data_19616 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19616 _Entry.Title ; Ligand-dependent dynamics of the active-site lid in bacterial dimethylarginine dimethylaminohydrolase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-15 _Entry.Accession_date 2013-11-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paul Driscoll . C. . 19616 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19616 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 486 19616 '15N chemical shifts' 237 19616 '1H chemical shifts' 240 19616 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-04-23 2013-11-15 update BMRB 'update entry citation' 19616 1 . . 2014-02-11 2013-11-15 original author 'original release' 19616 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19615 PaDDAH_TM 19616 stop_ save_ ############### # Citations # ############### save_Journal _Citation.Sf_category citations _Citation.Sf_framecode Journal _Citation.Entry_ID 19616 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24484052 _Citation.Full_citation . _Citation.Title 'Ligand-dependent dynamics of the active-site lid in bacterial dimethylarginine dimethylaminohydrolase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 53 _Citation.Journal_issue 6 _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 1092 _Citation.Page_last 1104 _Citation.Year 2014 _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 Masooma Rasheed . . . 19616 1 2 Christine Richter . . . 19616 1 3 Liisa Chisty . T. . 19616 1 4 John Kirkpatrick . . . 19616 1 5 Martin Blackledge . . . 19616 1 6 Martin Webb . R. . 19616 1 7 Paul Driscoll . C. . 19616 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19616 _Assembly.ID 1 _Assembly.Name 'Dimethylarginine Dimethylaminohydrolase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; MFKHIIARTPARSLVDGLTS SHLGKPDYAKALEQHNAYIE ALQTCDVDITLLPPDERFPD SVFVEDPVLCTSRCAIITRP GAESRRGETEIIEETVQHFY PGKVERIEAPGTVEAGDIMM VGDHFYIGESARTNAEGARQ MIAILEKHGLSGSVVRLEKV LHLKTGLAYLEHNNLLAAGE FVSKPEFQDFNIIEIPEEES YAANCIWVNERVIMPAGYPR TREKIARLGYRVIEVDTSEY RKIDGGVSSMSLRF ; _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 'Dimethylarginine Dimethylaminohydrolase' 1 $Dimethylarginine_Dimethylaminohydrolase A . yes native no no . . 'Cys249Ser Arg98His Arg40Glu' 19616 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dimethylarginine_Dimethylaminohydrolase _Entity.Sf_category entity _Entity.Sf_framecode Dimethylarginine_Dimethylaminohydrolase _Entity.Entry_ID 19616 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dimethylarginine_Dimethylaminohydrolase _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 ; MFKHIIARTPARSLVDGLTS SHLGKPDYAKALEQHNAYIE ALQTCDVDITLLPPDERFPD SVFVEDPVLCTSRCAIITRP GAESRRGETEIIEETVQHFY PGKVERIEAPGTVEAGDIMM VGDHFYIGESARTNAEGARQ MIAILEKHGLSGSVVRLEKV LHLKTGLAYLEHNNLLAAGE FVSKPEFQDFNIIEIPEEES YAANCIWVNERVIMPAGYPR TREKIARLGYRVIEVDTSEY RKIDGGVSSMSLRF ; _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 254 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19615 . PaDDAH_TM . . . . . 100.00 254 100.00 100.00 0.00e+00 . . . . 19616 1 2 no BMRB 19742 . Psuedomonas_aeruginosa_Dimethylarginine_Dimethylaminohydrolase_DDAH . . . . . 100.00 254 99.61 99.61 0.00e+00 . . . . 19616 1 3 no BMRB 19743 . Psuedomonas_aeruginosa_Dimethylarginine_Dimethylaminohydrolase . . . . . 100.00 254 99.61 99.61 0.00e+00 . . . . 19616 1 4 no BMRB 19744 . PaDDAH . . . . . 100.00 254 99.61 99.61 0.00e+00 . . . . 19616 1 5 no PDB 1H70 . "Ddah From Pseudomonas Aeruginosa. C249s Mutant Complexed With Citrulline" . . . . . 100.00 255 99.21 99.21 0.00e+00 . . . . 19616 1 6 no PDB 3BPB . "Crystal Structure Of The Dimethylarginine Dimethylaminohydrolase H162g Adduct With S-Methyl-L- Thiocitrulline" . . . . . 100.00 254 98.43 98.43 0.00e+00 . . . . 19616 1 7 no PDB 3RHY . "Crystal Structure Of The Dimethylarginine Dimethylaminohydrolase Adduct With 4-Chloro-2-Hydroxymethylpyridine" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 8 no DBJ BAK88928 . "hypothetical protein NCGM2_2069 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 9 no DBJ BAP20511 . "hypothetical protein NCGM1900_1389 [Pseudomonas aeruginosa]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 10 no DBJ BAP52091 . "hypothetical protein NCGM1984_4129 [Pseudomonas aeruginosa]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 11 no DBJ BAQ41197 . "hypothetical protein PA257_4611 [Pseudomonas aeruginosa]" . . . . . 100.00 254 98.43 98.43 0.00e+00 . . . . 19616 1 12 no DBJ BAR69052 . "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" . . . . . 100.00 254 98.43 98.43 0.00e+00 . . . . 19616 1 13 no EMBL CAW28868 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 14 no EMBL CCQ86504 . "NG,NG-dimethylarginine dimethylaminohydrolase 1 [Pseudomonas aeruginosa 18A]" . . . . . 100.00 254 98.43 98.43 0.00e+00 . . . . 19616 1 15 no EMBL CDH72250 . "N(G), N(G)-dimethylargininedimethylaminohydrolase [Pseudomonas aeruginosa MH38]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 16 no EMBL CDH78521 . "N(G), N(G)-dimethylargininedimethylaminohydrolase [Pseudomonas aeruginosa MH27]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 17 no EMBL CDI89341 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa PA38182]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 18 no GB AAG04584 . "hypothetical protein PA1195 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 19 no GB ABJ10379 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 20 no GB AEO76319 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa M18]" . . . . . 100.00 254 98.43 98.43 0.00e+00 . . . . 19616 1 21 no GB AFM66206 . "N-Dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa DK2]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 22 no GB AGI82760 . "N-Dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa B136-33]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 23 no REF NP_249886 . "hypothetical protein PA1195 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 24 no REF WP_003082466 . "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" . . . . . 100.00 254 98.43 98.82 0.00e+00 . . . . 19616 1 25 no REF WP_003086612 . "MULTISPECIES: N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas]" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 26 no REF WP_003123128 . "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" . . . . . 100.00 254 98.43 98.82 0.00e+00 . . . . 19616 1 27 no REF WP_003133711 . "MULTISPECIES: N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas]" . . . . . 100.00 254 98.43 98.82 0.00e+00 . . . . 19616 1 28 no SP Q9I4E3 . "RecName: Full=N(G),N(G)-dimethylarginine dimethylaminohydrolase; Short=DDAH; Short=Dimethylarginine dimethylaminohydrolase; Alt" . . . . . 100.00 254 98.82 98.82 0.00e+00 . . . . 19616 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19616 1 2 2 PHE . 19616 1 3 3 LYS . 19616 1 4 4 HIS . 19616 1 5 5 ILE . 19616 1 6 6 ILE . 19616 1 7 7 ALA . 19616 1 8 8 ARG . 19616 1 9 9 THR . 19616 1 10 10 PRO . 19616 1 11 11 ALA . 19616 1 12 12 ARG . 19616 1 13 13 SER . 19616 1 14 14 LEU . 19616 1 15 15 VAL . 19616 1 16 16 ASP . 19616 1 17 17 GLY . 19616 1 18 18 LEU . 19616 1 19 19 THR . 19616 1 20 20 SER . 19616 1 21 21 SER . 19616 1 22 22 HIS . 19616 1 23 23 LEU . 19616 1 24 24 GLY . 19616 1 25 25 LYS . 19616 1 26 26 PRO . 19616 1 27 27 ASP . 19616 1 28 28 TYR . 19616 1 29 29 ALA . 19616 1 30 30 LYS . 19616 1 31 31 ALA . 19616 1 32 32 LEU . 19616 1 33 33 GLU . 19616 1 34 34 GLN . 19616 1 35 35 HIS . 19616 1 36 36 ASN . 19616 1 37 37 ALA . 19616 1 38 38 TYR . 19616 1 39 39 ILE . 19616 1 40 40 GLU . 19616 1 41 41 ALA . 19616 1 42 42 LEU . 19616 1 43 43 GLN . 19616 1 44 44 THR . 19616 1 45 45 CYS . 19616 1 46 46 ASP . 19616 1 47 47 VAL . 19616 1 48 48 ASP . 19616 1 49 49 ILE . 19616 1 50 50 THR . 19616 1 51 51 LEU . 19616 1 52 52 LEU . 19616 1 53 53 PRO . 19616 1 54 54 PRO . 19616 1 55 55 ASP . 19616 1 56 56 GLU . 19616 1 57 57 ARG . 19616 1 58 58 PHE . 19616 1 59 59 PRO . 19616 1 60 60 ASP . 19616 1 61 61 SER . 19616 1 62 62 VAL . 19616 1 63 63 PHE . 19616 1 64 64 VAL . 19616 1 65 65 GLU . 19616 1 66 66 ASP . 19616 1 67 67 PRO . 19616 1 68 68 VAL . 19616 1 69 69 LEU . 19616 1 70 70 CYS . 19616 1 71 71 THR . 19616 1 72 72 SER . 19616 1 73 73 ARG . 19616 1 74 74 CYS . 19616 1 75 75 ALA . 19616 1 76 76 ILE . 19616 1 77 77 ILE . 19616 1 78 78 THR . 19616 1 79 79 ARG . 19616 1 80 80 PRO . 19616 1 81 81 GLY . 19616 1 82 82 ALA . 19616 1 83 83 GLU . 19616 1 84 84 SER . 19616 1 85 85 ARG . 19616 1 86 86 ARG . 19616 1 87 87 GLY . 19616 1 88 88 GLU . 19616 1 89 89 THR . 19616 1 90 90 GLU . 19616 1 91 91 ILE . 19616 1 92 92 ILE . 19616 1 93 93 GLU . 19616 1 94 94 GLU . 19616 1 95 95 THR . 19616 1 96 96 VAL . 19616 1 97 97 GLN . 19616 1 98 98 HIS . 19616 1 99 99 PHE . 19616 1 100 100 TYR . 19616 1 101 101 PRO . 19616 1 102 102 GLY . 19616 1 103 103 LYS . 19616 1 104 104 VAL . 19616 1 105 105 GLU . 19616 1 106 106 ARG . 19616 1 107 107 ILE . 19616 1 108 108 GLU . 19616 1 109 109 ALA . 19616 1 110 110 PRO . 19616 1 111 111 GLY . 19616 1 112 112 THR . 19616 1 113 113 VAL . 19616 1 114 114 GLU . 19616 1 115 115 ALA . 19616 1 116 116 GLY . 19616 1 117 117 ASP . 19616 1 118 118 ILE . 19616 1 119 119 MET . 19616 1 120 120 MET . 19616 1 121 121 VAL . 19616 1 122 122 GLY . 19616 1 123 123 ASP . 19616 1 124 124 HIS . 19616 1 125 125 PHE . 19616 1 126 126 TYR . 19616 1 127 127 ILE . 19616 1 128 128 GLY . 19616 1 129 129 GLU . 19616 1 130 130 SER . 19616 1 131 131 ALA . 19616 1 132 132 ARG . 19616 1 133 133 THR . 19616 1 134 134 ASN . 19616 1 135 135 ALA . 19616 1 136 136 GLU . 19616 1 137 137 GLY . 19616 1 138 138 ALA . 19616 1 139 139 ARG . 19616 1 140 140 GLN . 19616 1 141 141 MET . 19616 1 142 142 ILE . 19616 1 143 143 ALA . 19616 1 144 144 ILE . 19616 1 145 145 LEU . 19616 1 146 146 GLU . 19616 1 147 147 LYS . 19616 1 148 148 HIS . 19616 1 149 149 GLY . 19616 1 150 150 LEU . 19616 1 151 151 SER . 19616 1 152 152 GLY . 19616 1 153 153 SER . 19616 1 154 154 VAL . 19616 1 155 155 VAL . 19616 1 156 156 ARG . 19616 1 157 157 LEU . 19616 1 158 158 GLU . 19616 1 159 159 LYS . 19616 1 160 160 VAL . 19616 1 161 161 LEU . 19616 1 162 162 HIS . 19616 1 163 163 LEU . 19616 1 164 164 LYS . 19616 1 165 165 THR . 19616 1 166 166 GLY . 19616 1 167 167 LEU . 19616 1 168 168 ALA . 19616 1 169 169 TYR . 19616 1 170 170 LEU . 19616 1 171 171 GLU . 19616 1 172 172 HIS . 19616 1 173 173 ASN . 19616 1 174 174 ASN . 19616 1 175 175 LEU . 19616 1 176 176 LEU . 19616 1 177 177 ALA . 19616 1 178 178 ALA . 19616 1 179 179 GLY . 19616 1 180 180 GLU . 19616 1 181 181 PHE . 19616 1 182 182 VAL . 19616 1 183 183 SER . 19616 1 184 184 LYS . 19616 1 185 185 PRO . 19616 1 186 186 GLU . 19616 1 187 187 PHE . 19616 1 188 188 GLN . 19616 1 189 189 ASP . 19616 1 190 190 PHE . 19616 1 191 191 ASN . 19616 1 192 192 ILE . 19616 1 193 193 ILE . 19616 1 194 194 GLU . 19616 1 195 195 ILE . 19616 1 196 196 PRO . 19616 1 197 197 GLU . 19616 1 198 198 GLU . 19616 1 199 199 GLU . 19616 1 200 200 SER . 19616 1 201 201 TYR . 19616 1 202 202 ALA . 19616 1 203 203 ALA . 19616 1 204 204 ASN . 19616 1 205 205 CYS . 19616 1 206 206 ILE . 19616 1 207 207 TRP . 19616 1 208 208 VAL . 19616 1 209 209 ASN . 19616 1 210 210 GLU . 19616 1 211 211 ARG . 19616 1 212 212 VAL . 19616 1 213 213 ILE . 19616 1 214 214 MET . 19616 1 215 215 PRO . 19616 1 216 216 ALA . 19616 1 217 217 GLY . 19616 1 218 218 TYR . 19616 1 219 219 PRO . 