data_15788 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15788 _Entry.Title ; X-ray crystallographic and Solution State NMR Spectroscopic Investigations of NADP+ Binding to Ferredoxin-NADP Reductase (FPR) from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-29 _Entry.Accession_date 2008-05-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 An Wang . . . 15788 2 Mario Rivera . . . 15788 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Mario Rivera group' . 15788 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15788 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 682 15788 '15N chemical shifts' 223 15788 '1H chemical shifts' 223 15788 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 3 . . 2009-02-24 2007-05-29 update BMRB 'Complete entry citation' 15788 2 . . 2009-02-10 2007-05-29 update BMRB 'Add author residue sequences' 15788 1 . . 2008-07-15 2007-05-29 original author 'original release' 15788 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2QDX 'crystal structure' 15788 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15788 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18605699 _Citation.Full_citation . _Citation.Title 'X-ray Crystallographic and Solution State Nuclear Magnetic Resonance Spectroscopic Investigations of NADP(+) Binding to Ferredoxin NADP Reductase from Pseudomonas aeruginosa' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 31 _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 8080 _Citation.Page_last 8093 _Citation.Year 2008 _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 An Wang . . . 15788 1 2 'Juan Carlos' Rodriguez . . . 15788 1 3 Huijong Han . . . 15788 1 4 Ernst Schonbrunn . . . 15788 1 5 Mario Rivera . . . 15788 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ferredoxin NADP reductase' 15788 1 'Pseudomonas aeruginosa' 15788 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15788 _Assembly.ID 1 _Assembly.Name 'Ferredoxin-NADP Reductase' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'This Pseudomonas aeruginosa Ferredoxin-NADP Reductase contains non-covalently bound FAD cofactor, NADP coenzyme is absent or not bound with the polypeptide in this NMR backbone assignment study' _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 'subunit 1' 1 $Ferredoxin-NADP_Reductase_Polypeptide A . yes native no no . . . 15788 1 2 'FAD cofactor' 2 $FAD B . no native no no . . . 15788 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2QDX . . X-ray 1.5 'Structure for the protein in this study' . 15788 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ferredoxin-NADP_Reductase_Polypeptide _Entity.Sf_category entity _Entity.Sf_framecode Ferredoxin-NADP_Reductase_Polypeptide _Entity.Entry_ID 15788 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ferredoxin-NADP_Reductase_Polypeptide _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 ; MSNLYTERVLSVHHWNDTLF SFKTTRNPGLRFKTGQFVMI GLEVDGRPLMRAYSIASPNY EEHLEFFSIKVPDGPLTSRL QHLKEGDELMVSRKPTGTLV HDDLLPGKHLYLLSTGTGMA PFLSVIQDPETYERYEKVIL VHGVRWVSELAYADFITKVL PEHEYFGDQVKEKLIYYPLV TREPFRNQGRQTDLMRSGKL FEDIGLPPMNPQDDRAMICG SPSMLEETSAVLDSFGLKIS PRMGEPGDYLIERAFVEK ; _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 258 _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 2015-11-26 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 PDB 2QDX . "P.Aeruginosa Fpr With Fad" . . . . . 99.61 257 100.00 100.00 0.00e+00 . . . . 15788 1 2 no PDB 3CRZ . "Ferredoxin-Nadp Reductase" . . . . . 99.61 257 100.00 100.00 0.00e+00 . . . . 15788 1 3 no DBJ BAK91356 . "ferredoxin-NADP+ reductase [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 4 no DBJ BAP21977 . "ferredoxin-NADP+ reductase [Pseudomonas aeruginosa]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 5 no DBJ BAP49607 . "ferredoxin-NADP+ reductase [Pseudomonas aeruginosa]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 6 no DBJ BAQ38494 . "ferredoxin-NADP+ reductase [Pseudomonas aeruginosa]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 7 no DBJ BAR66559 . "ferredoxin--NADP(+) reductase [Pseudomonas aeruginosa]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 8 no EMBL CAW26392 . "ferredoxin--NADP+ reductase [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 9 no EMBL CCQ84255 . "Ferredoxin--NADP(+) reductase [Pseudomonas aeruginosa 18A]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 10 no EMBL CDH69932 . "Ferredoxin-NADP reductase [Pseudomonas aeruginosa MH38]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 11 no EMBL CDH76013 . "Ferredoxin-NADP reductase [Pseudomonas aeruginosa MH27]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 12 no EMBL CDI91808 . "ferredoxin-NADP+ reductase [Pseudomonas aeruginosa PA38182]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 13 no GB AAG06785 . "ferredoxin--NADP+ reductase [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 14 no GB ABJ12651 . "ferredoxin--NADP+ reductase [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 15 no GB ABR86893 . "ferredoxin--NADP+ reductase [Pseudomonas aeruginosa PA7]" . . . . . 100.00 258 99.61 100.00 0.00e+00 . . . . 15788 1 16 no GB AEO74057 . "ferredoxin--NADP+ reductase [Pseudomonas aeruginosa M18]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 17 no GB AFM63750 . "ferredoxin--NADP reductase [Pseudomonas aeruginosa DK2]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 18 no REF NP_252087 . "ferredoxin-NADP reductase [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 19 no REF WP_003091832 . "MULTISPECIES: ferredoxin--NADP(+) reductase [Pseudomonas]" . . . . . 100.00 258 100.00 100.00 0.00e+00 . . . . 15788 1 20 no REF WP_003124290 . "ferredoxin--NADP(+) reductase [Pseudomonas aeruginosa]" . . . . . 100.00 258 99.61 100.00 0.00e+00 . . . . 15788 1 21 no REF WP_003157318 . "ferredoxin--NADP(+) reductase [Pseudomonas aeruginosa]" . . . . . 100.00 258 99.61 100.00 0.00e+00 . . . . 15788 1 22 no REF WP_034031305 . "ferredoxin--NADP(+) reductase [Pseudomonas aeruginosa]" . . . . . 100.00 258 99.61 99.61 0.00e+00 . . . . 15788 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 0 MET . 15788 1 2 1 SER . 15788 1 3 2 ASN . 15788 1 4 3 LEU . 15788 1 5 4 TYR . 15788 1 6 5 THR . 15788 1 7 6 GLU . 15788 1 8 7 ARG . 15788 1 9 8 VAL . 15788 1 10 9 LEU . 15788 1 11 10 SER . 15788 1 12 11 VAL . 15788 1 13 12 HIS . 15788 1 14 13 HIS . 15788 1 15 14 TRP . 15788 1 16 15 ASN . 15788 1 17 16 ASP . 15788 1 18 17 THR . 15788 1 19 18 LEU . 15788 1 20 19 PHE . 15788 1 21 20 SER . 15788 1 22 21 PHE . 15788 1 23 22 LYS . 15788 1 24 23 THR . 15788 1 25 24 THR . 15788 1 26 25 ARG . 15788 1 27 26 ASN . 15788 1 28 27 PRO . 15788 1 29 28 GLY . 15788 1 30 29 LEU . 15788 1 31 30 ARG . 15788 1 32 31 PHE . 15788 1 33 32 LYS . 15788 1 34 33 THR . 15788 1 35 34 GLY . 15788 1 36 35 GLN . 15788 1 37 36 PHE . 15788 1 38 37 VAL . 15788 1 39 38 MET . 15788 1 40 39 ILE . 15788 1 41 40 GLY . 15788 1 42 41 LEU . 15788 1 43 42 GLU . 15788 1 44 43 VAL . 15788 1 45 44 ASP . 15788 1 46 45 GLY . 15788 1 47 46 ARG . 15788 1 48 47 PRO . 15788 1 49 48 LEU . 15788 1 50 49 MET . 15788 1 51 50 ARG . 15788 1 52 51 ALA . 15788 1 53 52 TYR . 15788 1 54 53 SER . 15788 1 55 54 ILE . 15788 1 56 55 ALA . 15788 1 57 56 SER . 15788 1 58 57 PRO . 15788 1 59 58 ASN . 15788 1 60 59 TYR . 15788 1 61 60 GLU . 15788 1 62 61 GLU . 15788 1 63 62 HIS . 15788 1 64 63 LEU . 15788 1 65 64 GLU . 15788 1 66 65 PHE . 15788 1 67 66 PHE . 15788 1 68 67 SER . 15788 1 69 68 ILE . 15788 1 70 69 LYS . 15788 1 71 70 VAL . 15788 1 72 71 PRO . 15788 1 73 72 ASP . 15788 1 74 73 GLY . 15788 1 75 74 PRO . 15788 1 76 75 LEU . 15788 1 77 76 THR . 15788 1 78 77 SER . 15788 1 79 78 ARG . 15788 1 80 79 LEU . 15788 1 81 80 GLN . 15788 1 82 81 HIS . 15788 1 83 82 LEU . 15788 1 84 83 LYS . 15788 1 85 84 GLU . 15788 1 86 85 GLY . 15788 1 87 86 ASP . 15788 1 88 87 GLU . 15788 1 89 88 LEU . 15788 1 90 89 MET . 15788 1 91 90 VAL . 15788 1 92 91 SER . 15788 1 93 92 ARG . 15788 1 94 93 LYS . 15788 1 95 94 PRO . 15788 1 96 95 THR . 15788 1 97 96 GLY . 15788 1 98 97 THR . 15788 1 99 98 LEU . 15788 1 100 99 VAL . 15788 1 101 100 HIS . 15788 1 102 101 ASP . 15788 1 103 102 ASP . 15788 1 104 103 LEU . 15788 1 105 104 LEU . 15788 1 106 105 PRO . 15788 1 107 106 GLY . 15788 1 108 107 LYS . 15788 1 109 108 HIS . 15788 1 110 109 LEU . 15788 1 111 110 TYR . 15788 1 112 111 LEU . 15788 1 113 112 LEU . 15788 1 114 113 SER . 15788 1 115 114 THR . 15788 1 116 115 GLY . 15788 1 117 116 THR . 15788 1 118 117 GLY . 15788 1 119 118 MET . 15788 1 120 119 ALA . 15788 1 121 120 PRO . 15788 1 122 121 PHE . 15788 1 123 122 LEU . 15788 1 124 123 SER . 15788 1 125 124 VAL . 15788 1 126 125 ILE . 15788 1 127 126 GLN . 15788 1 128 127 ASP . 15788 1 129 128 PRO . 15788 1 130 129 GLU . 15788 1 131 130 THR . 15788 1 132 131 TYR . 15788 1 133 132 GLU . 15788 1 134 133 ARG . 15788 1 135 134 TYR . 15788 1 136 135 GLU . 15788 1 137 136 LYS . 15788 1 138 137 VAL . 15788 1 139 138 ILE . 15788 1 140 139 LEU . 15788 1 141 140 VAL . 15788 1 142 141 HIS . 15788 1 143 142 GLY . 15788 1 144 143 VAL . 15788 1 145 144 ARG . 15788 1 146 145 TRP . 15788 1 147 146 VAL . 15788 1 148 147 SER . 15788 1 149 148 GLU . 15788 1 150 149 LEU . 15788 1 151 150 ALA . 15788 1 152 151 TYR . 15788 1 153 152 ALA . 15788 1 154 153 ASP . 15788 1 155 154 PHE . 15788 1 156 155 ILE . 15788 1 157 156 THR . 15788 1 158 157 LYS . 15788 1 159 158 VAL . 15788 1 160 159 LEU . 15788 1 161 160 PRO . 15788 1 162 161 GLU . 15788 1 163 162 HIS . 15788 1 164 163 GLU . 15788 1 165 164 TYR . 15788 1 166 165 PHE . 15788 1 167 166 GLY . 15788 1 168 167 ASP . 15788 1 169 168 GLN . 15788 1 170 169 VAL . 15788 1 171 170 LYS . 15788 1 172 171 GLU . 15788 1 173 172 LYS . 15788 1 174 173 LEU . 15788 1 175 174 ILE . 15788 1 176 175 TYR . 15788 1 177 176 TYR . 15788 1 178 177 PRO . 15788 1 179 178 LEU . 15788 1 180 179 VAL . 15788 1 181 180 THR . 15788 1 182 181 ARG . 15788 1 183 182 GLU . 15788 1 184 183 PRO . 15788 1 185 184 PHE . 15788 1 186 185 ARG . 15788 1 187 186 ASN . 15788 1 188 187 GLN . 15788 1 189 188 GLY . 15788 1 190 189 ARG . 15788 1 191 190 GLN . 15788 1 192 191 THR . 15788 1 193 192 ASP . 15788 1 194 193 LEU . 15788 1 195 194 MET . 15788 1 196 195 ARG . 15788 1 197 196 SER . 15788 1 198 197 GLY . 15788 1 199 198 LYS . 15788 1 200 199 LEU . 15788 1 201 200 PHE . 15788 1 202 201 GLU . 15788 1 203 202 ASP . 15788 1 204 203 ILE . 15788 1 205 204 GLY . 15788 1 206 205 LEU . 15788 1 207 206 PRO . 15788 1 208 207 PRO . 15788 1 209 208 MET . 15788 1 210 209 ASN . 15788 1 211 210 PRO . 15788 1 212 211 GLN . 15788 1 213 212 ASP . 15788 1 214 213 ASP . 15788 1 215 214 ARG . 15788 1 216 215 ALA . 15788 1 217 216 MET . 15788 1 218 217 ILE . 15788 1 219 218 CYS . 15788 1 220 219 GLY . 15788 1 221 220 SER . 15788 1 222 221 PRO . 15788 1 223 222 SER . 15788 1 224 223 MET . 15788 1 225 224 LEU . 15788 1 226 225 GLU . 15788 1 227 226 GLU . 15788 1 228 227 THR . 15788 1 229 228 SER . 15788 1 230 229 ALA . 15788 1 231 230 VAL . 15788 1 232 231 LEU . 15788 1 233 232 ASP . 15788 1 234 233 SER . 15788 1 235 234 PHE . 15788 1 236 235 GLY . 15788 1 237 236 LEU . 15788 1 238 237 LYS . 15788 1 239 238 ILE . 15788 1 240 239 SER . 15788 1 241 240 PRO . 15788 1 242 241 ARG . 15788 1 243 242 MET . 15788 1 244 243 GLY . 15788 1 245 244 GLU . 15788 1 246 245 PRO . 15788 1 247 246 GLY . 15788 1 248 247 ASP . 15788 1 249 248 TYR . 15788 1 250 249 LEU . 15788 1 251 250 ILE . 15788 1 252 251 GLU . 15788 1 253 252 ARG . 15788 1 254 253 ALA . 15788 1 255 254 PHE . 15788 1 256 255 VAL . 15788 1 257 256 GLU . 15788 1 258 257 LYS . 15788 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15788 1 . SER 2 2 15788 1 . ASN 3 3 15788 1 . LEU 4 4 15788 1 . TYR 5 5 15788 1 . THR 6 6 15788 1 . GLU 7 7 15788 1 . ARG 8 8 15788 1 . VAL 9 9 15788 1 . LEU 10 10 15788 1 . SER 11 11 15788 1 . VAL 12 12 15788 1 . HIS 13 13 15788 1 . HIS 14 14 15788 1 . TRP 15 15 15788 1 . ASN 16 16 15788 1 . ASP 17 17 15788 1 . THR 18 18 15788 1 . LEU 19 19 15788 1 . PHE 20 20 15788 1 . SER 21 21 15788 1 . PHE 22 22 15788 1 . LYS 23 23 15788 1 . THR 24 24 15788 1 . THR 25 25 15788 1 . ARG 26 26 15788 1 . ASN 27 27 15788 1 . PRO 28 28 15788 1 . GLY 29 29 15788 1 . LEU 30 30 15788 1 . ARG 31 31 15788 1 . PHE 32 32 15788 1 . LYS 33 33 15788 1 . THR 34 34 15788 1 . GLY 35 35 15788 1 . GLN 36 36 15788 1 . PHE 37 37 15788 1 . VAL 38 38 15788 1 . MET 39 39 15788 1 . ILE 40 40 15788 1 . GLY 41 41 15788 1 . LEU 42 42 15788 1 . GLU 43 43 15788 1 . VAL 44 44 15788 1 . ASP 45 45 15788 1 . GLY 46 46 15788 1 . ARG 47 47 15788 1 . PRO 48 48 15788 1 . LEU 49 49 15788 1 . MET 50 50 15788 1 . ARG 51 51 15788 1 . ALA 52 52 15788 1 . TYR 53 53 15788 1 . SER 54 54 15788 1 . ILE 55 55 15788 1 . ALA 56 56 15788 1 . SER 57 57 15788 1 . PRO 58 58 15788 1 . ASN 59 59 15788 1 . TYR 60 60 15788 1 . GLU 61 61 15788 1 . GLU 62 62 15788 1 . HIS 63 63 15788 1 . LEU 64 64 15788 1 . GLU 65 65 15788 1 . PHE 66 66 15788 1 . PHE 67 67 15788 1 . SER 68 68 15788 1 . ILE 69 69 15788 1 . LYS 70 70 15788 1 . VAL 71 71 15788 1 . PRO 72 72 15788 1 . ASP 73 73 15788 1 . GLY 74 74 15788 1 . PRO 75 75 15788 1 . LEU 76 76 15788 1 . THR 77 77 15788 1 . SER 78 78 15788 1 . ARG 79 79 15788 1 . LEU 80 80 15788 1 . GLN 81 81 15788 1 . HIS 82 82 15788 1 . LEU 83 83 15788 1 . LYS 84 84 15788 1 . GLU 85 85 15788 1 . GLY 86 86 15788 1 . ASP 87 87 15788 1 . GLU 88 88 15788 1 . LEU 89 89 15788 1 . MET 90 90 15788 1 . VAL 91 91 15788 1 . SER 92 92 15788 1 . ARG 93 93 15788 1 . LYS 94 94 15788 1 . PRO 95 95 15788 1 . THR 96 96 15788 1 . GLY 97 97 15788 1 . THR 98 98 15788 1 . LEU 99 99 15788 1 . VAL 100 100 15788 1 . HIS 101 101 15788 1 . ASP 102 102 15788 1 . ASP 103 103 15788 1 . LEU 104 104 15788 1 . LEU 105 105 15788 1 . PRO 106 106 15788 1 . GLY 107 107 15788 1 . LYS 108 108 15788 1 . HIS 109 109 15788 1 . LEU 110 110 15788 1 . TYR 111 111 15788 1 . LEU 112 112 15788 1 . LEU 113 113 15788 1 . SER 114 114 15788 1 . THR 115 115 15788 1 . GLY 116 116 15788 1 . THR 117 117 15788 1 . GLY 118 118 15788 1 . MET 119 119 15788 1 . ALA 120 120 15788 1 . PRO 121 121 15788 1 . PHE 122 122 15788 1 . LEU 123 123 15788 1 . SER 124 124 15788 1 . VAL 125 125 15788 1 . ILE 126 126 15788 1 . GLN 127 127 15788 1 . ASP 128 128 15788 1 . PRO 129 129 15788 1 . GLU 130 130 15788 1 . THR 131 131 15788 1 . TYR 132 132 15788 1 . GLU 133 133 15788 1 . ARG 134 134 15788 1 . TYR 135 135 15788 1 . GLU 136 136 15788 1 . LYS 137 137 15788 1 . VAL 138 138 15788 1 . ILE 139 139 15788 1 . LEU 140 140 15788 1 . VAL 141 141 15788 1 . HIS 142 142 15788 1 . GLY 143 143 15788 1 . VAL 144 144 15788 1 . ARG 145 145 15788 1 . TRP 146 146 15788 1 . VAL 147 147 15788 1 . SER 148 148 15788 1 . GLU 149 149 15788 1 . LEU 150 150 15788 1 . ALA 151 151 15788 1 . TYR 152 152 15788 1 . ALA 153 153 15788 1 . ASP 154 154 15788 1 . PHE 155 155 15788 1 . ILE 156 156 15788 1 . THR 157 157 15788 1 . LYS 158 158 15788 1 . VAL 159 159 15788 1 . LEU 160 160 15788 1 . PRO 161 161 15788 1 . GLU 162 162 15788 1 . HIS 163 163 15788 1 . GLU 164 164 15788 1 . TYR 165 165 15788 1 . PHE 166 166 15788 1 . GLY 167 167 15788 1 . ASP 168 168 15788 1 . GLN 169 169 15788 1 . VAL 170 170 15788 1 . LYS 171 171 15788 1 . GLU 172 172 15788 1 . LYS 173 173 15788 1 . LEU 174 174 15788 1 . ILE 175 175 15788 1 . TYR 176 176 15788 1 . TYR 177 177 15788 1 . PRO 178 178 15788 1 . LEU 179 179 15788 1 . VAL 180 180 15788 1 . THR 181 181 15788 1 . ARG 182 182 15788 1 . GLU 183 183 15788 1 . PRO 184 184 15788 1 . PHE 185 185 15788 1 . ARG 186 186 15788 1 . ASN 187 187 15788 1 . GLN 188 188 15788 1 . GLY 189 189 15788 1 . ARG 190 190 15788 1 . GLN 191 191 15788 1 . THR 192 192 15788 1 . ASP 193 193 15788 1 . LEU 194 194 15788 1 . MET 195 195 15788 1 . ARG 196 196 15788 1 . SER 197 197 15788 1 . GLY 198 198 15788 1 . LYS 199 199 15788 1 . LEU 200 200 15788 1 . PHE 201 201 15788 1 . GLU 202 202 15788 1 . ASP 203 203 15788 1 . ILE 204 204 15788 1 . GLY 205 205 15788 1 . LEU 206 206 15788 1 . PRO 207 207 15788 1 . PRO 208 208 15788 1 . MET 209 209 15788 1 . ASN 210 210 15788 1 . PRO 211 211 15788 1 . GLN 212 212 15788 1 . ASP 213 213 15788 1 . ASP 214 214 15788 1 . ARG 215 215 15788 1 . ALA 216 216 15788 1 . MET 217 217 15788 1 . ILE 218 218 15788 1 . CYS 219 219 15788 1 . GLY 220 220 15788 1 . SER 221 221 15788 1 . PRO 222 222 15788 1 . SER 223 223 15788 1 . MET 224 224 15788 1 . LEU 225 225 15788 1 . GLU 226 226 15788 1 . GLU 227 227 15788 1 . THR 228 228 15788 1 . SER 229 229 15788 1 . ALA 230 230 15788 1 . VAL 231 231 15788 1 . LEU 232 232 15788 1 . ASP 233 233 15788 1 . SER 234 234 15788 1 . PHE 235 235 15788 1 . GLY 236 236 15788 1 . LEU 237 237 15788 1 . LYS 238 238 15788 1 . ILE 239 239 15788 1 . SER 240 240 15788 1 . PRO 241 241 15788 1 . ARG 242 242 15788 1 . MET 243 243 15788 1 . GLY 244 244 15788 1 . GLU 245 245 15788 1 . PRO 246 246 15788 1 . GLY 247 247 15788 1 . ASP 248 248 15788 1 . TYR 249 249 15788 1 . LEU 250 250 15788 1 . ILE 251 251 15788 1 . GLU 252 252 15788 1 . ARG 253 253 15788 1 . ALA 254 254 15788 1 . PHE 255 255 15788 1 . VAL 256 256 15788 1 . GLU 257 257 15788 1 . LYS 258 258 15788 1 stop_ save_ save_FAD _Entity.Sf_category entity _Entity.Sf_framecode FAD _Entity.Entry_ID 15788 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FAD _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 FAD _Entity.Nonpolymer_comp_label $chem_comp_FAD _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . FAD . 15788 2 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 15788 _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 $Ferredoxin-NADP_Reductase_Polypeptide . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 15788 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 15788 _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 $Ferredoxin-NADP_Reductase_Polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet11a . . . . . . 15788 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FAD _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FAD _Chem_comp.Entry_ID 15788 _Chem_comp.ID FAD _Chem_comp.Provenance . _Chem_comp.Name 'FLAVIN-ADENINE DINUCLEOTIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FAD _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 FAD _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 . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C27 H33 N9 O15 P2' _Chem_comp.Formula_weight 785.550 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Fri Feb 15 18:54:04 2008 ; _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 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 15788 FAD Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15788 FAD Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C SMILES_CANONICAL CACTVS 3.341 15788 FAD Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C SMILES CACTVS 3.341 15788 FAD InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 InChI InChI 1.01 15788 FAD O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C SMILES ACDLabs 10.04 15788 FAD 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-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)' 'SYSTEMATIC NAME' ACDLabs 10.04 15788 FAD '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15788 FAD 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 C1' . C1' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C10 . C10 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C1B . C1B . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C2 . C2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C2' . C2' . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C2A . C2A . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C2B . C2B . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C3' . C3' . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C3B . C3B . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C4 . C4 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C4' . C4' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C4A . C4A . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C4B . C4B . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C4X . C4X . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C5' . C5' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C5A . C5A . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C5B . C5B . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C5X . C5X . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C6 . C6 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C6A . C6A . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C7 . C7 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C7M . C7M . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C8 . C8 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C8A . C8A . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C8M . C8M . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD C9 . C9 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD C9A . C9A . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD H1'1 . H1'1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H1'2 . H1'2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H1B . H1B . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H2' . H2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H2A . H2A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H2B . H2B . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H3' . H3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H3B . H3B . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H4' . H4' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H4B . H4B . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H5'1 . H5'1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H51A . H51A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H5'2 . H5'2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H52A . H52A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H6 . H6 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H61A . H61A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H62A . H62A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H8A . H8A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD H9 . H9 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HM71 . HM71 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HM72 . HM72 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HM73 . HM73 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HM81 . HM81 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HM82 . HM82 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HM83 . HM83 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HN3 . HN3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HO2' . HO2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HO2A . HO2A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HO3' . HO3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HO3A . HO3A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HO4' . HO4' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HOA2 . HOA2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD HOP2 . HOP2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD N1 . N1 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD N10 . N10 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD N1A . N1A . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD N3 . N3 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD N3A . N3A . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD N5 . N5 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD N6A . N6A . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD N7A . N7A . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD N9A . N9A . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15788 FAD O1A . O1A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O1P . O1P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O2 . O2 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O2' . O2' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O2A . O2A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O2B . O2B . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O2P . O2P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O3' . O3' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O3B . O3B . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O3P . O3P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O4 . O4 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O4' . O4' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O4B . O4B . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O5' . O5' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD O5B . O5B . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD P . P . . P . R . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD PA . PA . . P . R . 0 . . . . no no . . . . . . . . . . . . . . . 15788 FAD 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 . DOUB PA O1A . . . . 15788 FAD 2 . SING PA O2A . . . . 15788 FAD 3 . SING PA O5B . . . . 15788 FAD 4 . SING PA O3P . . . . 15788 FAD 5 . SING O2A HOA2 . . . . 15788 FAD 6 . SING O5B C5B . . . . 15788 FAD 7 . SING C5B C4B . . . . 15788 FAD 8 . SING C5B H51A . . . . 15788 FAD 9 . SING C5B H52A . . . . 15788 FAD 10 . SING C4B O4B . . . . 15788 FAD 11 . SING C4B C3B . . . . 15788 FAD 12 . SING C4B H4B . . . . 15788 FAD 13 . SING O4B C1B . . . . 15788 FAD 14 . SING C3B O3B . . . . 15788 FAD 15 . SING C3B C2B . . . . 15788 FAD 16 . SING C3B H3B . . . . 15788 FAD 17 . SING O3B HO3A . . . . 15788 FAD 18 . SING C2B O2B . . . . 15788 FAD 19 . SING C2B C1B . . . . 15788 FAD 20 . SING C2B H2B . . . . 15788 FAD 21 . SING O2B HO2A . . . . 15788 FAD 22 . SING C1B N9A . . . . 15788 FAD 23 . SING C1B H1B . . . . 15788 FAD 24 . SING N9A C8A . . . . 15788 FAD 25 . SING N9A C4A . . . . 15788 FAD 26 . DOUB C8A N7A . . . . 15788 FAD 27 . SING C8A H8A . . . . 15788 FAD 28 . SING N7A C5A . . . . 15788 FAD 29 . SING C5A C6A . . . . 15788 FAD 30 . DOUB C5A C4A . . . . 15788 FAD 31 . SING C6A N6A . . . . 15788 FAD 32 . DOUB C6A N1A . . . . 15788 FAD 33 . SING N6A H61A . . . . 15788 FAD 34 . SING N6A H62A . . . . 15788 FAD 35 . SING N1A C2A . . . . 15788 FAD 36 . DOUB C2A N3A . . . . 15788 FAD 37 . SING C2A H2A . . . . 15788 FAD 38 . SING N3A C4A . . . . 15788 FAD 39 . SING N1 C2 . . . . 15788 FAD 40 . DOUB N1 C10 . . . . 15788 FAD 41 . DOUB C2 O2 . . . . 15788 FAD 42 . SING C2 N3 . . . . 15788 FAD 43 . SING N3 C4 . . . . 15788 FAD 44 . SING N3 HN3 . . . . 15788 FAD 45 . DOUB C4 O4 . . . . 15788 FAD 46 . SING C4 C4X . . . . 15788 FAD 47 . DOUB C4X N5 . . . . 15788 FAD 48 . SING C4X C10 . . . . 15788 FAD 49 . SING N5 C5X . . . . 15788 FAD 50 . DOUB C5X C6 . . . . 15788 FAD 51 . SING C5X C9A . . . . 15788 FAD 52 . SING C6 C7 . . . . 15788 FAD 53 . SING C6 H6 . . . . 15788 FAD 54 . SING C7 C7M . . . . 15788 FAD 55 . DOUB C7 C8 . . . . 15788 FAD 56 . SING C7M HM71 . . . . 15788 FAD 57 . SING C7M HM72 . . . . 15788 FAD 58 . SING C7M HM73 . . . . 15788 FAD 59 . SING C8 C8M . . . . 15788 FAD 60 . SING C8 C9 . . . . 15788 FAD 61 . SING C8M HM81 . . . . 15788 FAD 62 . SING C8M HM82 . . . . 15788 FAD 63 . SING C8M HM83 . . . . 15788 FAD 64 . DOUB C9 C9A . . . . 15788 FAD 65 . SING C9 H9 . . . . 15788 FAD 66 . SING C9A N10 . . . . 15788 FAD 67 . SING N10 C10 . . . . 15788 FAD 68 . SING N10 C1' . . . . 15788 FAD 69 . SING C1' C2' . . . . 15788 FAD 70 . SING C1' H1'1 . . . . 15788 FAD 71 . SING C1' H1'2 . . . . 15788 FAD 72 . SING C2' O2' . . . . 15788 FAD 73 . SING C2' C3' . . . . 15788 FAD 74 . SING C2' H2' . . . . 15788 FAD 75 . SING O2' HO2' . . . . 15788 FAD 76 . SING C3' O3' . . . . 15788 FAD 77 . SING C3' C4' . . . . 15788 FAD 78 . SING C3' H3' . . . . 15788 FAD 79 . SING O3' HO3' . . . . 15788 FAD 80 . SING C4' O4' . . . . 15788 FAD 81 . SING C4' C5' . . . . 15788 FAD 82 . SING C4' H4' . . . . 15788 FAD 83 . SING O4' HO4' . . . . 15788 FAD 84 . SING C5' O5' . . . . 15788 FAD 85 . SING C5' H5'1 . . . . 15788 FAD 86 . SING C5' H5'2 . . . . 15788 FAD 87 . SING O5' P . . . . 15788 FAD 88 . DOUB P O1P . . . . 15788 FAD 89 . SING P O2P . . . . 15788 FAD 90 . SING P O3P . . . . 15788 FAD 91 . SING O2P HOP2 . . . . 