312 . 1 1 281 281 GLU CB C 13 29.2614 0.3 . 1 . . . . 276 GLU CB . 18103 1 1313 . 1 1 281 281 GLU N N 15 115.094 0.23 . 1 . . . . 276 GLU N . 18103 1 1314 . 1 1 282 282 LYS H H 1 7.954 0.007 . 1 . . . . 277 LYS H . 18103 1 1315 . 1 1 282 282 LYS C C 13 179.0784 0.15 . 1 . . . . 277 LYS C . 18103 1 1316 . 1 1 282 282 LYS CA C 13 59.2844 0.3 . 1 . . . . 277 LYS CA . 18103 1 1317 . 1 1 282 282 LYS CB C 13 31.9404 0.3 . 1 . . . . 277 LYS CB . 18103 1 1318 . 1 1 282 282 LYS N N 15 120.052 0.23 . 1 . . . . 277 LYS N . 18103 1 1319 . 1 1 283 283 ILE C C 13 174.3994 0.15 . 1 . . . . 278 ILE C . 18103 1 1320 . 1 1 283 283 ILE CA C 13 58.8834 0.3 . 1 . . . . 278 ILE CA . 18103 1 1321 . 1 1 284 284 LYS H H 1 6.486 0.007 . 1 . . . . 279 LYS H . 18103 1 1322 . 1 1 284 284 LYS C C 13 177.7074 0.15 . 1 . . . . 279 LYS C . 18103 1 1323 . 1 1 284 284 LYS CA C 13 57.2074 0.3 . 1 . . . . 279 LYS CA . 18103 1 1324 . 1 1 284 284 LYS CB C 13 31.9254 0.3 . 1 . . . . 279 LYS CB . 18103 1 1325 . 1 1 284 284 LYS N N 15 116.192 0.23 . 1 . . . . 279 LYS N . 18103 1 1326 . 1 1 285 285 ARG H H 1 7.812 0.007 . 1 . . . . 280 ARG H . 18103 1 1327 . 1 1 285 285 ARG C C 13 175.5264 0.15 . 1 . . . . 280 ARG C . 18103 1 1328 . 1 1 285 285 ARG CA C 13 55.5454 0.3 . 1 . . . . 280 ARG CA . 18103 1 1329 . 1 1 285 285 ARG N N 15 115.604 0.23 . 1 . . . . 280 ARG N . 18103 1 1330 . 1 1 286 286 SER H H 1 7.916 0.007 . 1 . . . . 281 SER H . 18103 1 1331 . 1 1 286 286 SER CA C 13 53.3744 0.3 . 1 . . . . 281 SER CA . 18103 1 1332 . 1 1 286 286 SER CB C 13 62.4914 0.3 . 1 . . . . 281 SER CB . 18103 1 1333 . 1 1 286 286 SER N N 15 118.817 0.23 . 1 . . . . 281 SER N . 18103 1 1334 . 1 1 287 287 PRO C C 13 178.018 0.15 . 1 . . . . 282 PRO C . 18103 1 1335 . 1 1 287 287 PRO CA C 13 63.233 0.3 . 1 . . . . 282 PRO CA . 18103 1 1336 . 1 1 287 287 PRO CB C 13 32.133 0.3 . 1 . . . . 282 PRO CB . 18103 1 1337 . 1 1 288 288 LEU H H 1 8.241 0.007 . 1 . . . . 283 LEU H . 18103 1 1338 . 1 1 288 288 LEU C C 13 178.8664 0.15 . 1 . . . . 283 LEU C . 18103 1 1339 . 1 1 288 288 LEU CA C 13 56.0784 0.3 . 1 . . . . 283 LEU CA . 18103 1 1340 . 1 1 288 288 LEU CB C 13 41.3014 0.3 . 1 . . . . 283 LEU CB . 18103 1 1341 . 1 1 288 288 LEU N N 15 124.128 0.23 . 1 . . . . 283 LEU N . 18103 1 1342 . 1 1 289 289 THR H H 1 7.679 0.007 . 1 . . . . 284 THR H . 18103 1 1343 . 1 1 289 289 THR C C 13 175.8484 0.15 . 1 . . . . 284 THR C . 18103 1 1344 . 1 1 289 289 THR CA C 13 62.0094 0.3 . 1 . . . . 284 THR CA . 18103 1 1345 . 1 1 289 289 THR CB C 13 68.6144 0.3 . 1 . . . . 284 THR CB . 18103 1 1346 . 1 1 289 289 THR N N 15 109.484 0.23 . 1 . . . . 284 THR N . 18103 1 1347 . 1 1 290 290 ILE H H 1 7.319 0.007 . 1 . . . . 285 ILE H . 18103 1 1348 . 1 1 290 290 ILE C C 13 175.0634 0.15 . 1 . . . . 285 ILE C . 18103 1 1349 . 1 1 290 290 ILE CA C 13 64.2274 0.3 . 1 . . . . 285 ILE CA . 18103 1 1350 . 1 1 290 290 ILE CB C 13 38.3724 0.3 . 1 . . . . 285 ILE CB . 18103 1 1351 . 1 1 290 290 ILE N N 15 122.339 0.23 . 1 . . . . 285 ILE N . 18103 1 1352 . 1 1 291 291 CYS H H 1 7.504 0.007 . 1 . . . . 286 CYS H . 18103 1 1353 . 1 1 291 291 CYS CA C 13 60.0214 0.3 . 1 . . . . 286 CYS CA . 18103 1 1354 . 1 1 291 291 CYS CB C 13 28.8794 0.3 . 1 . . . . 286 CYS CB . 18103 1 1355 . 1 1 291 291 CYS N N 15 119.076 0.23 . 1 . . . . 286 CYS N . 18103 1 1356 . 1 1 293 293 PRO C C 13 177.3474 0.15 . 1 . . . . 288 PRO C . 18103 1 1357 . 1 1 293 293 PRO CA C 13 63.5904 0.3 . 