19616 1 220 220 ARG . 19616 1 221 221 THR . 19616 1 222 222 ARG . 19616 1 223 223 GLU . 19616 1 224 224 LYS . 19616 1 225 225 ILE . 19616 1 226 226 ALA . 19616 1 227 227 ARG . 19616 1 228 228 LEU . 19616 1 229 229 GLY . 19616 1 230 230 TYR . 19616 1 231 231 ARG . 19616 1 232 232 VAL . 19616 1 233 233 ILE . 19616 1 234 234 GLU . 19616 1 235 235 VAL . 19616 1 236 236 ASP . 19616 1 237 237 THR . 19616 1 238 238 SER . 19616 1 239 239 GLU . 19616 1 240 240 TYR . 19616 1 241 241 ARG . 19616 1 242 242 LYS . 19616 1 243 243 ILE . 19616 1 244 244 ASP . 19616 1 245 245 GLY . 19616 1 246 246 GLY . 19616 1 247 247 VAL . 19616 1 248 248 SER . 19616 1 249 249 SER . 19616 1 250 250 MET . 19616 1 251 251 SER . 19616 1 252 252 LEU . 19616 1 253 253 ARG . 19616 1 254 254 PHE . 19616 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 19616 1 . PHE 2 2 19616 1 . LYS 3 3 19616 1 . HIS 4 4 19616 1 . ILE 5 5 19616 1 . ILE 6 6 19616 1 . ALA 7 7 19616 1 . ARG 8 8 19616 1 . THR 9 9 19616 1 . PRO 10 10 19616 1 . ALA 11 11 19616 1 . ARG 12 12 19616 1 . SER 13 13 19616 1 . LEU 14 14 19616 1 . VAL 15 15 19616 1 . ASP 16 16 19616 1 . GLY 17 17 19616 1 . LEU 18 18 19616 1 . THR 19 19 19616 1 . SER 20 20 19616 1 . SER 21 21 19616 1 . HIS 22 22 19616 1 . LEU 23 23 19616 1 . GLY 24 24 19616 1 . LYS 25 25 19616 1 . PRO 26 26 19616 1 . ASP 27 27 19616 1 . TYR 28 28 19616 1 . ALA 29 29 19616 1 . LYS 30 30 19616 1 . ALA 31 31 19616 1 . LEU 32 32 19616 1 . GLU 33 33 19616 1 . GLN 34 34 19616 1 . HIS 35 35 19616 1 . ASN 36 36 19616 1 . ALA 37 37 19616 1 . TYR 38 38 19616 1 . ILE 39 39 19616 1 . GLU 40 40 19616 1 . ALA 41 41 19616 1 . LEU 42 42 19616 1 . GLN 43 43 19616 1 . THR 44 44 19616 1 . CYS 45 45 19616 1 . ASP 46 46 19616 1 . VAL 47 47 19616 1 . ASP 48 48 19616 1 . ILE 49 49 19616 1 . THR 50 50 19616 1 . LEU 51 51 19616 1 . LEU 52 52 19616 1 . PRO 53 53 19616 1 . PRO 54 54 19616 1 . ASP 55 55 19616 1 . GLU 56 56 19616 1 . ARG 57 57 19616 1 . PHE 58 58 19616 1 . PRO 59 59 19616 1 . ASP 60 60 19616 1 . SER 61 61 19616 1 . VAL 62 62 19616 1 . PHE 63 63 19616 1 . VAL 64 64 19616 1 . GLU 65 65 19616 1 . ASP 66 66 19616 1 . PRO 67 67 19616 1 . VAL 68 68 19616 1 . LEU 69 69 19616 1 . CYS 70 70 19616 1 . THR 71 71 19616 1 . SER 72 72 19616 1 . ARG 73 73 19616 1 . CYS 74 74 19616 1 . ALA 75 75 19616 1 . ILE 76 76 19616 1 . ILE 77 77 19616 1 . THR 78 78 19616 1 . ARG 79 79 19616 1 . PRO 80 80 19616 1 . GLY 81 81 19616 1 . ALA 82 82 19616 1 . GLU 83 83 19616 1 . SER 84 84 19616 1 . ARG 85 85 19616 1 . ARG 86 86 19616 1 . GLY 87 87 19616 1 . GLU 88 88 19616 1 . THR 89 89 19616 1 . GLU 90 90 19616 1 . ILE 91 91 19616 1 . ILE 92 92 19616 1 . GLU 93 93 19616 1 . GLU 94 94 19616 1 . THR 95 95 19616 1 . VAL 96 96 19616 1 . GLN 97 97 19616 1 . HIS 98 98 19616 1 . PHE 99 99 19616 1 . TYR 100 100 19616 1 . PRO 101 101 19616 1 . GLY 102 102 19616 1 . LYS 103 103 19616 1 . VAL 104 104 19616 1 . GLU 105 105 19616 1 . ARG 106 106 19616 1 . ILE 107 107 19616 1 . GLU 108 108 19616 1 . ALA 109 109 19616 1 . PRO 110 110 19616 1 . GLY 111 111 19616 1 . THR 112 112 19616 1 . VAL 113 113 19616 1 . GLU 114 114 19616 1 . ALA 115 115 19616 1 . GLY 116 116 19616 1 . ASP 117 117 19616 1 . ILE 118 118 19616 1 . MET 119 119 19616 1 . MET 120 120 19616 1 . VAL 121 121 19616 1 . GLY 122 122 19616 1 . ASP 123 123 19616 1 . HIS 124 124 19616 1 . PHE 125 125 19616 1 . TYR 126 126 19616 1 . ILE 127 127 19616 1 . GLY 128 128 19616 1 . GLU 129 129 19616 1 . SER 130 130 19616 1 . ALA 131 131 19616 1 . ARG 132 132 19616 1 . THR 133 133 19616 1 . ASN 134 134 19616 1 . ALA 135 135 19616 1 . GLU 136 136 19616 1 . GLY 137 137 19616 1 . ALA 138 138 19616 1 . ARG 139 139 19616 1 . GLN 140 140 19616 1 . MET 141 141 19616 1 . ILE 142 142 19616 1 . ALA 143 143 19616 1 . ILE 144 144 19616 1 . LEU 145 145 19616 1 . GLU 146 146 19616 1 . LYS 147 147 19616 1 . HIS 148 148 19616 1 . GLY 149 149 19616 1 . LEU 150 150 19616 1 . SER 151 151 19616 1 . GLY 152 152 19616 1 . SER 153 153 19616 1 . VAL 154 154 19616 1 . VAL 155 155 19616 1 . ARG 156 156 19616 1 . LEU 157 157 19616 1 . GLU 158 158 19616 1 . LYS 159 159 19616 1 . VAL 160 160 19616 1 . LEU 161 161 19616 1 . HIS 162 162 19616 1 . LEU 163 163 19616 1 . LYS 164 164 19616 1 . THR 165 165 19616 1 . GLY 166 166 19616 1 . LEU 167 167 19616 1 . ALA 168 168 19616 1 . TYR 169 169 19616 1 . LEU 170 170 19616 1 . GLU 171 171 19616 1 . HIS 172 172 19616 1 . ASN 173 173 19616 1 . ASN 174 174 19616 1 . LEU 175 175 19616 1 . LEU 176 176 19616 1 . ALA 177 177 19616 1 . ALA 178 178 19616 1 . GLY 179 179 19616 1 . GLU 180 180 19616 1 . PHE 181 181 19616 1 . VAL 182 182 19616 1 . SER 183 183 19616 1 . LYS 184 184 19616 1 . PRO 185 185 19616 1 . GLU 186 186 19616 1 . PHE 187 187 19616 1 . GLN 188 188 19616 1 . ASP 189 189 19616 1 . PHE 190 190 19616 1 . ASN 191 191 19616 1 . ILE 192 192 19616 1 . ILE 193 193 19616 1 . GLU 194 194 19616 1 . ILE 195 195 19616 1 . PRO 196 196 19616 1 . GLU 197 197 19616 1 . GLU 198 198 19616 1 . GLU 199 199 19616 1 . SER 200 200 19616 1 . TYR 201 201 19616 1 . ALA 202 202 19616 1 . ALA 203 203 19616 1 . ASN 204 204 19616 1 . CYS 205 205 19616 1 . ILE 206 206 19616 1 . TRP 207 207 19616 1 . VAL 208 208 19616 1 . ASN 209 209 19616 1 . GLU 210 210 19616 1 . ARG 211 211 19616 1 . VAL 212 212 19616 1 . ILE 213 213 19616 1 . MET 214 214 19616 1 . PRO 215 215 19616 1 . ALA 216 216 19616 1 . GLY 217 217 19616 1 . TYR 218 218 19616 1 . PRO 219 219 19616 1 . ARG 220 220 19616 1 . THR 221 221 19616 1 . ARG 222 222 19616 1 . GLU 223 223 19616 1 . LYS 224 224 19616 1 . ILE 225 225 19616 1 . ALA 226 226 19616 1 . ARG 227 227 19616 1 . LEU 228 228 19616 1 . GLY 229 229 19616 1 . TYR 230 230 19616 1 . ARG 231 231 19616 1 . VAL 232 232 19616 1 . ILE 233 233 19616 1 . GLU 234 234 19616 1 . VAL 235 235 19616 1 . ASP 236 236 19616 1 . THR 237 237 19616 1 . SER 238 238 19616 1 . GLU 239 239 19616 1 . TYR 240 240 19616 1 . ARG 241 241 19616 1 . LYS 242 242 19616 1 . ILE 243 243 19616 1 . ASP 244 244 19616 1 . GLY 245 245 19616 1 . GLY 246 246 19616 1 . VAL 247 247 19616 1 . SER 248 248 19616 1 . SER 249 249 19616 1 . MET 250 250 19616 1 . SER 251 251 19616 1 . LEU 252 252 19616 1 . ARG 253 253 19616 1 . PHE 254 254 19616 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19616 _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 $Dimethylarginine_Dimethylaminohydrolase . 287 organism . 'Pseudomonas aeruginosa' g-proteobacteria . . Bacteria . Pseudomonas aeruginosa UCBPP-PA14 . . . . . . . . . . . . . . . 'Dimethylarginine Dimethylaminohydrolase' . 'Pseudomonas aeruginosa Dimethylarginine Dimethylaminohydrolase enzyme' . . 19616 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 19616 _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 $Dimethylarginine_Dimethylaminohydrolase . 'recombinant technology' 'Pseudomonas aeruginosa' . . . Pseudomonas aeruginosa 'Escherichia coli' 'Cys249Ser Arg98His Arg40Glu' . . . . . . . . . . . . . . pPROEX-HTa . . . . . . 19616 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19616 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dimethylarginine Dimethylaminohydrolase' '[U-100% 13C; U-100% 15N]' . . 1 $Dimethylarginine_Dimethylaminohydrolase . . 700 . . uM . . . . 19616 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19616 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 19616 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19616 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19616 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19616 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM Sodium Phosphate, 100mM NaCl' 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' 0.1 . M 19616 1 pH 7 . pH 19616 1 pressure 1 . atm 19616 1 temperature 298 . K 19616 1 stop_ save_ ############################ # Computer software used # ############################ save_Ccpnmr_Analysis _Software.Sf_category software _Software.Sf_framecode Ccpnmr_Analysis _Software.Entry_ID 19616 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19616 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19616 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 19616 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19616 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 19616 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 19616 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19616 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19616 1 3 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19616 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19616 1 5 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19616 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19616 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Ccpnmr_Analysis _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19616 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19616 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19616 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19616 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 19616 _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' . . . 19616 1 2 '3D HNCA' . . . 19616 1 3 '3D HN(CO)CA' . . . 19616 1 4 '3D HNCACB' . . . 19616 1 5 '3D CBCA(CO)NH' . . . 19616 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 1 1 MET HE1 H 1 7.628 0.001 . 1 . . . . 1 Met HE1 . 19616 1 2 . 1 1 1 1 MET HE2 H 1 7.628 0.001 . 1 . . . . 1 Met HE2 . 19616 1 3 . 1 1 1 1 MET HE3 H 1 7.628 0.001 . 1 . . . . 1 Met HE3 . 19616 1 4 . 1 1 1 1 MET CA C 13 55.959 0.030 . 1 . . . . 1 Met CA . 19616 1 5 . 1 1 1 1 MET CB C 13 35.799 0.062 . 1 . . . . 1 Met CB . 19616 1 6 . 1 1 1 1 MET N N 15 119.605 0.182 . 1 . . . . 1 Met N . 19616 1 7 . 1 1 2 2 PHE H H 1 9.552 0.014 . 1 . . . . 2 Phe H . 19616 1 8 . 1 1 2 2 PHE CA C 13 55.487 0.013 . 1 . . . . 2 Phe CA . 19616 1 9 . 1 1 2 2 PHE CB C 13 39.874 0.000 . 1 . . . . 2 Phe CB . 19616 1 10 . 1 1 2 2 PHE N N 15 118.673 0.304 . 1 . . . . 2 Phe N . 19616 1 11 . 1 1 3 3 LYS H H 1 9.603 0.009 . 1 . . . . 3 Lys H . 19616 1 12 . 1 1 3 3 LYS CA C 13 56.536 0.000 . 1 . . . . 3 Lys CA . 19616 1 13 . 1 1 3 3 LYS CB C 13 35.061 0.600 . 1 . . . . 3 Lys CB . 19616 1 14 . 1 1 3 3 LYS N N 15 119.027 0.237 . 1 . . . . 3 Lys N . 19616 1 15 . 1 1 4 4 HIS H H 1 8.745 0.008 . 1 . . . . 4 His H . 19616 1 16 . 1 1 4 4 HIS CA C 13 54.404 0.004 . 1 . . . . 4 His CA . 19616 1 17 . 1 1 4 4 HIS CB C 13 32.811 0.000 . 1 . . . . 4 His CB . 19616 1 18 . 1 1 4 4 HIS N N 15 117.849 0.257 . 1 . . . . 4 His N . 19616 1 19 . 1 1 5 5 ILE H H 1 8.081 0.005 . 1 . . . . 5 Ile H . 19616 1 20 . 1 1 5 5 ILE CA C 13 56.227 0.000 . 1 . . . . 5 Ile CA . 19616 1 21 . 1 1 5 5 ILE CB C 13 40.110 0.000 . 1 . . . . 5 Ile CB . 19616 1 22 . 1 1 5 5 ILE N N 15 114.925 0.040 . 1 . . . . 5 Ile N . 19616 1 23 . 1 1 6 6 ILE H H 1 8.602 0.000 . 1 . . . . 6 Ile H . 19616 1 24 . 1 1 6 6 ILE CA C 13 60.032 0.000 . 1 . . . . 6 Ile CA . 19616 1 25 . 1 1 6 6 ILE CB C 13 41.117 0.000 . 1 . . . . 6 Ile CB . 19616 1 26 . 1 1 6 6 ILE N N 15 123.714 0.000 . 1 . . . . 6 Ile N . 19616 1 27 . 1 1 7 7 ALA H H 1 8.971 0.003 . 1 . . . . 7 Ala H . 19616 1 28 . 1 1 7 7 ALA CA C 13 50.789 0.036 . 1 . . . . 7 Ala CA . 19616 1 29 . 1 1 7 7 ALA CB C 13 23.323 0.600 . 1 . . . . 7 Ala CB . 19616 1 30 . 1 1 7 7 ALA N N 15 127.643 0.249 . 1 . . . . 7 Ala N . 19616 1 31 . 1 1 8 8 ARG H H 1 9.927 0.001 . 1 . . . . 8 Arg H . 19616 1 32 . 1 1 8 8 ARG CA C 13 55.723 0.072 . 1 . . . . 8 Arg CA . 