15788 FAD stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2H_13C_15N_labeled_pa-FPR _Sample.Sf_category sample _Sample.Sf_framecode 2H_13C_15N_labeled_pa-FPR _Sample.Entry_ID 15788 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'labeled pa-FPR' '[U-100% 13C; U-100% 15N; 80% 2H]' 1 $assembly . . . . 1.2 . . mM . . . . 15788 1 2 'sodium phosphate buffer pH7' 'natural abundance' . . . . . . 50 . . mM . . . . 15788 1 stop_ save_ save_13C_15N_labeled_pa-FPR _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_labeled_pa-FPR _Sample.Entry_ID 15788 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'labeled pa-FPR' '[U-99% 13C; U-99% 15N]' 1 $assembly . . . . 1.2 . . mM . . . . 15788 2 2 'sodium phosphate buffer pH7' 'natural abundance' . . . . . . 50 . . mM . . . . 15788 2 stop_ save_ save_15N_labeled_pa-FPR _Sample.Sf_category sample _Sample.Sf_framecode 15N_labeled_pa-FPR _Sample.Entry_ID 15788 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'labeled pa-FPR' '[U-99% 15N]' 1 $assembly . . . . 1.2 . . mM . . . . 15788 3 2 'sodium phosphate buffer pH7' 'natural abundance' . . . . . . 50 . . mM . . . . 15788 3 stop_ save_ save_selective_labeled_pa-FPR _Sample.Sf_category sample _Sample.Sf_framecode selective_labeled_pa-FPR _Sample.Entry_ID 15788 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-Tyr, 15N-Phe,15N-Thr, 15N-Val, 15N-Phe and 15N-Gly selective labeled pa-FPR samples' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'labeled pa-FPR' [U-15N]-Leu 1 $assembly . . . . 1.2 . . mM . . . . 15788 4 2 'sodium phosphate buffer pH7' 'natural abundance' . . . . . . 50 . . mM . . . . 15788 4 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 15788 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 0.1 M 15788 1 pH 7 0.1 pH 15788 1 pressure 1 . atm 15788 1 temperature 298 0.1 K 15788 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15788 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15788 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15788 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15788 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15788 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15788 _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 Varian INOVA . 600 . . . 15788 1 2 spectrometer_2 Bruker Avance . 800 . . . 15788 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 15788 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 1 2 '3D HNCA' no . . . . . . . . . . 2 $13C_15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C_15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 1 4 '3D HNCO' no . . . . . . . . . . 1 $2H_13C_15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 1 5 '3D HNCA' no . . . . . . . . . . 1 $2H_13C_15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 1 6 '3D HNCACB' no . . . . . . . . . . 1 $2H_13C_15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $2H_13C_15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $2H_13C_15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 1 9 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 1 $2H_13C_15N_labeled_pa-FPR isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15788 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 15788 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; 1H chemical shifts were referenced to the proton resonance of DSS at 0 ppm, while 15N and 13C shifts were referenced indirectly using the ratios 0.101329118 and 0.251449530, respectively ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15788 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15788 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15788 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 15788 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15788 1 2 '3D HNCA' . . . 15788 1 3 '3D CBCA(CO)NH' . . . 15788 1 4 '3D HNCO' . . . 15788 1 5 '3D HNCA' . . . 15788 1 6 '3D HNCACB' . . . 15788 1 7 '3D CBCA(CO)NH' . . . 15788 1 8 '3D HN(CO)CA' . . . 15788 1 9 '3D (HCA)CO(CA)NH' . . . 15788 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15788 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 4 4 LEU H H 1 7.94 0.01 . 1 . . . . 3 LEU H . 15788 1 2 . 1 1 4 4 LEU C C 13 173.97 0.02 . 1 . . . . 3 LEU CO . 15788 1 3 . 1 1 4 4 LEU CA C 13 53.93 0.1 . 1 . . . . 3 LEU CA . 15788 1 4 . 1 1 4 4 LEU CB C 13 43.83 0.1 . 1 . . . . 3 LEU CB . 15788 1 5 . 1 1 4 4 LEU N N 15 119.4 0.02 . 1 . . . . 3 LEU N . 15788 1 6 . 1 1 5 5 TYR H H 1 9.35 0.01 . 1 . . . . 4 TYR H . 15788 1 7 . 1 1 5 5 TYR C C 13 175.72 0.02 . 1 . . . . 4 TYR CO . 15788 1 8 . 1 1 5 5 TYR CA C 13 57.07 0.1 . 1 . . . . 4 TYR CA . 15788 1 9 . 1 1 5 5 TYR CB C 13 39.37 0.1 . 1 . . . . 4 TYR CB . 15788 1 10 . 1 1 5 5 TYR N N 15 122.4 0.02 . 1 . . . . 4 TYR N . 15788 1 11 . 1 1 6 6 THR H H 1 8.58 0.01 . 1 . . . . 5 THR H . 15788 1 12 . 1 1 6 6 THR C C 13 177.44 0.02 . 1 . . . . 5 THR CO . 15788 1 13 . 1 1 6 6 THR CA C 13 61.86 0.1 . 1 . . . . 5 THR CA . 15788 1 14 . 1 1 6 6 THR CB C 13 69.54 0.1 . 1 . . . . 5 THR CB . 15788 1 15 . 1 1 6 6 THR N N 15 116.69 0.02 . 1 . . . . 5 THR N . 15788 1 16 . 1 1 7 7 GLU H H 1 9.13 0.01 . 1 . . . . 6 GLU H . 15788 1 17 . 1 1 7 7 GLU C C 13 176.67 0.02 . 1 . . . . 6 GLU CO . 15788 1 18 . 1 1 7 7 GLU CA C 13 52.96 0.1 . 1 . . . . 6 GLU CA . 15788 1 19 . 1 1 7 7 GLU CB C 13 31.04 0.1 . 1 . . . . 6 GLU CB . 15788 1 20 . 1 1 7 7 GLU N N 15 125.16 0.02 . 1 . . . . 6 GLU N . 15788 1 21 . 1 1 8 8 ARG H H 1 8.58 0.01 . 1 . . . . 7 ARG H . 15788 1 22 . 1 1 8 8 ARG C C 13 174.99 0.02 . 1 . . . . 7 ARG CO . 15788 1 23 . 1 1 8 8 ARG CA C 13 53.72 0.1 . 1 . . . . 7 ARG CA . 15788 1 24 . 1 1 8 8 ARG CB C 13 33.07 0.1 . 1 . . . . 7 ARG CB . 15788 1 25 . 1 1 8 8 ARG N N 15 118.1 0.02 . 1 . . . . 7 ARG N . 15788 1 26 . 1 1 9 9 VAL H H 1 9.04 0.01 . 1 . . . . 8 VAL H . 15788 1 27 . 1 1 9 9 VAL C C 13 174.63 0.02 . 1 . . . . 8 VAL CO . 15788 1 28 . 1 1 9 9 VAL CA C 13 63.69 0.1 . 1 . . . . 8 VAL CA . 15788 1 29 . 1 1 9 9 VAL CB C 13 31.58 0.1 . 1 . . . . 8 VAL CB . 15788 1 30 . 1 1 9 9 VAL N N 15 122.46 0.02 . 1 . . . . 8 VAL N . 15788 1 31 . 1 1 10 10 LEU H H 1 10.01 0.01 . 1 . . . . 9 LEU H . 15788 1 32 . 1 1 10 10 LEU C C 13 174.74 0.02 . 1 . . . . 9 LEU CO . 15788 1 33 . 1 1 10 10 LEU CA C 13 55.68 0.1 . 1 . . . . 9 LEU CA . 15788 1 34 . 1 1 10 10 LEU CB C 13 43.76 0.1 . 1 . . . . 9 LEU CB . 15788 1 35 . 1 1 10 10 LEU N N 15 130.79 0.02 . 1 . . . . 9 LEU N . 15788 1 36 . 1 1 11 11 SER H H 1 7.53 0.01 . 1 . . . . 10 SER H . 15788 1 37 . 1 1 11 11 SER C C 13 179.86 0.02 . 1 . . . . 10 SER CO . 15788 1 38 . 1 1 11 11 SER CA C 13 58.04 0.1 . 1 . . . . 10 SER CA . 15788 1 39 . 1 1 11 11 SER CB C 13 64.17 0.1 . 1 . . . . 10 SER CB . 15788 1 40 . 1 1 11 11 SER N N 15 110.21 0.02 . 1 . . . . 10 SER N . 15788 1 41 . 1 1 12 12 VAL H H 1 8.56 0.01 . 1 . . . . 11 VAL H . 15788 1 42 . 1 1 12 12 VAL C C 13 177.13 0.02 . 1 . . . . 11 VAL CO . 15788 1 43 . 1 1 12 12 VAL CA C 13 61.68 0.1 . 1 . . . . 11 VAL CA . 15788 1 44 . 1 1 12 12 VAL CB C 13 35.57 0.1 . 1 . . . . 11 VAL CB . 15788 1 45 . 1 1 12 12 VAL N N 15 119.92 0.02 . 1 . . . . 11 VAL N . 15788 1 46 . 1 1 13 13 HIS H H 1 9.28 0.01 . 1 . . . . 12 HIS H . 15788 1 47 . 1 1 13 13 HIS C C 13 178.17 0.02 . 1 . . . . 12 HIS CO . 15788 1 48 . 1 1 13 13 HIS CA C 13 56.06 0.1 . 1 . . . . 12 HIS CA . 15788 1 49 . 1 1 13 13 HIS CB C 13 33.79 0.1 . 1 . . . . 12 HIS CB . 15788 1 50 . 1 1 13 13 HIS N N 15 126.77 0.02 . 1 . . . . 12 HIS N . 15788 1 51 . 1 1 14 14 HIS H H 1 8.56 0.01 . 1 . . . . 13 HIS H . 15788 1 52 . 1 1 14 14 HIS C C 13 177.1 0.02 . 1 . . . . 13 HIS CO . 15788 1 53 . 1 1 14 14 HIS CA C 13 55.93 0.1 . 1 . . . . 13 HIS CA . 15788 1 54 . 1 1 14 14 HIS CB C 13 30.95 0.1 . 1 . . . . 13 HIS CB . 15788 1 55 . 1 1 14 14 HIS N N 15 126.93 0.02 . 1 . . . . 13 HIS N . 15788 1 56 . 1 1 15 15 TRP H H 1 8.29 0.01 . 1 . . . . 14 TRP H . 15788 1 57 . 1 1 15 15 TRP C C 13 174.92 0.02 . 1 . . . . 14 TRP CO . 15788 1 58 . 1 1 15 15 TRP CA C 13 58.33 0.1 . 1 . . . . 14 TRP CA . 15788 1 59 . 1 1 15 15 TRP CB C 13 29.45 0.1 . 1 . . . . 14 TRP CB . 15788 1 60 . 1 1 15 15 TRP N N 15 126.2 0.02 . 1 . . . . 14 TRP N . 15788 1 61 . 1 1 16 16 ASN H H 1 8.5 0.01 . 1 . . . . 15 ASN H . 15788 1 62 . 1 1 16 16 ASN C C 13 176.44 0.02 . 1 . . . . 15 ASN CO . 15788 1 63 . 1 1 16 16 ASN CA C 13 52.81 0.1 . 1 . . . . 15 ASN CA . 15788 1 64 . 1 1 16 16 ASN CB C 13 36.32 0.1 . 1 . . . . 15 ASN CB . 15788 1 65 . 1 1 16 16 ASN N N 15 115.8 0.02 . 1 . . . . 15 ASN N . 15788 1 66 . 1 1 18 18 THR H H 1 8.28 0.01 . 1 . . . . 17 THR H . 15788 1 67 . 1 1 18 18 THR C C 13 178.78 0.02 . 1 . . . . 17 THR CO . 15788 1 68 . 1 1 18 18 THR CA C 13 62.24 0.1 . 1 . . . . 17 THR CA . 15788 1 69 . 1 1 18 18 THR CB C 13 70.5 0.1 . 1 . . . . 17 THR CB . 15788 1 70 . 1 1 18 18 THR N N 15 108.3 0.02 . 1 . . . . 17 THR N . 15788 1 71 . 1 1 19 19 LEU H H 1 7.83 0.01 . 1 . . . . 18 LEU H . 15788 1 72 . 1 1 19 19 LEU C C 13 174.64 0.02 . 1 . . . . 18 LEU CO . 15788 1 73 . 1 1 19 19 LEU CA C 13 54.03 0.1 . 1 . . . . 18 LEU CA . 15788 1 74 . 1 1 19 19 LEU CB C 13 47.75 0.1 . 1 . . . . 18 LEU CB . 15788 1 75 . 1 1 19 19 LEU N N 15 120.81 0.02 . 1 . . . . 18 LEU N . 15788 1 76 . 1 1 20 20 PHE H H 1 10.52 0.01 . 1 . . . . 19 PHE H . 15788 1 77 . 1 1 20 20 PHE C C 13 180.78 0.02 . 1 . . . . 19 PHE CO . 15788 1 78 . 1 1 20 20 PHE CA C 13 56.19 0.1 . 1 . . . . 19 PHE CA . 15788 1 79 . 1 1 20 20 PHE CB C 13 41.64 0.1 . 1 . . . . 19 PHE CB . 15788 1 80 . 1 1 20 20 PHE N N 15 122.37 0.02 . 1 . . . . 19 PHE N . 15788 1 81 . 1 1 21 21 SER H H 1 9.58 0.01 . 1 . . . . 20 SER H . 15788 1 82 . 1 1 21 21 SER C C 13 179.33 0.02 . 1 . . . . 20 SER CO . 15788 1 83 . 1 1 21 21 SER CA C 13 57.69 0.1 . 1 . . . . 20 SER CA . 15788 1 84 . 1 1 21 21 SER CB C 13 67.42 0.1 . 1 . . . . 20 SER CB . 15788 1 85 . 1 1 21 21 SER N N 15 115.99 0.02 . 1 . . . . 20 SER N . 15788 1 86 . 1 1 22 22 PHE H H 1 8.69 0.01 . 1 . . . . 21 PHE H . 15788 1 87 . 1 1 22 22 PHE C C 13 179.16 0.02 . 1 . . . . 21 PHE CO . 15788 1 88 . 1 1 22 22 PHE CA C 13 55.47 0.1 . 1 . . . . 21 PHE CA . 15788 1 89 . 1 1 22 22 PHE CB C 13 40.93 0.1 . 1 . . . . 21 PHE CB . 15788 1 90 . 1 1 22 22 PHE N N 15 116.76 0.02 . 1 . . . . 21 PHE N . 15788 1 91 . 1 1 23 23 LYS H H 1 8.41 0.01 . 1 . . . . 22 LYS H . 15788 1 92 . 1 1 23 23 LYS C C 13 174.25 0.02 . 1 . . . . 22 LYS CO . 15788 1 93 . 1 1 23 23 LYS CA C 13 53.64 0.1 . 1 . . . . 22 LYS CA . 15788 1 94 . 1 1 23 23 LYS CB C 13 36.4 0.1 . 1 . . . . 22 LYS CB . 15788 1 95 . 1 1 23 23 LYS N N 15 117.66 0.02 . 1 . . . . 22 LYS N . 15788 1 96 . 1 1 24 24 THR H H 1 9.72 0.01 . 1 . . . . 23 THR H . 15788 1 97 . 1 1 24 24 THR C C 13 177.07 0.02 . 1 . . . . 23 THR CO . 15788 1 98 . 1 1 24 24 THR CA C 13 60.17 0.1 . 1 . . . . 23 THR CA . 15788 1 99 . 1 1 24 24 THR CB C 13 72.35 0.1 . 1 . . . . 23 THR CB . 15788 1 100 . 1 1 24 24 THR N N 15 114.02 0.02 . 1 . . . . 23 THR N . 15788 1 101 . 1 1 25 25 THR H H 1 8.73 0.01 . 1 . . . . 24 THR H . 15788 1 102 . 1 1 25 25 THR C C 13 179.52 0.02 . 1 . . . . 24 THR CO . 15788 1 103 . 1 1 25 25 THR CA C 13 63.02 0.1 . 1 . . . . 24 THR CA . 15788 1 104 . 1 1 25 25 THR CB C 13 70.95 0.1 . 1 . . . . 24 THR CB . 15788 1 105 . 1 1 25 25 THR N N 15 109.6 0.02 . 1 . . . . 24 THR N . 15788 1 106 . 1 1 26 26 ARG H H 1 8.03 0.01 . 1 . . . . 25 ARG H . 15788 1 107 . 1 1 26 26 ARG C C 13 176.91 0.02 . 1 . . . . 25 ARG CO . 15788 1 108 . 1 1 26 26 ARG CA C 13 53.65 0.1 . 1 . . . . 25 ARG CA . 15788 1 109 . 1 1 26 26 ARG CB C 13 34.48 0.1 . 1 . . . . 25 ARG CB . 15788 1 110 . 1 1 26 26 ARG N N 15 117.86 0.02 . 1 . . . . 25 ARG N . 15788 1 111 . 1 1 28 28 PRO C C 13 173.91 0.02 . 1 . . . . 27 PRO CO . 15788 1 112 . 1 1 28 28 PRO CA C 13 64.35 0.1 . 1 . . . . 27 PRO CA . 15788 1 113 . 1 1 28 28 PRO CB C 13 31.52 0.1 . 1 . . . . 27 PRO CB . 15788 1 114 . 1 1 29 29 GLY H H 1 9.17 0.01 . 1 . . . . 28 GLY H . 15788 1 115 . 1 1 29 29 GLY C C 13 177.07 0.02 . 1 . . . . 28 GLY CO . 15788 1 116 . 1 1 29 29 GLY CA C 13 44.96 0.1 . 1 . . . . 28 GLY CA . 15788 1 117 . 1 1 29 29 GLY N N 15 105 0.02 . 1 . . . . 28 GLY N . 15788 1 118 . 1 1 30 30 LEU H H 1 8.02 0.01 . 1 . . . . 29 LEU H . 15788 1 119 . 1 1 30 30 LEU C C 13 176.92 0.02 . 1 . . . . 29 LEU CO . 15788 1 120 . 1 1 30 30 LEU CA C 13 54.5 0.1 . 1 . . . . 29 LEU CA . 15788 1 121 . 1 1 30 30 LEU CB C 13 39.86 0.1 . 1 . . . . 29 LEU CB . 15788 1 122 . 1 1 30 30 LEU N N 15 123.53 0.02 . 1 . . . . 29 LEU N . 15788 1 123 . 1 1 31 31 ARG H H 1 8.42 0.01 . 1 . . . . 30 ARG H . 15788 1 124 . 1 1 31 31 ARG C C 13 177.01 0.02 . 1 . . . . 30 ARG CO . 15788 1 125 . 1 1 31 31 ARG CA C 13 54.65 0.1 . 1 . . . . 30 ARG CA . 15788 1 126 . 1 1 31 31 ARG CB C 13 30.74 0.1 . 1 . . . . 30 ARG CB . 15788 1 127 . 1 1 31 31 ARG N N 15 128.92 0.02 . 1 . . . . 30 ARG N . 15788 1 128 . 1 1 32 32 PHE H H 1 7.69 0.01 . 1 . . . . 31 PHE H . 15788 1 129 . 1 1 32 32 PHE C C 13 178.32 0.02 . 1 . . . . 31 PHE CO . 15788 1 130 . 1 1 32 32 PHE CA C 13 55.57 0.1 . 1 . . . . 31 PHE CA . 15788 1 131 . 1 1 32 32 PHE CB C 13 41.15 0.1 . 1 . . . . 31 PHE CB . 15788 1 132 . 1 1 32 32 PHE N N 15 116.52 0.02 . 1 . . . . 31 PHE N . 15788 1 133 . 1 1 33 33 LYS H H 1 8.44 0.01 . 1 . . . . 32 LYS H . 15788 1 134 . 1 1 33 33 LYS C C 13 176.56 0.02 . 1 . . . . 32 LYS CO . 15788 1 135 . 1 1 33 33 LYS CA C 13 54.46 0.1 . 1 . . . . 32 LYS CA . 15788 1 136 . 1 1 33 33 LYS CB C 13 33.03 0.1 . 1 . . . . 32 LYS CB . 15788 1 137 . 1 1 33 33 LYS N N 15 120.43 0.02 . 1 . . . . 32 LYS N . 15788 1 138 . 1 1 34 34 THR H H 1 8.15 0.01 . 1 . . . . 33 THR H . 15788 1 139 . 1 1 34 34 THR C C 13 178.35 0.02 . 1 . . . . 33 THR CO . 15788 1 140 . 1 1 34 34 THR CA C 13 64.4 0.1 . 1 . . . . 33 THR CA . 15788 1 141 . 1 1 34 34 THR CB C 13 69.18 0.1 . 1 . . . . 33 THR CB . 15788 1 142 . 1 1 34 34 THR N N 15 119.23 0.02 . 1 . . . . 33 THR N . 15788 1 143 . 1 1 35 35 GLY H H 1 8.71 0.01 . 1 . . . . 34 GLY H . 15788 1 144 . 1 1 35 35 GLY C C 13 174.78 0.02 . 1 . . . . 34 GLY CO . 15788 1 145 . 1 1 35 35 GLY CA C 13 45.5 0.1 . 1 . . . . 34 GLY CA . 15788 1 146 . 1 1 35 35 GLY N N 15 116.24 0.02 . 1 . . . . 34 GLY N . 15788 1 147 . 1 1 36 36 GLN H H 1 7.89 0.01 . 1 . . . . 35 GLN H . 15788 1 148 . 1 1 36 36 GLN C C 13 176.92 0.02 . 1 . . . . 