data_5234 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5234 _Entry.Title ; Backbone resonance assignment of the 2H,13C,15N labelled 32KDa Central Domain of Escherichia coli TyrR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-12-17 _Entry.Accession_date 2001-12-17 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 James Swarbrick . D . 5234 2 Tanya Bashtannyk . . . 5234 3 Mathew Dixon . . . 5234 4 Richard Pau . . . 5234 5 Barrie Davidson . . . 5234 6 Paul Gooley . R . 5234 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5234 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 672 5234 '15N chemical shifts' 246 5234 '1H chemical shifts' 247 5234 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-08-22 2001-12-17 original author . 5234 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5234 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22012552 _Citation.DOI . _Citation.PubMed_ID 12018490 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone resonance assignment of the 2H, 13C, 15N labelled 32kDa Central Domain of Escherichia coli TyrR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 4 _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 381 _Citation.Page_last 382 _Citation.Year 2002 _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 James Swarbrick . D . 5234 1 2 Tanya Bashtannyk . . . 5234 1 3 Mathew Dixon . . . 5234 1 4 Richard Pau . . . 5234 1 5 Barrie Davidson . . . 5234 1 6 Paul Gooley . R . 5234 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TyrR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TyrR _Assembly.Entry_ID 5234 _Assembly.ID 1 _Assembly.Name 'TyrR transcription factor central domain of E.coli' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5234 1 stop_ 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 'TyrR central domain' 1 $TyrR . . . native . . . . . 5234 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TyrR abbreviation 5234 1 'TyrR transcription factor central domain of E.coli' system 5234 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'hexamerisation ATP/Tyrosine binding' 5234 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TyrR _Entity.Sf_category entity _Entity.Sf_framecode TyrR _Entity.Entry_ID 5234 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TyrR transcription factor central domain' _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 ; MGRQLQNVAAQDVSAFSQIV AVSPKMKHVVEQAQKLAMLS APLLITGDTGTGKDLFAYAC HQASPRAGKPYLALNCASIP EDAVESELFGHAPEGKKGFF EQANGGSVLLDEIGEMSPRM QAKLLRFLNDGTFRRVGEDH EVHVDVRVICATQKNLVELV QKGMFREDLYYRLNVLTLNL PPLRDCPQDIMPLTELFVAR FADEQGVPLPKLAADLNTVL TRYAWPGNVRQLKNAIYRAL TQLDGYELRPQDILLPDYDA ATVAVGEDAMEGSLDEITSR LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 288 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-28 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 DBJ BAA14905 . "DNA-binding transcriptional dual regulator, tyrosine-binding [Escherichia coli str. K-12 substr. W3110]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 2 no DBJ BAB35325 . "transcription regulator tyrR [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.26 513 98.59 98.59 0.00e+00 . . . . 5234 1 3 no DBJ BAG76899 . "transcriptional regulator [Escherichia coli SE11]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 4 no DBJ BAI25172 . "DNA-binding transcriptional dual regulator TyrR, tyrosine-binding [Escherichia coli O26:H11 str. 11368]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 5 no DBJ BAI30314 . "DNA-binding transcriptional dual regulator TyrR, tyrosine-binding [Escherichia coli O103:H2 str. 12009]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 6 no EMBL CAP75867 . "Transcriptional regulatory protein tyrR [Escherichia coli LF82]" . . . . . 98.26 513 98.23 98.59 0.00e+00 . . . . 5234 1 7 no EMBL CAQ31828 . "TyrR transcriptional dual regulator [Escherichia coli BL21(DE3)]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 8 no EMBL CAQ98207 . "DNA-binding transcriptional dual regulator, tyrosine-binding [Escherichia coli IAI1]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 9 no EMBL CAR02785 . "DNA-binding transcriptional dual regulator, tyrosine-binding [Escherichia coli S88]" . . . . . 98.26 513 98.23 98.59 0.00e+00 . . . . 5234 1 10 no EMBL CAR07729 . "DNA-binding transcriptional dual regulator, tyrosine-binding [Escherichia coli ED1a]" . . . . . 98.26 513 98.23 98.59 0.00e+00 . . . . 