19616 1 33 . 1 1 8 8 ARG CB C 13 34.019 0.000 . 1 . . . . 8 Arg CB . 19616 1 34 . 1 1 8 8 ARG N N 15 120.743 0.169 . 1 . . . . 8 Arg N . 19616 1 35 . 1 1 9 9 THR H H 1 7.938 0.005 . 1 . . . . 9 Thr H . 19616 1 36 . 1 1 9 9 THR CA C 13 61.915 0.000 . 1 . . . . 9 Thr CA . 19616 1 37 . 1 1 9 9 THR CB C 13 71.516 0.000 . 1 . . . . 9 Thr CB . 19616 1 38 . 1 1 9 9 THR N N 15 123.061 0.166 . 1 . . . . 9 Thr N . 19616 1 39 . 1 1 10 10 PRO CA C 13 62.013 0.000 . 1 . . . . 10 Pro CA . 19616 1 40 . 1 1 10 10 PRO CB C 13 33.532 0.000 . 1 . . . . 10 Pro CB . 19616 1 41 . 1 1 11 11 ALA H H 1 7.868 0.005 . 1 . . . . 11 Ala H . 19616 1 42 . 1 1 11 11 ALA CA C 13 50.425 0.056 . 1 . . . . 11 Ala CA . 19616 1 43 . 1 1 11 11 ALA CB C 13 19.485 0.000 . 1 . . . . 11 Ala CB . 19616 1 44 . 1 1 11 11 ALA N N 15 123.466 0.271 . 1 . . . . 11 Ala N . 19616 1 45 . 1 1 12 12 ARG H H 1 10.393 0.008 . 1 . . . . 12 Arg H . 19616 1 46 . 1 1 12 12 ARG CA C 13 59.820 0.000 . 1 . . . . 12 Arg CA . 19616 1 47 . 1 1 12 12 ARG CB C 13 28.486 0.076 . 1 . . . . 12 Arg CB . 19616 1 48 . 1 1 12 12 ARG N N 15 122.954 0.006 . 1 . . . . 12 Arg N . 19616 1 49 . 1 1 13 13 SER H H 1 8.634 0.005 . 1 . . . . 13 Ser H . 19616 1 50 . 1 1 13 13 SER CA C 13 58.927 0.014 . 1 . . . . 13 Ser CA . 19616 1 51 . 1 1 13 13 SER CB C 13 62.776 0.128 . 1 . . . . 13 Ser CB . 19616 1 52 . 1 1 13 13 SER N N 15 111.213 0.229 . 1 . . . . 13 Ser N . 19616 1 53 . 1 1 14 14 LEU H H 1 8.029 0.002 . 1 . . . . 14 Leu H . 19616 1 54 . 1 1 14 14 LEU CA C 13 58.507 0.000 . 1 . . . . 14 Leu CA . 19616 1 55 . 1 1 14 14 LEU CB C 13 42.567 0.000 . 1 . . . . 14 Leu CB . 19616 1 56 . 1 1 14 14 LEU N N 15 124.995 0.197 . 1 . . . . 14 Leu N . 19616 1 57 . 1 1 15 15 VAL H H 1 6.740 0.003 . 1 . . . . 15 Val H . 19616 1 58 . 1 1 15 15 VAL CA C 13 64.071 0.030 . 1 . . . . 15 Val CA . 19616 1 59 . 1 1 15 15 VAL CB C 13 31.409 0.000 . 1 . . . . 15 Val CB . 19616 1 60 . 1 1 15 15 VAL N N 15 108.615 0.047 . 1 . . . . 15 Val N . 19616 1 61 . 1 1 16 16 ASP H H 1 8.384 0.002 . 1 . . . . 16 Asp H . 19616 1 62 . 1 1 16 16 ASP CA C 13 54.047 0.090 . 1 . . . . 16 Asp CA . 19616 1 63 . 1 1 16 16 ASP CB C 13 41.043 0.030 . 1 . . . . 16 Asp CB . 19616 1 64 . 1 1 16 16 ASP N N 15 120.102 0.028 . 1 . . . . 16 Asp N . 19616 1 65 . 1 1 17 17 GLY H H 1 8.244 0.011 . 1 . . . . 17 Gly H . 19616 1 66 . 1 1 17 17 GLY CA C 13 45.456 0.004 . 1 . . . . 17 Gly CA . 19616 1 67 . 1 1 17 17 GLY N N 15 108.455 0.239 . 1 . . . . 17 Gly N . 19616 1 68 . 1 1 18 18 LEU H H 1 10.242 0.006 . 1 . . . . 18 Leu H . 19616 1 69 . 1 1 18 18 LEU CA C 13 55.984 0.014 . 1 . . . . 18 Leu CA . 19616 1 70 . 1 1 18 18 LEU CB C 13 42.625 0.142 . 1 . . . . 18 Leu CB . 19616 1 71 . 1 1 18 18 LEU N N 15 126.034 0.053 . 1 . . . . 18 Leu N . 19616 1 72 . 1 1 19 19 THR H H 1 7.921 0.006 . 1 . . . . 19 Thr H . 19616 1 73 . 1 1 19 19 THR CA C 13 60.113 0.019 . 1 . . . . 19 Thr CA . 19616 1 74 . 1 1 19 19 THR CB C 13 69.901 0.000 . 1 . . . . 19 Thr CB . 19616 1 75 . 1 1 19 19 THR N N 15 109.205 0.205 . 1 . . . . 19 Thr N . 19616 1 76 . 1 1 20 20 SER H H 1 9.270 0.004 . 1 . . . . 20 Ser H . 19616 1 77 . 1 1 20 20 SER CA C 13 58.166 0.448 . 1 . . . . 20 Ser CA . 19616 1 78 . 1 1 20 20 SER CB C 13 65.180 0.000 . 1 . . . . 20 Ser CB . 19616 1 79 . 1 1 20 20 SER N N 15 121.951 0.248 . 1 . . . . 20 Ser N . 19616 1 80 . 1 1 21 21 SER H H 1 8.856 0.006 . 1 . . . . 21 Ser H . 19616 1 81 . 1 1 21 21 SER CA C 13 58.743 0.000 . 1 . . . . 21 Ser CA . 19616 1 82 . 1 1 21 21 SER CB C 13 64.561 0.000 . 1 . . . . 21 Ser CB . 19616 1 83 . 1 1 21 21 SER N N 15 119.911 0.207 . 1 . . . . 21 Ser N . 19616 1 84 . 1 1 22 22 HIS CA C 13 55.461 0.000 . 1 . . . . 22 His CA . 19616 1 85 . 1 1 22 22 HIS CB C 13 29.189 0.000 . 1 . . . . 22 His CB . 19616 1 86 . 1 1 23 23 LEU H H 1 8.321 0.007 . 1 . . . . 23 Leu H . 19616 1 87 . 1 1 23 23 LEU CA C 13 54.926 0.026 . 1 . . . . 23 Leu CA . 19616 1 88 . 1 1 23 23 LEU CB C 13 44.415 0.000 . 1 . . . . 23 Leu CB . 19616 1 89 . 1 1 23 23 LEU N N 15 120.313 0.256 . 1 . . . . 23 Leu N . 19616 1 90 . 1 1 24 24 GLY H H 1 8.170 0.001 . 1 . . . . 24 Gly H . 19616 1 91 . 1 1 24 24 GLY CA C 13 43.808 0.000 . 1 . . . . 24 Gly CA . 19616 1 92 . 1 1 24 24 GLY N N 15 107.425 0.004 . 1 . . . . 24 Gly N . 19616 1 93 . 1 1 25 25 LYS H H 1 8.441 0.005 . 1 . . . . 25 Lys H . 19616 1 94 . 1 1 25 25 LYS CA C 13 53.947 0.000 . 1 . . . . 25 Lys CA . 19616 1 95 . 1 1 25 25 LYS CB C 13 33.019 0.000 . 1 . . . . 25 Lys CB . 19616 1 96 . 1 1 25 25 LYS N N 15 116.902 0.014 . 1 . . . . 25 Lys N . 19616 1 97 . 1 1 26 26 PRO CA C 13 63.268 0.000 . 1 . . . . 26 Pro CA . 19616 1 98 . 1 1 26 26 PRO CB C 13 32.716 0.000 . 1 . . . . 26 Pro CB . 19616 1 99 . 1 1 27 27 ASP H H 1 9.023 0.004 . 1 . . . . 27 Asp H . 19616 1 100 . 1 1 27 27 ASP CA C 13 52.491 0.000 . 1 . . . . 27 Asp CA . 19616 1 101 . 1 1 27 27 ASP CB C 13 42.924 0.053 . 1 . . . . 27 Asp CB . 19616 1 102 . 1 1 27 27 ASP N N 15 123.550 0.209 . 1 . . . . 27 Asp N . 19616 1 103 . 1 1 28 28 TYR H H 1 8.921 0.003 . 1 . . . . 28 Tyr H . 19616 1 104 . 1 1 28 28 TYR CA C 13 62.258 0.043 . 1 . . . . 28 Tyr CA . 19616 1 105 . 1 1 28 28 TYR CB C 13 38.747 0.000 . 1 . . . . 28 Tyr CB . 19616 1 106 . 1 1 28 28 TYR N N 15 126.158 0.227 . 1 . . . . 28 Tyr N . 19616 1 107 . 1 1 29 29 ALA H H 1 8.280 0.028 . 1 . . . . 29 Ala H . 19616 1 108 . 1 1 29 29 ALA CA C 13 55.071 0.559 . 1 . . . . 29 Ala CA . 19616 1 109 . 1 1 29 29 ALA CB C 13 17.749 0.000 . 1 . . . . 29 Ala CB . 19616 1 110 . 1 1 29 29 ALA N N 15 119.769 0.420 . 1 . . . . 29 Ala N . 19616 1 111 . 1 1 30 30 LYS H H 1 8.046 0.002 . 1 . . . . 30 Lys H . 19616 1 112 . 1 1 30 30 LYS CA C 13 58.424 0.000 . 1 . . . . 30 Lys CA . 19616 1 113 . 1 1 30 30 LYS CB C 13 32.085 0.000 . 1 . . . . 30 Lys CB . 19616 1 114 . 1 1 30 30 LYS N N 15 118.405 0.030 . 1 . . . . 30 Lys N . 19616 1 115 . 1 1 31 31 ALA H H 1 8.939 0.008 . 1 . . . . 31 Ala H . 19616 1 116 . 1 1 31 31 ALA CA C 13 54.788 0.067 . 1 . . . . 31 Ala CA . 19616 1 117 . 1 1 31 31 ALA CB C 13 17.687 0.104 . 1 . . . . 31 Ala CB . 19616 1 118 . 1 1 31 31 ALA N N 15 122.010 0.139 . 1 . . . . 31 Ala N . 19616 1 119 . 1 1 32 32 LEU H H 1 8.936 0.007 . 1 . . . . 32 Leu H . 19616 1 120 . 1 1 32 32 LEU CA C 13 58.361 0.096 . 1 . . . . 32 Leu CA . 19616 1 121 . 1 1 32 32 LEU CB C 13 41.361 0.000 . 1 . . . . 32 Leu CB . 19616 1 122 . 1 1 32 32 LEU N N 15 125.110 0.179 . 1 . . . . 32 Leu N . 19616 1 123 . 1 1 33 33 GLU H H 1 7.373 0.001 . 1 . . . . 33 Glu H . 19616 1 124 . 1 1 33 33 GLU CA C 13 59.713 0.036 . 1 . . . . 33 Glu CA . 19616 1 125 . 1 1 33 33 GLU CB C 13 29.549 0.000 . 1 . . . . 33 Glu CB . 19616 1 126 . 1 1 33 33 GLU N N 15 118.924 0.001 . 1 . . . . 33 Glu N . 19616 1 127 . 1 1 34 34 GLN H H 1 8.635 0.005 . 1 . . . . 34 Gln H . 19616 1 128 . 1 1 34 34 GLN CA C 13 59.119 0.065 . 1 . . . . 34 Gln CA . 19616 1 129 . 1 1 34 34 GLN CB C 13 28.035 0.259 . 1 . . . . 34 Gln CB . 19616 1 130 . 1 1 34 34 GLN N N 15 118.616 0.055 . 1 . . . . 34 Gln N . 19616 1 131 . 1 1 35 35 HIS H H 1 8.664 0.004 . 1 . . . . 35 His H . 19616 1 132 . 1 1 35 35 HIS CA C 13 63.077 0.000 . 1 . . . . 35 His CA . 19616 1 133 . 1 1 35 35 HIS CB C 13 31.295 0.000 . 1 . . . . 35 His CB . 19616 1 134 . 1 1 35 35 HIS N N 15 121.453 0.189 . 1 . . . . 35 His N . 19616 1 135 . 1 1 36 36 ASN H H 1 8.603 0.004 . 1 . . . . 36 Asn H . 19616 1 136 . 1 1 36 36 ASN CA C 13 56.469 0.000 . 1 . . . . 36 Asn CA . 19616 1 137 . 1 1 36 36 ASN CB C 13 37.875 0.000 . 1 . . . . 36 Asn CB . 19616 1 138 . 1 1 36 36 ASN N N 15 115.261 0.013 . 1 . . . . 36 Asn N . 19616 1 139 . 1 1 37 37 ALA H H 1 8.166 0.025 . 1 . . . . 37 Ala H . 19616 1 140 . 1 1 37 37 ALA CA C 13 55.118 0.000 . 1 . . . . 37 Ala CA . 19616 1 141 . 1 1 37 37 ALA CB C 13 18.128 0.000 . 1 . . . . 37 Ala CB . 19616 1 142 . 1 1 37 37 ALA N N 15 121.292 0.002 . 1 . . . . 37 Ala N . 19616 1 143 . 1 1 38 38 TYR H H 1 8.112 0.013 . 1 . . . . 38 Tyr H . 19616 1 144 . 1 1 38 38 TYR CA C 13 60.773 0.000 . 1 . . . . 38 Tyr CA . 19616 1 145 . 1 1 38 38 TYR CB C 13 40.704 0.000 . 1 . . . . 38 Tyr CB . 19616 1 146 . 1 1 38 38 TYR N N 15 121.605 0.077 . 1 . . . . 38 Tyr N . 19616 1 147 . 1 1 39 39 ILE H H 1 8.318 0.015 . 1 . . . . 39 Ile H . 19616 1 148 . 1 1 39 39 ILE CA C 13 62.205 0.000 . 1 . . . . 39 Ile CA . 19616 1 149 . 1 1 39 39 ILE CB C 13 37.816 0.000 . 1 . . . . 39 Ile CB . 19616 1 150 . 1 1 39 39 ILE N N 15 118.185 0.223 . 1 . . . . 39 Ile N . 19616 1 151 . 1 1 40 40 GLU H H 1 8.269 0.004 . 1 . . . . 40 Glu H . 19616 1 152 . 1 1 40 40 GLU CA C 13 59.603 0.002 . 1 . . . . 40 Glu CA . 19616 1 153 . 1 1 40 40 GLU CB C 13 30.483 0.000 . 1 . . . . 40 Glu CB . 19616 1 154 . 1 1 40 40 GLU N N 15 117.886 0.080 . 1 . . . . 40 Glu N . 19616 1 155 . 1 1 41 41 ALA H H 1 7.778 0.001 . 1 . . . . 41 Ala H . 19616 1 156 . 1 1 41 41 ALA CA C 13 54.419 0.310 . 1 . . . . 41 Ala CA . 19616 1 157 . 1 1 41 41 ALA CB C 13 18.234 0.000 . 1 . . . . 41 Ala CB . 19616 1 158 . 1 1 41 41 ALA N N 15 119.416 0.042 . 1 . . . . 41 Ala N . 19616 1 159 . 1 1 42 42 LEU H H 1 7.901 0.022 . 1 . . . . 42 Leu H . 19616 1 160 . 1 1 42 42 LEU CA C 13 58.354 0.055 . 1 . . . . 42 Leu CA . 19616 1 161 . 1 1 42 42 LEU CB C 13 41.818 0.000 . 1 . . . . 42 Leu CB . 19616 1 162 . 1 1 42 42 LEU N N 15 119.678 0.473 . 1 . . . . 42 Leu N . 19616 1 163 . 1 1 43 43 GLN H H 1 8.283 0.003 . 1 . . . . 43 Gln H . 19616 1 164 . 1 1 43 43 GLN CA C 13 58.149 0.046 . 1 . . . . 43 Gln CA . 19616 1 165 . 1 1 43 43 GLN CB C 13 28.532 0.000 . 1 . . . . 43 Gln CB . 19616 1 166 . 1 1 43 43 GLN N N 15 115.456 0.107 . 1 . . . . 43 Gln N . 19616 1 167 . 1 1 44 44 THR H H 1 7.436 0.005 . 1 . . . . 44 Thr H . 19616 1 168 . 1 1 44 44 THR CA C 13 62.761 0.000 . 1 . . . . 44 Thr CA . 19616 1 169 . 1 1 44 44 THR CB C 13 69.688 0.000 . 1 . . . . 44 Thr CB . 19616 1 170 . 1 1 44 44 THR N N 15 107.608 0.073 . 1 . . . . 44 Thr N . 19616 1 171 . 1 1 45 45 CYS H H 1 7.620 0.002 . 1 . . . . 45 Cys H . 19616 1 172 . 1 1 45 45 CYS CA C 13 59.992 0.060 . 1 . . . . 45 Cys CA . 19616 1 173 . 1 1 45 45 CYS CB C 13 27.322 0.000 . 1 . . . . 45 Cys CB . 19616 1 174 . 1 1 45 45 CYS N N 15 116.591 0.000 . 1 . . . . 45 Cys N . 19616 1 175 . 1 1 46 46 ASP H H 1 8.109 0.005 . 1 . . . . 46 Asp H . 19616 1 176 . 1 1 46 46 ASP CA C 13 55.688 0.317 . 1 . . . . 46 Asp CA . 19616 1 177 . 1 1 46 46 ASP CB C 13 38.618 0.000 . 1 . . . . 46 Asp CB . 19616 1 178 . 1 1 46 46 ASP N N 15 114.587 0.020 . 1 . . . . 46 Asp N . 19616 1 179 . 1 1 47 47 VAL H H 1 6.607 0.016 . 1 . . . . 47 Val H . 19616 1 180 . 1 1 47 47 VAL CA C 13 58.275 0.023 . 1 . . . . 47 Val CA . 19616 1 181 . 1 1 47 47 VAL CB C 13 35.771 0.000 . 1 . . . . 47 Val CB . 19616 1 182 . 1 1 47 47 VAL N N 15 104.309 0.302 . 1 . . . . 47 Val N . 19616 1 183 . 1 1 48 48 ASP H H 1 7.899 0.003 . 1 . . . . 48 Asp H . 19616 1 184 . 1 1 48 48 ASP CA C 13 52.299 0.018 . 1 . . . . 48 Asp CA . 19616 1 185 . 1 1 48 48 ASP CB C 13 42.388 0.000 . 1 . . . . 48 Asp CB . 19616 1 186 . 1 1 48 48 ASP N N 15 118.034 0.228 . 1 . . . . 48 Asp N . 19616 1 187 . 1 1 49 49 ILE H H 1 8.562 0.002 . 1 . . . . 49 Ile H . 19616 1 188 . 1 1 49 49 ILE CA C 13 59.744 0.038 . 1 . . . . 49 Ile CA . 19616 1 189 . 1 1 49 49 ILE CB C 13 39.259 0.182 . 1 . . . . 49 Ile CB . 19616 1 190 . 1 1 49 49 ILE N N 15 119.520 0.101 . 1 . . . . 49 Ile N . 19616 1 191 . 1 1 50 50 THR H H 1 8.802 0.006 . 1 . . . . 50 Thr H . 19616 1 192 . 1 1 50 50 THR CA C 13 63.315 0.071 . 1 . . . . 50 Thr CA . 19616 1 193 . 