35 GLN CO . 15788 1 149 . 1 1 36 36 GLN CA C 13 57.48 0.1 . 1 . . . . 35 GLN CA . 15788 1 150 . 1 1 36 36 GLN CB C 13 31.01 0.1 . 1 . . . . 35 GLN CB . 15788 1 151 . 1 1 36 36 GLN N N 15 116.49 0.02 . 1 . . . . 35 GLN N . 15788 1 152 . 1 1 37 37 PHE H H 1 9.15 0.01 . 1 . . . . 36 PHE H . 15788 1 153 . 1 1 37 37 PHE C C 13 178.02 0.02 . 1 . . . . 36 PHE CO . 15788 1 154 . 1 1 37 37 PHE CA C 13 55.35 0.1 . 1 . . . . 36 PHE CA . 15788 1 155 . 1 1 37 37 PHE CB C 13 41.26 0.1 . 1 . . . . 36 PHE CB . 15788 1 156 . 1 1 37 37 PHE N N 15 115.07 0.02 . 1 . . . . 36 PHE N . 15788 1 157 . 1 1 38 38 VAL H H 1 8.83 0.01 . 1 . . . . 37 VAL H . 15788 1 158 . 1 1 38 38 VAL C C 13 178.02 0.02 . 1 . . . . 37 VAL CO . 15788 1 159 . 1 1 38 38 VAL CA C 13 58.97 0.1 . 1 . . . . 37 VAL CA . 15788 1 160 . 1 1 38 38 VAL CB C 13 35.6 0.1 . 1 . . . . 37 VAL CB . 15788 1 161 . 1 1 38 38 VAL N N 15 114.98 0.02 . 1 . . . . 37 VAL N . 15788 1 162 . 1 1 39 39 MET H H 1 7.93 0.01 . 1 . . . . 38 MET H . 15788 1 163 . 1 1 39 39 MET C C 13 175.99 0.02 . 1 . . . . 38 MET CO . 15788 1 164 . 1 1 39 39 MET CA C 13 53.55 0.1 . 1 . . . . 38 MET CA . 15788 1 165 . 1 1 39 39 MET CB C 13 31.71 0.1 . 1 . . . . 38 MET CB . 15788 1 166 . 1 1 39 39 MET N N 15 118.22 0.02 . 1 . . . . 38 MET N . 15788 1 167 . 1 1 40 40 ILE H H 1 8.88 0.01 . 1 . . . . 39 ILE H . 15788 1 168 . 1 1 40 40 ILE C C 13 176.51 0.02 . 1 . . . . 39 ILE CO . 15788 1 169 . 1 1 40 40 ILE CA C 13 58.72 0.1 . 1 . . . . 39 ILE CA . 15788 1 170 . 1 1 40 40 ILE CB C 13 41.24 0.1 . 1 . . . . 39 ILE CB . 15788 1 171 . 1 1 40 40 ILE N N 15 115.46 0.02 . 1 . . . . 39 ILE N . 15788 1 172 . 1 1 41 41 GLY H H 1 8.36 0.01 . 1 . . . . 40 GLY H . 15788 1 173 . 1 1 41 41 GLY C C 13 180.72 0.02 . 1 . . . . 40 GLY CO . 15788 1 174 . 1 1 41 41 GLY CA C 13 46.93 0.1 . 1 . . . . 40 GLY CA . 15788 1 175 . 1 1 41 41 GLY N N 15 104.55 0.02 . 1 . . . . 40 GLY N . 15788 1 176 . 1 1 42 42 LEU H H 1 7.34 0.01 . 1 . . . . 41 LEU H . 15788 1 177 . 1 1 42 42 LEU C C 13 175.92 0.02 . 1 . . . . 41 LEU CO . 15788 1 178 . 1 1 42 42 LEU CA C 13 52.01 0.1 . 1 . . . . 41 LEU CA . 15788 1 179 . 1 1 42 42 LEU CB C 13 46.02 0.1 . 1 . . . . 41 LEU CB . 15788 1 180 . 1 1 42 42 LEU N N 15 115.36 0.02 . 1 . . . . 41 LEU N . 15788 1 181 . 1 1 43 43 GLU H H 1 8.69 0.01 . 1 . . . . 42 GLU H . 15788 1 182 . 1 1 43 43 GLU C C 13 176.12 0.02 . 1 . . . . 42 GLU CO . 15788 1 183 . 1 1 43 43 GLU CA C 13 56.68 0.1 . 1 . . . . 42 GLU CA . 15788 1 184 . 1 1 43 43 GLU CB C 13 29.48 0.1 . 1 . . . . 42 GLU CB . 15788 1 185 . 1 1 43 43 GLU N N 15 121.27 0.02 . 1 . . . . 42 GLU N . 15788 1 186 . 1 1 44 44 VAL H H 1 8.75 0.01 . 1 . . . . 43 VAL H . 15788 1 187 . 1 1 44 44 VAL C C 13 176.09 0.02 . 1 . . . . 43 VAL CO . 15788 1 188 . 1 1 44 44 VAL CA C 13 61.87 0.1 . 1 . . . . 43 VAL CA . 15788 1 189 . 1 1 44 44 VAL CB C 13 34.22 0.1 . 1 . . . . 43 VAL CB . 15788 1 190 . 1 1 44 44 VAL N N 15 128.47 0.02 . 1 . . . . 43 VAL N . 15788 1 191 . 1 1 45 45 ASP H H 1 9.36 0.01 . 1 . . . . 44 ASP H . 15788 1 192 . 1 1 45 45 ASP C C 13 175.19 0.02 . 1 . . . . 44 ASP CO . 15788 1 193 . 1 1 45 45 ASP CA C 13 55.47 0.1 . 1 . . . . 44 ASP CA . 15788 1 194 . 1 1 45 45 ASP CB C 13 39.33 0.1 . 1 . . . . 44 ASP CB . 15788 1 195 . 1 1 45 45 ASP N N 15 127.76 0.02 . 1 . . . . 44 ASP N . 15788 1 196 . 1 1 46 46 GLY H H 1 8.6 0.01 . 1 . . . . 45 GLY H . 15788 1 197 . 1 1 46 46 GLY C C 13 177.77 0.02 . 1 . . . . 45 GLY CO . 15788 1 198 . 1 1 46 46 GLY CA C 13 45.24 0.1 . 1 . . . . 45 GLY CA . 15788 1 199 . 1 1 46 46 GLY N N 15 102.11 0.02 . 1 . . . . 45 GLY N . 15788 1 200 . 1 1 47 47 ARG H H 1 7.95 0.01 . 1 . . . . 46 ARG H . 15788 1 201 . 1 1 47 47 ARG C C 13 177.93 0.02 . 1 . . . . 46 ARG CO . 15788 1 202 . 1 1 47 47 ARG CA C 13 52.08 0.1 . 1 . . . . 46 ARG CA . 15788 1 203 . 1 1 47 47 ARG CB C 13 30.58 0.1 . 1 . . . . 46 ARG CB . 15788 1 204 . 1 1 47 47 ARG N N 15 122.43 0.02 . 1 . . . . 46 ARG N . 15788 1 205 . 1 1 48 48 PRO C C 13 175.98 0.02 . 1 . . . . 47 PRO CO . 15788 1 206 . 1 1 48 48 PRO CA C 13 63.37 0.1 . 1 . . . . 47 PRO CA . 15788 1 207 . 1 1 48 48 PRO CB C 13 31.5 0.1 . 1 . . . . 47 PRO CB . 15788 1 208 . 1 1 49 49 LEU H H 1 9.06 0.01 . 1 . . . . 48 LEU H . 15788 1 209 . 1 1 49 49 LEU C C 13 178 0.02 . 1 . . . . 48 LEU CO . 15788 1 210 . 1 1 49 49 LEU CA C 13 55.21 0.1 . 1 . . . . 48 LEU CA . 15788 1 211 . 1 1 49 49 LEU CB C 13 41.69 0.1 . 1 . . . . 48 LEU CB . 15788 1 212 . 1 1 49 49 LEU N N 15 133 0.02 . 1 . . . . 48 LEU N . 15788 1 213 . 1 1 50 50 MET H H 1 8.01 0.01 . 1 . . . . 49 MET H . 15788 1 214 . 1 1 50 50 MET C C 13 174.1 0.02 . 1 . . . . 49 MET CO . 15788 1 215 . 1 1 50 50 MET CA C 13 52.04 0.1 . 1 . . . . 49 MET CA . 15788 1 216 . 1 1 50 50 MET CB C 13 33.96 0.1 . 1 . . . . 49 MET CB . 15788 1 217 . 1 1 50 50 MET N N 15 119.55 0.02 . 1 . . . . 49 MET N . 15788 1 218 . 1 1 51 51 ARG H H 1 9.73 0.01 . 1 . . . . 50 ARG H . 15788 1 219 . 1 1 51 51 ARG C C 13 176.55 0.02 . 1 . . . . 50 ARG CO . 15788 1 220 . 1 1 51 51 ARG CA C 13 52.82 0.1 . 1 . . . . 50 ARG CA . 15788 1 221 . 1 1 51 51 ARG CB C 13 33.88 0.1 . 1 . . . . 50 ARG CB . 15788 1 222 . 1 1 51 51 ARG N N 15 121.07 0.02 . 1 . . . . 50 ARG N . 15788 1 223 . 1 1 52 52 ALA H H 1 7.77 0.01 . 1 . . . . 51 ALA H . 15788 1 224 . 1 1 52 52 ALA C C 13 175.6 0.02 . 1 . . . . 51 ALA CO . 15788 1 225 . 1 1 52 52 ALA CA C 13 52.82 0.1 . 1 . . . . 51 ALA CA . 15788 1 226 . 1 1 52 52 ALA CB C 13 18.3 0.1 . 1 . . . . 51 ALA CB . 15788 1 227 . 1 1 52 52 ALA N N 15 124.4 0.02 . 1 . . . . 51 ALA N . 15788 1 228 . 1 1 53 53 TYR H H 1 9.25 0.01 . 1 . . . . 52 TYR H . 15788 1 229 . 1 1 53 53 TYR C C 13 176.26 0.02 . 1 . . . . 52 TYR CO . 15788 1 230 . 1 1 53 53 TYR CA C 13 57.41 0.1 . 1 . . . . 52 TYR CA . 15788 1 231 . 1 1 53 53 TYR CB C 13 43.46 0.1 . 1 . . . . 52 TYR CB . 15788 1 232 . 1 1 53 53 TYR N N 15 122.37 0.02 . 1 . . . . 52 TYR N . 15788 1 233 . 1 1 54 54 SER H H 1 8.84 0.01 . 1 . . . . 53 SER H . 15788 1 234 . 1 1 54 54 SER C C 13 178.75 0.02 . 1 . . . . 53 SER CO . 15788 1 235 . 1 1 54 54 SER CA C 13 60.67 0.1 . 1 . . . . 53 SER CA . 15788 1 236 . 1 1 54 54 SER CB C 13 64.09 0.1 . 1 . . . . 53 SER CB . 15788 1 237 . 1 1 54 54 SER N N 15 122 0.02 . 1 . . . . 53 SER N . 15788 1 238 . 1 1 55 55 ILE H H 1 7.83 0.01 . 1 . . . . 54 ILE H . 15788 1 239 . 1 1 55 55 ILE C C 13 176.34 0.02 . 1 . . . . 54 ILE CO . 15788 1 240 . 1 1 55 55 ILE CA C 13 63.01 0.1 . 1 . . . . 54 ILE CA . 15788 1 241 . 1 1 55 55 ILE CB C 13 36.47 0.1 . 1 . . . . 54 ILE CB . 15788 1 242 . 1 1 55 55 ILE N N 15 123.91 0.02 . 1 . . . . 54 ILE N . 15788 1 243 . 1 1 56 56 ALA H H 1 7.98 0.01 . 1 . . . . 55 ALA H . 15788 1 244 . 1 1 56 56 ALA C C 13 175.7 0.02 . 1 . . . . 55 ALA CO . 15788 1 245 . 1 1 56 56 ALA CA C 13 51.68 0.1 . 1 . . . . 55 ALA CA . 15788 1 246 . 1 1 56 56 ALA CB C 13 19.01 0.1 . 1 . . . . 55 ALA CB . 15788 1 247 . 1 1 56 56 ALA N N 15 129.05 0.02 . 1 . . . . 55 ALA N . 15788 1 248 . 1 1 57 57 SER H H 1 7.24 0.01 . 1 . . . . 56 SER H . 15788 1 249 . 1 1 57 57 SER C C 13 178.39 0.02 . 1 . . . . 56 SER CO . 15788 1 250 . 1 1 57 57 SER CA C 13 53.61 0.1 . 1 . . . . 56 SER CA . 15788 1 251 . 1 1 57 57 SER CB C 13 61.86 0.1 . 1 . . . . 56 SER CB . 15788 1 252 . 1 1 57 57 SER N N 15 108.2 0.02 . 1 . . . . 56 SER N . 15788 1 253 . 1 1 58 58 PRO C C 13 171.6 0.02 . 1 . . . . 57 PRO CO . 15788 1 254 . 1 1 58 58 PRO CA C 13 60.89 0.1 . 1 . . . . 57 PRO CA . 15788 1 255 . 1 1 58 58 PRO CB C 13 31.55 0.1 . 1 . . . . 57 PRO CB . 15788 1 256 . 1 1 59 59 ASN H H 1 9.43 0.01 . 1 . . . . 58 ASN H . 15788 1 257 . 1 1 59 59 ASN C C 13 175.27 0.02 . 1 . . . . 58 ASN CO . 15788 1 258 . 1 1 59 59 ASN CA C 13 55.11 0.1 . 1 . . . . 58 ASN CA . 15788 1 259 . 1 1 59 59 ASN CB C 13 35.98 0.1 . 1 . . . . 58 ASN CB . 15788 1 260 . 1 1 59 59 ASN N N 15 122.01 0.02 . 1 . . . . 58 ASN N . 15788 1 261 . 1 1 60 60 TYR H H 1 6.46 0.01 . 1 . . . . 59 TYR H . 15788 1 262 . 1 1 60 60 TYR C C 13 175.28 0.02 . 1 . . . . 59 TYR CO . 15788 1 263 . 1 1 60 60 TYR CA C 13 55.18 0.1 . 1 . . . . 59 TYR CA . 15788 1 264 . 1 1 60 60 TYR CB C 13 37.53 0.1 . 1 . . . . 59 TYR CB . 15788 1 265 . 1 1 60 60 TYR N N 15 114.26 0.02 . 1 . . . . 59 TYR N . 15788 1 266 . 1 1 61 61 GLU H H 1 6.83 0.01 . 1 . . . . 60 GLU H . 15788 1 267 . 1 1 61 61 GLU C C 13 174.64 0.02 . 1 . . . . 60 GLU CO . 15788 1 268 . 1 1 61 61 GLU CA C 13 55.78 0.1 . 1 . . . . 60 GLU CA . 15788 1 269 . 1 1 61 61 GLU CB C 13 30.07 0.1 . 1 . . . . 60 GLU CB . 15788 1 270 . 1 1 61 61 GLU N N 15 121.98 0.02 . 1 . . . . 60 GLU N . 15788 1 271 . 1 1 62 62 GLU H H 1 8.9 0.01 . 1 . . . . 61 GLU H . 15788 1 272 . 1 1 62 62 GLU C C 13 177.33 0.02 . 1 . . . . 61 GLU CO . 15788 1 273 . 1 1 62 62 GLU CA C 13 56.02 0.1 . 1 . . . . 61 GLU CA . 15788 1 274 . 1 1 62 62 GLU CB C 13 28.21 0.1 . 1 . . . . 61 GLU CB . 15788 1 275 . 1 1 62 62 GLU N N 15 121.95 0.02 . 1 . . . . 61 GLU N . 15788 1 276 . 1 1 63 63 HIS H H 1 7.3 0.01 . 1 . . . . 62 HIS H . 15788 1 277 . 1 1 63 63 HIS C C 13 179 0.02 . 1 . . . . 62 HIS CO . 15788 1 278 . 1 1 63 63 HIS CA C 13 55.25 0.1 . 1 . . . . 62 HIS CA . 15788 1 279 . 1 1 63 63 HIS CB C 13 32.29 0.1 . 1 . . . . 62 HIS CB . 15788 1 280 . 1 1 63 63 HIS N N 15 115.43 0.02 . 1 . . . . 62 HIS N . 15788 1 281 . 1 1 64 64 LEU H H 1 8.77 0.01 . 1 . . . . 63 LEU H . 15788 1 282 . 1 1 64 64 LEU C C 13 176.08 0.02 . 1 . . . . 63 LEU CO . 15788 1 283 . 1 1 64 64 LEU CA C 13 53.4 0.1 . 1 . . . . 63 LEU CA . 15788 1 284 . 1 1 64 64 LEU CB C 13 43.92 0.1 . 1 . . . . 63 LEU CB . 15788 1 285 . 1 1 64 64 LEU N N 15 118.57 0.02 . 1 . . . . 63 LEU N . 15788 1 286 . 1 1 65 65 GLU H H 1 7.13 0.01 . 1 . . . . 64 GLU H . 15788 1 287 . 1 1 65 65 GLU C C 13 180.75 0.02 . 1 . . . . 64 GLU CO . 15788 1 288 . 1 1 65 65 GLU CA C 13 53.94 0.1 . 1 . . . . 64 GLU CA . 15788 1 289 . 1 1 65 65 GLU CB C 13 33.21 0.1 . 1 . . . . 64 GLU CB . 15788 1 290 . 1 1 65 65 GLU N N 15 119.7 0.02 . 1 . . . . 64 GLU N . 15788 1 291 . 1 1 66 66 PHE H H 1 8.21 0.01 . 1 . . . . 65 PHE H . 15788 1 292 . 1 1 66 66 PHE C C 13 179 0.02 . 1 . . . . 65 PHE CO . 15788 1 293 . 1 1 66 66 PHE CA C 13 56.36 0.1 . 1 . . . . 65 PHE CA . 15788 1 294 . 1 1 66 66 PHE CB C 13 41.83 0.1 . 1 . . . . 65 PHE CB . 15788 1 295 . 1 1 66 66 PHE N N 15 121.18 0.02 . 1 . . . . 65 PHE N . 15788 1 296 . 1 1 67 67 PHE H H 1 10.51 0.01 . 1 . . . . 66 PHE H . 15788 1 297 . 1 1 67 67 PHE C C 13 178.05 0.02 . 1 . . . . 66 PHE CO . 15788 1 298 . 1 1 67 67 PHE CA C 13 53.96 0.1 . 1 . . . . 66 PHE CA . 15788 1 299 . 1 1 67 67 PHE CB C 13 40.08 0.1 . 1 . . . . 66 PHE CB . 15788 1 300 . 1 1 67 67 PHE N N 15 125.09 0.02 . 1 . . . . 66 PHE N . 15788 1 301 . 1 1 68 68 SER H H 1 9.9 0.01 . 1 . . . . 67 SER H . 15788 1 302 . 1 1 68 68 SER C C 13 178.52 0.02 . 1 . . . . 67 SER CO . 15788 1 303 . 1 1 68 68 SER CA C 13 55.81 0.1 . 1 . . . . 67 SER CA . 15788 1 304 . 1 1 68 68 SER CB C 13 65.91 0.1 . 1 . . . . 67 SER CB . 15788 1 305 . 1 1 68 68 SER N N 15 119.5 0.02 . 1 . . . . 67 SER N . 15788 1 306 . 1 1 69 69 ILE H H 1 8.81 0.01 . 1 . . . . 68 ILE H . 15788 1 307 . 1 1 69 69 ILE C C 13 176.38 0.02 . 1 . . . . 68 ILE CO . 15788 1 308 . 1 1 69 69 ILE CA C 13 57.36 0.1 . 1 . . . . 68 ILE CA . 15788 1 309 . 1 1 69 69 ILE CB C 13 40.79 0.1 . 1 . . . . 68 ILE CB . 15788 1 310 . 1 1 69 69 ILE N N 15 127.99 0.02 . 1 . . . . 68 ILE N . 15788 1 311 . 1 1 70 70 LYS H H 1 7.59 0.01 . 1 . . . . 69 LYS H . 15788 1 312 . 1 1 70 70 LYS C C 13 176.69 0.02 . 1 . . . . 69 LYS CO . 15788 1 313 . 1 1 70 70 LYS CA C 13 56.47 0.1 . 1 . . . . 69 LYS CA . 15788 1 314 . 1 1 70 70 LYS CB C 13 32.56 0.1 . 1 . . . . 69 LYS CB . 15788 1 315 . 1 1 70 70 LYS N N 15 121.81 0.02 . 1 . . . . 69 LYS N . 15788 1 316 . 1 1 71 71 VAL H H 1 8.18 0.01 . 1 . . . . 70 VAL H . 15788 1 317 . 1 1 71 71 VAL C C 13 175.33 0.02 . 1 . . . . 70 VAL CO . 15788 1 318 . 1 1 71 71 VAL CA C 13 59.46 0.1 . 1 . . . . 70 VAL CA . 15788 1 319 . 1 1 71 71 VAL N N 15 127.48 0.02 . 1 . . . . 70 VAL N . 15788 1 320 . 1 1 72 72 PRO C C 13 175.17 0.02 . 1 . . . . 71 PRO CO . 15788 1 321 . 1 1 73 73 ASP H H 1 8.54 0.01 . 1 . . . . 72 ASP H . 15788 1 322 . 1 1 73 73 ASP C C 13 174.92 0.02 . 1 . . . . 72 ASP CO . 15788 1 323 . 1 1 73 73 ASP CA C 13 53.17 0.1 . 1 . . . . 72 ASP CA . 15788 1 324 . 1 1 73 73 ASP CB C 13 39.76 0.1 . 1 . . . . 72 ASP CB . 15788 1 325 . 1 1 73 73 ASP N N 15 118.23 0.02 . 1 . . . . 72 ASP N . 15788 1 326 . 1 1 74 74 GLY H H 1 8.23 0.01 . 1 . . . . 73 GLY H . 15788 1 327 . 1 1 74 74 GLY C C 13 177.92 0.02 . 1 . . . . 73 GLY CO . 15788 1 328 . 1 1 74 74 GLY CA C 13 44.59 0.1 . 1 . . . . 73 GLY CA . 15788 1 329 . 1 1 74 74 GLY N N 15 113.61 0.02 . 1 . . . . 73 GLY N . 15788 1 330 . 1 1 75 75 PRO C C 13 174.38 0.02 . 1 . . . . 74 PRO CO . 15788 1 331 . 1 1 75 75 PRO CA C 13 66.36 0.1 . 1 . . . . 74 PRO CA . 15788 1 332 . 1 1 75 75 PRO CB C 13 32.5 0.1 . 1 . . . . 74 PRO CB . 15788 1 333 . 1 1 76 76 LEU H H 1 9.91 0.01 . 1 . . . . 75 LEU H . 15788 1 334 . 1 1 76 76 LEU C C 13 170.22 0.02 . 1 . . . . 75 LEU CO . 15788 1 335 . 1 1 76 76 LEU CA C 13 57.17 0.1 . 1 . . . . 75 LEU CA . 15788 1 336 . 1 1 76 76 LEU CB C 13 41.72 0.1 . 1 . . . . 75 LEU CB . 15788 1 337 . 1 1 76 76 LEU N N 15 114.42 0.02 . 1 . . . . 75 LEU N . 15788 1 338 . 1 1 77 77 THR H H 1 10.13 0.01 . 1 . . . . 76 THR H . 15788 1 339 . 1 1 77 77 THR C C 13 173.77 0.02 . 1 . . . . 76 THR CO . 15788 1 340 . 1 1 77 77 THR CA C 13 67.41 0.1 . 1 . . . . 76 THR CA . 15788 1 341 . 1 1 77 77 THR CB C 13 70.38 0.1 . 1 . . . . 76 THR CB . 15788 1 342 . 1 1 77 77 THR N N 15 114.34 0.02 . 1 . . . . 76 THR N . 15788 1 343 . 1 1 78 78 SER H H 1 8.77 0.01 . 1 . . . . 77 SER H . 15788 1 344 . 1 1 78 78 SER C C 13 175.59 0.02 . 1 . . . . 77 SER CO . 15788 1 345 . 1 1 78 78 SER CA C 13 61.45 0.1 . 1 . . . . 77 SER CA . 15788 1 346 . 1 1 78 78 SER CB C 13 62.74 0.1 . 1 . . . . 77 SER CB . 15788 1 347 . 1 1 78 78 SER N N 15 118.45 0.02 . 1 . . . . 77 SER N . 15788 1 348 . 1 1 79 79 ARG H H 1 7.13 0.01 . 1 . . . . 78 ARG H . 15788 1 349 . 1 1 79 79 ARG C C 13 172.28 0.02 . 1 . . . . 78 ARG CO . 15788 1 350 . 1 1 79 79 ARG CA C 13 57.52 0.1 . 1 . . . . 78 ARG CA . 15788 1 351 . 