1 . . . . 288 PRO CA . 18103 1 1358 . 1 1 293 293 PRO CB C 13 31.0874 0.3 . 1 . . . . 288 PRO CB . 18103 1 1359 . 1 1 294 294 GLU H H 1 9.138 0.007 . 1 . . . . 289 GLU H . 18103 1 1360 . 1 1 294 294 GLU C C 13 176.2874 0.15 . 1 . . . . 289 GLU C . 18103 1 1361 . 1 1 294 294 GLU CA C 13 55.7234 0.3 . 1 . . . . 289 GLU CA . 18103 1 1362 . 1 1 294 294 GLU CB C 13 27.7954 0.3 . 1 . . . . 289 GLU CB . 18103 1 1363 . 1 1 294 294 GLU N N 15 116.901 0.23 . 1 . . . . 289 GLU N . 18103 1 1364 . 1 1 295 295 TYR H H 1 7.906 0.007 . 1 . . . . 290 TYR H . 18103 1 1365 . 1 1 295 295 TYR C C 13 177.1194 0.15 . 1 . . . . 290 TYR C . 18103 1 1366 . 1 1 295 295 TYR CA C 13 58.3624 0.3 . 1 . . . . 290 TYR CA . 18103 1 1367 . 1 1 295 295 TYR CB C 13 38.1924 0.3 . 1 . . . . 290 TYR CB . 18103 1 1368 . 1 1 295 295 TYR N N 15 123.642 0.23 . 1 . . . . 290 TYR N . 18103 1 1369 . 1 1 296 296 THR H H 1 8.237 0.007 . 1 . . . . 291 THR H . 18103 1 1370 . 1 1 296 296 THR C C 13 174.7544 0.15 . 1 . . . . 291 THR C . 18103 1 1371 . 1 1 296 296 THR CA C 13 60.2804 0.3 . 1 . . . . 291 THR CA . 18103 1 1372 . 1 1 296 296 THR CB C 13 69.1204 0.3 . 1 . . . . 291 THR CB . 18103 1 1373 . 1 1 296 296 THR N N 15 120.525 0.23 . 1 . . . . 291 THR N . 18103 1 1374 . 1 1 297 297 GLY C C 13 172.1604 0.15 . 1 . . . . 292 GLY C . 18103 1 1375 . 1 1 297 297 GLY CA C 13 42.2264 0.3 . 1 . . . . 292 GLY CA . 18103 1 1376 . 1 1 298 298 SER H H 1 8.069 0.007 . 1 . . . . 293 SER H . 18103 1 1377 . 1 1 298 298 SER C C 13 176.2954 0.15 . 1 . . . . 293 SER C . 18103 1 1378 . 1 1 298 298 SER CA C 13 57.4614 0.3 . 1 . . . . 293 SER CA . 18103 1 1379 . 1 1 298 298 SER CB C 13 64.1534 0.3 . 1 . . . . 293 SER CB . 18103 1 1380 . 1 1 298 298 SER N N 15 113.8 0.23 . 1 . . . . 293 SER N . 18103 1 1381 . 1 1 299 299 ASN H H 1 9.219 0.007 . 1 . . . . 294 ASN H . 18103 1 1382 . 1 1 299 299 ASN C C 13 174.1184 0.15 . 1 . . . . 294 ASN C . 18103 1 1383 . 1 1 299 299 ASN CA C 13 52.6674 0.3 . 1 . . . . 294 ASN CA . 18103 1 1384 . 1 1 299 299 ASN CB C 13 36.8274 0.3 . 1 . . . . 294 ASN CB . 18103 1 1385 . 1 1 299 299 ASN N N 15 127.788 0.23 . 1 . . . . 294 ASN N . 18103 1 1386 . 1 1 300 300 THR H H 1 7.413 0.007 . 1 . . . . 295 THR H . 18103 1 1387 . 1 1 300 300 THR C C 13 173.9834 0.15 . 1 . . . . 295 THR C . 18103 1 1388 . 1 1 300 300 THR CA C 13 58.3574 0.3 . 1 . . . . 295 THR CA . 18103 1 1389 . 1 1 300 300 THR CB C 13 71.3714 0.3 . 1 . . . . 295 THR CB . 18103 1 1390 . 1 1 300 300 THR N N 15 109.692 0.23 . 1 . . . . 295 THR N . 18103 1 1391 . 1 1 301 301 TYR H H 1 8.946 0.007 . 1 . . . . 296 TYR H . 18103 1 1392 . 1 1 301 301 TYR C C 13 176.0714 0.15 . 1 . . . . 296 TYR C . 18103 1 1393 . 1 1 301 301 TYR CA C 13 62.2184 0.3 . 1 . . . . 296 TYR CA . 18103 1 1394 . 1 1 301 301 TYR CB C 13 38.0644 0.3 . 1 . . . . 296 TYR CB . 18103 1 1395 . 1 1 301 301 TYR N N 15 123.329 0.23 . 1 . . . . 296 TYR N . 18103 1 1396 . 1 1 302 302 GLU H H 1 9.083 0.007 . 1 . . . . 297 GLU H . 18103 1 1397 . 1 1 302 302 GLU C C 13 179.6144 0.15 . 1 . . . . 297 GLU C . 18103 1 1398 . 1 1 302 302 GLU CA C 13 60.2144 0.3 . 1 . . . . 297 GLU CA . 18103 1 1399 . 1 1 302 302 GLU CB C 13 28.0584 0.3 . 1 . . . . 297 GLU CB . 18103 1 1400 . 1 1 302 302 GLU N N 15 116.26 0.23 . 1 . . . . 297 GLU N . 18103 1 1401 . 1 1 303 303 GLU H H 1 7.301 0.007 . 1 . . . . 298 GLU H . 18103 1 1402 . 1 1 303 303 GLU C C 13 178.9514 0.15 . 1 . . . . 