1 1 50 50 THR CB C 13 69.821 0.000 . 1 . . . . 50 Thr CB . 19616 1 194 . 1 1 50 50 THR N N 15 126.274 0.348 . 1 . . . . 50 Thr N . 19616 1 195 . 1 1 51 51 LEU H H 1 8.870 0.006 . 1 . . . . 51 Leu H . 19616 1 196 . 1 1 51 51 LEU CA C 13 53.036 0.000 . 1 . . . . 51 Leu CA . 19616 1 197 . 1 1 51 51 LEU CB C 13 43.572 0.000 . 1 . . . . 51 Leu CB . 19616 1 198 . 1 1 51 51 LEU N N 15 128.568 0.011 . 1 . . . . 51 Leu N . 19616 1 199 . 1 1 52 52 LEU H H 1 9.469 0.005 . 1 . . . . 52 Leu H . 19616 1 200 . 1 1 52 52 LEU CA C 13 52.583 0.000 . 1 . . . . 52 Leu CA . 19616 1 201 . 1 1 52 52 LEU CB C 13 41.282 0.000 . 1 . . . . 52 Leu CB . 19616 1 202 . 1 1 52 52 LEU N N 15 129.047 0.019 . 1 . . . . 52 Leu N . 19616 1 203 . 1 1 54 54 PRO CA C 13 62.027 0.000 . 1 . . . . 54 Pro CA . 19616 1 204 . 1 1 54 54 PRO CB C 13 32.612 0.000 . 1 . . . . 54 Pro CB . 19616 1 205 . 1 1 55 55 ASP H H 1 8.167 0.002 . 1 . . . . 55 Asp H . 19616 1 206 . 1 1 55 55 ASP CA C 13 53.339 0.010 . 1 . . . . 55 Asp CA . 19616 1 207 . 1 1 55 55 ASP CB C 13 43.705 0.000 . 1 . . . . 55 Asp CB . 19616 1 208 . 1 1 55 55 ASP N N 15 118.348 0.208 . 1 . . . . 55 Asp N . 19616 1 209 . 1 1 56 56 GLU H H 1 8.683 0.001 . 1 . . . . 56 Glu H . 19616 1 210 . 1 1 56 56 GLU CA C 13 57.523 0.034 . 1 . . . . 56 Glu CA . 19616 1 211 . 1 1 56 56 GLU CB C 13 31.010 0.600 . 1 . . . . 56 Glu CB . 19616 1 212 . 1 1 56 56 GLU N N 15 120.841 0.270 . 1 . . . . 56 Glu N . 19616 1 213 . 1 1 57 57 ARG H H 1 8.304 0.003 . 1 . . . . 57 Arg H . 19616 1 214 . 1 1 57 57 ARG CA C 13 57.538 0.000 . 1 . . . . 57 Arg CA . 19616 1 215 . 1 1 57 57 ARG CB C 13 30.443 0.000 . 1 . . . . 57 Arg CB . 19616 1 216 . 1 1 57 57 ARG N N 15 115.422 0.190 . 1 . . . . 57 Arg N . 19616 1 217 . 1 1 58 58 PHE H H 1 7.536 0.019 . 1 . . . . 58 Phe H . 19616 1 218 . 1 1 58 58 PHE CA C 13 55.264 0.000 . 1 . . . . 58 Phe CA . 19616 1 219 . 1 1 58 58 PHE CB C 13 41.753 0.000 . 1 . . . . 58 Phe CB . 19616 1 220 . 1 1 58 58 PHE N N 15 112.634 0.039 . 1 . . . . 58 Phe N . 19616 1 221 . 1 1 59 59 PRO CA C 13 59.910 0.000 . 1 . . . . 59 Pro CA . 19616 1 222 . 1 1 59 59 PRO CB C 13 29.667 0.000 . 1 . . . . 59 Pro CB . 19616 1 223 . 1 1 60 60 ASP H H 1 8.630 0.004 . 1 . . . . 60 Asp H . 19616 1 224 . 1 1 60 60 ASP CA C 13 55.400 0.000 . 1 . . . . 60 Asp CA . 19616 1 225 . 1 1 60 60 ASP CB C 13 43.702 0.600 . 1 . . . . 60 Asp CB . 19616 1 226 . 1 1 60 60 ASP N N 15 110.957 0.184 . 1 . . . . 60 Asp N . 19616 1 227 . 1 1 61 61 SER H H 1 8.402 0.005 . 1 . . . . 61 Ser H . 19616 1 228 . 1 1 61 61 SER CA C 13 61.218 0.000 . 1 . . . . 61 Ser CA . 19616 1 229 . 1 1 61 61 SER CB C 13 63.080 0.000 . 1 . . . . 61 Ser CB . 19616 1 230 . 1 1 61 61 SER N N 15 112.111 0.053 . 1 . . . . 61 Ser N . 19616 1 231 . 1 1 62 62 VAL H H 1 7.039 0.000 . 1 . . . . 62 Val H . 19616 1 232 . 1 1 62 62 VAL CA C 13 62.610 0.000 . 1 . . . . 62 Val CA . 19616 1 233 . 1 1 62 62 VAL CB C 13 31.433 0.000 . 1 . . . . 62 Val CB . 19616 1 234 . 1 1 62 62 VAL N N 15 119.910 0.063 . 1 . . . . 62 Val N . 19616 1 235 . 1 1 63 63 PHE H H 1 8.322 0.002 . 1 . . . . 63 Phe H . 19616 1 236 . 1 1 63 63 PHE CA C 13 55.497 0.000 . 1 . . . . 63 Phe CA . 19616 1 237 . 1 1 63 63 PHE CB C 13 34.329 0.600 . 1 . . . . 63 Phe CB . 19616 1 238 . 1 1 63 63 PHE N N 15 124.026 0.217 . 1 . . . . 63 Phe N . 19616 1 239 . 1 1 64 64 VAL H H 1 7.472 0.002 . 1 . . . . 64 Val H . 19616 1 240 . 1 1 64 64 VAL CA C 13 62.709 0.022 . 1 . . . . 64 Val CA . 19616 1 241 . 1 1 64 64 VAL CB C 13 34.951 0.000 . 1 . . . . 64 Val CB . 19616 1 242 . 1 1 64 64 VAL N N 15 113.481 0.000 . 1 . . . . 64 Val N . 19616 1 243 . 1 1 65 65 GLU H H 1 7.587 0.029 . 1 . . . . 65 Glu H . 19616 1 244 . 1 1 65 65 GLU CA C 13 58.653 0.000 . 1 . . . . 65 Glu CA . 19616 1 245 . 1 1 65 65 GLU CB C 13 31.722 0.600 . 1 . . . . 65 Glu CB . 19616 1 246 . 1 1 65 65 GLU N N 15 115.201 0.100 . 1 . . . . 65 Glu N . 19616 1 247 . 1 1 66 66 ASP H H 1 6.908 0.008 . 1 . . . . 66 Asp H . 19616 1 248 . 1 1 66 66 ASP CA C 13 59.780 0.000 . 1 . . . . 66 Asp CA . 19616 1 249 . 1 1 66 66 ASP CB C 13 40.311 0.000 . 1 . . . . 66 Asp CB . 19616 1 250 . 1 1 66 66 ASP N N 15 107.314 0.265 . 1 . . . . 66 Asp N . 19616 1 251 . 1 1 67 67 PRO CA C 13 65.188 0.000 . 1 . . . . 67 Pro CA . 19616 1 252 . 1 1 67 67 PRO CB C 13 33.371 0.000 . 1 . . . . 67 Pro CB . 19616 1 253 . 1 1 68 68 VAL H H 1 6.897 0.002 . 1 . . . . 68 Val H . 19616 1 254 . 1 1 68 68 VAL CA C 13 59.990 0.062 . 1 . . . . 68 Val CA . 19616 1 255 . 1 1 68 68 VAL CB C 13 36.190 0.000 . 1 . . . . 68 Val CB . 19616 1 256 . 1 1 68 68 VAL N N 15 113.206 0.230 . 1 . . . . 68 Val N . 19616 1 257 . 1 1 69 69 LEU H H 1 8.654 0.010 . 1 . . . . 69 Leu H . 19616 1 258 . 1 1 69 69 LEU CA C 13 53.107 0.023 . 1 . . . . 69 Leu CA . 19616 1 259 . 1 1 69 69 LEU CB C 13 45.631 0.100 . 1 . . . . 69 Leu CB . 19616 1 260 . 1 1 69 69 LEU N N 15 121.447 0.188 . 1 . . . . 69 Leu N . 19616 1 261 . 1 1 70 70 CYS H H 1 10.186 0.010 . 1 . . . . 70 Cys H . 19616 1 262 . 1 1 70 70 CYS CA C 13 59.447 0.111 . 1 . . . . 70 Cys CA . 19616 1 263 . 1 1 70 70 CYS CB C 13 28.237 0.000 . 1 . . . . 70 Cys CB . 19616 1 264 . 1 1 70 70 CYS N N 15 125.841 0.401 . 1 . . . . 70 Cys N . 19616 1 265 . 1 1 71 71 THR H H 1 8.188 0.010 . 1 . . . . 71 Thr H . 19616 1 266 . 1 1 71 71 THR CA C 13 60.112 0.076 . 1 . . . . 71 Thr CA . 19616 1 267 . 1 1 71 71 THR CB C 13 72.635 0.000 . 1 . . . . 71 Thr CB . 19616 1 268 . 1 1 71 71 THR N N 15 114.755 0.018 . 1 . . . . 71 Thr N . 19616 1 269 . 1 1 72 72 SER H H 1 10.111 0.002 . 1 . . . . 72 Ser H . 19616 1 270 . 1 1 72 72 SER CA C 13 60.379 0.022 . 1 . . . . 72 Ser CA . 19616 1 271 . 1 1 72 72 SER CB C 13 63.000 0.000 . 1 . . . . 72 Ser CB . 19616 1 272 . 1 1 72 72 SER N N 15 115.501 0.249 . 1 . . . . 72 Ser N . 19616 1 273 . 1 1 73 73 ARG H H 1 7.980 0.001 . 1 . . . . 73 Arg H . 19616 1 274 . 1 1 73 73 ARG CA C 13 55.809 0.052 . 1 . . . . 73 Arg CA . 19616 1 275 . 1 1 73 73 ARG CB C 13 33.745 0.000 . 1 . . . . 73 Arg CB . 19616 1 276 . 1 1 73 73 ARG N N 15 116.598 0.027 . 1 . . . . 73 Arg N . 19616 1 277 . 1 1 74 74 CYS H H 1 7.157 0.008 . 1 . . . . 74 Cys H . 19616 1 278 . 1 1 74 74 CYS CA C 13 56.555 0.044 . 1 . . . . 74 Cys CA . 19616 1 279 . 1 1 74 74 CYS CB C 13 28.569 0.000 . 1 . . . . 74 Cys CB . 19616 1 280 . 1 1 74 74 CYS N N 15 108.008 0.247 . 1 . . . . 74 Cys N . 19616 1 281 . 1 1 75 75 ALA H H 1 8.248 0.016 . 1 . . . . 75 Ala H . 19616 1 282 . 1 1 75 75 ALA CA C 13 49.726 0.000 . 1 . . . . 75 Ala CA . 19616 1 283 . 1 1 75 75 ALA CB C 13 21.329 0.000 . 1 . . . . 75 Ala CB . 19616 1 284 . 1 1 75 75 ALA N N 15 122.019 0.067 . 1 . . . . 75 Ala N . 19616 1 285 . 1 1 76 76 ILE H H 1 9.118 0.000 . 1 . . . . 76 Ile H . 19616 1 286 . 1 1 76 76 ILE CA C 13 59.991 0.000 . 1 . . . . 76 Ile CA . 19616 1 287 . 1 1 76 76 ILE CB C 13 40.932 0.000 . 1 . . . . 76 Ile CB . 19616 1 288 . 1 1 76 76 ILE N N 15 118.903 0.000 . 1 . . . . 76 Ile N . 19616 1 289 . 1 1 77 77 ILE H H 1 9.083 0.006 . 1 . . . . 77 Ile H . 19616 1 290 . 1 1 77 77 ILE CA C 13 59.564 0.050 . 1 . . . . 77 Ile CA . 19616 1 291 . 1 1 77 77 ILE CB C 13 35.940 0.000 . 1 . . . . 77 Ile CB . 19616 1 292 . 1 1 77 77 ILE N N 15 127.302 0.575 . 1 . . . . 77 Ile N . 19616 1 293 . 1 1 78 78 THR H H 1 8.254 0.004 . 1 . . . . 78 Thr H . 19616 1 294 . 1 1 78 78 THR CA C 13 60.494 0.024 . 1 . . . . 78 Thr CA . 19616 1 295 . 1 1 78 78 THR CB C 13 65.184 0.195 . 1 . . . . 78 Thr CB . 19616 1 296 . 1 1 78 78 THR N N 15 118.256 0.009 . 1 . . . . 78 Thr N . 19616 1 297 . 1 1 79 79 ARG H H 1 7.383 0.004 . 1 . . . . 79 Arg H . 19616 1 298 . 1 1 79 79 ARG CA C 13 55.225 0.000 . 1 . . . . 79 Arg CA . 19616 1 299 . 1 1 79 79 ARG CB C 13 30.103 0.000 . 1 . . . . 79 Arg CB . 19616 1 300 . 1 1 79 79 ARG N N 15 111.198 0.195 . 1 . . . . 79 Arg N . 19616 1 301 . 1 1 80 80 PRO CA C 13 64.312 0.000 . 1 . . . . 80 Pro CA . 19616 1 302 . 1 1 80 80 PRO CB C 13 32.700 0.000 . 1 . . . . 80 Pro CB . 19616 1 303 . 1 1 81 81 GLY H H 1 9.082 0.005 . 1 . . . . 81 Gly H . 19616 1 304 . 1 1 81 81 GLY CA C 13 46.344 0.088 . 1 . . . . 81 Gly CA . 19616 1 305 . 1 1 81 81 GLY N N 15 111.290 0.183 . 1 . . . . 81 Gly N . 19616 1 306 . 1 1 82 82 ALA H H 1 7.385 0.001 . 1 . . . . 82 Ala H . 19616 1 307 . 1 1 82 82 ALA CA C 13 51.512 0.000 . 1 . . . . 82 Ala CA . 19616 1 308 . 1 1 82 82 ALA CB C 13 18.478 0.000 . 1 . . . . 82 Ala CB . 19616 1 309 . 1 1 82 82 ALA N N 15 121.291 0.165 . 1 . . . . 82 Ala N . 19616 1 310 . 1 1 83 83 GLU H H 1 9.220 0.013 . 1 . . . . 83 Glu H . 19616 1 311 . 1 1 83 83 GLU CA C 13 61.497 0.000 . 1 . . . . 83 Glu CA . 19616 1 312 . 1 1 83 83 GLU CB C 13 29.602 0.000 . 1 . . . . 83 Glu CB . 19616 1 313 . 1 1 83 83 GLU N N 15 127.260 0.406 . 1 . . . . 83 Glu N . 19616 1 314 . 1 1 84 84 SER H H 1 8.686 0.034 . 1 . . . . 84 Ser H . 19616 1 315 . 1 1 84 84 SER CA C 13 60.750 0.045 . 1 . . . . 84 Ser CA . 19616 1 316 . 1 1 84 84 SER CB C 13 63.047 0.000 . 1 . . . . 84 Ser CB . 19616 1 317 . 1 1 84 84 SER N N 15 111.038 0.025 . 1 . . . . 84 Ser N . 19616 1 318 . 1 1 85 85 ARG H H 1 7.668 0.002 . 1 . . . . 85 Arg H . 19616 1 319 . 1 1 85 85 ARG CA C 13 56.267 0.000 . 1 . . . . 85 Arg CA . 19616 1 320 . 1 1 85 85 ARG CB C 13 30.368 0.000 . 1 . . . . 85 Arg CB . 19616 1 321 . 1 1 85 85 ARG N N 15 115.781 0.096 . 1 . . . . 85 Arg N . 19616 1 322 . 1 1 86 86 ARG H H 1 7.517 0.005 . 1 . . . . 86 Arg H . 19616 1 323 . 1 1 86 86 ARG CA C 13 61.233 0.000 . 1 . . . . 86 Arg CA . 19616 1 324 . 1 1 86 86 ARG CB C 13 29.132 0.600 . 1 . . . . 86 Arg CB . 19616 1 325 . 1 1 86 86 ARG N N 15 121.028 0.208 . 1 . . . . 86 Arg N . 19616 1 326 . 1 1 87 87 GLY H H 1 9.134 0.005 . 1 . . . . 87 Gly H . 19616 1 327 . 1 1 87 87 GLY CA C 13 46.310 0.000 . 1 . . . . 87 Gly CA . 19616 1 328 . 1 1 87 87 GLY N N 15 102.425 0.019 . 1 . . . . 87 Gly N . 19616 1 329 . 1 1 88 88 GLU H H 1 7.555 0.006 . 1 . . . . 88 Glu H . 19616 1 330 . 1 1 88 88 GLU CA C 13 58.422 0.021 . 1 . . . . 88 Glu CA . 19616 1 331 . 1 1 88 88 GLU CB C 13 31.058 0.000 . 1 . . . . 88 Glu CB . 19616 1 332 . 1 1 88 88 GLU N N 15 117.735 0.207 . 1 . . . . 88 Glu N . 19616 1 333 . 1 1 89 89 THR H H 1 7.458 0.003 . 1 . . . . 89 Thr H . 19616 1 334 . 1 1 89 89 THR CA C 13 64.379 0.000 . 1 . . . . 89 Thr CA . 19616 1 335 . 1 1 89 89 THR CB C 13 66.800 0.000 . 1 . . . . 89 Thr CB . 19616 1 336 . 1 1 89 89 THR N N 15 105.679 0.232 . 1 . . . . 89 Thr N . 19616 1 337 . 1 1 90 90 GLU H H 1 6.924 0.000 . 1 . . . . 90 Glu H . 19616 1 338 . 1 1 90 90 GLU CA C 13 58.129 0.468 . 1 . . . . 90 Glu CA . 19616 1 339 . 1 1 90 90 GLU CB C 13 31.724 0.000 . 1 . . . . 90 Glu CB . 19616 1 340 . 1 1 90 90 GLU N N 15 119.963 0.000 . 1 . . . . 90 Glu N . 19616 1 341 . 1 1 91 91 ILE H H 1 6.590 0.016 . 1 . . . . 91 Ile H . 19616 1 342 . 1 1 91 91 ILE CA C 13 62.495 0.000 . 1 . . . . 91 Ile CA . 19616 1 343 . 1 1 91 91 ILE CB C 13 35.796 0.000 . 1 . . . . 91 Ile CB . 19616 1 344 . 1 1 91 91 ILE N N 15 103.972 0.036 . 1 . . . . 91 Ile N . 19616 1 345 . 1 1 92 92 ILE H H 1 7.279 0.005 . 1 . . . . 92 Ile H . 19616 1 346 . 1 1 92 92 ILE CA C 13 60.669 0.000 . 1 . . . . 92 Ile CA . 19616 1 347 . 1 1 92 92 ILE CB C 13 42.768 0.000 . 1 . . . . 92 Ile CB . 19616 1 348 . 1 1 92 92 ILE N N 15 121.254 0.009 . 1 . . . . 92 Ile N . 19616 1 349 . 1 1 93 93 GLU H H 1 7.219 0.003 . 1 . . . . 93 Glu H . 19616 1 350 . 1 1 93 93 GLU CA C 13 61.006 0.000 . 1 . . . . 93 Glu CA . 19616 1 351 . 1 1 93 93 GLU CB C 13 29.332 0.000 . 1 . . . . 93 Glu CB . 19616 1 352 . 