1 1 79 79 ARG CB C 13 30.66 0.1 . 1 . . . . 78 ARG CB . 15788 1 352 . 1 1 79 79 ARG N N 15 120.93 0.02 . 1 . . . . 78 ARG N . 15788 1 353 . 1 1 80 80 LEU H H 1 9.31 0.01 . 1 . . . . 79 LEU H . 15788 1 354 . 1 1 80 80 LEU C C 13 174.73 0.02 . 1 . . . . 79 LEU CO . 15788 1 355 . 1 1 80 80 LEU CA C 13 56.98 0.1 . 1 . . . . 79 LEU CA . 15788 1 356 . 1 1 80 80 LEU CB C 13 44.72 0.1 . 1 . . . . 79 LEU CB . 15788 1 357 . 1 1 80 80 LEU N N 15 123.41 0.02 . 1 . . . . 79 LEU N . 15788 1 358 . 1 1 81 81 GLN H H 1 7.51 0.01 . 1 . . . . 80 GLN H . 15788 1 359 . 1 1 81 81 GLN C C 13 176.68 0.02 . 1 . . . . 80 GLN CO . 15788 1 360 . 1 1 81 81 GLN CA C 13 56.66 0.1 . 1 . . . . 80 GLN CA . 15788 1 361 . 1 1 81 81 GLN CB C 13 26.48 0.1 . 1 . . . . 80 GLN CB . 15788 1 362 . 1 1 81 81 GLN N N 15 108.5 0.02 . 1 . . . . 80 GLN N . 15788 1 363 . 1 1 82 82 HIS H H 1 7.04 0.01 . 1 . . . . 81 HIS H . 15788 1 364 . 1 1 82 82 HIS C C 13 176.42 0.02 . 1 . . . . 81 HIS CO . 15788 1 365 . 1 1 82 82 HIS CA C 13 55.45 0.1 . 1 . . . . 81 HIS CA . 15788 1 366 . 1 1 82 82 HIS CB C 13 30.55 0.1 . 1 . . . . 81 HIS CB . 15788 1 367 . 1 1 82 82 HIS N N 15 119.02 0.02 . 1 . . . . 81 HIS N . 15788 1 368 . 1 1 83 83 LEU H H 1 7.52 0.01 . 1 . . . . 82 LEU H . 15788 1 369 . 1 1 83 83 LEU C C 13 176.19 0.02 . 1 . . . . 82 LEU CO . 15788 1 370 . 1 1 83 83 LEU CA C 13 56.04 0.1 . 1 . . . . 82 LEU CA . 15788 1 371 . 1 1 83 83 LEU CB C 13 43.8 0.1 . 1 . . . . 82 LEU CB . 15788 1 372 . 1 1 83 83 LEU N N 15 121.85 0.02 . 1 . . . . 82 LEU N . 15788 1 373 . 1 1 84 84 LYS H H 1 8.69 0.01 . 1 . . . . 83 LYS H . 15788 1 374 . 1 1 84 84 LYS C C 13 176.46 0.02 . 1 . . . . 83 LYS CO . 15788 1 375 . 1 1 84 84 LYS CA C 13 53.55 0.1 . 1 . . . . 83 LYS CA . 15788 1 376 . 1 1 84 84 LYS CB C 13 35.89 0.1 . 1 . . . . 83 LYS CB . 15788 1 377 . 1 1 84 84 LYS N N 15 119.58 0.02 . 1 . . . . 83 LYS N . 15788 1 378 . 1 1 85 85 GLU H H 1 8.64 0.01 . 1 . . . . 84 GLU H . 15788 1 379 . 1 1 85 85 GLU C C 13 174.55 0.02 . 1 . . . . 84 GLU CO . 15788 1 380 . 1 1 85 85 GLU CA C 13 58.25 0.1 . 1 . . . . 84 GLU CA . 15788 1 381 . 1 1 85 85 GLU CB C 13 28.7 0.1 . 1 . . . . 84 GLU CB . 15788 1 382 . 1 1 85 85 GLU N N 15 119.2 0.02 . 1 . . . . 84 GLU N . 15788 1 383 . 1 1 86 86 GLY H H 1 9.22 0.01 . 1 . . . . 85 GLY H . 15788 1 384 . 1 1 86 86 GLY C C 13 174.54 0.02 . 1 . . . . 85 GLY CO . 15788 1 385 . 1 1 86 86 GLY CA C 13 44.87 0.1 . 1 . . . . 85 GLY CA . 15788 1 386 . 1 1 86 86 GLY N N 15 114.1 0.02 . 1 . . . . 85 GLY N . 15788 1 387 . 1 1 87 87 ASP H H 1 8.03 0.01 . 1 . . . . 86 ASP H . 15788 1 388 . 1 1 87 87 ASP C C 13 176.74 0.02 . 1 . . . . 86 ASP CO . 15788 1 389 . 1 1 87 87 ASP CA C 13 54.91 0.1 . 1 . . . . 86 ASP CA . 15788 1 390 . 1 1 87 87 ASP CB C 13 41.36 0.1 . 1 . . . . 86 ASP CB . 15788 1 391 . 1 1 87 87 ASP N N 15 121.47 0.02 . 1 . . . . 86 ASP N . 15788 1 392 . 1 1 88 88 GLU H H 1 8.13 0.01 . 1 . . . . 87 GLU H . 15788 1 393 . 1 1 88 88 GLU C C 13 176.31 0.02 . 1 . . . . 87 GLU CO . 15788 1 394 . 1 1 88 88 GLU CA C 13 55.13 0.1 . 1 . . . . 87 GLU CA . 15788 1 395 . 1 1 88 88 GLU CB C 13 31.82 0.1 . 1 . . . . 87 GLU CB . 15788 1 396 . 1 1 88 88 GLU N N 15 117.15 0.02 . 1 . . . . 87 GLU N . 15788 1 397 . 1 1 89 89 LEU H H 1 8.78 0.01 . 1 . . . . 88 LEU H . 15788 1 398 . 1 1 89 89 LEU C C 13 176.71 0.02 . 1 . . . . 88 LEU CO . 15788 1 399 . 1 1 89 89 LEU CA C 13 53.52 0.1 . 1 . . . . 88 LEU CA . 15788 1 400 . 1 1 89 89 LEU CB C 13 46.56 0.1 . 1 . . . . 88 LEU CB . 15788 1 401 . 1 1 89 89 LEU N N 15 123.53 0.02 . 1 . . . . 88 LEU N . 15788 1 402 . 1 1 90 90 MET H H 1 8.51 0.01 . 1 . . . . 89 MET H . 15788 1 403 . 1 1 90 90 MET C C 13 176.17 0.02 . 1 . . . . 89 MET CO . 15788 1 404 . 1 1 90 90 MET CA C 13 55.03 0.1 . 1 . . . . 89 MET CA . 15788 1 405 . 1 1 90 90 MET CB C 13 33.89 0.1 . 1 . . . . 89 MET CB . 15788 1 406 . 1 1 90 90 MET N N 15 122.75 0.02 . 1 . . . . 89 MET N . 15788 1 407 . 1 1 91 91 VAL H H 1 8.79 0.01 . 1 . . . . 90 VAL H . 15788 1 408 . 1 1 91 91 VAL C C 13 176.26 0.02 . 1 . . . . 90 VAL CO . 15788 1 409 . 1 1 91 91 VAL CA C 13 60.95 0.1 . 1 . . . . 90 VAL CA . 15788 1 410 . 1 1 91 91 VAL CB C 13 36.29 0.1 . 1 . . . . 90 VAL CB . 15788 1 411 . 1 1 91 91 VAL N N 15 120.65 0.02 . 1 . . . . 90 VAL N . 15788 1 412 . 1 1 92 92 SER H H 1 9.19 0.01 . 1 . . . . 91 SER H . 15788 1 413 . 1 1 92 92 SER C C 13 179.85 0.02 . 1 . . . . 91 SER CO . 15788 1 414 . 1 1 92 92 SER CA C 13 58.82 0.1 . 1 . . . . 91 SER CA . 15788 1 415 . 1 1 92 92 SER CB C 13 63.36 0.1 . 1 . . . . 91 SER CB . 15788 1 416 . 1 1 92 92 SER N N 15 121.89 0.02 . 1 . . . . 91 SER N . 15788 1 417 . 1 1 93 93 ARG H H 1 7.52 0.01 . 1 . . . . 92 ARG H . 15788 1 418 . 1 1 93 93 ARG C C 13 174.55 0.02 . 1 . . . . 92 ARG CO . 15788 1 419 . 1 1 93 93 ARG CA C 13 56.75 0.1 . 1 . . . . 92 ARG CA . 15788 1 420 . 1 1 93 93 ARG CB C 13 30.94 0.1 . 1 . . . . 92 ARG CB . 15788 1 421 . 1 1 93 93 ARG N N 15 109.92 0.02 . 1 . . . . 92 ARG N . 15788 1 422 . 1 1 94 94 LYS H H 1 7.72 0.01 . 1 . . . . 93 LYS H . 15788 1 423 . 1 1 94 94 LYS C C 13 178.48 0.02 . 1 . . . . 93 LYS CO . 15788 1 424 . 1 1 94 94 LYS CA C 13 52.82 0.1 . 1 . . . . 93 LYS CA . 15788 1 425 . 1 1 94 94 LYS CB C 13 33.2 0.1 . 1 . . . . 93 LYS CB . 15788 1 426 . 1 1 94 94 LYS N N 15 118.27 0.02 . 1 . . . . 93 LYS N . 15788 1 427 . 1 1 95 95 PRO C C 13 176.42 0.02 . 1 . . . . 94 PRO CO . 15788 1 428 . 1 1 95 95 PRO CA C 13 62.42 0.1 . 1 . . . . 94 PRO CA . 15788 1 429 . 1 1 95 95 PRO CB C 13 32.02 0.1 . 1 . . . . 94 PRO CB . 15788 1 430 . 1 1 96 96 THR H H 1 8.27 0.01 . 1 . . . . 95 THR H . 15788 1 431 . 1 1 96 96 THR C C 13 180.93 0.02 . 1 . . . . 95 THR CO . 15788 1 432 . 1 1 96 96 THR CA C 13 59.78 0.1 . 1 . . . . 95 THR CA . 15788 1 433 . 1 1 96 96 THR CB C 13 69.16 0.1 . 1 . . . . 95 THR CB . 15788 1 434 . 1 1 96 96 THR N N 15 115.28 0.02 . 1 . . . . 95 THR N . 15788 1 435 . 1 1 97 97 GLY H H 1 7.47 0.01 . 1 . . . . 96 GLY H . 15788 1 436 . 1 1 97 97 GLY C C 13 176.62 0.02 . 1 . . . . 96 GLY CO . 15788 1 437 . 1 1 97 97 GLY CA C 13 45.32 0.1 . 1 . . . . 96 GLY CA . 15788 1 438 . 1 1 97 97 GLY N N 15 106.87 0.02 . 1 . . . . 96 GLY N . 15788 1 439 . 1 1 98 98 THR H H 1 8.31 0.01 . 1 . . . . 97 THR H . 15788 1 440 . 1 1 98 98 THR C C 13 174.9 0.02 . 1 . . . . 97 THR CO . 15788 1 441 . 1 1 98 98 THR CA C 13 61.71 0.1 . 1 . . . . 97 THR CA . 15788 1 442 . 1 1 98 98 THR CB C 13 70.38 0.1 . 1 . . . . 97 THR CB . 15788 1 443 . 1 1 98 98 THR N N 15 109.81 0.02 . 1 . . . . 97 THR N . 15788 1 444 . 1 1 99 99 LEU H H 1 9.56 0.01 . 1 . . . . 98 LEU H . 15788 1 445 . 1 1 99 99 LEU C C 13 178.51 0.02 . 1 . . . . 98 LEU CO . 15788 1 446 . 1 1 99 99 LEU CA C 13 53.64 0.1 . 1 . . . . 98 LEU CA . 15788 1 447 . 1 1 99 99 LEU CB C 13 38.09 0.1 . 1 . . . . 98 LEU CB . 15788 1 448 . 1 1 99 99 LEU N N 15 127.03 0.02 . 1 . . . . 98 LEU N . 15788 1 449 . 1 1 100 100 VAL H H 1 7.08 0.01 . 1 . . . . 99 VAL H . 15788 1 450 . 1 1 100 100 VAL C C 13 174.81 0.02 . 1 . . . . 99 VAL CO . 15788 1 451 . 1 1 100 100 VAL CA C 13 57.56 0.1 . 1 . . . . 99 VAL CA . 15788 1 452 . 1 1 100 100 VAL CB C 13 34.15 0.1 . 1 . . . . 99 VAL CB . 15788 1 453 . 1 1 100 100 VAL N N 15 107.72 0.02 . 1 . . . . 99 VAL N . 15788 1 454 . 1 1 101 101 HIS H H 1 8.66 0.01 . 1 . . . . 100 HIS H . 15788 1 455 . 1 1 101 101 HIS C C 13 172.37 0.02 . 1 . . . . 100 HIS CO . 15788 1 456 . 1 1 101 101 HIS CA C 13 59.5 0.1 . 1 . . . . 100 HIS CA . 15788 1 457 . 1 1 101 101 HIS CB C 13 31.25 0.1 . 1 . . . . 100 HIS CB . 15788 1 458 . 1 1 101 101 HIS N N 15 119.7 0.02 . 1 . . . . 100 HIS N . 15788 1 459 . 1 1 102 102 ASP H H 1 8.32 0.01 . 1 . . . . 101 ASP H . 15788 1 460 . 1 1 102 102 ASP C C 13 175.08 0.02 . 1 . . . . 101 ASP CO . 15788 1 461 . 1 1 102 102 ASP CA C 13 55.87 0.1 . 1 . . . . 101 ASP CA . 15788 1 462 . 1 1 102 102 ASP CB C 13 40.42 0.1 . 1 . . . . 101 ASP CB . 15788 1 463 . 1 1 102 102 ASP N N 15 111.97 0.02 . 1 . . . . 101 ASP N . 15788 1 464 . 1 1 103 103 ASP H H 1 7.31 0.01 . 1 . . . . 102 ASP H . 15788 1 465 . 1 1 103 103 ASP C C 13 177.8 0.02 . 1 . . . . 102 ASP CO . 15788 1 466 . 1 1 103 103 ASP CA C 13 54.7 0.1 . 1 . . . . 102 ASP CA . 15788 1 467 . 1 1 103 103 ASP CB C 13 39.85 0.1 . 1 . . . . 102 ASP CB . 15788 1 468 . 1 1 103 103 ASP N N 15 117.2 0.02 . 1 . . . . 102 ASP N . 15788 1 469 . 1 1 104 104 LEU H H 1 7.43 0.01 . 1 . . . . 103 LEU H . 15788 1 470 . 1 1 104 104 LEU C C 13 173.47 0.02 . 1 . . . . 103 LEU CO . 15788 1 471 . 1 1 104 104 LEU CA C 13 52.8 0.1 . 1 . . . . 103 LEU CA . 15788 1 472 . 1 1 104 104 LEU CB C 13 43.27 0.1 . 1 . . . . 103 LEU CB . 15788 1 473 . 1 1 104 104 LEU N N 15 118.29 0.02 . 1 . . . . 103 LEU N . 15788 1 474 . 1 1 105 105 LEU H H 1 8.6 0.01 . 1 . . . . 104 LEU H . 15788 1 475 . 1 1 105 105 LEU C C 13 176.52 0.02 . 1 . . . . 104 LEU CO . 15788 1 476 . 1 1 105 105 LEU CA C 13 53.52 0.1 . 1 . . . . 104 LEU CA . 15788 1 477 . 1 1 105 105 LEU CB C 13 40.4 0.1 . 1 . . . . 104 LEU CB . 15788 1 478 . 1 1 105 105 LEU N N 15 125.61 0.02 . 1 . . . . 104 LEU N . 15788 1 479 . 1 1 106 106 PRO C C 13 174.13 0.02 . 1 . . . . 105 PRO CO . 15788 1 480 . 1 1 106 106 PRO CA C 13 63.37 0.1 . 1 . . . . 105 PRO CA . 15788 1 481 . 1 1 106 106 PRO CB C 13 31.42 0.1 . 1 . . . . 105 PRO CB . 15788 1 482 . 1 1 107 107 GLY H H 1 8.66 0.01 . 1 . . . . 106 GLY H . 15788 1 483 . 1 1 107 107 GLY C C 13 181.37 0.02 . 1 . . . . 106 GLY CO . 15788 1 484 . 1 1 107 107 GLY CA C 13 45.03 0.1 . 1 . . . . 106 GLY CA . 15788 1 485 . 1 1 107 107 GLY N N 15 110.96 0.02 . 1 . . . . 106 GLY N . 15788 1 486 . 1 1 108 108 LYS H H 1 8.87 0.01 . 1 . . . . 107 LYS H . 15788 1 487 . 1 1 108 108 LYS C C 13 174.94 0.02 . 1 . . . . 107 LYS CO . 15788 1 488 . 1 1 108 108 LYS CA C 13 57.78 0.1 . 1 . . . . 107 LYS CA . 15788 1 489 . 1 1 108 108 LYS CB C 13 35.53 0.1 . 1 . . . . 107 LYS CB . 15788 1 490 . 1 1 108 108 LYS N N 15 117.22 0.02 . 1 . . . . 107 LYS N . 15788 1 491 . 1 1 109 109 HIS H H 1 8.11 0.01 . 1 . . . . 108 HIS H . 15788 1 492 . 1 1 109 109 HIS C C 13 179.21 0.02 . 1 . . . . 108 HIS CO . 15788 1 493 . 1 1 109 109 HIS CA C 13 52.45 0.1 . 1 . . . . 108 HIS CA . 15788 1 494 . 1 1 109 109 HIS CB C 13 30.92 0.1 . 1 . . . . 108 HIS CB . 15788 1 495 . 1 1 109 109 HIS N N 15 118.42 0.02 . 1 . . . . 108 HIS N . 15788 1 496 . 1 1 110 110 LEU H H 1 8.14 0.01 . 1 . . . . 109 LEU H . 15788 1 497 . 1 1 110 110 LEU C C 13 178.28 0.02 . 1 . . . . 109 LEU CO . 15788 1 498 . 1 1 110 110 LEU CA C 13 52.53 0.1 . 1 . . . . 109 LEU CA . 15788 1 499 . 1 1 110 110 LEU CB C 13 40.92 0.1 . 1 . . . . 109 LEU CB . 15788 1 500 . 1 1 110 110 LEU N N 15 123.76 0.02 . 1 . . . . 109 LEU N . 15788 1 501 . 1 1 111 111 TYR H H 1 9.37 0.01 . 1 . . . . 110 TYR H . 15788 1 502 . 1 1 111 111 TYR C C 13 178.2 0.02 . 1 . . . . 110 TYR CO . 15788 1 503 . 1 1 111 111 TYR CA C 13 57.99 0.1 . 1 . . . . 110 TYR CA . 15788 1 504 . 1 1 111 111 TYR CB C 13 39.26 0.1 . 1 . . . . 110 TYR CB . 15788 1 505 . 1 1 111 111 TYR N N 15 126.73 0.02 . 1 . . . . 110 TYR N . 15788 1 506 . 1 1 112 112 LEU H H 1 9.46 0.01 . 1 . . . . 111 LEU H . 15788 1 507 . 1 1 112 112 LEU C C 13 178.18 0.02 . 1 . . . . 111 LEU CO . 15788 1 508 . 1 1 112 112 LEU CA C 13 52.52 0.1 . 1 . . . . 111 LEU CA . 15788 1 509 . 1 1 112 112 LEU CB C 13 39.82 0.1 . 1 . . . . 111 LEU CB . 15788 1 510 . 1 1 112 112 LEU N N 15 125.16 0.02 . 1 . . . . 111 LEU N . 15788 1 511 . 1 1 113 113 LEU H H 1 8.65 0.01 . 1 . . . . 112 LEU H . 15788 1 512 . 1 1 113 113 LEU C C 13 176.96 0.02 . 1 . . . . 112 LEU CO . 15788 1 513 . 1 1 113 113 LEU CA C 13 54.56 0.1 . 1 . . . . 112 LEU CA . 15788 1 514 . 1 1 113 113 LEU CB C 13 40.09 0.1 . 1 . . . . 112 LEU CB . 15788 1 515 . 1 1 113 113 LEU N N 15 123.22 0.02 . 1 . . . . 112 LEU N . 15788 1 516 . 1 1 114 114 SER H H 1 8.44 0.01 . 1 . . . . 113 SER H . 15788 1 517 . 1 1 114 114 SER C C 13 175.97 0.02 . 1 . . . . 113 SER CO . 15788 1 518 . 1 1 114 114 SER CA C 13 56.98 0.1 . 1 . . . . 113 SER CA . 15788 1 519 . 1 1 114 114 SER N N 15 116.72 0.02 . 1 . . . . 113 SER N . 15788 1 520 . 1 1 115 115 THR H H 1 7.61 0.01 . 1 . . . . 114 THR H . 15788 1 521 . 1 1 115 115 THR C C 13 175.84 0.02 . 1 . . . . 114 THR CO . 15788 1 522 . 1 1 115 115 THR CA C 13 58.66 0.1 . 1 . . . . 114 THR CA . 15788 1 523 . 1 1 115 115 THR CB C 13 71.33 0.1 . 1 . . . . 114 THR CB . 15788 1 524 . 1 1 115 115 THR N N 15 109.48 0.02 . 1 . . . . 114 THR N . 15788 1 525 . 1 1 116 116 GLY H H 1 7.79 0.01 . 1 . . . . 115 GLY H . 15788 1 526 . 1 1 116 116 GLY C C 13 174.76 0.02 . 1 . . . . 115 GLY CO . 15788 1 527 . 1 1 116 116 GLY CA C 13 47.08 0.1 . 1 . . . . 115 GLY CA . 15788 1 528 . 1 1 116 116 GLY N N 15 108.74 0.02 . 1 . . . . 115 GLY N . 15788 1 529 . 1 1 117 117 THR H H 1 9.6 0.01 . 1 . . . . 116 THR H . 15788 1 530 . 1 1 117 117 THR C C 13 176.33 0.02 . 1 . . . . 116 THR CO . 15788 1 531 . 1 1 117 117 THR CA C 13 64.5 0.1 . 1 . . . . 116 THR CA . 15788 1 532 . 1 1 117 117 THR CB C 13 67.37 0.1 . 1 . . . . 116 THR CB . 15788 1 533 . 1 1 117 117 THR N N 15 119.36 0.02 . 1 . . . . 116 THR N . 15788 1 534 . 1 1 118 118 GLY H H 1 8.87 0.01 . 1 . . . . 117 GLY H . 15788 1 535 . 1 1 118 118 GLY C C 13 180.01 0.02 . 1 . . . . 117 GLY CO . 15788 1 536 . 1 1 118 118 GLY CA C 13 46.6 0.1 . 1 . . . . 117 GLY CA . 15788 1 537 . 1 1 118 118 GLY N N 15 109.88 0.02 . 1 . . . . 117 GLY N . 15788 1 538 . 1 1 119 119 MET H H 1 6.8 0.01 . 1 . . . . 118 MET H . 15788 1 539 . 1 1 119 119 MET C C 13 173.82 0.02 . 1 . . . . 118 MET CO . 15788 1 540 . 1 1 119 119 MET CA C 13 57.55 0.1 . 1 . . . . 118 MET CA . 15788 1 541 . 1 1 119 119 MET CB C 13 33.03 0.1 . 1 . . . . 118 MET CB . 15788 1 542 . 1 1 119 119 MET N N 15 114.04 0.02 . 1 . . . . 118 MET N . 15788 1 543 . 1 1 120 120 ALA H H 1 8.69 0.01 . 1 . . . . 119 ALA H . 15788 1 544 . 1 1 120 120 ALA C C 13 176.15 0.02 . 1 . . . . 119 ALA CO . 15788 1 545 . 1 1 120 120 ALA CA C 13 56.69 0.1 . 1 . . . . 119 ALA CA . 15788 1 546 . 1 1 120 120 ALA CB C 13 17.75 0.1 . 1 . . . . 119 ALA CB . 15788 1 547 . 1 1 120 120 ALA N N 15 120.96 0.02 . 1 . . . . 119 ALA N . 15788 1 548 . 1 1 121 121 PRO C C 13 172.3 0.02 . 1 . . . . 120 PRO CO . 15788 1 549 . 