298 GLU C . 18103 1 1403 . 1 1 303 303 GLU CA C 13 59.2544 0.3 . 1 . . . . 298 GLU CA . 18103 1 1404 . 1 1 303 303 GLU CB C 13 29.0044 0.3 . 1 . . . . 298 GLU CB . 18103 1 1405 . 1 1 303 303 GLU N N 15 118.702 0.23 . 1 . . . . 298 GLU N . 18103 1 1406 . 1 1 304 304 ALA H H 1 8.214 0.007 . 1 . . . . 299 ALA H . 18103 1 1407 . 1 1 304 304 ALA C C 13 179.1624 0.15 . 1 . . . . 299 ALA C . 18103 1 1408 . 1 1 304 304 ALA CA C 13 54.7064 0.3 . 1 . . . . 299 ALA CA . 18103 1 1409 . 1 1 304 304 ALA CB C 13 19.0184 0.3 . 1 . . . . 299 ALA CB . 18103 1 1410 . 1 1 304 304 ALA N N 15 123.464 0.23 . 1 . . . . 299 ALA N . 18103 1 1411 . 1 1 305 305 ALA H H 1 8.684 0.007 . 1 . . . . 300 ALA H . 18103 1 1412 . 1 1 305 305 ALA C C 13 179.3614 0.15 . 1 . . . . 300 ALA C . 18103 1 1413 . 1 1 305 305 ALA CA C 13 55.2744 0.3 . 1 . . . . 300 ALA CA . 18103 1 1414 . 1 1 305 305 ALA CB C 13 16.1664 0.3 . 1 . . . . 300 ALA CB . 18103 1 1415 . 1 1 305 305 ALA N N 15 120.518 0.23 . 1 . . . . 300 ALA N . 18103 1 1416 . 1 1 306 306 ALA H H 1 7.023 0.007 . 1 . . . . 301 ALA H . 18103 1 1417 . 1 1 306 306 ALA C C 13 180.1224 0.15 . 1 . . . . 301 ALA C . 18103 1 1418 . 1 1 306 306 ALA CA C 13 54.1844 0.3 . 1 . . . . 301 ALA CA . 18103 1 1419 . 1 1 306 306 ALA CB C 13 17.3304 0.3 . 1 . . . . 301 ALA CB . 18103 1 1420 . 1 1 306 306 ALA N N 15 118.244 0.23 . 1 . . . . 301 ALA N . 18103 1 1421 . 1 1 307 307 TYR H H 1 7.765 0.007 . 1 . . . . 302 TYR H . 18103 1 1422 . 1 1 307 307 TYR CA C 13 62.1514 0.3 . 1 . . . . 302 TYR CA . 18103 1 1423 . 1 1 307 307 TYR CB C 13 38.1914 0.3 . 1 . . . . 302 TYR CB . 18103 1 1424 . 1 1 307 307 TYR N N 15 121.57 0.23 . 1 . . . . 302 TYR N . 18103 1 1425 . 1 1 309 309 GLN C C 13 177.7714 0.15 . 1 . . . . 304 GLN C . 18103 1 1426 . 1 1 309 309 GLN CA C 13 60.1084 0.3 . 1 . . . . 304 GLN CA . 18103 1 1427 . 1 1 309 309 GLN CB C 13 25.8844 0.3 . 1 . . . . 304 GLN CB . 18103 1 1428 . 1 1 310 310 CYS H H 1 7.842 0.007 . 1 . . . . 305 CYS H . 18103 1 1429 . 1 1 310 310 CYS C C 13 176.2004 0.15 . 1 . . . . 305 CYS C . 18103 1 1430 . 1 1 310 310 CYS CA C 13 62.5224 0.3 . 1 . . . . 305 CYS CA . 18103 1 1431 . 1 1 310 310 CYS CB C 13 25.7334 0.3 . 1 . . . . 305 CYS CB . 18103 1 1432 . 1 1 310 310 CYS N N 15 117.914 0.23 . 1 . . . . 305 CYS N . 18103 1 1433 . 1 1 311 311 GLN H H 1 7.744 0.007 . 1 . . . . 306 GLN H . 18103 1 1434 . 1 1 311 311 GLN CA C 13 57.3484 0.3 . 1 . . . . 306 GLN CA . 18103 1 1435 . 1 1 311 311 GLN CB C 13 28.56 0.3 . 1 . . . . 306 GLN CB . 18103 1 1436 . 1 1 311 311 GLN N N 15 118.106 0.23 . 1 . . . . 306 GLN N . 18103 1 1437 . 1 1 312 312 PHE H H 1 7.57 0.007 . 1 . . . . 307 PHE H . 18103 1 1438 . 1 1 312 312 PHE C C 13 178.4514 0.15 . 1 . . . . 307 PHE C . 18103 1 1439 . 1 1 312 312 PHE CA C 13 62.0024 0.3 . 1 . . . . 307 PHE CA . 18103 1 1440 . 1 1 312 312 PHE N N 15 115.802 0.23 . 1 . . . . 307 PHE N . 18103 1 1441 . 1 1 313 313 GLU H H 1 8.53 0.007 . 1 . . . . 308 GLU H . 18103 1 1442 . 1 1 313 313 GLU C C 13 180.2184 0.15 . 1 . . . . 308 GLU C . 18103 1 1443 . 1 1 313 313 GLU CA C 13 59.9424 0.3 . 1 . . . . 308 GLU CA . 18103 1 1444 . 1 1 313 313 GLU CB C 13 28.2064 0.3 . 1 . . . . 308 GLU CB . 18103 1 1445 . 1 1 313 313 GLU N N 15 118.848 0.23 . 1 . . . . 308 GLU N . 18103 1 1446 . 1 1 314 314 ASP H H 1 8.015 0.007 . 1 . . . . 309 ASP H . 18103 1 1447 . 1 1 314 314 ASP C C 13 177.2084 0.15 . 1 . . . . 309 ASP C . 18103 1 1448 . 