1 1 93 93 GLU N N 15 122.941 0.042 . 1 . . . . 93 Glu N . 19616 1 353 . 1 1 94 94 GLU H H 1 9.126 0.002 . 1 . . . . 94 Glu H . 19616 1 354 . 1 1 94 94 GLU CA C 13 60.194 0.063 . 1 . . . . 94 Glu CA . 19616 1 355 . 1 1 94 94 GLU CB C 13 29.269 0.000 . 1 . . . . 94 Glu CB . 19616 1 356 . 1 1 94 94 GLU N N 15 117.502 0.011 . 1 . . . . 94 Glu N . 19616 1 357 . 1 1 95 95 THR H H 1 7.527 0.004 . 1 . . . . 95 Thr H . 19616 1 358 . 1 1 95 95 THR CA C 13 67.296 0.000 . 1 . . . . 95 Thr CA . 19616 1 359 . 1 1 95 95 THR CB C 13 68.518 0.000 . 1 . . . . 95 Thr CB . 19616 1 360 . 1 1 95 95 THR N N 15 115.342 0.236 . 1 . . . . 95 Thr N . 19616 1 361 . 1 1 96 96 VAL H H 1 7.623 0.002 . 1 . . . . 96 Val H . 19616 1 362 . 1 1 96 96 VAL CA C 13 67.651 0.022 . 1 . . . . 96 Val CA . 19616 1 363 . 1 1 96 96 VAL CB C 13 31.571 0.000 . 1 . . . . 96 Val CB . 19616 1 364 . 1 1 96 96 VAL N N 15 119.106 0.044 . 1 . . . . 96 Val N . 19616 1 365 . 1 1 97 97 GLN H H 1 8.669 0.002 . 1 . . . . 97 Gln H . 19616 1 366 . 1 1 97 97 GLN CA C 13 58.471 0.000 . 1 . . . . 97 Gln CA . 19616 1 367 . 1 1 97 97 GLN CB C 13 29.445 0.000 . 1 . . . . 97 Gln CB . 19616 1 368 . 1 1 97 97 GLN N N 15 117.368 0.000 . 1 . . . . 97 Gln N . 19616 1 369 . 1 1 98 98 HIS H H 1 7.353 0.019 . 1 . . . . 98 His H . 19616 1 370 . 1 1 98 98 HIS CA C 13 59.280 0.000 . 1 . . . . 98 His CA . 19616 1 371 . 1 1 98 98 HIS CB C 13 31.194 0.000 . 1 . . . . 98 His CB . 19616 1 372 . 1 1 98 98 HIS N N 15 114.552 0.031 . 1 . . . . 98 His N . 19616 1 373 . 1 1 99 99 PHE H H 1 7.259 0.003 . 1 . . . . 99 Phe H . 19616 1 374 . 1 1 99 99 PHE CA C 13 60.557 0.000 . 1 . . . . 99 Phe CA . 19616 1 375 . 1 1 99 99 PHE CB C 13 41.813 0.000 . 1 . . . . 99 Phe CB . 19616 1 376 . 1 1 99 99 PHE N N 15 113.509 0.011 . 1 . . . . 99 Phe N . 19616 1 377 . 1 1 100 100 TYR H H 1 8.045 0.004 . 1 . . . . 100 Tyr H . 19616 1 378 . 1 1 100 100 TYR CA C 13 56.502 0.000 . 1 . . . . 100 Tyr CA . 19616 1 379 . 1 1 100 100 TYR CB C 13 38.304 0.000 . 1 . . . . 100 Tyr CB . 19616 1 380 . 1 1 100 100 TYR N N 15 118.308 0.160 . 1 . . . . 100 Tyr N . 19616 1 381 . 1 1 101 101 PRO CA C 13 64.327 0.000 . 1 . . . . 101 Pro CA . 19616 1 382 . 1 1 101 101 PRO CB C 13 31.076 0.000 . 1 . . . . 101 Pro CB . 19616 1 383 . 1 1 102 102 GLY H H 1 8.970 0.016 . 1 . . . . 102 Gly H . 19616 1 384 . 1 1 102 102 GLY CA C 13 46.121 0.000 . 1 . . . . 102 Gly CA . 19616 1 385 . 1 1 102 102 GLY N N 15 112.495 0.128 . 1 . . . . 102 Gly N . 19616 1 386 . 1 1 103 103 LYS H H 1 8.310 0.004 . 1 . . . . 103 Lys H . 19616 1 387 . 1 1 103 103 LYS CA C 13 54.347 0.006 . 1 . . . . 103 Lys CA . 19616 1 388 . 1 1 103 103 LYS CB C 13 33.304 0.600 . 1 . . . . 103 Lys CB . 19616 1 389 . 1 1 103 103 LYS N N 15 120.287 0.230 . 1 . . . . 103 Lys N . 19616 1 390 . 1 1 104 104 VAL H H 1 7.827 0.019 . 1 . . . . 104 Val H . 19616 1 391 . 1 1 104 104 VAL CA C 13 62.226 0.094 . 1 . . . . 104 Val CA . 19616 1 392 . 1 1 104 104 VAL CB C 13 33.886 0.000 . 1 . . . . 104 Val CB . 19616 1 393 . 1 1 104 104 VAL N N 15 118.307 0.092 . 1 . . . . 104 Val N . 19616 1 394 . 1 1 105 105 GLU H H 1 8.969 0.007 . 1 . . . . 105 Glu H . 19616 1 395 . 1 1 105 105 GLU CA C 13 60.130 0.000 . 1 . . . . 105 Glu CA . 19616 1 396 . 1 1 105 105 GLU CB C 13 32.416 0.000 . 1 . . . . 105 Glu CB . 19616 1 397 . 1 1 105 105 GLU N N 15 128.247 0.201 . 1 . . . . 105 Glu N . 19616 1 398 . 1 1 106 106 ARG H H 1 9.021 0.001 . 1 . . . . 106 Arg H . 19616 1 399 . 1 1 106 106 ARG CA C 13 56.722 0.000 . 1 . . . . 106 Arg CA . 19616 1 400 . 1 1 106 106 ARG CB C 13 33.035 0.000 . 1 . . . . 106 Arg CB . 19616 1 401 . 1 1 106 106 ARG N N 15 115.568 0.075 . 1 . . . . 106 Arg N . 19616 1 402 . 1 1 107 107 ILE H H 1 7.576 0.005 . 1 . . . . 107 Ile H . 19616 1 403 . 1 1 107 107 ILE CA C 13 57.049 0.025 . 1 . . . . 107 Ile CA . 19616 1 404 . 1 1 107 107 ILE CB C 13 35.876 0.000 . 1 . . . . 107 Ile CB . 19616 1 405 . 1 1 107 107 ILE N N 15 119.488 0.002 . 1 . . . . 107 Ile N . 19616 1 406 . 1 1 108 108 GLU H H 1 9.504 0.004 . 1 . . . . 108 Glu H . 19616 1 407 . 1 1 108 108 GLU CA C 13 54.290 0.116 . 1 . . . . 108 Glu CA . 19616 1 408 . 1 1 108 108 GLU CB C 13 33.252 0.118 . 1 . . . . 108 Glu CB . 19616 1 409 . 1 1 108 108 GLU N N 15 124.974 0.211 . 1 . . . . 108 Glu N . 19616 1 410 . 1 1 109 109 ALA H H 1 9.198 0.004 . 1 . . . . 109 Ala H . 19616 1 411 . 1 1 109 109 ALA CA C 13 52.283 0.000 . 1 . . . . 109 Ala CA . 19616 1 412 . 1 1 109 109 ALA CB C 13 16.885 0.000 . 1 . . . . 109 Ala CB . 19616 1 413 . 1 1 109 109 ALA N N 15 125.313 0.202 . 1 . . . . 109 Ala N . 19616 1 414 . 1 1 110 110 PRO CA C 13 64.562 0.000 . 1 . . . . 110 Pro CA . 19616 1 415 . 1 1 110 110 PRO CB C 13 33.360 0.000 . 1 . . . . 110 Pro CB . 19616 1 416 . 1 1 111 111 GLY H H 1 9.092 0.002 . 1 . . . . 111 Gly H . 19616 1 417 . 1 1 111 111 GLY CA C 13 45.690 0.000 . 1 . . . . 111 Gly CA . 19616 1 418 . 1 1 111 111 GLY N N 15 112.767 0.005 . 1 . . . . 111 Gly N . 19616 1 419 . 1 1 112 112 THR H H 1 8.653 0.001 . 1 . . . . 112 Thr H . 19616 1 420 . 1 1 112 112 THR CA C 13 61.171 0.000 . 1 . . . . 112 Thr CA . 19616 1 421 . 1 1 112 112 THR CB C 13 70.252 0.000 . 1 . . . . 112 Thr CB . 19616 1 422 . 1 1 112 112 THR N N 15 113.592 0.000 . 1 . . . . 112 Thr N . 19616 1 423 . 1 1 113 113 VAL H H 1 8.404 0.004 . 1 . . . . 113 Val H . 19616 1 424 . 1 1 113 113 VAL CA C 13 60.860 0.053 . 1 . . . . 113 Val CA . 19616 1 425 . 1 1 113 113 VAL CB C 13 37.577 0.000 . 1 . . . . 113 Val CB . 19616 1 426 . 1 1 113 113 VAL N N 15 117.790 0.165 . 1 . . . . 113 Val N . 19616 1 427 . 1 1 114 114 GLU H H 1 8.562 0.011 . 1 . . . . 114 Glu H . 19616 1 428 . 1 1 114 114 GLU CA C 13 54.687 0.001 . 1 . . . . 114 Glu CA . 19616 1 429 . 1 1 114 114 GLU CB C 13 31.933 0.000 . 1 . . . . 114 Glu CB . 19616 1 430 . 1 1 114 114 GLU N N 15 123.797 0.074 . 1 . . . . 114 Glu N . 19616 1 431 . 1 1 115 115 ALA H H 1 9.528 0.018 . 1 . . . . 115 Ala H . 19616 1 432 . 1 1 115 115 ALA CA C 13 55.201 0.179 . 1 . . . . 115 Ala CA . 19616 1 433 . 1 1 115 115 ALA CB C 13 17.803 0.000 . 1 . . . . 115 Ala CB . 19616 1 434 . 1 1 115 115 ALA N N 15 124.707 0.244 . 1 . . . . 115 Ala N . 19616 1 435 . 1 1 116 116 GLY H H 1 8.673 0.005 . 1 . . . . 116 Gly H . 19616 1 436 . 1 1 116 116 GLY CA C 13 47.636 0.055 . 1 . . . . 116 Gly CA . 19616 1 437 . 1 1 116 116 GLY N N 15 109.602 0.214 . 1 . . . . 116 Gly N . 19616 1 438 . 1 1 117 117 ASP H H 1 8.307 0.003 . 1 . . . . 117 Asp H . 19616 1 439 . 1 1 117 117 ASP CA C 13 55.904 0.082 . 1 . . . . 117 Asp CA . 19616 1 440 . 1 1 117 117 ASP CB C 13 40.861 0.000 . 1 . . . . 117 Asp CB . 19616 1 441 . 1 1 117 117 ASP N N 15 116.032 0.216 . 1 . . . . 117 Asp N . 19616 1 442 . 1 1 118 118 ILE H H 1 7.741 0.011 . 1 . . . . 118 Ile H . 19616 1 443 . 1 1 118 118 ILE CA C 13 60.787 0.040 . 1 . . . . 118 Ile CA . 19616 1 444 . 1 1 118 118 ILE CB C 13 39.837 0.000 . 1 . . . . 118 Ile CB . 19616 1 445 . 1 1 118 118 ILE N N 15 118.089 0.157 . 1 . . . . 118 Ile N . 19616 1 446 . 1 1 119 119 MET H H 1 9.226 0.001 . 1 . . . . 119 Met H . 19616 1 447 . 1 1 119 119 MET CA C 13 53.853 0.000 . 1 . . . . 119 Met CA . 19616 1 448 . 1 1 119 119 MET CB C 13 38.268 0.000 . 1 . . . . 119 Met CB . 19616 1 449 . 1 1 119 119 MET N N 15 126.500 0.200 . 1 . . . . 119 Met N . 19616 1 450 . 1 1 120 120 MET H H 1 9.381 0.000 . 1 . . . . 120 Met H . 19616 1 451 . 1 1 120 120 MET CA C 13 55.491 0.008 . 1 . . . . 120 Met CA . 19616 1 452 . 1 1 120 120 MET CB C 13 34.514 0.000 . 1 . . . . 120 Met CB . 19616 1 453 . 1 1 120 120 MET N N 15 129.075 0.007 . 1 . . . . 120 Met N . 19616 1 454 . 1 1 121 121 VAL H H 1 9.272 0.013 . 1 . . . . 121 Val H . 19616 1 455 . 1 1 121 121 VAL CA C 13 60.528 0.062 . 1 . . . . 121 Val CA . 19616 1 456 . 1 1 121 121 VAL CB C 13 32.283 0.000 . 1 . . . . 121 Val CB . 19616 1 457 . 1 1 121 121 VAL N N 15 131.062 0.216 . 1 . . . . 121 Val N . 19616 1 458 . 1 1 122 122 GLY H H 1 9.447 0.001 . 1 . . . . 122 Gly H . 19616 1 459 . 1 1 122 122 GLY CA C 13 47.630 0.000 . 1 . . . . 122 Gly CA . 19616 1 460 . 1 1 122 122 GLY N N 15 119.604 0.011 . 1 . . . . 122 Gly N . 19616 1 461 . 1 1 123 123 ASP H H 1 8.400 0.003 . 1 . . . . 123 Asp H . 19616 1 462 . 1 1 123 123 ASP CA C 13 54.009 0.000 . 1 . . . . 123 Asp CA . 19616 1 463 . 1 1 123 123 ASP CB C 13 41.489 0.000 . 1 . . . . 123 Asp CB . 19616 1 464 . 1 1 123 123 ASP N N 15 125.911 0.000 . 1 . . . . 123 Asp N . 19616 1 465 . 1 1 124 124 HIS H H 1 7.923 0.002 . 1 . . . . 124 His H . 19616 1 466 . 1 1 124 124 HIS CA C 13 54.505 0.041 . 1 . . . . 124 His CA . 19616 1 467 . 1 1 124 124 HIS CB C 13 33.754 0.000 . 1 . . . . 124 His CB . 19616 1 468 . 1 1 124 124 HIS N N 15 118.108 0.012 . 1 . . . . 124 His N . 19616 1 469 . 1 1 125 125 PHE H H 1 7.873 0.003 . 1 . . . . 125 Phe H . 19616 1 470 . 1 1 125 125 PHE CA C 13 55.870 0.012 . 1 . . . . 125 Phe CA . 19616 1 471 . 1 1 125 125 PHE CB C 13 39.728 0.019 . 1 . . . . 125 Phe CB . 19616 1 472 . 1 1 125 125 PHE N N 15 124.027 0.052 . 1 . . . . 125 Phe N . 19616 1 473 . 1 1 126 126 TYR H H 1 8.870 0.001 . 1 . . . . 126 Tyr H . 19616 1 474 . 1 1 126 126 TYR CA C 13 58.319 0.012 . 1 . . . . 126 Tyr CA . 19616 1 475 . 1 1 126 126 TYR CB C 13 39.670 0.000 . 1 . . . . 126 Tyr CB . 19616 1 476 . 1 1 126 126 TYR N N 15 122.057 0.196 . 1 . . . . 126 Tyr N . 19616 1 477 . 1 1 127 127 ILE H H 1 9.314 0.007 . 1 . . . . 127 Ile H . 19616 1 478 . 1 1 127 127 ILE CA C 13 59.921 0.026 . 1 . . . . 127 Ile CA . 19616 1 479 . 1 1 127 127 ILE CB C 13 40.374 0.000 . 1 . . . . 127 Ile CB . 19616 1 480 . 1 1 127 127 ILE N N 15 122.249 0.003 . 1 . . . . 127 Ile N . 19616 1 481 . 1 1 128 128 GLY H H 1 10.491 0.003 . 1 . . . . 128 Gly H . 19616 1 482 . 1 1 128 128 GLY CA C 13 45.580 0.000 . 1 . . . . 128 Gly CA . 19616 1 483 . 1 1 128 128 GLY N N 15 116.245 0.014 . 1 . . . . 128 Gly N . 19616 1 484 . 1 1 129 129 GLU H H 1 8.072 0.000 . 1 . . . . 129 Glu H . 19616 1 485 . 1 1 129 129 GLU CA C 13 55.516 0.000 . 1 . . . . 129 Glu CA . 19616 1 486 . 1 1 129 129 GLU CB C 13 30.672 0.000 . 1 . . . . 129 Glu CB . 19616 1 487 . 1 1 129 129 GLU N N 15 122.230 0.000 . 1 . . . . 129 Glu N . 19616 1 488 . 1 1 130 130 SER H H 1 9.102 0.013 . 1 . . . . 130 Ser H . 19616 1 489 . 1 1 130 130 SER CA C 13 56.466 0.312 . 1 . . . . 130 Ser CA . 19616 1 490 . 1 1 130 130 SER CB C 13 67.661 0.490 . 1 . . . . 130 Ser CB . 19616 1 491 . 1 1 130 130 SER N N 15 124.610 0.365 . 1 . . . . 130 Ser N . 19616 1 492 . 1 1 131 131 ALA H H 1 8.749 0.002 . 1 . . . . 131 Ala H . 19616 1 493 . 1 1 131 131 ALA CA C 13 53.714 0.000 . 1 . . . . 131 Ala CA . 19616 1 494 . 1 1 131 131 ALA CB C 13 18.626 0.000 . 1 . . . . 131 Ala CB . 19616 1 495 . 1 1 131 131 ALA N N 15 119.140 0.006 . 1 . . . . 131 Ala N . 19616 1 496 . 1 1 132 132 ARG H H 1 8.658 0.002 . 1 . . . . 132 Arg H . 19616 1 497 . 1 1 132 132 ARG CA C 13 55.126 0.000 . 1 . . . . 132 Arg CA . 19616 1 498 . 1 1 132 132 ARG CB C 13 31.999 0.000 . 1 . . . . 132 Arg CB . 19616 1 499 . 1 1 132 132 ARG N N 15 115.280 0.017 . 1 . . . . 132 Arg N . 19616 1 500 . 1 1 133 133 THR H H 1 7.794 0.003 . 1 . . . . 133 Thr H . 19616 1 501 . 1 1 133 133 THR CA C 13 61.648 0.000 . 1 . . . . 133 Thr CA . 19616 1 502 . 1 1 133 133 THR CB C 13 69.504 0.000 . 1 . . . . 133 Thr CB . 19616 1 503 . 1 1 133 133 THR N N 15 120.795 0.004 . 1 . . . . 133 Thr N . 19616 1 504 . 1 1 134 134 ASN H H 1 8.178 0.018 . 1 . . . . 134 Asn H . 19616 1 505 . 1 1 134 134 ASN CA C 13 54.241 0.000 . 1 . . . . 134 Asn CA . 