1 1 121 121 PRO CA C 13 65.62 0.1 . 1 . . . . 120 PRO CA . 15788 1 550 . 1 1 121 121 PRO CB C 13 30.11 0.1 . 1 . . . . 120 PRO CB . 15788 1 551 . 1 1 122 122 PHE H H 1 6.91 0.01 . 1 . . . . 121 PHE H . 15788 1 552 . 1 1 122 122 PHE C C 13 173.75 0.02 . 1 . . . . 121 PHE CO . 15788 1 553 . 1 1 122 122 PHE CA C 13 55.17 0.1 . 1 . . . . 121 PHE CA . 15788 1 554 . 1 1 122 122 PHE CB C 13 35.65 0.1 . 1 . . . . 121 PHE CB . 15788 1 555 . 1 1 122 122 PHE N N 15 118.43 0.02 . 1 . . . . 121 PHE N . 15788 1 556 . 1 1 123 123 LEU H H 1 7.87 0.01 . 1 . . . . 122 LEU H . 15788 1 557 . 1 1 123 123 LEU C C 13 172.64 0.02 . 1 . . . . 122 LEU CO . 15788 1 558 . 1 1 123 123 LEU CA C 13 57.71 0.1 . 1 . . . . 122 LEU CA . 15788 1 559 . 1 1 123 123 LEU CB C 13 40.4 0.1 . 1 . . . . 122 LEU CB . 15788 1 560 . 1 1 123 123 LEU N N 15 123.26 0.02 . 1 . . . . 122 LEU N . 15788 1 561 . 1 1 124 124 SER H H 1 6.69 0.01 . 1 . . . . 123 SER H . 15788 1 562 . 1 1 124 124 SER C C 13 172.75 0.02 . 1 . . . . 123 SER CO . 15788 1 563 . 1 1 124 124 SER CA C 13 62.41 0.1 . 1 . . . . 123 SER CA . 15788 1 564 . 1 1 124 124 SER CB C 13 64.07 0.1 . 1 . . . . 123 SER CB . 15788 1 565 . 1 1 124 124 SER N N 15 113.74 0.02 . 1 . . . . 123 SER N . 15788 1 566 . 1 1 125 125 VAL H H 1 7.68 0.01 . 1 . . . . 124 VAL H . 15788 1 567 . 1 1 125 125 VAL C C 13 170.88 0.02 . 1 . . . . 124 VAL CO . 15788 1 568 . 1 1 125 125 VAL CA C 13 67.18 0.1 . 1 . . . . 124 VAL CA . 15788 1 569 . 1 1 125 125 VAL CB C 13 31.23 0.1 . 1 . . . . 124 VAL CB . 15788 1 570 . 1 1 125 125 VAL N N 15 117.97 0.02 . 1 . . . . 124 VAL N . 15788 1 571 . 1 1 126 126 ILE H H 1 8.57 0.01 . 1 . . . . 125 ILE H . 15788 1 572 . 1 1 126 126 ILE C C 13 176.13 0.02 . 1 . . . . 125 ILE CO . 15788 1 573 . 1 1 126 126 ILE CA C 13 64.26 0.1 . 1 . . . . 125 ILE CA . 15788 1 574 . 1 1 126 126 ILE CB C 13 36.45 0.1 . 1 . . . . 125 ILE CB . 15788 1 575 . 1 1 126 126 ILE N N 15 111.62 0.02 . 1 . . . . 125 ILE N . 15788 1 576 . 1 1 127 127 GLN H H 1 7.14 0.01 . 1 . . . . 126 GLN H . 15788 1 577 . 1 1 127 127 GLN C C 13 179.64 0.02 . 1 . . . . 126 GLN CO . 15788 1 578 . 1 1 127 127 GLN CA C 13 55.02 0.1 . 1 . . . . 126 GLN CA . 15788 1 579 . 1 1 127 127 GLN CB C 13 31.58 0.1 . 1 . . . . 126 GLN CB . 15788 1 580 . 1 1 127 127 GLN N N 15 117.1 0.02 . 1 . . . . 126 GLN N . 15788 1 581 . 1 1 128 128 ASP H H 1 7.29 0.01 . 1 . . . . 127 ASP H . 15788 1 582 . 1 1 128 128 ASP C C 13 176.19 0.02 . 1 . . . . 127 ASP CO . 15788 1 583 . 1 1 128 128 ASP CA C 13 50.36 0.1 . 1 . . . . 127 ASP CA . 15788 1 584 . 1 1 128 128 ASP CB C 13 42.46 0.1 . 1 . . . . 127 ASP CB . 15788 1 585 . 1 1 128 128 ASP N N 15 122.17 0.02 . 1 . . . . 127 ASP N . 15788 1 586 . 1 1 129 129 PRO C C 13 172.69 0.02 . 1 . . . . 128 PRO CO . 15788 1 587 . 1 1 130 130 GLU H H 1 8.57 0.01 . 1 . . . . 129 GLU H . 15788 1 588 . 1 1 130 130 GLU C C 13 173.28 0.02 . 1 . . . . 129 GLU CO . 15788 1 589 . 1 1 130 130 GLU CA C 13 58.79 0.1 . 1 . . . . 129 GLU CA . 15788 1 590 . 1 1 130 130 GLU CB C 13 28.88 0.1 . 1 . . . . 129 GLU CB . 15788 1 591 . 1 1 130 130 GLU N N 15 118.28 0.02 . 1 . . . . 129 GLU N . 15788 1 592 . 1 1 131 131 THR H H 1 7.88 0.01 . 1 . . . . 130 THR H . 15788 1 593 . 1 1 131 131 THR C C 13 177.8 0.02 . 1 . . . . 130 THR CO . 15788 1 594 . 1 1 131 131 THR CA C 13 65.71 0.1 . 1 . . . . 130 THR CA . 15788 1 595 . 1 1 131 131 THR CB C 13 68.23 0.1 . 1 . . . . 130 THR CB . 15788 1 596 . 1 1 131 131 THR N N 15 115.94 0.02 . 1 . . . . 130 THR N . 15788 1 597 . 1 1 132 132 TYR H H 1 6.26 0.01 . 1 . . . . 131 TYR H . 15788 1 598 . 1 1 132 132 TYR C C 13 176.03 0.02 . 1 . . . . 131 TYR CO . 15788 1 599 . 1 1 132 132 TYR CA C 13 59.49 0.1 . 1 . . . . 131 TYR CA . 15788 1 600 . 1 1 132 132 TYR CB C 13 37.55 0.1 . 1 . . . . 131 TYR CB . 15788 1 601 . 1 1 132 132 TYR N N 15 114.98 0.02 . 1 . . . . 131 TYR N . 15788 1 602 . 1 1 133 133 GLU H H 1 7.35 0.01 . 1 . . . . 132 GLU H . 15788 1 603 . 1 1 133 133 GLU C C 13 172.57 0.02 . 1 . . . . 132 GLU CO . 15788 1 604 . 1 1 133 133 GLU CA C 13 57.57 0.1 . 1 . . . . 132 GLU CA . 15788 1 605 . 1 1 133 133 GLU CB C 13 29.57 0.1 . 1 . . . . 132 GLU CB . 15788 1 606 . 1 1 133 133 GLU N N 15 117.02 0.02 . 1 . . . . 132 GLU N . 15788 1 607 . 1 1 134 134 ARG H H 1 7.21 0.01 . 1 . . . . 133 ARG H . 15788 1 608 . 1 1 134 134 ARG C C 13 176.34 0.02 . 1 . . . . 133 ARG CO . 15788 1 609 . 1 1 134 134 ARG CA C 13 57.81 0.1 . 1 . . . . 133 ARG CA . 15788 1 610 . 1 1 134 134 ARG CB C 13 32.62 0.1 . 1 . . . . 133 ARG CB . 15788 1 611 . 1 1 134 134 ARG N N 15 115.21 0.02 . 1 . . . . 133 ARG N . 15788 1 612 . 1 1 135 135 TYR H H 1 6.83 0.01 . 1 . . . . 134 TYR H . 15788 1 613 . 1 1 135 135 TYR C C 13 177.28 0.02 . 1 . . . . 134 TYR CO . 15788 1 614 . 1 1 135 135 TYR CA C 13 57.86 0.1 . 1 . . . . 134 TYR CA . 15788 1 615 . 1 1 135 135 TYR CB C 13 41.51 0.1 . 1 . . . . 134 TYR CB . 15788 1 616 . 1 1 135 135 TYR N N 15 113.49 0.02 . 1 . . . . 134 TYR N . 15788 1 617 . 1 1 136 136 GLU H H 1 9.22 0.01 . 1 . . . . 135 GLU H . 15788 1 618 . 1 1 136 136 GLU C C 13 174.18 0.02 . 1 . . . . 135 GLU CO . 15788 1 619 . 1 1 136 136 GLU CA C 13 57.82 0.1 . 1 . . . . 135 GLU CA . 15788 1 620 . 1 1 136 136 GLU CB C 13 30.8 0.1 . 1 . . . . 135 GLU CB . 15788 1 621 . 1 1 136 136 GLU N N 15 118.75 0.02 . 1 . . . . 135 GLU N . 15788 1 622 . 1 1 137 137 LYS H H 1 7.67 0.01 . 1 . . . . 136 LYS H . 15788 1 623 . 1 1 137 137 LYS C C 13 177.65 0.02 . 1 . . . . 136 LYS CO . 15788 1 624 . 1 1 137 137 LYS CA C 13 53.77 0.1 . 1 . . . . 136 LYS CA . 15788 1 625 . 1 1 137 137 LYS CB C 13 37.39 0.1 . 1 . . . . 136 LYS CB . 15788 1 626 . 1 1 137 137 LYS N N 15 113.09 0.02 . 1 . . . . 136 LYS N . 15788 1 627 . 1 1 138 138 VAL H H 1 8.88 0.01 . 1 . . . . 137 VAL H . 15788 1 628 . 1 1 138 138 VAL C C 13 179.24 0.02 . 1 . . . . 137 VAL CO . 15788 1 629 . 1 1 138 138 VAL CA C 13 60.43 0.1 . 1 . . . . 137 VAL CA . 15788 1 630 . 1 1 138 138 VAL CB C 13 34.01 0.1 . 1 . . . . 137 VAL CB . 15788 1 631 . 1 1 138 138 VAL N N 15 124.08 0.02 . 1 . . . . 137 VAL N . 15788 1 632 . 1 1 139 139 ILE H H 1 9.23 0.01 . 1 . . . . 138 ILE H . 15788 1 633 . 1 1 139 139 ILE C C 13 178.16 0.02 . 1 . . . . 138 ILE CO . 15788 1 634 . 1 1 139 139 ILE CA C 13 60.34 0.1 . 1 . . . . 138 ILE CA . 15788 1 635 . 1 1 139 139 ILE CB C 13 39.01 0.1 . 1 . . . . 138 ILE CB . 15788 1 636 . 1 1 139 139 ILE N N 15 128.4 0.02 . 1 . . . . 138 ILE N . 15788 1 637 . 1 1 140 140 LEU H H 1 9.22 0.01 . 1 . . . . 139 LEU H . 15788 1 638 . 1 1 140 140 LEU C C 13 178.12 0.02 . 1 . . . . 139 LEU CO . 15788 1 639 . 1 1 140 140 LEU CA C 13 53.44 0.1 . 1 . . . . 139 LEU CA . 15788 1 640 . 1 1 140 140 LEU CB C 13 43.48 0.1 . 1 . . . . 139 LEU CB . 15788 1 641 . 1 1 140 140 LEU N N 15 128.53 0.02 . 1 . . . . 139 LEU N . 15788 1 642 . 1 1 141 141 VAL H H 1 9.42 0.01 . 1 . . . . 140 VAL H . 15788 1 643 . 1 1 141 141 VAL C C 13 176.2 0.02 . 1 . . . . 140 VAL CO . 15788 1 644 . 1 1 141 141 VAL CA C 13 60.96 0.1 . 1 . . . . 140 VAL CA . 15788 1 645 . 1 1 141 141 VAL CB C 13 32.49 0.1 . 1 . . . . 140 VAL CB . 15788 1 646 . 1 1 141 141 VAL N N 15 129.41 0.02 . 1 . . . . 140 VAL N . 15788 1 647 . 1 1 142 142 HIS H H 1 7.7 0.01 . 1 . . . . 141 HIS H . 15788 1 648 . 1 1 142 142 HIS C C 13 178.77 0.02 . 1 . . . . 141 HIS CO . 15788 1 649 . 1 1 142 142 HIS N N 15 128.72 0.02 . 1 . . . . 141 HIS N . 15788 1 650 . 1 1 143 143 GLY H H 1 8.59 0.01 . 1 . . . . 142 GLY H . 15788 1 651 . 1 1 143 143 GLY C C 13 178.66 0.02 . 1 . . . . 142 GLY CO . 15788 1 652 . 1 1 143 143 GLY CA C 13 45.61 0.1 . 1 . . . . 142 GLY CA . 15788 1 653 . 1 1 143 143 GLY N N 15 112.63 0.02 . 1 . . . . 142 GLY N . 15788 1 654 . 1 1 144 144 VAL H H 1 8.85 0.01 . 1 . . . . 143 VAL H . 15788 1 655 . 1 1 144 144 VAL C C 13 176.29 0.02 . 1 . . . . 143 VAL CO . 15788 1 656 . 1 1 144 144 VAL CA C 13 59.02 0.1 . 1 . . . . 143 VAL CA . 15788 1 657 . 1 1 144 144 VAL CB C 13 34.42 0.1 . 1 . . . . 143 VAL CB . 15788 1 658 . 1 1 144 144 VAL N N 15 120.23 0.02 . 1 . . . . 143 VAL N . 15788 1 659 . 1 1 145 145 ARG H H 1 8.21 0.01 . 1 . . . . 144 ARG H . 15788 1 660 . 1 1 145 145 ARG C C 13 176.4 0.02 . 1 . . . . 144 ARG CO . 15788 1 661 . 1 1 145 145 ARG CA C 13 58.16 0.1 . 1 . . . . 144 ARG CA . 15788 1 662 . 1 1 145 145 ARG CB C 13 30.71 0.1 . 1 . . . . 144 ARG CB . 15788 1 663 . 1 1 145 145 ARG N N 15 117.59 0.02 . 1 . . . . 144 ARG N . 15788 1 664 . 1 1 146 146 TRP H H 1 7.25 0.01 . 1 . . . . 145 TRP H . 15788 1 665 . 1 1 146 146 TRP C C 13 175.21 0.02 . 1 . . . . 145 TRP CO . 15788 1 666 . 1 1 146 146 TRP CA C 13 54.36 0.1 . 1 . . . . 145 TRP CA . 15788 1 667 . 1 1 146 146 TRP CB C 13 32.98 0.1 . 1 . . . . 145 TRP CB . 15788 1 668 . 1 1 146 146 TRP N N 15 114.68 0.02 . 1 . . . . 145 TRP N . 15788 1 669 . 1 1 147 147 VAL H H 1 9.79 0.01 . 1 . . . . 146 VAL H . 15788 1 670 . 1 1 147 147 VAL C C 13 172.42 0.02 . 1 . . . . 146 VAL CO . 15788 1 671 . 1 1 147 147 VAL CA C 13 65.88 0.1 . 1 . . . . 146 VAL CA . 15788 1 672 . 1 1 147 147 VAL CB C 13 31.45 0.1 . 1 . . . . 146 VAL CB . 15788 1 673 . 1 1 147 147 VAL N N 15 123.78 0.02 . 1 . . . . 146 VAL N . 15788 1 674 . 1 1 148 148 SER H H 1 8.86 0.01 . 1 . . . . 147 SER H . 15788 1 675 . 1 1 148 148 SER C C 13 176.91 0.02 . 1 . . . . 147 SER CO . 15788 1 676 . 1 1 148 148 SER CA C 13 60.1 0.1 . 1 . . . . 147 SER CA . 15788 1 677 . 1 1 148 148 SER CB C 13 62.58 0.1 . 1 . . . . 147 SER CB . 15788 1 678 . 1 1 148 148 SER N N 15 115.2 0.02 . 1 . . . . 147 SER N . 15788 1 679 . 1 1 149 149 GLU H H 1 7.85 0.01 . 1 . . . . 148 GLU H . 15788 1 680 . 1 1 149 149 GLU C C 13 174.27 0.02 . 1 . . . . 148 GLU CO . 15788 1 681 . 1 1 149 149 GLU CA C 13 55.99 0.1 . 1 . . . . 148 GLU CA . 15788 1 682 . 1 1 149 149 GLU CB C 13 28.74 0.1 . 1 . . . . 148 GLU CB . 15788 1 683 . 1 1 149 149 GLU N N 15 117.36 0.02 . 1 . . . . 148 GLU N . 15788 1 684 . 1 1 150 150 LEU H H 1 7.46 0.01 . 1 . . . . 149 LEU H . 15788 1 685 . 1 1 150 150 LEU C C 13 174.43 0.02 . 1 . . . . 149 LEU CO . 15788 1 686 . 1 1 150 150 LEU CA C 13 53.39 0.1 . 1 . . . . 149 LEU CA . 15788 1 687 . 1 1 150 150 LEU CB C 13 37.98 0.1 . 1 . . . . 149 LEU CB . 15788 1 688 . 1 1 150 150 LEU N N 15 122.99 0.02 . 1 . . . . 149 LEU N . 15788 1 689 . 1 1 151 151 ALA H H 1 8.19 0.01 . 1 . . . . 150 ALA H . 15788 1 690 . 1 1 151 151 ALA C C 13 176.57 0.02 . 1 . . . . 150 ALA CO . 15788 1 691 . 1 1 151 151 ALA CA C 13 51.91 0.1 . 1 . . . . 150 ALA CA . 15788 1 692 . 1 1 151 151 ALA CB C 13 19.03 0.1 . 1 . . . . 150 ALA CB . 15788 1 693 . 1 1 151 151 ALA N N 15 127.84 0.02 . 1 . . . . 150 ALA N . 15788 1 694 . 1 1 153 153 ALA H H 1 6.88 0.01 . 1 . . . . 152 ALA H . 15788 1 695 . 1 1 153 153 ALA C C 13 170.93 0.02 . 1 . . . . 152 ALA CO . 15788 1 696 . 1 1 153 153 ALA CA C 13 56.78 0.1 . 1 . . . . 152 ALA CA . 15788 1 697 . 1 1 153 153 ALA CB C 13 19.36 0.1 . 1 . . . . 152 ALA CB . 15788 1 698 . 1 1 153 153 ALA N N 15 121.17 0.02 . 1 . . . . 152 ALA N . 15788 1 699 . 1 1 154 154 ASP H H 1 8.59 0.01 . 1 . . . . 153 ASP H . 15788 1 700 . 1 1 154 154 ASP C C 13 173.72 0.02 . 1 . . . . 153 ASP CO . 15788 1 701 . 1 1 154 154 ASP CA C 13 57.45 0.1 . 1 . . . . 153 ASP CA . 15788 1 702 . 1 1 154 154 ASP CB C 13 39.49 0.1 . 1 . . . . 153 ASP CB . 15788 1 703 . 1 1 154 154 ASP N N 15 118.16 0.02 . 1 . . . . 153 ASP N . 15788 1 704 . 1 1 155 155 PHE H H 1 8.59 0.01 . 1 . . . . 154 PHE H . 15788 1 705 . 1 1 155 155 PHE C C 13 174.68 0.02 . 1 . . . . 154 PHE CO . 15788 1 706 . 1 1 155 155 PHE CA C 13 60.97 0.1 . 1 . . . . 154 PHE CA . 15788 1 707 . 1 1 155 155 PHE CB C 13 38.53 0.1 . 1 . . . . 154 PHE CB . 15788 1 708 . 1 1 155 155 PHE N N 15 123.81 0.02 . 1 . . . . 154 PHE N . 15788 1 709 . 1 1 156 156 ILE H H 1 8.71 0.01 . 1 . . . . 155 ILE H . 15788 1 710 . 1 1 156 156 ILE C C 13 175.45 0.02 . 1 . . . . 155 ILE CO . 15788 1 711 . 1 1 156 156 ILE CA C 13 65.45 0.1 . 1 . . . . 155 ILE CA . 15788 1 712 . 1 1 156 156 ILE CB C 13 38.47 0.1 . 1 . . . . 155 ILE CB . 15788 1 713 . 1 1 156 156 ILE N N 15 118.33 0.02 . 1 . . . . 155 ILE N . 15788 1 714 . 1 1 157 157 THR H H 1 7.6 0.01 . 1 . . . . 156 THR H . 15788 1 715 . 1 1 157 157 THR C C 13 175.29 0.02 . 1 . . . . 156 THR CO . 15788 1 716 . 1 1 157 157 THR CA C 13 63.48 0.1 . 1 . . . . 156 THR CA . 15788 1 717 . 1 1 157 157 THR CB C 13 70.96 0.1 . 1 . . . . 156 THR CB . 15788 1 718 . 1 1 157 157 THR N N 15 104.27 0.02 . 1 . . . . 156 THR N . 15788 1 719 . 1 1 158 158 LYS H H 1 8.56 0.01 . 1 . . . . 157 LYS H . 15788 1 720 . 1 1 158 158 LYS C C 13 174.28 0.02 . 1 . . . . 157 LYS CO . 15788 1 721 . 1 1 158 158 LYS CA C 13 56.99 0.1 . 1 . . . . 157 LYS CA . 15788 1 722 . 1 1 158 158 LYS CB C 13 33.87 0.1 . 1 . . . . 157 LYS CB . 15788 1 723 . 1 1 158 158 LYS N N 15 118.31 0.02 . 1 . . . . 157 LYS N . 15788 1 724 . 1 1 159 159 VAL H H 1 7.32 0.01 . 1 . . . . 158 VAL H . 15788 1 725 . 1 1 159 159 VAL C C 13 173.58 0.02 . 1 . . . . 158 VAL CO . 15788 1 726 . 1 1 159 159 VAL CA C 13 65.27 0.1 . 1 . . . . 158 VAL CA . 15788 1 727 . 1 1 159 159 VAL CB C 13 31.79 0.1 . 1 . . . . 158 VAL CB . 15788 1 728 . 1 1 159 159 VAL N N 15 121.46 0.02 . 1 . . . . 158 VAL N . 15788 1 729 . 1 1 160 160 LEU H H 1 8.26 0.01 . 1 . . . . 159 LEU H . 15788 1 730 . 1 1 160 160 LEU C C 13 176.46 0.02 . 1 . . . . 159 LEU CO . 15788 1 731 . 1 1 160 160 LEU CA C 13 58.85 0.1 . 1 . . . . 159 LEU CA . 15788 1 732 . 1 1 160 160 LEU CB C 13 38.61 0.1 . 1 . . . . 159 LEU CB . 15788 1 733 . 1 1 160 160 LEU N N 15 122.76 0.02 . 1 . . . . 159 LEU N . 15788 1 734 . 1 1 161 161 PRO C C 13 176.74 0.02 . 1 . . . . 160 PRO CO . 15788 1 735 . 1 1 161 161 PRO CA C 13 64.79 0.1 . 1 . . . . 160 PRO CA . 15788 1 736 . 1 1 161 161 PRO CB C 13 31.03 0.1 . 1 . . . . 160 PRO CB . 15788 1 737 . 1 1 162 162 GLU H H 1 7.13 0.01 . 1 . . . . 161 GLU H . 15788 1 738 . 1 1 162 162 GLU C C 13 175.05 0.02 . 1 . . . . 161 GLU CO . 15788 1 739 . 1 1 162 162 GLU CA C 13 53.8 0.1 . 1 . . . . 161 GLU CA . 15788 1 740 . 1 1 162 162 GLU CB C 13 28.65 0.1 . 1 . . . . 161 GLU CB . 15788 1 741 . 1 1 162 162 GLU N N 15 111.3 0.02 . 1 . . . . 161 GLU N . 15788 1 742 . 1 1 163 163 HIS H H 1 7.7 0.01 . 1 . . . . 162 HIS H . 