1 1 314 314 ASP CA C 13 55.4504 0.3 . 1 . . . . 309 ASP CA . 18103 1 1449 . 1 1 314 314 ASP CB C 13 39.7164 0.3 . 1 . . . . 309 ASP CB . 18103 1 1450 . 1 1 314 314 ASP N N 15 117.79 0.23 . 1 . . . . 309 ASP N . 18103 1 1451 . 1 1 315 315 LEU H H 1 7.422 0.007 . 1 . . . . 310 LEU H . 18103 1 1452 . 1 1 315 315 LEU C C 13 176.8394 0.15 . 1 . . . . 310 LEU C . 18103 1 1453 . 1 1 315 315 LEU CA C 13 55.1844 0.3 . 1 . . . . 310 LEU CA . 18103 1 1454 . 1 1 315 315 LEU CB C 13 41.2264 0.3 . 1 . . . . 310 LEU CB . 18103 1 1455 . 1 1 315 315 LEU N N 15 118.846 0.23 . 1 . . . . 310 LEU N . 18103 1 1456 . 1 1 316 316 ASN H H 1 7.091 0.007 . 1 . . . . 311 ASN H . 18103 1 1457 . 1 1 316 316 ASN C C 13 175.2014 0.15 . 1 . . . . 311 ASN C . 18103 1 1458 . 1 1 316 316 ASN CA C 13 52.3914 0.3 . 1 . . . . 311 ASN CA . 18103 1 1459 . 1 1 316 316 ASN CB C 13 37.6894 0.3 . 1 . . . . 311 ASN CB . 18103 1 1460 . 1 1 316 316 ASN N N 15 116.737 0.23 . 1 . . . . 311 ASN N . 18103 1 1461 . 1 1 317 317 ARG H H 1 8.878 0.007 . 1 . . . . 312 ARG H . 18103 1 1462 . 1 1 317 317 ARG C C 13 176.6874 0.15 . 1 . . . . 312 ARG C . 18103 1 1463 . 1 1 317 317 ARG CA C 13 56.2574 0.3 . 1 . . . . 312 ARG CA . 18103 1 1464 . 1 1 317 317 ARG CB C 13 28.4614 0.3 . 1 . . . . 312 ARG CB . 18103 1 1465 . 1 1 317 317 ARG N N 15 128.779 0.23 . 1 . . . . 312 ARG N . 18103 1 1466 . 1 1 318 318 ARG H H 1 7.617 0.007 . 1 . . . . 313 ARG H . 18103 1 1467 . 1 1 318 318 ARG C C 13 176.2774 0.15 . 1 . . . . 313 ARG C . 18103 1 1468 . 1 1 318 318 ARG CA C 13 54.4924 0.3 . 1 . . . . 313 ARG CA . 18103 1 1469 . 1 1 318 318 ARG CB C 13 31.8214 0.3 . 1 . . . . 313 ARG CB . 18103 1 1470 . 1 1 318 318 ARG N N 15 121.31 0.23 . 1 . . . . 313 ARG N . 18103 1 1471 . 1 1 319 319 LYS H H 1 7.614 0.007 . 1 . . . . 314 LYS H . 18103 1 1472 . 1 1 319 319 LYS C C 13 177.1494 0.15 . 1 . . . . 314 LYS C . 18103 1 1473 . 1 1 319 319 LYS CA C 13 58.5694 0.3 . 1 . . . . 314 LYS CA . 18103 1 1474 . 1 1 319 319 LYS CB C 13 31.7394 0.3 . 1 . . . . 314 LYS CB . 18103 1 1475 . 1 1 319 319 LYS N N 15 121.248 0.23 . 1 . . . . 314 LYS N . 18103 1 1476 . 1 1 320 320 ASP H H 1 8.513 0.007 . 1 . . . . 315 ASP H . 18103 1 1477 . 1 1 320 320 ASP C C 13 176.8874 0.15 . 1 . . . . 315 ASP C . 18103 1 1478 . 1 1 320 320 ASP CA C 13 55.0834 0.3 . 1 . . . . 315 ASP CA . 18103 1 1479 . 1 1 320 320 ASP CB C 13 39.5774 0.3 . 1 . . . . 315 ASP CB . 18103 1 1480 . 1 1 320 320 ASP N N 15 116.011 0.23 . 1 . . . . 315 ASP N . 18103 1 1481 . 1 1 321 321 THR H H 1 7.446 0.007 . 1 . . . . 316 THR H . 18103 1 1482 . 1 1 321 321 THR C C 13 174.0064 0.15 . 1 . . . . 316 THR C . 18103 1 1483 . 1 1 321 321 THR CA C 13 61.4104 0.3 . 1 . . . . 316 THR CA . 18103 1 1484 . 1 1 321 321 THR CB C 13 69.7004 0.3 . 1 . . . . 316 THR CB . 18103 1 1485 . 1 1 321 321 THR N N 15 110.745 0.23 . 1 . . . . 316 THR N . 18103 1 1486 . 1 1 322 322 LYS H H 1 8.275 0.007 . 1 . . . . 317 LYS H . 18103 1 1487 . 1 1 322 322 LYS C C 13 174.5144 0.15 . 1 . . . . 317 LYS C . 18103 1 1488 . 1 1 322 322 LYS CA C 13 55.4284 0.3 . 1 . . . . 317 LYS CA . 18103 1 1489 . 1 1 322 322 LYS CB C 13 32.5724 0.3 . 1 . . . . 317 LYS CB . 18103 1 1490 . 1 1 322 322 LYS N N 15 126.202 0.23 . 1 . . . . 317 LYS N . 18103 1 1491 . 1 1 323 323 GLU H H 1 8.215 0.007 . 1 . . . . 318 GLU H . 18103 1 1492 . 1 1 323 323 GLU C C 13 174.5734 0.15 . 1 . . . . 318 GLU C . 18103 1 1493 . 1 1 323 323 GLU CA C 13 54.9874 0.3 . 