19616 1 506 . 1 1 134 134 ASN CB C 13 39.748 0.000 . 1 . . . . 134 Asn CB . 19616 1 507 . 1 1 134 134 ASN N N 15 119.894 0.047 . 1 . . . . 134 Asn N . 19616 1 508 . 1 1 135 135 ALA H H 1 8.484 0.001 . 1 . . . . 135 Ala H . 19616 1 509 . 1 1 135 135 ALA CA C 13 55.499 0.000 . 1 . . . . 135 Ala CA . 19616 1 510 . 1 1 135 135 ALA CB C 13 18.577 0.000 . 1 . . . . 135 Ala CB . 19616 1 511 . 1 1 135 135 ALA N N 15 120.563 0.010 . 1 . . . . 135 Ala N . 19616 1 512 . 1 1 136 136 GLU H H 1 8.581 0.003 . 1 . . . . 136 Glu H . 19616 1 513 . 1 1 136 136 GLU CA C 13 57.787 0.000 . 1 . . . . 136 Glu CA . 19616 1 514 . 1 1 136 136 GLU CB C 13 28.278 0.000 . 1 . . . . 136 Glu CB . 19616 1 515 . 1 1 136 136 GLU N N 15 118.117 0.052 . 1 . . . . 136 Glu N . 19616 1 516 . 1 1 137 137 GLY H H 1 8.888 0.000 . 1 . . . . 137 Gly H . 19616 1 517 . 1 1 137 137 GLY CA C 13 47.280 0.000 . 1 . . . . 137 Gly CA . 19616 1 518 . 1 1 137 137 GLY N N 15 109.413 0.000 . 1 . . . . 137 Gly N . 19616 1 519 . 1 1 138 138 ALA H H 1 8.694 0.007 . 1 . . . . 138 Ala H . 19616 1 520 . 1 1 138 138 ALA CA C 13 55.871 0.058 . 1 . . . . 138 Ala CA . 19616 1 521 . 1 1 138 138 ALA CB C 13 17.873 0.000 . 1 . . . . 138 Ala CB . 19616 1 522 . 1 1 138 138 ALA N N 15 121.522 0.002 . 1 . . . . 138 Ala N . 19616 1 523 . 1 1 139 139 ARG H H 1 8.263 0.002 . 1 . . . . 139 Arg H . 19616 1 524 . 1 1 139 139 ARG CA C 13 59.935 0.064 . 1 . . . . 139 Arg CA . 19616 1 525 . 1 1 139 139 ARG CB C 13 29.440 0.000 . 1 . . . . 139 Arg CB . 19616 1 526 . 1 1 139 139 ARG N N 15 116.569 0.007 . 1 . . . . 139 Arg N . 19616 1 527 . 1 1 140 140 GLN H H 1 8.269 0.006 . 1 . . . . 140 Gln H . 19616 1 528 . 1 1 140 140 GLN CA C 13 59.372 0.060 . 1 . . . . 140 Gln CA . 19616 1 529 . 1 1 140 140 GLN CB C 13 29.942 0.000 . 1 . . . . 140 Gln CB . 19616 1 530 . 1 1 140 140 GLN N N 15 118.043 0.106 . 1 . . . . 140 Gln N . 19616 1 531 . 1 1 141 141 MET H H 1 8.303 0.022 . 1 . . . . 141 Met H . 19616 1 532 . 1 1 141 141 MET CA C 13 56.879 0.011 . 1 . . . . 141 Met CA . 19616 1 533 . 1 1 141 141 MET CB C 13 34.973 0.000 . 1 . . . . 141 Met CB . 19616 1 534 . 1 1 141 141 MET N N 15 116.778 0.006 . 1 . . . . 141 Met N . 19616 1 535 . 1 1 142 142 ILE H H 1 8.393 0.001 . 1 . . . . 142 Ile H . 19616 1 536 . 1 1 142 142 ILE CA C 13 66.542 0.026 . 1 . . . . 142 Ile CA . 19616 1 537 . 1 1 142 142 ILE CB C 13 40.181 0.000 . 1 . . . . 142 Ile CB . 19616 1 538 . 1 1 142 142 ILE N N 15 118.694 0.021 . 1 . . . . 142 Ile N . 19616 1 539 . 1 1 143 143 ALA H H 1 7.674 0.011 . 1 . . . . 143 Ala H . 19616 1 540 . 1 1 143 143 ALA CA C 13 55.294 0.059 . 1 . . . . 143 Ala CA . 19616 1 541 . 1 1 143 143 ALA CB C 13 17.731 0.000 . 1 . . . . 143 Ala CB . 19616 1 542 . 1 1 143 143 ALA N N 15 119.293 0.289 . 1 . . . . 143 Ala N . 19616 1 543 . 1 1 144 144 ILE H H 1 7.936 0.002 . 1 . . . . 144 Ile H . 19616 1 544 . 1 1 144 144 ILE CA C 13 65.777 0.005 . 1 . . . . 144 Ile CA . 19616 1 545 . 1 1 144 144 ILE CB C 13 38.406 0.000 . 1 . . . . 144 Ile CB . 19616 1 546 . 1 1 144 144 ILE N N 15 118.916 0.187 . 1 . . . . 144 Ile N . 19616 1 547 . 1 1 145 145 LEU H H 1 8.397 0.003 . 1 . . . . 145 Leu H . 19616 1 548 . 1 1 145 145 LEU CA C 13 58.666 0.000 . 1 . . . . 145 Leu CA . 19616 1 549 . 1 1 145 145 LEU CB C 13 38.272 0.000 . 1 . . . . 145 Leu CB . 19616 1 550 . 1 1 145 145 LEU N N 15 118.613 0.164 . 1 . . . . 145 Leu N . 19616 1 551 . 1 1 146 146 GLU H H 1 8.688 0.001 . 1 . . . . 146 Glu H . 19616 1 552 . 1 1 146 146 GLU CA C 13 59.084 0.097 . 1 . . . . 146 Glu CA . 19616 1 553 . 1 1 146 146 GLU CB C 13 27.655 0.000 . 1 . . . . 146 Glu CB . 19616 1 554 . 1 1 146 146 GLU N N 15 117.249 0.015 . 1 . . . . 146 Glu N . 19616 1 555 . 1 1 147 147 LYS H H 1 7.754 0.012 . 1 . . . . 147 Lys H . 19616 1 556 . 1 1 147 147 LYS CA C 13 59.560 0.000 . 1 . . . . 147 Lys CA . 19616 1 557 . 1 1 147 147 LYS CB C 13 32.865 0.600 . 1 . . . . 147 Lys CB . 19616 1 558 . 1 1 147 147 LYS N N 15 121.421 0.152 . 1 . . . . 147 Lys N . 19616 1 559 . 1 1 148 148 HIS H H 1 7.369 0.001 . 1 . . . . 148 His H . 19616 1 560 . 1 1 148 148 HIS CA C 13 56.897 0.000 . 1 . . . . 148 His CA . 19616 1 561 . 1 1 148 148 HIS CB C 13 31.170 0.000 . 1 . . . . 148 His CB . 19616 1 562 . 1 1 148 148 HIS N N 15 114.559 0.223 . 1 . . . . 148 His N . 19616 1 563 . 1 1 149 149 GLY H H 1 7.949 0.004 . 1 . . . . 149 Gly H . 19616 1 564 . 1 1 149 149 GLY CA C 13 46.468 0.000 . 1 . . . . 149 Gly CA . 19616 1 565 . 1 1 149 149 GLY N N 15 106.680 0.011 . 1 . . . . 149 Gly N . 19616 1 566 . 1 1 150 150 LEU H H 1 8.160 0.000 . 1 . . . . 150 Leu H . 19616 1 567 . 1 1 150 150 LEU CA C 13 53.056 0.000 . 1 . . . . 150 Leu CA . 19616 1 568 . 1 1 150 150 LEU CB C 13 37.917 0.000 . 1 . . . . 150 Leu CB . 19616 1 569 . 1 1 150 150 LEU N N 15 120.998 0.161 . 1 . . . . 150 Leu N . 19616 1 570 . 1 1 151 151 SER H H 1 8.454 0.007 . 1 . . . . 151 Ser H . 19616 1 571 . 1 1 151 151 SER CA C 13 57.476 0.000 . 1 . . . . 151 Ser CA . 19616 1 572 . 1 1 151 151 SER CB C 13 66.432 0.000 . 1 . . . . 151 Ser CB . 19616 1 573 . 1 1 151 151 SER N N 15 110.862 0.028 . 1 . . . . 151 Ser N . 19616 1 574 . 1 1 152 152 GLY H H 1 8.580 0.038 . 1 . . . . 152 Gly H . 19616 1 575 . 1 1 152 152 GLY CA C 13 45.600 0.000 . 1 . . . . 152 Gly CA . 19616 1 576 . 1 1 152 152 GLY N N 15 103.770 0.169 . 1 . . . . 152 Gly N . 19616 1 577 . 1 1 153 153 SER H H 1 8.373 0.002 . 1 . . . . 153 Ser H . 19616 1 578 . 1 1 153 153 SER CA C 13 57.523 0.080 . 1 . . . . 153 Ser CA . 19616 1 579 . 1 1 153 153 SER CB C 13 64.984 0.000 . 1 . . . . 153 Ser CB . 19616 1 580 . 1 1 153 153 SER N N 15 112.221 0.009 . 1 . . . . 153 Ser N . 19616 1 581 . 1 1 154 154 VAL H H 1 8.551 0.002 . 1 . . . . 154 Val H . 19616 1 582 . 1 1 154 154 VAL CA C 13 61.614 0.079 . 1 . . . . 154 Val CA . 19616 1 583 . 1 1 154 154 VAL CB C 13 33.957 0.000 . 1 . . . . 154 Val CB . 19616 1 584 . 1 1 154 154 VAL N N 15 118.989 0.010 . 1 . . . . 154 Val N . 19616 1 585 . 1 1 155 155 VAL H H 1 9.242 0.005 . 1 . . . . 155 Val H . 19616 1 586 . 1 1 155 155 VAL CA C 13 60.508 0.003 . 1 . . . . 155 Val CA . 19616 1 587 . 1 1 155 155 VAL CB C 13 35.044 0.040 . 1 . . . . 155 Val CB . 19616 1 588 . 1 1 155 155 VAL N N 15 127.868 0.204 . 1 . . . . 155 Val N . 19616 1 589 . 1 1 156 156 ARG H H 1 8.800 0.004 . 1 . . . . 156 Arg H . 19616 1 590 . 1 1 156 156 ARG CA C 13 57.005 0.015 . 1 . . . . 156 Arg CA . 19616 1 591 . 1 1 156 156 ARG CB C 13 30.675 0.000 . 1 . . . . 156 Arg CB . 19616 1 592 . 1 1 156 156 ARG N N 15 126.002 0.220 . 1 . . . . 156 Arg N . 19616 1 593 . 1 1 157 157 LEU H H 1 8.142 0.009 . 1 . . . . 157 Leu H . 19616 1 594 . 1 1 157 157 LEU CA C 13 54.464 0.097 . 1 . . . . 157 Leu CA . 19616 1 595 . 1 1 157 157 LEU CB C 13 45.216 0.000 . 1 . . . . 157 Leu CB . 19616 1 596 . 1 1 157 157 LEU N N 15 120.002 0.288 . 1 . . . . 157 Leu N . 19616 1 597 . 1 1 158 158 GLU H H 1 10.668 0.005 . 1 . . . . 158 Glu H . 19616 1 598 . 1 1 158 158 GLU CA C 13 57.379 0.009 . 1 . . . . 158 Glu CA . 19616 1 599 . 1 1 158 158 GLU CB C 13 33.883 0.000 . 1 . . . . 158 Glu CB . 19616 1 600 . 1 1 158 158 GLU N N 15 118.609 0.091 . 1 . . . . 158 Glu N . 19616 1 601 . 1 1 159 159 LYS H H 1 9.606 0.005 . 1 . . . . 159 Lys H . 19616 1 602 . 1 1 159 159 LYS CA C 13 57.389 0.000 . 1 . . . . 159 Lys CA . 19616 1 603 . 1 1 159 159 LYS CB C 13 33.926 0.000 . 1 . . . . 159 Lys CB . 19616 1 604 . 1 1 159 159 LYS N N 15 117.134 0.249 . 1 . . . . 159 Lys N . 19616 1 605 . 1 1 160 160 VAL H H 1 6.943 0.006 . 1 . . . . 160 Val H . 19616 1 606 . 1 1 160 160 VAL CA C 13 59.289 0.036 . 1 . . . . 160 Val CA . 19616 1 607 . 1 1 160 160 VAL CB C 13 35.731 0.000 . 1 . . . . 160 Val CB . 19616 1 608 . 1 1 160 160 VAL N N 15 108.387 0.027 . 1 . . . . 160 Val N . 19616 1 609 . 1 1 161 161 LEU H H 1 8.028 0.002 . 1 . . . . 161 Leu H . 19616 1 610 . 1 1 161 161 LEU CA C 13 57.917 0.000 . 1 . . . . 161 Leu CA . 19616 1 611 . 1 1 161 161 LEU CB C 13 42.230 0.082 . 1 . . . . 161 Leu CB . 19616 1 612 . 1 1 161 161 LEU N N 15 119.162 0.010 . 1 . . . . 161 Leu N . 19616 1 613 . 1 1 162 162 HIS H H 1 7.133 0.006 . 1 . . . . 162 His H . 19616 1 614 . 1 1 162 162 HIS CA C 13 52.241 0.074 . 1 . . . . 162 His CA . 19616 1 615 . 1 1 162 162 HIS CB C 13 33.436 0.082 . 1 . . . . 162 His CB . 19616 1 616 . 1 1 162 162 HIS N N 15 103.986 0.253 . 1 . . . . 162 His N . 19616 1 617 . 1 1 163 163 LEU H H 1 10.042 0.004 . 1 . . . . 163 Leu H . 19616 1 618 . 1 1 163 163 LEU CA C 13 59.521 0.095 . 1 . . . . 163 Leu CA . 19616 1 619 . 1 1 163 163 LEU CB C 13 44.808 0.038 . 1 . . . . 163 Leu CB . 19616 1 620 . 1 1 163 163 LEU N N 15 122.396 0.202 . 1 . . . . 163 Leu N . 19616 1 621 . 1 1 164 164 LYS H H 1 7.367 0.002 . 1 . . . . 164 Lys H . 19616 1 622 . 1 1 164 164 LYS CA C 13 59.358 0.062 . 1 . . . . 164 Lys CA . 19616 1 623 . 1 1 164 164 LYS CB C 13 33.240 0.000 . 1 . . . . 164 Lys CB . 19616 1 624 . 1 1 164 164 LYS N N 15 106.417 0.182 . 1 . . . . 164 Lys N . 19616 1 625 . 1 1 165 165 THR H H 1 8.078 0.006 . 1 . . . . 165 Thr H . 19616 1 626 . 1 1 165 165 THR CA C 13 67.325 0.000 . 1 . . . . 165 Thr CA . 19616 1 627 . 1 1 165 165 THR CB C 13 69.020 0.000 . 1 . . . . 165 Thr CB . 19616 1 628 . 1 1 165 165 THR N N 15 114.627 0.194 . 1 . . . . 165 Thr N . 19616 1 629 . 1 1 166 166 GLY H H 1 7.457 0.006 . 1 . . . . 166 Gly H . 19616 1 630 . 1 1 166 166 GLY CA C 13 45.700 0.000 . 1 . . . . 166 Gly CA . 19616 1 631 . 1 1 166 166 GLY N N 15 103.880 0.029 . 1 . . . . 166 Gly N . 19616 1 632 . 1 1 167 167 LEU H H 1 6.526 0.010 . 1 . . . . 167 Leu H . 19616 1 633 . 1 1 167 167 LEU CA C 13 53.572 0.031 . 1 . . . . 167 Leu CA . 19616 1 634 . 1 1 167 167 LEU CB C 13 49.803 0.000 . 1 . . . . 167 Leu CB . 19616 1 635 . 1 1 167 167 LEU N N 15 119.933 0.004 . 1 . . . . 167 Leu N . 19616 1 636 . 1 1 168 168 ALA H H 1 8.003 0.002 . 1 . . . . 168 Ala H . 19616 1 637 . 1 1 168 168 ALA CA C 13 52.696 0.107 . 1 . . . . 168 Ala CA . 19616 1 638 . 1 1 168 168 ALA CB C 13 23.948 0.000 . 1 . . . . 168 Ala CB . 19616 1 639 . 1 1 168 168 ALA N N 15 117.768 0.120 . 1 . . . . 168 Ala N . 19616 1 640 . 1 1 169 169 TYR H H 1 10.041 0.008 . 1 . . . . 169 Tyr H . 19616 1 641 . 1 1 169 169 TYR CA C 13 57.437 0.008 . 1 . . . . 169 Tyr CA . 19616 1 642 . 1 1 169 169 TYR CB C 13 37.590 0.086 . 1 . . . . 169 Tyr CB . 19616 1 643 . 1 1 169 169 TYR N N 15 122.108 0.330 . 1 . . . . 169 Tyr N . 19616 1 644 . 1 1 170 170 LEU H H 1 8.619 0.003 . 1 . . . . 170 Leu H . 19616 1 645 . 1 1 170 170 LEU CA C 13 52.768 0.000 . 1 . . . . 170 Leu CA . 19616 1 646 . 1 1 170 170 LEU CB C 13 40.806 0.000 . 1 . . . . 170 Leu CB . 19616 1 647 . 1 1 170 170 LEU N N 15 128.419 0.204 . 1 . . . . 170 Leu N . 19616 1 648 . 1 1 171 171 GLU CA C 13 58.040 0.000 . 1 . . . . 171 Glu CA . 19616 1 649 . 1 1 171 171 GLU CB C 13 29.403 0.000 . 1 . . . . 171 Glu CB . 19616 1 650 . 1 1 172 172 HIS H H 1 8.675 0.001 . 1 . . . . 172 His H . 19616 1 651 . 1 1 172 172 HIS CA C 13 55.737 0.000 . 1 . . . . 172 His CA . 19616 1 652 . 1 1 172 172 HIS CB C 13 27.008 0.517 . 1 . . . . 172 His CB . 19616 1 653 . 1 1 172 172 HIS N N 15 110.612 0.017 . 1 . . . . 172 His N . 19616 1 654 . 1 1 173 173 ASN H H 1 8.142 0.014 . 1 . . . . 173 Asn H . 19616 1 655 . 1 1 173 173 ASN CA C 13 54.696 0.400 . 1 . . . . 173 Asn CA . 19616 1 656 . 1 1 173 173 ASN CB C 13 39.981 0.000 . 1 . . . . 173 Asn CB . 19616 1 657 . 1 1 173 173 ASN N N 15 107.492 0.365 . 1 . . . . 173 Asn N . 19616 1 658 . 1 1 174 174 ASN H H 1 7.724 0.001 . 1 . . . . 