15788 1 743 . 1 1 163 163 HIS C C 13 173.47 0.02 . 1 . . . . 162 HIS CO . 15788 1 744 . 1 1 163 163 HIS CA C 13 59.95 0.1 . 1 . . . . 162 HIS CA . 15788 1 745 . 1 1 163 163 HIS CB C 13 30.5 0.1 . 1 . . . . 162 HIS CB . 15788 1 746 . 1 1 163 163 HIS N N 15 123.35 0.02 . 1 . . . . 162 HIS N . 15788 1 747 . 1 1 164 164 GLU H H 1 8.52 0.01 . 1 . . . . 163 GLU H . 15788 1 748 . 1 1 164 164 GLU C C 13 174.95 0.02 . 1 . . . . 163 GLU CO . 15788 1 749 . 1 1 164 164 GLU CA C 13 58.97 0.1 . 1 . . . . 163 GLU CA . 15788 1 750 . 1 1 164 164 GLU CB C 13 29.4 0.1 . 1 . . . . 163 GLU CB . 15788 1 751 . 1 1 164 164 GLU N N 15 127.66 0.02 . 1 . . . . 163 GLU N . 15788 1 752 . 1 1 165 165 TYR H H 1 9.88 0.01 . 1 . . . . 164 TYR H . 15788 1 753 . 1 1 165 165 TYR C C 13 174.37 0.02 . 1 . . . . 164 TYR CO . 15788 1 754 . 1 1 165 165 TYR CA C 13 58.76 0.1 . 1 . . . . 164 TYR CA . 15788 1 755 . 1 1 165 165 TYR N N 15 119.78 0.02 . 1 . . . . 164 TYR N . 15788 1 756 . 1 1 166 166 PHE H H 1 7.66 0.01 . 1 . . . . 165 PHE H . 15788 1 757 . 1 1 166 166 PHE C C 13 175.68 0.02 . 1 . . . . 165 PHE CO . 15788 1 758 . 1 1 166 166 PHE CA C 13 56.65 0.1 . 1 . . . . 165 PHE CA . 15788 1 759 . 1 1 166 166 PHE CB C 13 37.65 0.1 . 1 . . . . 165 PHE CB . 15788 1 760 . 1 1 166 166 PHE N N 15 113.97 0.02 . 1 . . . . 165 PHE N . 15788 1 761 . 1 1 167 167 GLY H H 1 8.07 0.01 . 1 . . . . 166 GLY H . 15788 1 762 . 1 1 167 167 GLY C C 13 176.69 0.02 . 1 . . . . 166 GLY CO . 15788 1 763 . 1 1 167 167 GLY CA C 13 48.21 0.1 . 1 . . . . 166 GLY CA . 15788 1 764 . 1 1 167 167 GLY N N 15 113.8 0.02 . 1 . . . . 166 GLY N . 15788 1 765 . 1 1 168 168 ASP H H 1 8.59 0.01 . 1 . . . . 167 ASP H . 15788 1 766 . 1 1 168 168 ASP C C 13 172.5 0.02 . 1 . . . . 167 ASP CO . 15788 1 767 . 1 1 168 168 ASP CA C 13 57.29 0.1 . 1 . . . . 167 ASP CA . 15788 1 768 . 1 1 168 168 ASP CB C 13 39.25 0.1 . 1 . . . . 167 ASP CB . 15788 1 769 . 1 1 168 168 ASP N N 15 118.81 0.02 . 1 . . . . 167 ASP N . 15788 1 770 . 1 1 169 169 GLN H H 1 7.51 0.01 . 1 . . . . 168 GLN H . 15788 1 771 . 1 1 169 169 GLN C C 13 174.08 0.02 . 1 . . . . 168 GLN CO . 15788 1 772 . 1 1 169 169 GLN CA C 13 58.67 0.1 . 1 . . . . 168 GLN CA . 15788 1 773 . 1 1 169 169 GLN CB C 13 28.16 0.1 . 1 . . . . 168 GLN CB . 15788 1 774 . 1 1 169 169 GLN N N 15 119.11 0.02 . 1 . . . . 168 GLN N . 15788 1 775 . 1 1 170 170 VAL H H 1 7.61 0.01 . 1 . . . . 169 VAL H . 15788 1 776 . 1 1 170 170 VAL C C 13 172.27 0.02 . 1 . . . . 169 VAL CO . 15788 1 777 . 1 1 170 170 VAL CA C 13 59.65 0.1 . 1 . . . . 169 VAL CA . 15788 1 778 . 1 1 170 170 VAL CB C 13 31.28 0.1 . 1 . . . . 169 VAL CB . 15788 1 779 . 1 1 170 170 VAL N N 15 120.36 0.02 . 1 . . . . 169 VAL N . 15788 1 780 . 1 1 171 171 LYS H H 1 8.48 0.01 . 1 . . . . 170 LYS H . 15788 1 781 . 1 1 171 171 LYS C C 13 172.54 0.02 . 1 . . . . 170 LYS CO . 15788 1 782 . 1 1 171 171 LYS CA C 13 59.94 0.1 . 1 . . . . 170 LYS CA . 15788 1 783 . 1 1 171 171 LYS CB C 13 32.7 0.1 . 1 . . . . 170 LYS CB . 15788 1 784 . 1 1 171 171 LYS N N 15 118.03 0.02 . 1 . . . . 170 LYS N . 15788 1 785 . 1 1 172 172 GLU H H 1 7.4 0.01 . 1 . . . . 171 GLU H . 15788 1 786 . 1 1 172 172 GLU C C 13 173.74 0.02 . 1 . . . . 171 GLU CO . 15788 1 787 . 1 1 172 172 GLU CA C 13 58.09 0.1 . 1 . . . . 171 GLU CA . 15788 1 788 . 1 1 172 172 GLU CB C 13 30.81 0.1 . 1 . . . . 171 GLU CB . 15788 1 789 . 1 1 172 172 GLU N N 15 115.5 0.02 . 1 . . . . 171 GLU N . 15788 1 790 . 1 1 173 173 LYS H H 1 8.36 0.01 . 1 . . . . 172 LYS H . 15788 1 791 . 1 1 173 173 LYS C C 13 175.78 0.02 . 1 . . . . 172 LYS CO . 15788 1 792 . 1 1 173 173 LYS CA C 13 58.73 0.1 . 1 . . . . 172 LYS CA . 15788 1 793 . 1 1 173 173 LYS CB C 13 36.81 0.1 . 1 . . . . 172 LYS CB . 15788 1 794 . 1 1 173 173 LYS N N 15 114.5 0.02 . 1 . . . . 172 LYS N . 15788 1 795 . 1 1 174 174 LEU H H 1 8.43 0.01 . 1 . . . . 173 LEU H . 15788 1 796 . 1 1 174 174 LEU C C 13 174.91 0.02 . 1 . . . . 173 LEU CO . 15788 1 797 . 1 1 174 174 LEU CA C 13 55.24 0.1 . 1 . . . . 173 LEU CA . 15788 1 798 . 1 1 174 174 LEU CB C 13 42.61 0.1 . 1 . . . . 173 LEU CB . 15788 1 799 . 1 1 174 174 LEU N N 15 119.36 0.02 . 1 . . . . 173 LEU N . 15788 1 800 . 1 1 175 175 ILE H H 1 9.78 0.01 . 1 . . . . 174 ILE H . 15788 1 801 . 1 1 175 175 ILE C C 13 178.44 0.02 . 1 . . . . 174 ILE CO . 15788 1 802 . 1 1 175 175 ILE CA C 13 60.6 0.1 . 1 . . . . 174 ILE CA . 15788 1 803 . 1 1 175 175 ILE CB C 13 39.45 0.1 . 1 . . . . 174 ILE CB . 15788 1 804 . 1 1 175 175 ILE N N 15 131.49 0.02 . 1 . . . . 174 ILE N . 15788 1 805 . 1 1 176 176 TYR H H 1 8.62 0.01 . 1 . . . . 175 TYR H . 15788 1 806 . 1 1 176 176 TYR C C 13 178.34 0.02 . 1 . . . . 175 TYR CO . 15788 1 807 . 1 1 176 176 TYR CA C 13 54.55 0.1 . 1 . . . . 175 TYR CA . 15788 1 808 . 1 1 176 176 TYR CB C 13 39.97 0.1 . 1 . . . . 175 TYR CB . 15788 1 809 . 1 1 176 176 TYR N N 15 128.47 0.02 . 1 . . . . 175 TYR N . 15788 1 810 . 1 1 177 177 TYR H H 1 9.67 0.01 . 1 . . . . 176 TYR H . 15788 1 811 . 1 1 177 177 TYR CA C 13 55.55 0.1 . 1 . . . . 176 TYR CA . 15788 1 812 . 1 1 177 177 TYR CB C 13 39.27 0.1 . 1 . . . . 176 TYR CB . 15788 1 813 . 1 1 177 177 TYR N N 15 134.04 0.02 . 1 . . . . 176 TYR N . 15788 1 814 . 1 1 178 178 PRO C C 13 175.85 0.02 . 1 . . . . 177 PRO CO . 15788 1 815 . 1 1 178 178 PRO CA C 13 61.52 0.1 . 1 . . . . 177 PRO CA . 15788 1 816 . 1 1 178 178 PRO CB C 13 33.44 0.1 . 1 . . . . 177 PRO CB . 15788 1 817 . 1 1 179 179 LEU H H 1 8.61 0.01 . 1 . . . . 178 LEU H . 15788 1 818 . 1 1 179 179 LEU C C 13 177.79 0.02 . 1 . . . . 178 LEU CO . 15788 1 819 . 1 1 179 179 LEU CA C 13 54.69 0.1 . 1 . . . . 178 LEU CA . 15788 1 820 . 1 1 179 179 LEU CB C 13 46 0.1 . 1 . . . . 178 LEU CB . 15788 1 821 . 1 1 179 179 LEU N N 15 122.53 0.02 . 1 . . . . 178 LEU N . 15788 1 822 . 1 1 180 180 VAL H H 1 7.46 0.01 . 1 . . . . 179 VAL H . 15788 1 823 . 1 1 180 180 VAL C C 13 173.79 0.02 . 1 . . . . 179 VAL CO . 15788 1 824 . 1 1 180 180 VAL CA C 13 60.09 0.1 . 1 . . . . 179 VAL CA . 15788 1 825 . 1 1 180 180 VAL CB C 13 35.27 0.1 . 1 . . . . 179 VAL CB . 15788 1 826 . 1 1 180 180 VAL N N 15 122.26 0.02 . 1 . . . . 179 VAL N . 15788 1 827 . 1 1 181 181 THR H H 1 8.1 0.01 . 1 . . . . 180 THR H . 15788 1 828 . 1 1 181 181 THR CA C 13 63.09 0.1 . 1 . . . . 180 THR CA . 15788 1 829 . 1 1 181 181 THR CB C 13 70.3 0.1 . 1 . . . . 180 THR CB . 15788 1 830 . 1 1 181 181 THR N N 15 112.9 0.02 . 1 . . . . 180 THR N . 15788 1 831 . 1 1 182 182 ARG H H 1 8.46 0.01 . 1 . . . . 181 ARG H . 15788 1 832 . 1 1 182 182 ARG C C 13 176.9 0.02 . 1 . . . . 181 ARG CO . 15788 1 833 . 1 1 182 182 ARG CA C 13 56.5 0.1 . 1 . . . . 181 ARG CA . 15788 1 834 . 1 1 182 182 ARG CB C 13 28.79 0.1 . 1 . . . . 181 ARG CB . 15788 1 835 . 1 1 182 182 ARG N N 15 118.87 0.02 . 1 . . . . 181 ARG N . 15788 1 836 . 1 1 183 183 GLU H H 1 7.09 0.01 . 1 . . . . 182 GLU H . 15788 1 837 . 1 1 183 183 GLU C C 13 179.68 0.02 . 1 . . . . 182 GLU CO . 15788 1 838 . 1 1 183 183 GLU CA C 13 53.54 0.1 . 1 . . . . 182 GLU CA . 15788 1 839 . 1 1 183 183 GLU CB C 13 30.84 0.1 . 1 . . . . 182 GLU CB . 15788 1 840 . 1 1 183 183 GLU N N 15 116.32 0.02 . 1 . . . . 182 GLU N . 15788 1 841 . 1 1 184 184 PRO C C 13 175.64 0.02 . 1 . . . . 183 PRO CO . 15788 1 842 . 1 1 184 184 PRO CA C 13 63.72 0.1 . 1 . . . . 183 PRO CA . 15788 1 843 . 1 1 184 184 PRO CB C 13 31.6 0.1 . 1 . . . . 183 PRO CB . 15788 1 844 . 1 1 185 185 PHE H H 1 7.81 0.01 . 1 . . . . 184 PHE H . 15788 1 845 . 1 1 185 185 PHE C C 13 177.35 0.02 . 1 . . . . 184 PHE CO . 15788 1 846 . 1 1 185 185 PHE CA C 13 57.65 0.1 . 1 . . . . 184 PHE CA . 15788 1 847 . 1 1 185 185 PHE CB C 13 41.59 0.1 . 1 . . . . 184 PHE CB . 15788 1 848 . 1 1 185 185 PHE N N 15 120.64 0.02 . 1 . . . . 184 PHE N . 15788 1 849 . 1 1 188 188 GLN H H 1 8.42 0.01 . 1 . . . . 187 GLN H . 15788 1 850 . 1 1 188 188 GLN C C 13 175.97 0.02 . 1 . . . . 187 GLN CO . 15788 1 851 . 1 1 188 188 GLN CA C 13 53.91 0.1 . 1 . . . . 187 GLN CA . 15788 1 852 . 1 1 188 188 GLN CB C 13 31.92 0.1 . 1 . . . . 187 GLN CB . 15788 1 853 . 1 1 188 188 GLN N N 15 123.44 0.02 . 1 . . . . 187 GLN N . 15788 1 854 . 1 1 189 189 GLY H H 1 7.45 0.01 . 1 . . . . 188 GLY H . 15788 1 855 . 1 1 189 189 GLY C C 13 180.7 0.02 . 1 . . . . 188 GLY CO . 15788 1 856 . 1 1 189 189 GLY CA C 13 43.61 0.1 . 1 . . . . 188 GLY CA . 15788 1 857 . 1 1 189 189 GLY N N 15 109.26 0.02 . 1 . . . . 188 GLY N . 15788 1 858 . 1 1 190 190 ARG H H 1 8.41 0.01 . 1 . . . . 189 ARG H . 15788 1 859 . 1 1 190 190 ARG C C 13 173.31 0.02 . 1 . . . . 189 ARG CO . 15788 1 860 . 1 1 190 190 ARG CA C 13 54.57 0.1 . 1 . . . . 189 ARG CA . 15788 1 861 . 1 1 190 190 ARG CB C 13 31.15 0.1 . 1 . . . . 189 ARG CB . 15788 1 862 . 1 1 190 190 ARG N N 15 116.43 0.02 . 1 . . . . 189 ARG N . 15788 1 863 . 1 1 197 197 SER H H 1 8.24 0.01 . 1 . . . . 196 SER H . 15788 1 864 . 1 1 197 197 SER C C 13 175.88 0.02 . 1 . . . . 196 SER CO . 15788 1 865 . 1 1 197 197 SER CA C 13 58.9 0.1 . 1 . . . . 196 SER CA . 15788 1 866 . 1 1 197 197 SER CB C 13 64.07 0.1 . 1 . . . . 196 SER CB . 15788 1 867 . 1 1 197 197 SER N N 15 110.5 0.02 . 1 . . . . 196 SER N . 15788 1 868 . 1 1 198 198 GLY H H 1 7.3 0.01 . 1 . . . . 197 GLY H . 15788 1 869 . 1 1 198 198 GLY C C 13 177.86 0.02 . 1 . . . . 197 GLY CO . 15788 1 870 . 1 1 198 198 GLY CA C 13 45.15 0.1 . 1 . . . . 197 GLY CA . 15788 1 871 . 1 1 198 198 GLY N N 15 110.19 0.02 . 1 . . . . 197 GLY N . 15788 1 872 . 1 1 199 199 LYS H H 1 8.12 0.01 . 1 . . . . 198 LYS H . 15788 1 873 . 1 1 199 199 LYS C C 13 174.57 0.02 . 1 . . . . 198 LYS CO . 15788 1 874 . 1 1 199 199 LYS CA C 13 58.76 0.1 . 1 . . . . 198 LYS CA . 15788 1 875 . 1 1 199 199 LYS CB C 13 32.43 0.1 . 1 . . . . 198 LYS CB . 15788 1 876 . 1 1 199 199 LYS N N 15 125.41 0.02 . 1 . . . . 198 LYS N . 15788 1 877 . 1 1 200 200 LEU H H 1 7.45 0.01 . 1 . . . . 199 LEU H . 15788 1 878 . 1 1 200 200 LEU C C 13 175.26 0.02 . 1 . . . . 199 LEU CO . 15788 1 879 . 1 1 200 200 LEU CA C 13 58.73 0.1 . 1 . . . . 199 LEU CA . 15788 1 880 . 1 1 200 200 LEU CB C 13 41.49 0.1 . 1 . . . . 199 LEU CB . 15788 1 881 . 1 1 200 200 LEU N N 15 115.85 0.02 . 1 . . . . 199 LEU N . 15788 1 882 . 1 1 201 201 PHE H H 1 5.61 0.01 . 1 . . . . 200 PHE H . 15788 1 883 . 1 1 201 201 PHE C C 13 174.04 0.02 . 1 . . . . 200 PHE CO . 15788 1 884 . 1 1 201 201 PHE CA C 13 58.84 0.1 . 1 . . . . 200 PHE CA . 15788 1 885 . 1 1 201 201 PHE CB C 13 36.41 0.1 . 1 . . . . 200 PHE CB . 15788 1 886 . 1 1 201 201 PHE N N 15 112.8 0.02 . 1 . . . . 200 PHE N . 15788 1 887 . 1 1 202 202 GLU H H 1 7.43 0.01 . 1 . . . . 201 GLU H . 15788 1 888 . 1 1 202 202 GLU C C 13 171.62 0.02 . 1 . . . . 201 GLU CO . 15788 1 889 . 1 1 202 202 GLU CA C 13 52.68 0.1 . 1 . . . . 201 GLU CA . 15788 1 890 . 1 1 202 202 GLU CB C 13 29.36 0.1 . 1 . . . . 201 GLU CB . 15788 1 891 . 1 1 202 202 GLU N N 15 117.68 0.02 . 1 . . . . 201 GLU N . 15788 1 892 . 1 1 203 203 ASP H H 1 8.66 0.01 . 1 . . . . 202 ASP H . 15788 1 893 . 1 1 203 203 ASP C C 13 172.55 0.02 . 1 . . . . 202 ASP CO . 15788 1 894 . 1 1 203 203 ASP CA C 13 57.39 0.1 . 1 . . . . 202 ASP CA . 15788 1 895 . 1 1 203 203 ASP CB C 13 40.72 0.1 . 1 . . . . 202 ASP CB . 15788 1 896 . 1 1 203 203 ASP N N 15 119.36 0.02 . 1 . . . . 202 ASP N . 15788 1 897 . 1 1 204 204 ILE H H 1 7.39 0.01 . 1 . . . . 203 ILE H . 15788 1 898 . 1 1 204 204 ILE C C 13 175.67 0.02 . 1 . . . . 203 ILE CO . 15788 1 899 . 1 1 204 204 ILE CA C 13 61.59 0.1 . 1 . . . . 203 ILE CA . 15788 1 900 . 1 1 204 204 ILE CB C 13 38 0.1 . 1 . . . . 203 ILE CB . 15788 1 901 . 1 1 204 204 ILE N N 15 109.78 0.02 . 1 . . . . 203 ILE N . 15788 1 902 . 1 1 205 205 GLY H H 1 7.74 0.01 . 1 . . . . 204 GLY H . 15788 1 903 . 1 1 205 205 GLY C C 13 177.34 0.02 . 1 . . . . 204 GLY CO . 15788 1 904 . 1 1 205 205 GLY CA C 13 46.32 0.1 . 1 . . . . 204 GLY CA . 15788 1 905 . 1 1 205 205 GLY N N 15 110.38 0.02 . 1 . . . . 204 GLY N . 15788 1 906 . 1 1 206 206 LEU H H 1 7.82 0.01 . 1 . . . . 205 LEU H . 15788 1 907 . 1 1 206 206 LEU C C 13 178.25 0.02 . 1 . . . . 205 LEU CO . 15788 1 908 . 1 1 206 206 LEU CA C 13 51.97 0.1 . 1 . . . . 205 LEU CA . 15788 1 909 . 1 1 206 206 LEU CB C 13 41.92 0.1 . 1 . . . . 205 LEU CB . 15788 1 910 . 1 1 206 206 LEU N N 15 121.58 0.02 . 1 . . . . 205 LEU N . 15788 1 911 . 1 1 211 211 PRO C C 13 173.14 0.02 . 1 . . . . 210 PRO CO . 15788 1 912 . 1 1 211 211 PRO CA C 13 64.19 0.1 . 1 . . . . 210 PRO CA . 15788 1 913 . 1 1 211 211 PRO CB C 13 31.51 0.1 . 1 . . . . 210 PRO CB . 15788 1 914 . 1 1 212 212 GLN H H 1 8.59 0.01 . 1 . . . . 211 GLN H . 15788 1 915 . 1 1 212 212 GLN C C 13 173.85 0.02 . 1 . . . . 211 GLN CO . 15788 1 916 . 1 1 212 212 GLN CA C 13 59.01 0.1 . 1 . . . . 211 GLN CA . 15788 1 917 . 1 1 212 212 GLN CB C 13 28.3 0.1 . 1 . . . . 211 GLN CB . 15788 1 918 . 1 1 212 212 GLN N N 15 121.3 0.02 . 1 . . . . 211 GLN N . 15788 1 919 . 1 1 213 213 ASP H H 1 7.74 0.01 . 1 . . . . 212 ASP H . 15788 1 920 . 1 1 213 213 ASP C C 13 174.83 0.02 . 1 . . . . 212 ASP CO . 15788 1 921 . 1 1 213 213 ASP CA C 13 55.87 0.1 . 1 . . . . 212 ASP CA . 15788 1 922 . 1 1 213 213 ASP CB C 13 43.86 0.1 . 1 . . . . 212 ASP CB . 15788 1 923 . 1 1 213 213 ASP N N 15 115.29 0.02 . 1 . . . . 212 ASP N . 15788 1 924 . 1 1 214 214 ASP H H 1 8.24 0.01 . 1 . . . . 213 ASP H . 15788 1 925 . 1 1 214 214 ASP C C 13 178.17 0.02 . 1 . . . . 213 ASP CO . 15788 1 926 . 1 1 214 214 ASP CA C 13 56.24 0.1 . 1 . . . . 213 ASP CA . 15788 1 927 . 1 1 214 214 ASP CB C 13 44.34 0.1 . 1 . . . . 213 ASP CB . 15788 1 928 . 1 1 214 214 ASP N N 15 121.94 0.02 . 1 . . . . 213 ASP N . 15788 1 929 . 1 1 215 215 ARG H H 1 9.11 0.01 . 1 . . . . 214 ARG H . 15788 1 930 . 1 1 215 215 ARG C C 13 175.84 0.02 . 1 . . . . 214 ARG CO . 15788 1 931 . 1 1 215 215 ARG CA C 13 51.15 0.1 . 1 . . . . 214 ARG CA . 15788 1 932 . 1 1 215 215 ARG CB C 13 32.41 0.1 . 1 . . . . 214 ARG CB . 15788 1 933 . 1 1 215 215 ARG N N 15 121.06 0.02 . 1 . . . . 214 ARG N . 15788 1 934 . 1 1 216 216 ALA H H 1 8.1 0.01 . 1 . . . . 215 ALA H . 15788 1 935 . 1 1 216 216 ALA C C 13 176.06 0.02 . 1 . . . . 215 ALA CO . 15788 1 936 . 1 1 216 216 ALA CA C 13 50.44 0.1 . 1 . . . . 215 ALA CA . 