1 . . . . 318 GLU CA . 18103 1 1494 . 1 1 323 323 GLU CB C 13 29.9844 0.3 . 1 . . . . 318 GLU CB . 18103 1 1495 . 1 1 323 323 GLU N N 15 126.27 0.23 . 1 . . . . 318 GLU N . 18103 1 1496 . 1 1 324 324 ILE H H 1 7.782 0.007 . 1 . . . . 319 ILE H . 18103 1 1497 . 1 1 324 324 ILE C C 13 175.4624 0.15 . 1 . . . . 319 ILE C . 18103 1 1498 . 1 1 324 324 ILE CA C 13 58.5794 0.3 . 1 . . . . 319 ILE CA . 18103 1 1499 . 1 1 324 324 ILE CB C 13 38.1844 0.3 . 1 . . . . 319 ILE CB . 18103 1 1500 . 1 1 324 324 ILE N N 15 120.176 0.23 . 1 . . . . 319 ILE N . 18103 1 1501 . 1 1 325 325 TYR H H 1 8.013 0.007 . 1 . . . . 320 TYR H . 18103 1 1502 . 1 1 325 325 TYR C C 13 174.7054 0.15 . 1 . . . . 320 TYR C . 18103 1 1503 . 1 1 325 325 TYR CA C 13 56.9244 0.3 . 1 . . . . 320 TYR CA . 18103 1 1504 . 1 1 325 325 TYR CB C 13 38.2634 0.3 . 1 . . . . 320 TYR CB . 18103 1 1505 . 1 1 325 325 TYR N N 15 127.939 0.23 . 1 . . . . 320 TYR N . 18103 1 1506 . 1 1 326 326 THR H H 1 7.971 0.007 . 1 . . . . 321 THR H . 18103 1 1507 . 1 1 326 326 THR C C 13 174.6504 0.15 . 1 . . . . 321 THR C . 18103 1 1508 . 1 1 326 326 THR CA C 13 62.3084 0.3 . 1 . . . . 321 THR CA . 18103 1 1509 . 1 1 326 326 THR CB C 13 68.4324 0.3 . 1 . . . . 321 THR CB . 18103 1 1510 . 1 1 326 326 THR N N 15 123.41 0.23 . 1 . . . . 321 THR N . 18103 1 1511 . 1 1 327 327 HIS H H 1 9.085 0.007 . 1 . . . . 322 HIS H . 18103 1 1512 . 1 1 327 327 HIS C C 13 173.3704 0.15 . 1 . . . . 322 HIS C . 18103 1 1513 . 1 1 327 327 HIS CA C 13 54.8354 0.3 . 1 . . . . 322 HIS CA . 18103 1 1514 . 1 1 327 327 HIS CB C 13 35.3144 0.3 . 1 . . . . 322 HIS CB . 18103 1 1515 . 1 1 327 327 HIS N N 15 125.804 0.23 . 1 . . . . 322 HIS N . 18103 1 1516 . 1 1 328 328 PHE H H 1 8.968 0.007 . 1 . . . . 323 PHE H . 18103 1 1517 . 1 1 328 328 PHE C C 13 176.6384 0.15 . 1 . . . . 323 PHE C . 18103 1 1518 . 1 1 328 328 PHE CA C 13 56.7364 0.3 . 1 . . . . 323 PHE CA . 18103 1 1519 . 1 1 328 328 PHE CB C 13 39.0114 0.3 . 1 . . . . 323 PHE CB . 18103 1 1520 . 1 1 328 328 PHE N N 15 124.35 0.23 . 1 . . . . 323 PHE N . 18103 1 1521 . 1 1 329 329 THR H H 1 9.074 0.007 . 1 . . . . 324 THR H . 18103 1 1522 . 1 1 329 329 THR C C 13 174.2264 0.15 . 1 . . . . 324 THR C . 18103 1 1523 . 1 1 329 329 THR CA C 13 60.2144 0.3 . 1 . . . . 324 THR CA . 18103 1 1524 . 1 1 329 329 THR CB C 13 72.3234 0.3 . 1 . . . . 324 THR CB . 18103 1 1525 . 1 1 329 329 THR N N 15 116.148 0.23 . 1 . . . . 324 THR N . 18103 1 1526 . 1 1 330 330 CYS H H 1 8.145 0.007 . 1 . . . . 325 CYS H . 18103 1 1527 . 1 1 330 330 CYS C C 13 175.2824 0.15 . 1 . . . . 325 CYS C . 18103 1 1528 . 1 1 330 330 CYS CA C 13 56.8264 0.3 . 1 . . . . 325 CYS CA . 18103 1 1529 . 1 1 330 330 CYS CB C 13 27.2144 0.3 . 1 . . . . 325 CYS CB . 18103 1 1530 . 1 1 330 330 CYS N N 15 122.944 0.23 . 1 . . . . 325 CYS N . 18103 1 1531 . 1 1 331 331 ALA H H 1 9.105 0.007 . 1 . . . . 326 ALA H . 18103 1 1532 . 1 1 331 331 ALA C C 13 176.9824 0.15 . 1 . . . . 326 ALA C . 18103 1 1533 . 1 1 331 331 ALA CA C 13 54.2924 0.3 . 1 . . . . 326 ALA CA . 18103 1 1534 . 1 1 331 331 ALA CB C 13 17.1754 0.3 . 1 . . . . 326 ALA CB . 18103 1 1535 . 1 1 331 331 ALA N N 15 130.193 0.23 . 1 . . . . 326 ALA N . 18103 1 1536 . 1 1 332 332 THR H H 1 6.877 0.007 . 1 . . . . 327 THR H . 18103 1 1537 . 1 1 332 332 THR C C 13 172.7274 0.15 . 1 . . . . 327 THR C . 18103 1 1538 . 1 1 332 332 THR CA C 13 61.6724 0.3 . 1 . . . . 327 THR CA . 