174 Asn H . 19616 1 659 . 1 1 174 174 ASN CA C 13 53.662 0.006 . 1 . . . . 174 Asn CA . 19616 1 660 . 1 1 174 174 ASN CB C 13 39.461 0.000 . 1 . . . . 174 Asn CB . 19616 1 661 . 1 1 174 174 ASN N N 15 118.426 0.015 . 1 . . . . 174 Asn N . 19616 1 662 . 1 1 175 175 LEU H H 1 8.800 0.005 . 1 . . . . 175 Leu H . 19616 1 663 . 1 1 175 175 LEU CA C 13 52.904 0.081 . 1 . . . . 175 Leu CA . 19616 1 664 . 1 1 175 175 LEU CB C 13 47.855 0.172 . 1 . . . . 175 Leu CB . 19616 1 665 . 1 1 175 175 LEU N N 15 127.256 0.203 . 1 . . . . 175 Leu N . 19616 1 666 . 1 1 176 176 LEU H H 1 9.383 0.007 . 1 . . . . 176 Leu H . 19616 1 667 . 1 1 176 176 LEU CA C 13 54.337 0.029 . 1 . . . . 176 Leu CA . 19616 1 668 . 1 1 176 176 LEU CB C 13 42.032 0.000 . 1 . . . . 176 Leu CB . 19616 1 669 . 1 1 176 176 LEU N N 15 125.500 0.197 . 1 . . . . 176 Leu N . 19616 1 670 . 1 1 177 177 ALA H H 1 8.096 0.007 . 1 . . . . 177 Ala H . 19616 1 671 . 1 1 177 177 ALA CA C 13 51.081 0.000 . 1 . . . . 177 Ala CA . 19616 1 672 . 1 1 177 177 ALA CB C 13 23.557 0.000 . 1 . . . . 177 Ala CB . 19616 1 673 . 1 1 177 177 ALA N N 15 119.825 0.004 . 1 . . . . 177 Ala N . 19616 1 674 . 1 1 178 178 ALA H H 1 8.616 0.004 . 1 . . . . 178 Ala H . 19616 1 675 . 1 1 178 178 ALA CA C 13 49.315 0.000 . 1 . . . . 178 Ala CA . 19616 1 676 . 1 1 178 178 ALA CB C 13 23.808 0.000 . 1 . . . . 178 Ala CB . 19616 1 677 . 1 1 178 178 ALA N N 15 120.930 0.195 . 1 . . . . 178 Ala N . 19616 1 678 . 1 1 179 179 GLY H H 1 8.864 0.011 . 1 . . . . 179 Gly H . 19616 1 679 . 1 1 179 179 GLY CA C 13 47.576 0.000 . 1 . . . . 179 Gly CA . 19616 1 680 . 1 1 179 179 GLY N N 15 107.365 0.234 . 1 . . . . 179 Gly N . 19616 1 681 . 1 1 180 180 GLU H H 1 9.145 0.003 . 1 . . . . 180 Glu H . 19616 1 682 . 1 1 180 180 GLU CA C 13 57.360 0.000 . 1 . . . . 180 Glu CA . 19616 1 683 . 1 1 180 180 GLU CB C 13 30.001 0.000 . 1 . . . . 180 Glu CB . 19616 1 684 . 1 1 180 180 GLU N N 15 124.090 0.104 . 1 . . . . 180 Glu N . 19616 1 685 . 1 1 181 181 PHE H H 1 7.361 0.001 . 1 . . . . 181 Phe H . 19616 1 686 . 1 1 181 181 PHE CA C 13 60.183 0.078 . 1 . . . . 181 Phe CA . 19616 1 687 . 1 1 181 181 PHE CB C 13 40.385 0.000 . 1 . . . . 181 Phe CB . 19616 1 688 . 1 1 181 181 PHE N N 15 115.857 0.003 . 1 . . . . 181 Phe N . 19616 1 689 . 1 1 182 182 VAL H H 1 6.924 0.002 . 1 . . . . 182 Val H . 19616 1 690 . 1 1 182 182 VAL CA C 13 66.238 0.000 . 1 . . . . 182 Val CA . 19616 1 691 . 1 1 182 182 VAL CB C 13 32.393 0.000 . 1 . . . . 182 Val CB . 19616 1 692 . 1 1 182 182 VAL N N 15 113.321 0.002 . 1 . . . . 182 Val N . 19616 1 693 . 1 1 183 183 SER H H 1 7.736 0.005 . 1 . . . . 183 Ser H . 19616 1 694 . 1 1 183 183 SER CA C 13 57.165 0.000 . 1 . . . . 183 Ser CA . 19616 1 695 . 1 1 183 183 SER CB C 13 63.737 0.000 . 1 . . . . 183 Ser CB . 19616 1 696 . 1 1 183 183 SER N N 15 108.180 0.026 . 1 . . . . 183 Ser N . 19616 1 697 . 1 1 184 184 LYS H H 1 7.282 0.003 . 1 . . . . 184 Lys H . 19616 1 698 . 1 1 184 184 LYS CA C 13 55.366 0.000 . 1 . . . . 184 Lys CA . 19616 1 699 . 1 1 184 184 LYS CB C 13 31.690 0.000 . 1 . . . . 184 Lys CB . 19616 1 700 . 1 1 184 184 LYS N N 15 122.568 0.014 . 1 . . . . 184 Lys N . 19616 1 701 . 1 1 185 185 PRO CA C 13 65.521 0.000 . 1 . . . . 185 Pro CA . 19616 1 702 . 1 1 185 185 PRO CB C 13 32.331 0.000 . 1 . . . . 185 Pro CB . 19616 1 703 . 1 1 186 186 GLU H H 1 10.453 0.006 . 1 . . . . 186 Glu H . 19616 1 704 . 1 1 186 186 GLU CA C 13 59.783 0.000 . 1 . . . . 186 Glu CA . 19616 1 705 . 1 1 186 186 GLU CB C 13 28.286 0.000 . 1 . . . . 186 Glu CB . 19616 1 706 . 1 1 186 186 GLU N N 15 116.907 0.216 . 1 . . . . 186 Glu N . 19616 1 707 . 1 1 187 187 PHE H H 1 7.291 0.007 . 1 . . . . 187 Phe H . 19616 1 708 . 1 1 187 187 PHE CA C 13 55.900 0.000 . 1 . . . . 187 Phe CA . 19616 1 709 . 1 1 187 187 PHE CB C 13 38.830 0.000 . 1 . . . . 187 Phe CB . 19616 1 710 . 1 1 187 187 PHE N N 15 114.449 0.000 . 1 . . . . 187 Phe N . 19616 1 711 . 1 1 188 188 GLN H H 1 7.260 0.014 . 1 . . . . 188 Gln H . 19616 1 712 . 1 1 188 188 GLN CA C 13 57.746 0.582 . 1 . . . . 188 Gln CA . 19616 1 713 . 1 1 188 188 GLN CB C 13 28.745 0.000 . 1 . . . . 188 Gln CB . 19616 1 714 . 1 1 188 188 GLN N N 15 114.021 0.208 . 1 . . . . 188 Gln N . 19616 1 715 . 1 1 189 189 ASP H H 1 8.659 0.005 . 1 . . . . 189 Asp H . 19616 1 716 . 1 1 189 189 ASP CA C 13 54.994 0.063 . 1 . . . . 189 Asp CA . 19616 1 717 . 1 1 189 189 ASP CB C 13 40.620 0.000 . 1 . . . . 189 Asp CB . 19616 1 718 . 1 1 189 189 ASP N N 15 116.039 0.231 . 1 . . . . 189 Asp N . 19616 1 719 . 1 1 190 190 PHE H H 1 7.631 0.021 . 1 . . . . 190 Phe H . 19616 1 720 . 1 1 190 190 PHE CA C 13 58.612 0.000 . 1 . . . . 190 Phe CA . 19616 1 721 . 1 1 190 190 PHE CB C 13 40.189 0.000 . 1 . . . . 190 Phe CB . 19616 1 722 . 1 1 190 190 PHE N N 15 117.583 0.140 . 1 . . . . 190 Phe N . 19616 1 723 . 1 1 191 191 ASN H H 1 8.903 0.001 . 1 . . . . 191 Asn H . 19616 1 724 . 1 1 191 191 ASN CA C 13 53.119 0.005 . 1 . . . . 191 Asn CA . 19616 1 725 . 1 1 191 191 ASN CB C 13 37.316 0.000 . 1 . . . . 191 Asn CB . 19616 1 726 . 1 1 191 191 ASN N N 15 118.092 0.003 . 1 . . . . 191 Asn N . 19616 1 727 . 1 1 192 192 ILE H H 1 8.152 0.004 . 1 . . . . 192 Ile H . 19616 1 728 . 1 1 192 192 ILE CA C 13 61.950 0.000 . 1 . . . . 192 Ile CA . 19616 1 729 . 1 1 192 192 ILE CB C 13 38.081 0.000 . 1 . . . . 192 Ile CB . 19616 1 730 . 1 1 192 192 ILE N N 15 125.473 0.028 . 1 . . . . 192 Ile N . 19616 1 731 . 1 1 193 193 ILE H H 1 9.554 0.000 . 1 . . . . 193 Ile H . 19616 1 732 . 1 1 193 193 ILE CA C 13 59.970 0.000 . 1 . . . . 193 Ile CA . 19616 1 733 . 1 1 193 193 ILE CB C 13 37.326 0.000 . 1 . . . . 193 Ile CB . 19616 1 734 . 1 1 193 193 ILE N N 15 133.078 0.000 . 1 . . . . 193 Ile N . 19616 1 735 . 1 1 194 194 GLU H H 1 8.327 0.015 . 1 . . . . 194 Glu H . 19616 1 736 . 1 1 194 194 GLU CA C 13 56.457 0.000 . 1 . . . . 194 Glu CA . 19616 1 737 . 1 1 194 194 GLU CB C 13 29.880 0.000 . 1 . . . . 194 Glu CB . 19616 1 738 . 1 1 194 194 GLU N N 15 125.358 0.136 . 1 . . . . 194 Glu N . 19616 1 739 . 1 1 195 195 ILE H H 1 8.574 0.003 . 1 . . . . 195 Ile H . 19616 1 740 . 1 1 195 195 ILE CA C 13 55.453 0.000 . 1 . . . . 195 Ile CA . 19616 1 741 . 1 1 195 195 ILE CB C 13 37.243 0.000 . 1 . . . . 195 Ile CB . 19616 1 742 . 1 1 195 195 ILE N N 15 129.262 0.208 . 1 . . . . 195 Ile N . 19616 1 743 . 1 1 196 196 PRO CA C 13 60.087 0.392 . 1 . . . . 196 Pro CA . 19616 1 744 . 1 1 196 196 PRO CB C 13 30.190 0.000 . 1 . . . . 196 Pro CB . 19616 1 745 . 1 1 197 197 GLU H H 1 8.908 0.004 . 1 . . . . 197 Glu H . 19616 1 746 . 1 1 197 197 GLU CA C 13 60.471 0.000 . 1 . . . . 197 Glu CA . 19616 1 747 . 1 1 197 197 GLU CB C 13 30.147 0.000 . 1 . . . . 197 Glu CB . 19616 1 748 . 1 1 197 197 GLU N N 15 122.216 0.199 . 1 . . . . 197 Glu N . 19616 1 749 . 1 1 198 198 GLU H H 1 9.795 0.009 . 1 . . . . 198 Glu H . 19616 1 750 . 1 1 198 198 GLU CA C 13 58.881 0.000 . 1 . . . . 198 Glu CA . 19616 1 751 . 1 1 198 198 GLU CB C 13 28.747 0.000 . 1 . . . . 198 Glu CB . 19616 1 752 . 1 1 198 198 GLU N N 15 116.255 0.384 . 1 . . . . 198 Glu N . 19616 1 753 . 1 1 199 199 GLU H H 1 8.097 0.001 . 1 . . . . 199 Glu H . 19616 1 754 . 1 1 199 199 GLU CA C 13 54.785 0.000 . 1 . . . . 199 Glu CA . 19616 1 755 . 1 1 199 199 GLU CB C 13 30.677 0.000 . 1 . . . . 199 Glu CB . 19616 1 756 . 1 1 199 199 GLU N N 15 117.379 0.079 . 1 . . . . 199 Glu N . 19616 1 757 . 1 1 200 200 SER H H 1 7.276 0.031 . 1 . . . . 200 Ser H . 19616 1 758 . 1 1 200 200 SER CA C 13 63.258 0.000 . 1 . . . . 200 Ser CA . 19616 1 759 . 1 1 200 200 SER CB C 13 62.266 0.000 . 1 . . . . 200 Ser CB . 19616 1 760 . 1 1 200 200 SER N N 15 112.233 0.223 . 1 . . . . 200 Ser N . 19616 1 761 . 1 1 201 201 TYR H H 1 8.542 0.005 . 1 . . . . 201 Tyr H . 19616 1 762 . 1 1 201 201 TYR CA C 13 60.006 0.000 . 1 . . . . 201 Tyr CA . 19616 1 763 . 1 1 201 201 TYR CB C 13 38.822 0.000 . 1 . . . . 201 Tyr CB . 19616 1 764 . 1 1 201 201 TYR N N 15 122.523 0.200 . 1 . . . . 201 Tyr N . 19616 1 765 . 1 1 202 202 ALA H H 1 7.833 0.035 . 1 . . . . 202 Ala H . 19616 1 766 . 1 1 202 202 ALA CA C 13 52.018 0.444 . 1 . . . . 202 Ala CA . 19616 1 767 . 1 1 202 202 ALA CB C 13 16.938 0.423 . 1 . . . . 202 Ala CB . 19616 1 768 . 1 1 202 202 ALA N N 15 115.882 0.312 . 1 . . . . 202 Ala N . 19616 1 769 . 1 1 203 203 ALA H H 1 7.039 0.009 . 1 . . . . 203 Ala H . 19616 1 770 . 1 1 203 203 ALA CA C 13 42.855 0.000 . 1 . . . . 203 Ala CA . 19616 1 771 . 1 1 203 203 ALA CB C 13 27.189 0.009 . 1 . . . . 203 Ala CB . 19616 1 772 . 1 1 203 203 ALA N N 15 114.593 0.163 . 1 . . . . 203 Ala N . 19616 1 773 . 1 1 204 204 ASN H H 1 6.688 0.001 . 1 . . . . 204 Asn H . 19616 1 774 . 1 1 204 204 ASN CA C 13 53.596 0.000 . 1 . . . . 204 Asn CA . 19616 1 775 . 1 1 204 204 ASN CB C 13 39.155 0.000 . 1 . . . . 204 Asn CB . 19616 1 776 . 1 1 204 204 ASN N N 15 108.555 0.061 . 1 . . . . 204 Asn N . 19616 1 777 . 1 1 205 205 CYS H H 1 6.757 0.004 . 1 . . . . 205 Cys H . 19616 1 778 . 1 1 205 205 CYS CA C 13 57.856 0.000 . 1 . . . . 205 Cys CA . 19616 1 779 . 1 1 205 205 CYS CB C 13 33.289 0.000 . 1 . . . . 205 Cys CB . 19616 1 780 . 1 1 205 205 CYS N N 15 117.729 0.028 . 1 . . . . 205 Cys N . 19616 1 781 . 1 1 206 206 ILE H H 1 8.292 0.008 . 1 . . . . 206 Ile H . 19616 1 782 . 1 1 206 206 ILE CA C 13 58.411 0.000 . 1 . . . . 206 Ile CA . 19616 1 783 . 1 1 206 206 ILE CB C 13 41.070 0.000 . 1 . . . . 206 Ile CB . 19616 1 784 . 1 1 206 206 ILE N N 15 106.531 0.113 . 1 . . . . 206 Ile N . 19616 1 785 . 1 1 207 207 TRP H H 1 8.673 0.009 . 1 . . . . 207 Trp H . 19616 1 786 . 1 1 207 207 TRP HE1 H 1 10.648 0.000 . 1 . . . . 207 Trp HE1 . 19616 1 787 . 1 1 207 207 TRP CA C 13 56.857 0.008 . 1 . . . . 207 Trp CA . 19616 1 788 . 1 1 207 207 TRP CB C 13 31.491 0.000 . 1 . . . . 207 Trp CB . 19616 1 789 . 1 1 207 207 TRP N N 15 122.921 0.228 . 1 . . . . 207 Trp N . 19616 1 790 . 1 1 208 208 VAL H H 1 9.045 0.019 . 1 . . . . 208 Val H . 19616 1 791 . 1 1 208 208 VAL CA C 13 62.246 0.000 . 1 . . . . 208 Val CA . 19616 1 792 . 1 1 208 208 VAL CB C 13 34.409 0.000 . 1 . . . . 208 Val CB . 19616 1 793 . 1 1 208 208 VAL N N 15 125.732 0.196 . 1 . . . . 208 Val N . 19616 1 794 . 1 1 210 210 GLU CA C 13 59.280 0.000 . 1 . . . . 210 Glu CA . 19616 1 795 . 1 1 210 210 GLU CB C 13 26.848 0.000 . 1 . . . . 210 Glu CB . 19616 1 796 . 1 1 211 211 ARG H H 1 7.247 0.003 . 1 . . . . 211 Arg H . 19616 1 797 . 1 1 211 211 ARG CA C 13 55.586 0.000 . 1 . . . . 211 Arg CA . 19616 1 798 . 1 1 211 211 ARG CB C 13 32.424 0.000 . 1 . . . . 211 Arg CB . 19616 1 799 . 1 1 211 211 ARG N N 15 119.246 0.004 . 1 . . . . 211 Arg N . 19616 1 800 . 1 1 212 212 VAL H H 1 8.695 0.004 . 1 . . . . 212 Val H . 19616 1 801 . 1 1 212 212 VAL CA C 13 60.587 0.000 . 1 . . . . 212 Val CA . 19616 1 802 . 1 1 212 212 VAL CB C 13 34.522 0.000 . 1 . . . . 212 Val CB . 19616 1 803 . 1 1 212 212 VAL N N 15 119.455 0.010 . 1 . . . . 212 Val N . 19616 1 804 . 1 1 213 213 ILE H H 1 8.817 0.009 . 1 . . . . 213 Ile H . 19616 1 805 . 1 1 213 213 ILE CA C 13 59.866 0.004 . 1 . . . . 213 Ile CA . 19616 1 806 . 1 1 213 213 ILE CB C 13 37.771 0.096 . 1 . . . . 213 Ile CB . 19616 1 807 . 1 1 213 213 ILE N N 15 126.917 0.071 . 1 . . . . 213 Ile N . 19616 1 808 . 1 1 214 214 MET H H 1 9.123 0.003 . 1 . . . . 214 Met H . 19616 1 809 . 1 1 214 214 MET CA C 13 51.832 0.000 . 1 . . . . 214 Met CA . 19616 1 810 . 1 1 214 214 MET CB C 13 37.378 0.000 . 1 . . . . 214 Met CB . 19616 1 811 . 1 1 214 214 MET N N 15 125.323 0.175 . 