15788 1 937 . 1 1 216 216 ALA CB C 13 23.22 0.1 . 1 . . . . 215 ALA CB . 15788 1 938 . 1 1 216 216 ALA N N 15 118.56 0.02 . 1 . . . . 215 ALA N . 15788 1 939 . 1 1 217 217 MET H H 1 8.87 0.01 . 1 . . . . 216 MET H . 15788 1 940 . 1 1 217 217 MET C C 13 177.96 0.02 . 1 . . . . 216 MET CO . 15788 1 941 . 1 1 217 217 MET CA C 13 54.98 0.1 . 1 . . . . 216 MET CA . 15788 1 942 . 1 1 217 217 MET CB C 13 36.64 0.1 . 1 . . . . 216 MET CB . 15788 1 943 . 1 1 217 217 MET N N 15 117.22 0.02 . 1 . . . . 216 MET N . 15788 1 944 . 1 1 218 218 ILE H H 1 8.81 0.01 . 1 . . . . 217 ILE H . 15788 1 945 . 1 1 218 218 ILE C C 13 177.35 0.02 . 1 . . . . 217 ILE CO . 15788 1 946 . 1 1 218 218 ILE CA C 13 59.62 0.1 . 1 . . . . 217 ILE CA . 15788 1 947 . 1 1 218 218 ILE CB C 13 39.71 0.1 . 1 . . . . 217 ILE CB . 15788 1 948 . 1 1 218 218 ILE N N 15 121.22 0.02 . 1 . . . . 217 ILE N . 15788 1 949 . 1 1 219 219 CYS H H 1 8.82 0.01 . 1 . . . . 218 CYS H . 15788 1 950 . 1 1 219 219 CYS C C 13 177.44 0.02 . 1 . . . . 218 CYS CO . 15788 1 951 . 1 1 219 219 CYS CA C 13 58.73 0.1 . 1 . . . . 218 CYS CA . 15788 1 952 . 1 1 219 219 CYS CB C 13 28.89 0.1 . 1 . . . . 218 CYS CB . 15788 1 953 . 1 1 219 219 CYS N N 15 127.4 0.02 . 1 . . . . 218 CYS N . 15788 1 954 . 1 1 220 220 GLY H H 1 6.82 0.01 . 1 . . . . 219 GLY H . 15788 1 955 . 1 1 220 220 GLY C C 13 179.35 0.02 . 1 . . . . 219 GLY CO . 15788 1 956 . 1 1 220 220 GLY CA C 13 45.42 0.1 . 1 . . . . 219 GLY CA . 15788 1 957 . 1 1 220 220 GLY N N 15 111.22 0.02 . 1 . . . . 219 GLY N . 15788 1 958 . 1 1 221 221 SER H H 1 7.41 0.01 . 1 . . . . 220 SER H . 15788 1 959 . 1 1 221 221 SER CA C 13 56.06 0.1 . 1 . . . . 220 SER CA . 15788 1 960 . 1 1 221 221 SER CB C 13 62.48 0.1 . 1 . . . . 220 SER CB . 15788 1 961 . 1 1 221 221 SER N N 15 116.96 0.02 . 1 . . . . 220 SER N . 15788 1 962 . 1 1 224 224 MET H H 1 7.66 0.01 . 1 . . . . 223 MET H . 15788 1 963 . 1 1 224 224 MET C C 13 171.44 0.02 . 1 . . . . 223 MET CO . 15788 1 964 . 1 1 224 224 MET CA C 13 58.72 0.1 . 1 . . . . 223 MET CA . 15788 1 965 . 1 1 224 224 MET CB C 13 31.44 0.1 . 1 . . . . 223 MET CB . 15788 1 966 . 1 1 224 224 MET N N 15 126.08 0.02 . 1 . . . . 223 MET N . 15788 1 967 . 1 1 225 225 LEU H H 1 8.82 0.01 . 1 . . . . 224 LEU H . 15788 1 968 . 1 1 225 225 LEU C C 13 171.28 0.02 . 1 . . . . 224 LEU CO . 15788 1 969 . 1 1 225 225 LEU CA C 13 58.88 0.1 . 1 . . . . 224 LEU CA . 15788 1 970 . 1 1 225 225 LEU CB C 13 41.8 0.1 . 1 . . . . 224 LEU CB . 15788 1 971 . 1 1 225 225 LEU N N 15 122.94 0.02 . 1 . . . . 224 LEU N . 15788 1 972 . 1 1 226 226 GLU H H 1 7.64 0.01 . 1 . . . . 225 GLU H . 15788 1 973 . 1 1 226 226 GLU C C 13 172.6 0.02 . 1 . . . . 225 GLU CO . 15788 1 974 . 1 1 226 226 GLU CA C 13 59.44 0.1 . 1 . . . . 225 GLU CA . 15788 1 975 . 1 1 226 226 GLU CB C 13 29.35 0.1 . 1 . . . . 225 GLU CB . 15788 1 976 . 1 1 226 226 GLU N N 15 119.72 0.02 . 1 . . . . 225 GLU N . 15788 1 977 . 1 1 227 227 GLU H H 1 7.94 0.01 . 1 . . . . 226 GLU H . 15788 1 978 . 1 1 227 227 GLU C C 13 172.58 0.02 . 1 . . . . 226 GLU CO . 15788 1 979 . 1 1 227 227 GLU CA C 13 59.01 0.1 . 1 . . . . 226 GLU CA . 15788 1 980 . 1 1 227 227 GLU CB C 13 29.91 0.1 . 1 . . . . 226 GLU CB . 15788 1 981 . 1 1 227 227 GLU N N 15 119.4 0.02 . 1 . . . . 226 GLU N . 15788 1 982 . 1 1 228 228 THR H H 1 8.9 0.01 . 1 . . . . 227 THR H . 15788 1 983 . 1 1 228 228 THR C C 13 175.07 0.02 . 1 . . . . 227 THR CO . 15788 1 984 . 1 1 228 228 THR CA C 13 67 0.1 . 1 . . . . 227 THR CA . 15788 1 985 . 1 1 228 228 THR CB C 13 72.81 0.1 . 1 . . . . 227 THR CB . 15788 1 986 . 1 1 228 228 THR N N 15 116.2 0.02 . 1 . . . . 227 THR N . 15788 1 987 . 1 1 229 229 SER H H 1 8.23 0.01 . 1 . . . . 228 SER H . 15788 1 988 . 1 1 229 229 SER C C 13 177.33 0.02 . 1 . . . . 228 SER CO . 15788 1 989 . 1 1 229 229 SER CA C 13 62.61 0.1 . 1 . . . . 228 SER CA . 15788 1 990 . 1 1 229 229 SER N N 15 118.22 0.02 . 1 . . . . 228 SER N . 15788 1 991 . 1 1 230 230 ALA H H 1 7.09 0.01 . 1 . . . . 229 ALA H . 15788 1 992 . 1 1 230 230 ALA C C 13 170.37 0.02 . 1 . . . . 229 ALA CO . 15788 1 993 . 1 1 230 230 ALA CA C 13 54.97 0.1 . 1 . . . . 229 ALA CA . 15788 1 994 . 1 1 230 230 ALA CB C 13 17.33 0.1 . 1 . . . . 229 ALA CB . 15788 1 995 . 1 1 230 230 ALA N N 15 120.98 0.02 . 1 . . . . 229 ALA N . 15788 1 996 . 1 1 231 231 VAL H H 1 7.34 0.01 . 1 . . . . 230 VAL H . 15788 1 997 . 1 1 231 231 VAL C C 13 173.07 0.02 . 1 . . . . 230 VAL CO . 15788 1 998 . 1 1 231 231 VAL CA C 13 65.94 0.1 . 1 . . . . 230 VAL CA . 15788 1 999 . 1 1 231 231 VAL CB C 13 30.69 0.1 . 1 . . . . 230 VAL CB . 15788 1 1000 . 1 1 231 231 VAL N N 15 119 0.02 . 1 . . . . 230 VAL N . 15788 1 1001 . 1 1 232 232 LEU H H 1 7.98 0.01 . 1 . . . . 231 LEU H . 15788 1 1002 . 1 1 232 232 LEU C C 13 171.68 0.02 . 1 . . . . 231 LEU CO . 15788 1 1003 . 1 1 232 232 LEU CA C 13 58.97 0.1 . 1 . . . . 231 LEU CA . 15788 1 1004 . 1 1 232 232 LEU CB C 13 38.28 0.1 . 1 . . . . 231 LEU CB . 15788 1 1005 . 1 1 232 232 LEU N N 15 121.45 0.02 . 1 . . . . 231 LEU N . 15788 1 1006 . 1 1 233 233 ASP H H 1 8.84 0.01 . 1 . . . . 232 ASP H . 15788 1 1007 . 1 1 233 233 ASP C C 13 169.77 0.02 . 1 . . . . 232 ASP CO . 15788 1 1008 . 1 1 233 233 ASP CA C 13 56.55 0.1 . 1 . . . . 232 ASP CA . 15788 1 1009 . 1 1 233 233 ASP CB C 13 39.64 0.1 . 1 . . . . 232 ASP CB . 15788 1 1010 . 1 1 233 233 ASP N N 15 120.71 0.02 . 1 . . . . 232 ASP N . 15788 1 1011 . 1 1 234 234 SER H H 1 7.7 0.01 . 1 . . . . 233 SER H . 15788 1 1012 . 1 1 234 234 SER C C 13 176.08 0.02 . 1 . . . . 233 SER CO . 15788 1 1013 . 1 1 234 234 SER CA C 13 61.3 0.1 . 1 . . . . 233 SER CA . 15788 1 1014 . 1 1 234 234 SER CB C 13 62.47 0.1 . 1 . . . . 233 SER CB . 15788 1 1015 . 1 1 234 234 SER N N 15 119.01 0.02 . 1 . . . . 233 SER N . 15788 1 1016 . 1 1 235 235 PHE H H 1 7.43 0.01 . 1 . . . . 234 PHE H . 15788 1 1017 . 1 1 235 235 PHE C C 13 175.75 0.02 . 1 . . . . 234 PHE CO . 15788 1 1018 . 1 1 235 235 PHE CA C 13 55.99 0.1 . 1 . . . . 234 PHE CA . 15788 1 1019 . 1 1 235 235 PHE CB C 13 38.49 0.1 . 1 . . . . 234 PHE CB . 15788 1 1020 . 1 1 235 235 PHE N N 15 121.1 0.02 . 1 . . . . 234 PHE N . 15788 1 1021 . 1 1 236 236 GLY H H 1 8.05 0.01 . 1 . . . . 235 GLY H . 15788 1 1022 . 1 1 236 236 GLY C C 13 177.6 0.02 . 1 . . . . 235 GLY CO . 15788 1 1023 . 1 1 236 236 GLY CA C 13 44.65 0.1 . 1 . . . . 235 GLY CA . 15788 1 1024 . 1 1 236 236 GLY N N 15 105.96 0.02 . 1 . . . . 235 GLY N . 15788 1 1025 . 1 1 237 237 LEU H H 1 7.46 0.01 . 1 . . . . 236 LEU H . 15788 1 1026 . 1 1 237 237 LEU C C 13 175.18 0.02 . 1 . . . . 236 LEU CO . 15788 1 1027 . 1 1 237 237 LEU CA C 13 57.36 0.1 . 1 . . . . 236 LEU CA . 15788 1 1028 . 1 1 237 237 LEU CB C 13 42.45 0.1 . 1 . . . . 236 LEU CB . 15788 1 1029 . 1 1 237 237 LEU N N 15 122.26 0.02 . 1 . . . . 236 LEU N . 15788 1 1030 . 1 1 238 238 LYS H H 1 10.25 0.01 . 1 . . . . 237 LYS H . 15788 1 1031 . 1 1 238 238 LYS C C 13 176.25 0.02 . 1 . . . . 237 LYS CO . 15788 1 1032 . 1 1 238 238 LYS CA C 13 54.24 0.1 . 1 . . . . 237 LYS CA . 15788 1 1033 . 1 1 238 238 LYS CB C 13 33.67 0.1 . 1 . . . . 237 LYS CB . 15788 1 1034 . 1 1 238 238 LYS N N 15 121.13 0.02 . 1 . . . . 237 LYS N . 15788 1 1035 . 1 1 239 239 ILE H H 1 8.43 0.01 . 1 . . . . 238 ILE H . 15788 1 1036 . 1 1 239 239 ILE C C 13 175.48 0.02 . 1 . . . . 238 ILE CO . 15788 1 1037 . 1 1 239 239 ILE CA C 13 60.9 0.1 . 1 . . . . 238 ILE CA . 15788 1 1038 . 1 1 239 239 ILE CB C 13 38.48 0.1 . 1 . . . . 238 ILE CB . 15788 1 1039 . 1 1 239 239 ILE N N 15 127.47 0.02 . 1 . . . . 238 ILE N . 15788 1 1040 . 1 1 240 240 SER H H 1 7.59 0.01 . 1 . . . . 239 SER H . 15788 1 1041 . 1 1 240 240 SER C C 13 177.09 0.02 . 1 . . . . 239 SER CO . 15788 1 1042 . 1 1 240 240 SER CA C 13 56.04 0.1 . 1 . . . . 239 SER CA . 15788 1 1043 . 1 1 240 240 SER CB C 13 64.26 0.1 . 1 . . . . 239 SER CB . 15788 1 1044 . 1 1 240 240 SER N N 15 119.29 0.02 . 1 . . . . 239 SER N . 15788 1 1045 . 1 1 241 241 PRO C C 13 175.03 0.02 . 1 . . . . 240 PRO CO . 15788 1 1046 . 1 1 241 241 PRO CA C 13 64.25 0.1 . 1 . . . . 240 PRO CA . 15788 1 1047 . 1 1 241 241 PRO CB C 13 32.3 0.1 . 1 . . . . 240 PRO CB . 15788 1 1048 . 1 1 242 242 ARG H H 1 7.31 0.01 . 1 . . . . 241 ARG H . 15788 1 1049 . 1 1 242 242 ARG C C 13 178.21 0.02 . 1 . . . . 241 ARG CO . 15788 1 1050 . 1 1 242 242 ARG CA C 13 54.7 0.1 . 1 . . . . 241 ARG CA . 15788 1 1051 . 1 1 242 242 ARG CB C 13 30.68 0.1 . 1 . . . . 241 ARG CB . 15788 1 1052 . 1 1 242 242 ARG N N 15 112.37 0.02 . 1 . . . . 241 ARG N . 15788 1 1053 . 1 1 243 243 MET H H 1 8.21 0.01 . 1 . . . . 242 MET H . 15788 1 1054 . 1 1 243 243 MET C C 13 173.87 0.02 . 1 . . . . 242 MET CO . 15788 1 1055 . 1 1 243 243 MET CA C 13 57.49 0.1 . 1 . . . . 242 MET CA . 15788 1 1056 . 1 1 243 243 MET CB C 13 32.68 0.1 . 1 . . . . 242 MET CB . 15788 1 1057 . 1 1 243 243 MET N N 15 119.64 0.02 . 1 . . . . 242 MET N . 15788 1 1058 . 1 1 244 244 GLY H H 1 10.12 0.01 . 1 . . . . 243 GLY H . 15788 1 1059 . 1 1 244 244 GLY C C 13 177.77 0.02 . 1 . . . . 243 GLY CO . 15788 1 1060 . 1 1 244 244 GLY CA C 13 45.18 0.1 . 1 . . . . 243 GLY CA . 15788 1 1061 . 1 1 244 244 GLY N N 15 116.79 0.02 . 1 . . . . 243 GLY N . 15788 1 1062 . 1 1 245 245 GLU H H 1 7.65 0.01 . 1 . . . . 244 GLU H . 15788 1 1063 . 1 1 245 245 GLU C C 13 178.73 0.02 . 1 . . . . 244 GLU CO . 15788 1 1064 . 1 1 245 245 GLU CA C 13 52.85 0.1 . 1 . . . . 244 GLU CA . 15788 1 1065 . 1 1 245 245 GLU CB C 13 31.52 0.1 . 1 . . . . 244 GLU CB . 15788 1 1066 . 1 1 245 245 GLU N N 15 119.19 0.02 . 1 . . . . 244 GLU N . 15788 1 1067 . 1 1 246 246 PRO C C 13 174.38 0.02 . 1 . . . . 245 PRO CO . 15788 1 1068 . 1 1 246 246 PRO CA C 13 62.47 0.1 . 1 . . . . 245 PRO CA . 15788 1 1069 . 1 1 246 246 PRO CB C 13 32 0.1 . 1 . . . . 245 PRO CB . 15788 1 1070 . 1 1 247 247 GLY H H 1 8.23 0.01 . 1 . . . . 246 GLY H . 15788 1 1071 . 1 1 247 247 GLY C C 13 180.1 0.02 . 1 . . . . 246 GLY CO . 15788 1 1072 . 1 1 247 247 GLY CA C 13 44.36 0.1 . 1 . . . . 246 GLY CA . 15788 1 1073 . 1 1 247 247 GLY N N 15 107.27 0.02 . 1 . . . . 246 GLY N . 15788 1 1074 . 1 1 248 248 ASP H H 1 8.81 0.01 . 1 . . . . 247 ASP H . 15788 1 1075 . 1 1 248 248 ASP C C 13 175.9 0.02 . 1 . . . . 247 ASP CO . 15788 1 1076 . 1 1 248 248 ASP CA C 13 55.7 0.1 . 1 . . . . 247 ASP CA . 15788 1 1077 . 1 1 248 248 ASP CB C 13 41.42 0.1 . 1 . . . . 247 ASP CB . 15788 1 1078 . 1 1 248 248 ASP N N 15 119.73 0.02 . 1 . . . . 247 ASP N . 15788 1 1079 . 1 1 249 249 TYR H H 1 7.19 0.01 . 1 . . . . 248 TYR H . 15788 1 1080 . 1 1 249 249 TYR C C 13 180.05 0.02 . 1 . . . . 248 TYR CO . 15788 1 1081 . 1 1 249 249 TYR CA C 13 55.64 0.1 . 1 . . . . 248 TYR CA . 15788 1 1082 . 1 1 249 249 TYR CB C 13 41.24 0.1 . 1 . . . . 248 TYR CB . 15788 1 1083 . 1 1 249 249 TYR N N 15 108.71 0.02 . 1 . . . . 248 TYR N . 15788 1 1084 . 1 1 250 250 LEU H H 1 7.97 0.01 . 1 . . . . 249 LEU H . 15788 1 1085 . 1 1 250 250 LEU C C 13 174.96 0.02 . 1 . . . . 249 LEU CO . 15788 1 1086 . 1 1 250 250 LEU CA C 13 52.84 0.1 . 1 . . . . 249 LEU CA . 15788 1 1087 . 1 1 250 250 LEU CB C 13 47.77 0.1 . 1 . . . . 249 LEU CB . 15788 1 1088 . 1 1 250 250 LEU N N 15 118.74 0.02 . 1 . . . . 249 LEU N . 15788 1 1089 . 1 1 251 251 ILE H H 1 8.32 0.01 . 1 . . . . 250 ILE H . 15788 1 1090 . 1 1 251 251 ILE C C 13 176.38 0.02 . 1 . . . . 250 ILE CO . 15788 1 1091 . 1 1 251 251 ILE CA C 13 58.71 0.1 . 1 . . . . 250 ILE CA . 15788 1 1092 . 1 1 251 251 ILE CB C 13 41.74 0.1 . 1 . . . . 250 ILE CB . 15788 1 1093 . 1 1 251 251 ILE N N 15 111.18 0.02 . 1 . . . . 250 ILE N . 15788 1 1094 . 1 1 252 252 GLU H H 1 8.51 0.01 . 1 . . . . 251 GLU H . 15788 1 1095 . 1 1 252 252 GLU C C 13 178.13 0.02 . 1 . . . . 251 GLU CO . 15788 1 1096 . 1 1 252 252 GLU CA C 13 57.17 0.1 . 1 . . . . 251 GLU CA . 15788 1 1097 . 1 1 252 252 GLU CB C 13 33.93 0.1 . 1 . . . . 251 GLU CB . 15788 1 1098 . 1 1 252 252 GLU N N 15 122.94 0.02 . 1 . . . . 251 GLU N . 15788 1 1099 . 1 1 253 253 ARG H H 1 8.24 0.01 . 1 . . . . 252 ARG H . 15788 1 1100 . 1 1 253 253 ARG C C 13 177.22 0.02 . 1 . . . . 252 ARG CO . 15788 1 1101 . 1 1 253 253 ARG CA C 13 56.27 0.1 . 1 . . . . 252 ARG CA . 15788 1 1102 . 1 1 253 253 ARG CB C 13 29.12 0.1 . 1 . . . . 252 ARG CB . 15788 1 1103 . 1 1 253 253 ARG N N 15 124.62 0.02 . 1 . . . . 252 ARG N . 15788 1 1104 . 1 1 254 254 ALA H H 1 7.64 0.01 . 1 . . . . 253 ALA H . 15788 1 1105 . 1 1 254 254 ALA C C 13 176.63 0.02 . 1 . . . . 253 ALA CO . 15788 1 1106 . 1 1 254 254 ALA CA C 13 51.17 0.1 . 1 . . . . 253 ALA CA . 15788 1 1107 . 1 1 254 254 ALA CB C 13 17.68 0.1 . 1 . . . . 253 ALA CB . 15788 1 1108 . 1 1 254 254 ALA N N 15 121.93 0.02 . 1 . . . . 253 ALA N . 15788 1 1109 . 1 1 255 255 PHE H H 1 6.48 0.01 . 1 . . . . 254 PHE H . 15788 1 1110 . 1 1 255 255 PHE C C 13 179.85 0.02 . 1 . . . . 254 PHE CO . 15788 1 1111 . 1 1 255 255 PHE CA C 13 55.19 0.1 . 1 . . . . 254 PHE CA . 15788 1 1112 . 1 1 255 255 PHE CB C 13 37.04 0.1 . 1 . . . . 254 PHE CB . 15788 1 1113 . 1 1 255 255 PHE N N 15 102.75 0.02 . 1 . . . . 254 PHE N . 15788 1 1114 . 1 1 256 256 VAL H H 1 8.6 0.01 . 1 . . . . 255 VAL H . 15788 1 1115 . 1 1 256 256 VAL C C 13 175.36 0.02 . 1 . . . . 255 VAL CO . 15788 1 1116 . 1 1 256 256 VAL CA C 13 60.87 0.1 . 1 . . . . 255 VAL CA . 15788 1 1117 . 1 1 256 256 VAL CB C 13 33.77 0.1 . 1 . . . . 255 VAL CB . 15788 1 1118 . 1 1 256 256 VAL N N 15 114.91 0.02 . 1 . . . . 255 VAL N . 15788 1 1119 . 1 1 257 257 GLU H H 1 8.34 0.01 . 1 . . . . 256 GLU H . 15788 1 1120 . 1 1 257 257 GLU C C 13 176.24 0.02 . 1 . . . . 256 GLU CO . 15788 1 1121 . 1 1 257 257 GLU CA C 13 56.13 0.1 . 1 . . . . 256 GLU CA . 15788 1 1122 . 1 1 257 257 GLU CB C 13 30.28 0.1 . 1 . . . . 256 GLU CB . 15788 1 1123 . 1 1 257 257 GLU N N 15 126.15 0.02 . 1 . . . . 256 GLU N . 15788 1 1124 . 1 1 258 258 LYS H H 1 8.31 0.01 . 1 . . . . 257 LYS H . 15788 1 1125 . 1 1 258 258 LYS C C 13 170.28 0.02 . 1 . . . . 257 LYS CO . 15788 1 1126 . 1 1 258 258 LYS CA C 13 57.83 0.1 . 1 . . . . 257 LYS CA . 15788 1 1127 . 1 1 258 258 LYS CB C 13 33.31 0.1 . 1 . . . . 257 LYS CB . 15788 1 1128 . 1 1 258 258 LYS N N 15 129.26 0.02 . 1 . . . . 257 LYS N . 15788 1 stop_ save_