18103 1 1539 . 1 1 332 332 THR CB C 13 65.8824 0.3 . 1 . . . . 327 THR CB . 18103 1 1540 . 1 1 332 332 THR N N 15 103.597 0.23 . 1 . . . . 327 THR N . 18103 1 1541 . 1 1 333 333 ASP H H 1 7.751 0.007 . 1 . . . . 328 ASP H . 18103 1 1542 . 1 1 333 333 ASP C C 13 174.8054 0.15 . 1 . . . . 328 ASP C . 18103 1 1543 . 1 1 333 333 ASP CA C 13 51.9534 0.3 . 1 . . . . 328 ASP CA . 18103 1 1544 . 1 1 333 333 ASP CB C 13 40.7424 0.3 . 1 . . . . 328 ASP CB . 18103 1 1545 . 1 1 333 333 ASP N N 15 125.165 0.23 . 1 . . . . 328 ASP N . 18103 1 1546 . 1 1 334 334 THR H H 1 8.498 0.007 . 1 . . . . 329 THR H . 18103 1 1547 . 1 1 334 334 THR C C 13 175.1064 0.15 . 1 . . . . 329 THR C . 18103 1 1548 . 1 1 334 334 THR CA C 13 66.8134 0.3 . 1 . . . . 329 THR CA . 18103 1 1549 . 1 1 334 334 THR CB C 13 68.9914 0.3 . 1 . . . . 329 THR CB . 18103 1 1550 . 1 1 334 334 THR N N 15 125.534 0.23 . 1 . . . . 329 THR N . 18103 1 1551 . 1 1 335 335 LYS H H 1 7.765 0.007 . 1 . . . . 330 LYS H . 18103 1 1552 . 1 1 335 335 LYS C C 13 179.4914 0.15 . 1 . . . . 330 LYS C . 18103 1 1553 . 1 1 335 335 LYS CA C 13 58.9354 0.3 . 1 . . . . 330 LYS CA . 18103 1 1554 . 1 1 335 335 LYS CB C 13 30.4014 0.3 . 1 . . . . 330 LYS CB . 18103 1 1555 . 1 1 335 335 LYS N N 15 119.637 0.23 . 1 . . . . 330 LYS N . 18103 1 1556 . 1 1 336 336 ASN H H 1 7.594 0.007 . 1 . . . . 331 ASN H . 18103 1 1557 . 1 1 336 336 ASN C C 13 176.8224 0.15 . 1 . . . . 331 ASN C . 18103 1 1558 . 1 1 336 336 ASN CA C 13 56.8424 0.3 . 1 . . . . 331 ASN CA . 18103 1 1559 . 1 1 336 336 ASN CB C 13 35.0824 0.3 . 1 . . . . 331 ASN CB . 18103 1 1560 . 1 1 336 336 ASN N N 15 120.47 0.23 . 1 . . . . 331 ASN N . 18103 1 1561 . 1 1 337 337 VAL H H 1 8.072 0.007 . 1 . . . . 332 VAL H . 18103 1 1562 . 1 1 337 337 VAL C C 13 176.9704 0.15 . 1 . . . . 332 VAL C . 18103 1 1563 . 1 1 337 337 VAL CA C 13 66.5444 0.3 . 1 . . . . 332 VAL CA . 18103 1 1564 . 1 1 337 337 VAL CB C 13 29.9504 0.3 . 1 . . . . 332 VAL CB . 18103 1 1565 . 1 1 337 337 VAL N N 15 119.148 0.23 . 1 . . . . 332 VAL N . 18103 1 1566 . 1 1 338 338 GLN H H 1 8.639 0.007 . 1 . . . . 333 GLN H . 18103 1 1567 . 1 1 338 338 GLN C C 13 178.0164 0.15 . 1 . . . . 333 GLN C . 18103 1 1568 . 1 1 338 338 GLN CA C 13 59.6204 0.3 . 1 . . . . 333 GLN CA . 18103 1 1569 . 1 1 338 338 GLN CB C 13 27.2844 0.3 . 1 . . . . 333 GLN CB . 18103 1 1570 . 1 1 338 338 GLN N N 15 121.43 0.23 . 1 . . . . 333 GLN N . 18103 1 1571 . 1 1 339 339 PHE H H 1 7.542 0.007 . 1 . . . . 334 PHE H . 18103 1 1572 . 1 1 339 339 PHE C C 13 178.8604 0.15 . 1 . . . . 334 PHE C . 18103 1 1573 . 1 1 339 339 PHE CA C 13 60.5934 0.3 . 1 . . . . 334 PHE CA . 18103 1 1574 . 1 1 339 339 PHE CB C 13 38.1574 0.3 . 1 . . . . 334 PHE CB . 18103 1 1575 . 1 1 339 339 PHE N N 15 120.54 0.23 . 1 . . . . 334 PHE N . 18103 1 1576 . 1 1 340 340 VAL H H 1 8.478 0.007 . 1 . . . . 335 VAL H . 18103 1 1577 . 1 1 340 340 VAL C C 13 177.7624 0.15 . 1 . . . . 335 VAL C . 18103 1 1578 . 1 1 340 340 VAL CA C 13 65.3874 0.3 . 1 . . . . 335 VAL CA . 18103 1 1579 . 1 1 340 340 VAL CB C 13 30.6944 0.3 . 1 . . . . 335 VAL CB . 18103 1 1580 . 1 1 340 340 VAL N N 15 120.854 0.23 . 1 . . . . 335 VAL N . 18103 1 1581 . 1 1 341 341 PHE H H 1 9.161 0.007 . 1 . . . . 336 PHE H . 18103 1 1582 . 1 1 341 341 PHE C C 13 178.4374 0.15 . 1 . . . . 336 PHE C . 18103 1 1583 . 1 1 341 341 PHE CA C 13 62.4454 0.3 . 1 . . . . 336 PHE CA . 18103 1 1584 . 1 1 341 341 PHE CB C 13 37.6574 0.3 . 