1 . . . . 214 Met N . 19616 1 812 . 1 1 215 215 PRO CA C 13 61.183 0.000 . 1 . . . . 215 Pro CA . 19616 1 813 . 1 1 215 215 PRO CB C 13 32.582 0.000 . 1 . . . . 215 Pro CB . 19616 1 814 . 1 1 216 216 ALA H H 1 7.751 0.007 . 1 . . . . 216 Ala H . 19616 1 815 . 1 1 216 216 ALA CA C 13 51.964 0.000 . 1 . . . . 216 Ala CA . 19616 1 816 . 1 1 216 216 ALA CB C 13 19.446 0.000 . 1 . . . . 216 Ala CB . 19616 1 817 . 1 1 216 216 ALA N N 15 122.719 0.021 . 1 . . . . 216 Ala N . 19616 1 818 . 1 1 217 217 GLY H H 1 8.463 0.000 . 1 . . . . 217 Gly H . 19616 1 819 . 1 1 217 217 GLY CA C 13 44.605 0.418 . 1 . . . . 217 Gly CA . 19616 1 820 . 1 1 217 217 GLY N N 15 107.928 0.000 . 1 . . . . 217 Gly N . 19616 1 821 . 1 1 218 218 TYR H H 1 9.286 0.010 . 1 . . . . 218 Tyr H . 19616 1 822 . 1 1 218 218 TYR CA C 13 56.851 0.000 . 1 . . . . 218 Tyr CA . 19616 1 823 . 1 1 218 218 TYR CB C 13 38.630 0.000 . 1 . . . . 218 Tyr CB . 19616 1 824 . 1 1 218 218 TYR N N 15 121.073 0.271 . 1 . . . . 218 Tyr N . 19616 1 825 . 1 1 219 219 PRO CA C 13 64.344 0.551 . 1 . . . . 219 Pro CA . 19616 1 826 . 1 1 219 219 PRO CB C 13 32.733 0.000 . 1 . . . . 219 Pro CB . 19616 1 827 . 1 1 220 220 ARG H H 1 10.493 0.005 . 1 . . . . 220 Arg H . 19616 1 828 . 1 1 220 220 ARG CA C 13 60.072 0.052 . 1 . . . . 220 Arg CA . 19616 1 829 . 1 1 220 220 ARG CB C 13 29.622 0.015 . 1 . . . . 220 Arg CB . 19616 1 830 . 1 1 220 220 ARG N N 15 122.737 0.281 . 1 . . . . 220 Arg N . 19616 1 831 . 1 1 221 221 THR H H 1 10.362 0.002 . 1 . . . . 221 Thr H . 19616 1 832 . 1 1 221 221 THR CA C 13 69.034 0.000 . 1 . . . . 221 Thr CA . 19616 1 833 . 1 1 221 221 THR CB C 13 66.763 0.000 . 1 . . . . 221 Thr CB . 19616 1 834 . 1 1 221 221 THR N N 15 122.445 0.210 . 1 . . . . 221 Thr N . 19616 1 835 . 1 1 222 222 ARG H H 1 8.412 0.003 . 1 . . . . 222 Arg H . 19616 1 836 . 1 1 222 222 ARG CA C 13 60.592 0.000 . 1 . . . . 222 Arg CA . 19616 1 837 . 1 1 222 222 ARG CB C 13 30.340 0.000 . 1 . . . . 222 Arg CB . 19616 1 838 . 1 1 222 222 ARG N N 15 120.891 0.139 . 1 . . . . 222 Arg N . 19616 1 839 . 1 1 223 223 GLU H H 1 7.716 0.025 . 1 . . . . 223 Glu H . 19616 1 840 . 1 1 223 223 GLU CA C 13 59.259 0.000 . 1 . . . . 223 Glu CA . 19616 1 841 . 1 1 223 223 GLU CB C 13 29.559 0.000 . 1 . . . . 223 Glu CB . 19616 1 842 . 1 1 223 223 GLU N N 15 115.236 0.141 . 1 . . . . 223 Glu N . 19616 1 843 . 1 1 224 224 LYS H H 1 7.573 0.011 . 1 . . . . 224 Lys H . 19616 1 844 . 1 1 224 224 LYS CA C 13 60.004 0.000 . 1 . . . . 224 Lys CA . 19616 1 845 . 1 1 224 224 LYS CB C 13 33.015 0.000 . 1 . . . . 224 Lys CB . 19616 1 846 . 1 1 224 224 LYS N N 15 116.878 0.012 . 1 . . . . 224 Lys N . 19616 1 847 . 1 1 225 225 ILE H H 1 8.072 0.007 . 1 . . . . 225 Ile H . 19616 1 848 . 1 1 225 225 ILE CA C 13 65.881 0.007 . 1 . . . . 225 Ile CA . 19616 1 849 . 1 1 225 225 ILE CB C 13 38.792 0.000 . 1 . . . . 225 Ile CB . 19616 1 850 . 1 1 225 225 ILE N N 15 117.109 0.088 . 1 . . . . 225 Ile N . 19616 1 851 . 1 1 226 226 ALA H H 1 8.929 0.005 . 1 . . . . 226 Ala H . 19616 1 852 . 1 1 226 226 ALA CA C 13 55.335 0.079 . 1 . . . . 226 Ala CA . 19616 1 853 . 1 1 226 226 ALA CB C 13 16.965 0.000 . 1 . . . . 226 Ala CB . 19616 1 854 . 1 1 226 226 ALA N N 15 121.265 0.207 . 1 . . . . 226 Ala N . 19616 1 855 . 1 1 227 227 ARG H H 1 8.065 0.003 . 1 . . . . 227 Arg H . 19616 1 856 . 1 1 227 227 ARG CA C 13 58.478 0.044 . 1 . . . . 227 Arg CA . 19616 1 857 . 1 1 227 227 ARG CB C 13 30.056 0.000 . 1 . . . . 227 Arg CB . 19616 1 858 . 1 1 227 227 ARG N N 15 116.611 0.012 . 1 . . . . 227 Arg N . 19616 1 859 . 1 1 228 228 LEU H H 1 7.487 0.019 . 1 . . . . 228 Leu H . 19616 1 860 . 1 1 228 228 LEU CA C 13 55.296 0.000 . 1 . . . . 228 Leu CA . 19616 1 861 . 1 1 228 228 LEU CB C 13 42.826 0.000 . 1 . . . . 228 Leu CB . 19616 1 862 . 1 1 228 228 LEU N N 15 116.747 0.179 . 1 . . . . 228 Leu N . 19616 1 863 . 1 1 229 229 GLY H H 1 7.838 0.020 . 1 . . . . 229 Gly H . 19616 1 864 . 1 1 229 229 GLY CA C 13 45.129 0.000 . 1 . . . . 229 Gly CA . 19616 1 865 . 1 1 229 229 GLY N N 15 103.554 0.151 . 1 . . . . 229 Gly N . 19616 1 866 . 1 1 230 230 TYR H H 1 6.507 0.022 . 1 . . . . 230 Tyr H . 19616 1 867 . 1 1 230 230 TYR CA C 13 57.827 0.000 . 1 . . . . 230 Tyr CA . 19616 1 868 . 1 1 230 230 TYR CB C 13 39.973 0.000 . 1 . . . . 230 Tyr CB . 19616 1 869 . 1 1 230 230 TYR N N 15 115.254 0.066 . 1 . . . . 230 Tyr N . 19616 1 870 . 1 1 231 231 ARG H H 1 7.881 0.002 . 1 . . . . 231 Arg H . 19616 1 871 . 1 1 231 231 ARG CA C 13 56.200 0.000 . 1 . . . . 231 Arg CA . 19616 1 872 . 1 1 231 231 ARG CB C 13 30.608 0.000 . 1 . . . . 231 Arg CB . 19616 1 873 . 1 1 231 231 ARG N N 15 121.448 0.027 . 1 . . . . 231 Arg N . 19616 1 874 . 1 1 232 232 VAL H H 1 8.446 0.021 . 1 . . . . 232 Val H . 19616 1 875 . 1 1 232 232 VAL CA C 13 62.112 0.000 . 1 . . . . 232 Val CA . 19616 1 876 . 1 1 232 232 VAL CB C 13 33.346 0.000 . 1 . . . . 232 Val CB . 19616 1 877 . 1 1 232 232 VAL N N 15 125.893 0.131 . 1 . . . . 232 Val N . 19616 1 878 . 1 1 233 233 ILE H H 1 9.308 0.001 . 1 . . . . 233 Ile H . 19616 1 879 . 1 1 233 233 ILE CA C 13 60.943 0.072 . 1 . . . . 233 Ile CA . 19616 1 880 . 1 1 233 233 ILE CB C 13 40.931 0.128 . 1 . . . . 233 Ile CB . 19616 1 881 . 1 1 233 233 ILE N N 15 129.431 0.024 . 1 . . . . 233 Ile N . 19616 1 882 . 1 1 234 234 GLU H H 1 8.656 0.003 . 1 . . . . 234 Glu H . 19616 1 883 . 1 1 234 234 GLU CA C 13 54.990 0.037 . 1 . . . . 234 Glu CA . 19616 1 884 . 1 1 234 234 GLU CB C 13 32.960 0.000 . 1 . . . . 234 Glu CB . 19616 1 885 . 1 1 234 234 GLU N N 15 123.996 0.266 . 1 . . . . 234 Glu N . 19616 1 886 . 1 1 235 235 VAL H H 1 8.944 0.003 . 1 . . . . 235 Val H . 19616 1 887 . 1 1 235 235 VAL CA C 13 59.497 0.000 . 1 . . . . 235 Val CA . 19616 1 888 . 1 1 235 235 VAL CB C 13 34.639 0.097 . 1 . . . . 235 Val CB . 19616 1 889 . 1 1 235 235 VAL N N 15 118.291 0.024 . 1 . . . . 235 Val N . 19616 1 890 . 1 1 236 236 ASP H H 1 9.065 0.004 . 1 . . . . 236 Asp H . 19616 1 891 . 1 1 236 236 ASP CA C 13 54.518 0.018 . 1 . . . . 236 Asp CA . 19616 1 892 . 1 1 236 236 ASP CB C 13 40.331 0.000 . 1 . . . . 236 Asp CB . 19616 1 893 . 1 1 236 236 ASP N N 15 126.096 0.222 . 1 . . . . 236 Asp N . 19616 1 894 . 1 1 237 237 THR H H 1 8.274 0.004 . 1 . . . . 237 Thr H . 19616 1 895 . 1 1 237 237 THR CA C 13 60.876 0.010 . 1 . . . . 237 Thr CA . 19616 1 896 . 1 1 237 237 THR CB C 13 67.678 0.000 . 1 . . . . 237 Thr CB . 19616 1 897 . 1 1 237 237 THR N N 15 113.854 0.020 . 1 . . . . 237 Thr N . 19616 1 898 . 1 1 238 238 SER H H 1 8.403 0.006 . 1 . . . . 238 Ser H . 19616 1 899 . 1 1 238 238 SER CA C 13 62.459 0.066 . 1 . . . . 238 Ser CA . 19616 1 900 . 1 1 238 238 SER CB C 13 61.857 0.000 . 1 . . . . 238 Ser CB . 19616 1 901 . 1 1 238 238 SER N N 15 118.249 0.024 . 1 . . . . 238 Ser N . 19616 1 902 . 1 1 239 239 GLU H H 1 9.525 0.003 . 1 . . . . 239 Glu H . 19616 1 903 . 1 1 239 239 GLU CA C 13 58.555 0.026 . 1 . . . . 239 Glu CA . 19616 1 904 . 1 1 239 239 GLU CB C 13 29.003 0.000 . 1 . . . . 239 Glu CB . 19616 1 905 . 1 1 239 239 GLU N N 15 120.144 0.107 . 1 . . . . 239 Glu N . 19616 1 906 . 1 1 240 240 TYR H H 1 7.177 0.004 . 1 . . . . 240 Tyr H . 19616 1 907 . 1 1 240 240 TYR CA C 13 61.270 0.000 . 1 . . . . 240 Tyr CA . 19616 1 908 . 1 1 240 240 TYR CB C 13 37.927 0.000 . 1 . . . . 240 Tyr CB . 19616 1 909 . 1 1 240 240 TYR N N 15 114.929 0.104 . 1 . . . . 240 Tyr N . 19616 1 910 . 1 1 241 241 ARG H H 1 8.260 0.006 . 1 . . . . 241 Arg H . 19616 1 911 . 1 1 241 241 ARG CA C 13 59.533 0.000 . 1 . . . . 241 Arg CA . 19616 1 912 . 1 1 241 241 ARG CB C 13 29.731 0.000 . 1 . . . . 241 Arg CB . 19616 1 913 . 1 1 241 241 ARG N N 15 123.305 0.004 . 1 . . . . 241 Arg N . 19616 1 914 . 1 1 242 242 LYS H H 1 6.888 0.001 . 1 . . . . 242 Lys H . 19616 1 915 . 1 1 242 242 LYS CA C 13 59.608 0.026 . 1 . . . . 242 Lys CA . 19616 1 916 . 1 1 242 242 LYS CB C 13 33.243 0.125 . 1 . . . . 242 Lys CB . 19616 1 917 . 1 1 242 242 LYS N N 15 113.719 0.032 . 1 . . . . 242 Lys N . 19616 1 918 . 1 1 243 243 ILE H H 1 7.471 0.004 . 1 . . . . 243 Ile H . 19616 1 919 . 1 1 243 243 ILE CA C 13 59.817 0.017 . 1 . . . . 243 Ile CA . 19616 1 920 . 1 1 243 243 ILE CB C 13 37.152 0.142 . 1 . . . . 243 Ile CB . 19616 1 921 . 1 1 243 243 ILE N N 15 109.127 0.204 . 1 . . . . 243 Ile N . 19616 1 922 . 1 1 244 244 ASP H H 1 7.475 0.007 . 1 . . . . 244 Asp H . 19616 1 923 . 1 1 244 244 ASP CA C 13 56.104 0.027 . 1 . . . . 244 Asp CA . 19616 1 924 . 1 1 244 244 ASP CB C 13 39.040 0.000 . 1 . . . . 244 Asp CB . 19616 1 925 . 1 1 244 244 ASP N N 15 112.054 0.268 . 1 . . . . 244 Asp N . 19616 1 926 . 1 1 245 245 GLY H H 1 8.190 0.006 . 1 . . . . 245 Gly H . 19616 1 927 . 1 1 245 245 GLY CA C 13 43.491 0.000 . 1 . . . . 245 Gly CA . 19616 1 928 . 1 1 245 245 GLY N N 15 100.795 0.148 . 1 . . . . 245 Gly N . 19616 1 929 . 1 1 246 246 GLY H H 1 9.010 0.000 . 1 . . . . 246 Gly H . 19616 1 930 . 1 1 246 246 GLY CA C 13 44.509 0.000 . 1 . . . . 246 Gly CA . 19616 1 931 . 1 1 246 246 GLY N N 15 107.840 0.000 . 1 . . . . 246 Gly N . 19616 1 932 . 1 1 247 247 VAL H H 1 8.246 0.011 . 1 . . . . 247 Val H . 19616 1 933 . 1 1 247 247 VAL CA C 13 65.369 0.007 . 1 . . . . 247 Val CA . 19616 1 934 . 1 1 247 247 VAL CB C 13 31.996 0.000 . 1 . . . . 247 Val CB . 19616 1 935 . 1 1 247 247 VAL N N 15 112.500 0.216 . 1 . . . . 247 Val N . 19616 1 936 . 1 1 248 248 SER H H 1 10.479 0.011 . 1 . . . . 248 Ser H . 19616 1 937 . 1 1 248 248 SER CA C 13 62.117 0.000 . 1 . . . . 248 Ser CA . 19616 1 938 . 1 1 248 248 SER CB C 13 59.448 0.000 . 1 . . . . 248 Ser CB . 19616 1 939 . 1 1 248 248 SER N N 15 122.458 0.033 . 1 . . . . 248 Ser N . 19616 1 940 . 1 1 249 249 SER H H 1 7.076 0.003 . 1 . . . . 249 Ser H . 19616 1 941 . 1 1 249 249 SER CA C 13 57.958 0.062 . 1 . . . . 249 Ser CA . 19616 1 942 . 1 1 249 249 SER CB C 13 63.759 0.000 . 1 . . . . 249 Ser CB . 19616 1 943 . 1 1 249 249 SER N N 15 112.001 0.001 . 1 . . . . 249 Ser N . 19616 1 944 . 1 1 250 250 MET H H 1 6.502 0.003 . 1 . . . . 250 Met H . 19616 1 945 . 1 1 250 250 MET CA C 13 56.080 0.000 . 1 . . . . 250 Met CA . 19616 1 946 . 1 1 250 250 MET CB C 13 36.643 0.000 . 1 . . . . 250 Met CB . 19616 1 947 . 1 1 250 250 MET N N 15 109.547 0.178 . 1 . . . . 250 Met N . 19616 1 948 . 1 1 251 251 SER H H 1 7.694 0.006 . 1 . . . . 251 Ser H . 19616 1 949 . 1 1 251 251 SER CA C 13 58.554 0.000 . 1 . . . . 251 Ser CA . 19616 1 950 . 1 1 251 251 SER CB C 13 66.227 0.000 . 1 . . . . 251 Ser CB . 19616 1 951 . 1 1 251 251 SER N N 15 107.284 0.000 . 1 . . . . 251 Ser N . 19616 1 952 . 1 1 252 252 LEU H H 1 8.629 0.000 . 1 . . . . 252 Leu H . 19616 1 953 . 1 1 252 252 LEU CA C 13 54.193 0.050 . 1 . . . . 252 Leu CA . 19616 1 954 . 1 1 252 252 LEU CB C 13 44.810 0.000 . 1 . . . . 252 Leu CB . 19616 1 955 . 1 1 252 252 LEU N N 15 118.708 0.041 . 1 . . . . 252 Leu N . 19616 1 956 . 1 1 253 253 ARG H H 1 9.444 0.010 . 1 . . . . 253 Arg H . 19616 1 957 . 1 1 253 253 ARG CA C 13 54.413 0.000 . 1 . . . . 253 Arg CA . 19616 1 958 . 1 1 253 253 ARG CB C 13 30.956 0.000 . 1 . . . . 253 Arg CB . 19616 1 959 . 1 1 253 253 ARG N N 15 121.290 0.206 . 1 . . . . 253 Arg N . 19616 1 960 . 1 1 254 254 PHE H H 1 8.390 0.004 . 1 . . . . 254 Phe H . 19616 1 961 . 1 1 254 254 PHE CA C 13 59.278 0.000 . 1 . . . . 254 Phe CA . 19616 1 962 . 1 1 254 254 PHE CB C 13 38.266 0.000 . 1 . . . . 254 Phe CB . 19616 1 963 . 1 1 254 254 PHE N N 15 124.703 0.012 . 1 . . . . 254 Phe N . 19616 1 stop_ save_