1 . . . . 336 PHE CB . 18103 1 1585 . 1 1 341 341 PHE N N 15 121.932 0.23 . 1 . . . . 336 PHE N . 18103 1 1586 . 1 1 342 342 ASP H H 1 7.723 0.007 . 1 . . . . 337 ASP H . 18103 1 1587 . 1 1 342 342 ASP C C 13 177.4584 0.15 . 1 . . . . 337 ASP C . 18103 1 1588 . 1 1 342 342 ASP CA C 13 58.0284 0.3 . 1 . . . . 337 ASP CA . 18103 1 1589 . 1 1 342 342 ASP CB C 13 40.5274 0.3 . 1 . . . . 337 ASP CB . 18103 1 1590 . 1 1 342 342 ASP N N 15 123.009 0.23 . 1 . . . . 337 ASP N . 18103 1 1591 . 1 1 343 343 ALA H H 1 6.923 0.007 . 1 . . . . 338 ALA H . 18103 1 1592 . 1 1 343 343 ALA C C 13 181.5274 0.15 . 1 . . . . 338 ALA C . 18103 1 1593 . 1 1 343 343 ALA CA C 13 54.5554 0.3 . 1 . . . . 338 ALA CA . 18103 1 1594 . 1 1 343 343 ALA CB C 13 16.9654 0.3 . 1 . . . . 338 ALA CB . 18103 1 1595 . 1 1 343 343 ALA N N 15 122.661 0.23 . 1 . . . . 338 ALA N . 18103 1 1596 . 1 1 344 344 VAL H H 1 8.397 0.007 . 1 . . . . 339 VAL H . 18103 1 1597 . 1 1 344 344 VAL C C 13 177.3944 0.15 . 1 . . . . 339 VAL C . 18103 1 1598 . 1 1 344 344 VAL CA C 13 65.5954 0.3 . 1 . . . . 339 VAL CA . 18103 1 1599 . 1 1 344 344 VAL CB C 13 30.7084 0.3 . 1 . . . . 339 VAL CB . 18103 1 1600 . 1 1 344 344 VAL N N 15 120.549 0.23 . 1 . . . . 339 VAL N . 18103 1 1601 . 1 1 345 345 THR H H 1 7.929 0.007 . 1 . . . . 340 THR H . 18103 1 1602 . 1 1 345 345 THR C C 13 175.5104 0.15 . 1 . . . . 340 THR C . 18103 1 1603 . 1 1 345 345 THR CA C 13 67.8254 0.3 . 1 . . . . 340 THR CA . 18103 1 1604 . 1 1 345 345 THR CB C 13 69.9214 0.3 . 1 . . . . 340 THR CB . 18103 1 1605 . 1 1 345 345 THR N N 15 116.696 0.23 . 1 . . . . 340 THR N . 18103 1 1606 . 1 1 346 346 ASP H H 1 7.406 0.007 . 1 . . . . 341 ASP H . 18103 1 1607 . 1 1 346 346 ASP C C 13 178.6784 0.15 . 1 . . . . 341 ASP C . 18103 1 1608 . 1 1 346 346 ASP CA C 13 57.4704 0.3 . 1 . . . . 341 ASP CA . 18103 1 1609 . 1 1 346 346 ASP CB C 13 39.6244 0.3 . 1 . . . . 341 ASP CB . 18103 1 1610 . 1 1 346 346 ASP N N 15 121.806 0.23 . 1 . . . . 341 ASP N . 18103 1 1611 . 1 1 347 347 VAL H H 1 7.222 0.007 . 1 . . . . 342 VAL H . 18103 1 1612 . 1 1 347 347 VAL C C 13 177.8694 0.15 . 1 . . . . 342 VAL C . 18103 1 1613 . 1 1 347 347 VAL CA C 13 65.8734 0.3 . 1 . . . . 342 VAL CA . 18103 1 1614 . 1 1 347 347 VAL CB C 13 30.4304 0.3 . 1 . . . . 342 VAL CB . 18103 1 1615 . 1 1 347 347 VAL N N 15 120.783 0.23 . 1 . . . . 342 VAL N . 18103 1 1616 . 1 1 348 348 ILE H H 1 7.65 0.007 . 1 . . . . 343 ILE H . 18103 1 1617 . 1 1 348 348 ILE C C 13 178.8714 0.15 . 1 . . . . 343 ILE C . 18103 1 1618 . 1 1 348 348 ILE CA C 13 64.4554 0.3 . 1 . . . . 343 ILE CA . 18103 1 1619 . 1 1 348 348 ILE CB C 13 37.1964 0.3 . 1 . . . . 343 ILE CB . 18103 1 1620 . 1 1 348 348 ILE N N 15 122.054 0.23 . 1 . . . . 343 ILE N . 18103 1 1621 . 1 1 349 349 ILE H H 1 8.356 0.007 . 1 . . . . 344 ILE H . 18103 1 1622 . 1 1 349 349 ILE C C 13 178.2314 0.15 . 1 . . . . 344 ILE C . 18103 1 1623 . 1 1 349 349 ILE CA C 13 65.2884 0.3 . 1 . . . . 344 ILE CA . 18103 1 1624 . 1 1 349 349 ILE CB C 13 37.2914 0.3 . 1 . . . . 344 ILE CB . 18103 1 1625 . 1 1 349 349 ILE N N 15 121.553 0.23 . 1 . . . . 344 ILE N . 18103 1 1626 . 1 1 350 350 LYS H H 1 7.778 0.007 . 1 . . . . 345 LYS H . 18103 1 1627 . 1 1 350 350 LYS C C 13 178.5424 0.15 . 1 . . . . 345 LYS C . 18103 1 1628 . 1 1 350 350 LYS CA C 13 58.9824 0.3 . 1 . . . . 345 LYS CA . 18103 1 1629 . 1 1 350 350 LYS CB C 13 31.5144 0.3 . 1 . . . . 345 LYS CB . 18103 1 1630 . 1 1 350 350 LYS N N 15 119.17 0.23 . 1 . . . . 345 LYS N . 18103 1 1631 . 1 1 351 351 ASN H H 1 8.113 0.007 . 1 . . . . 346 ASN H . 18103 1 1632 . 1 1 351 351 ASN C C 13 176.5414 0.15 . 1 . . . . 346 ASN C . 18103 1 1633 . 1 1 351 351 ASN CA C 13 54.3274 0.3 . 1 . . . . 346 ASN CA . 18103 1 1634 . 1 1 351 351 ASN CB C 13 38.3614 0.3 . 1 . . . . 346 ASN CB . 18103 1 1635 . 1 1 351 351 ASN N N 15 116.279 0.23 . 1 . . . . 346 ASN N . 18103 1 1636 . 1 1 352 352 ASN H H 1 8.148 0.007 . 1 . . . . 347 ASN H . 18103 1 1637 . 1 1 352 352 ASN C C 13 175.4674 0.15 . 1 . . . . 347 ASN C . 18103 1 1638 . 1 1 352 352 ASN CA C 13 54.6874 0.3 . 1 . . . . 347 ASN CA . 18103 1 1639 . 1 1 352 352 ASN CB C 13 39.6784 0.3 . 1 . . . . 347 ASN CB . 18103 1 1640 . 1 1 352 352 ASN N N 15 118.404 0.23 . 1 . . . . 347 ASN N . 18103 1 1641 . 1 1 353 353 LEU H H 1 7.694 0.007 . 1 . . . . 348 LEU H . 18103 1 1642 . 1 1 353 353 LEU C C 13 177.4684 0.15 . 1 . . . . 348 LEU C . 18103 1 1643 . 1 1 353 353 LEU CA C 13 55.2674 0.3 . 1 . . . . 348 LEU CA . 18103 1 1644 . 1 1 353 353 LEU CB C 13 41.5374 0.3 . 1 . . . . 348 LEU CB . 18103 1 1645 . 1 1 353 353 LEU N N 15 121.426 0.23 . 1 . . . . 348 LEU N . 18103 1 1646 . 1 1 354 354 LYS H H 1 7.79 0.007 . 1 . . . . 349 LYS H . 18103 1 1647 . 1 1 354 354 LYS C C 13 177.2874 0.15 . 1 . . . . 349 LYS C . 18103 1 1648 . 1 1 354 354 LYS CA C 13 56.7874 0.3 . 1 . . . . 349 LYS CA . 18103 1 1649 . 1 1 354 354 LYS CB C 13 31.7074 0.3 . 1 . . . . 349 LYS CB . 18103 1 1650 . 1 1 354 354 LYS N N 15 121.008 0.23 . 1 . . . . 349 LYS N . 18103 1 1651 . 1 1 355 355 GLU H H 1 8.253 0.007 . 1 . . . . 350 GLU H . 18103 1 1652 . 1 1 355 355 GLU C C 13 176.7674 0.15 . 1 . . . . 350 GLU C . 18103 1 1653 . 1 1 355 355 GLU CA C 13 56.4134 0.3 . 1 . . . . 350 GLU CA . 18103 1 1654 . 1 1 355 355 GLU CB C 13 28.9184 0.3 . 1 . . . . 350 GLU CB . 18103 1 1655 . 1 1 355 355 GLU N N 15 121.377 0.23 . 1 . . . . 350 GLU N . 18103 1 1656 . 1 1 356 356 CYS H H 1 8.116 0.007 . 1 . . . . 351 CYS H . 18103 1 1657 . 1 1 356 356 CYS C C 13 174.9814 0.15 . 1 . . . . 351 CYS C . 18103 1 1658 . 1 1 356 356 CYS CA C 13 58.5794 0.3 . 1 . . . . 351 CYS CA . 18103 1 1659 . 1 1 356 356 CYS CB C 13 27.6504 0.3 . 1 . . . . 351 CYS CB . 18103 1 1660 . 1 1 356 356 CYS N N 15 119.671 0.23 . 1 . . . . 351 CYS N . 18103 1 1661 . 1 1 357 357 GLY H H 1 8.247 0.007 . 1 . . . . 352 GLY H . 18103 1 1662 . 1 1 357 357 GLY C C 13 173.7534 0.15 . 1 . . . . 352 GLY C . 18103 1 1663 . 1 1 357 357 GLY CA C 13 45.0644 0.3 . 1 . . . . 352 GLY CA . 18103 1 1664 . 1 1 357 357 GLY N N 15 111.595 0.23 . 1 . . . . 352 GLY N . 18103 1 1665 . 1 1 358 358 LEU H H 1 7.791 0.007 . 1 . . . . 353 LEU H . 18103 1 1666 . 1 1 358 358 LEU C C 13 175.8564 0.15 . 1 . . . . 353 LEU C . 18103 1 1667 . 1 1 358 358 LEU CA C 13 54.8374 0.3 . 1 . . . . 353 LEU CA . 18103 1 1668 . 1 1 358 358 LEU CB C 13 42.3764 0.3 . 1 . . . . 353 LEU CB . 18103 1 1669 . 1 1 358 358 LEU N N 15 122.506 0.23 . 1 . . . . 353 LEU N . 18103 1 1670 . 1 1 359 359 TYR H H 1 7.455 0.007 . 1 . . . . 354 TYR H . 18103 1 1671 . 1 1 359 359 TYR C C 13 180.3444 0.15 . 1 . . . . 354 TYR C . 18103 1 1672 . 1 1 359 359 TYR CA C 13 58.5504 0.3 . 1 . . . . 354 TYR CA . 18103 1 1673 . 1 1 359 359 TYR CB C 13 39.4204 0.3 . 1 . . . . 354 TYR CB . 18103 1 1674 . 1 1 359 359 TYR N N 15 125.568 0.23 . 1 . . . . 354 TYR N . 18103 1 stop_ save_