5234 1 11 no GB AAA24706 . "TyrR protein [Escherichia coli]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 12 no GB AAB25766 . "TyrR=TyrR regulon repression and activation [Escherichia coli, Peptide, 513 aa]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 13 no GB AAC74405 . "aromatic amino acid biosynthesis and transport regulon transcriptional regulator; autorepressor; ATPase; phosphatase [Escherich" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 14 no GB AAF28133 . "TyrR [Shigella dysenteriae]" . . . . . 98.26 513 98.59 98.59 0.00e+00 . . . . 5234 1 15 no GB AAG56479 . "transcriptional regulation of aroF, aroG, tyrA and aromatic amino acid transport [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.26 513 97.53 97.53 0.00e+00 . . . . 5234 1 16 no REF NP_287865 . "DNA-binding transcriptional regulator TyrR [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.26 513 97.53 97.53 0.00e+00 . . . . 5234 1 17 no REF NP_309929 . "DNA-binding transcriptional regulator TyrR [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.26 513 98.59 98.59 0.00e+00 . . . . 5234 1 18 no REF NP_415839 . "aromatic amino acid biosynthesis and transport regulon transcriptional regulator; autorepressor; ATPase; phosphatase [Escherich" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 19 no REF NP_707228 . "DNA-binding transcriptional regulator TyrR [Shigella flexneri 2a str. 301]" . . . . . 98.26 513 98.59 98.94 0.00e+00 . . . . 5234 1 20 no REF NP_753699 . "DNA-binding transcriptional regulator TyrR [Escherichia coli CFT073]" . . . . . 98.26 522 98.23 98.59 0.00e+00 . . . . 5234 1 21 no SP P07604 . "RecName: Full=Transcriptional regulatory protein TyrR [Escherichia coli K-12]" . . . . . 98.26 513 98.94 98.94 0.00e+00 . . . . 5234 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Central Domain of TyrR' abbreviation 5234 1 'TyrR transcription factor central domain' common 5234 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 . MET . 5234 1 2 . GLY . 5234 1 3 . ARG . 5234 1 4 . GLN . 5234 1 5 . LEU . 5234 1 6 . GLN . 5234 1 7 . ASN . 5234 1 8 . VAL . 5234 1 9 . ALA . 5234 1 10 . ALA . 5234 1 11 . GLN . 5234 1 12 . ASP . 5234 1 13 . VAL . 5234 1 14 . SER . 5234 1 15 . ALA . 5234 1 16 . PHE . 5234 1 17 . SER . 5234 1 18 . GLN . 5234 1 19 . ILE . 5234 1 20 . VAL . 5234 1 21 . ALA . 5234 1 22 . VAL . 5234 1 23 . SER . 5234 1 24 . PRO . 5234 1 25 . LYS . 5234 1 26 . MET . 5234 1 27 . LYS . 5234 1 28 . HIS . 5234 1 29 . VAL . 5234 1 30 . VAL . 5234 1 31 . GLU . 5234 1 32 . GLN . 5234 1 33 . ALA . 5234 1 34 . GLN . 5234 1 35 . LYS . 5234 1 36 . LEU . 5234 1 37 . ALA . 5234 1 38 . MET . 5234 1 39 . LEU . 5234 1 40 . SER . 5234 1 41 . ALA . 5234 1 42 . PRO . 5234 1 43 . LEU . 5234 1 44 . LEU . 5234 1 45 . ILE . 5234 1 46 . THR . 5234 1 47 . GLY . 5234 1 48 . ASP . 5234 1 49 . THR . 5234 1 50 . GLY . 5234 1 51 . THR . 5234 1 52 . GLY . 5234 1 53 . LYS . 5234 1 54 . ASP . 5234 1 55 . LEU . 5234 1 56 . PHE . 5234 1 57 . ALA . 5234 1 58 . TYR . 5234 1 59 . ALA . 5234 1 60 . CYS . 5234 1 61 . HIS . 5234 1 62 . GLN . 5234 1 63 . ALA . 5234 1 64 . SER . 5234 1 65 . PRO . 5234 1 66 . ARG . 5234 1 67 . ALA . 5234 1 68 . GLY . 5234 1 69 . LYS . 5234 1 70 . PRO . 5234 1 71 . TYR . 5234 1 72 . LEU . 5234 1 73 . ALA . 5234 1 74 . LEU . 5234 1 75 . ASN . 5234 1 76 . CYS . 5234 1 77 . ALA . 5234 1 78 . SER . 5234 1 79 . ILE . 5234 1 80 . PRO . 5234 1 81 . GLU . 5234 1 82 . ASP . 5234 1 83 . ALA . 5234 1 84 . VAL . 5234 1 85 . GLU . 5234 1 86 . SER . 5234 1 87 . GLU . 5234 1 88 . LEU . 5234 1 89 . PHE . 5234 1 90 . GLY . 5234 1 91 . HIS . 5234 1 92 . ALA . 5234 1 93 . PRO . 5234 1 94 . GLU . 5234 1 95 . GLY . 5234 1 96 . LYS . 5234 1 97 . LYS . 5234 1 98 . GLY . 5234 1 99 . PHE . 5234 1 100 . PHE . 5234 1 101 . GLU . 5234 1 102 . GLN . 5234 1 103 . ALA . 5234 1 104 . ASN . 5234 1 105 . GLY . 5234 1 106 . GLY . 5234 1 107 . SER . 5234 1 108 . VAL . 5234 1 109 . LEU . 5234 1 110 . LEU . 5234 1 111 . ASP . 5234 1 112 . GLU . 5234 1 113 . ILE . 5234 1 114 . GLY . 5234 1 115 . GLU . 5234 1 116 . MET . 5234 1 117 . SER . 5234 1 118 . PRO . 5234 1 119 . ARG . 5234 1 120 . MET . 5234 1 121 . GLN . 5234 1 122 . ALA . 5234 1 123 . LYS . 5234 1 124 . LEU . 5234 1 125 . LEU . 5234 1 126 . ARG . 5234 1 127 . PHE . 5234 1 128 . LEU . 5234 1 129 . ASN . 5234 1 130 . ASP . 5234 1 131 . GLY . 5234 1 132 . THR . 5234 1 133 . PHE . 5234 1 134 . ARG . 5234 1 135 . ARG . 5234 1 136 . VAL . 5234 1 137 . GLY . 5234 1 138 . GLU . 5234 1 139 . ASP . 5234 1 140 . HIS . 5234 1 141 . GLU . 5234 1 142 . VAL . 5234 1 143 . HIS . 5234 1 144 . VAL . 5234 1 145 . ASP . 5234 1 146 . VAL . 5234 1 147 . ARG . 5234 1 148 . VAL . 5234 1 149 . ILE . 5234 1 150 . CYS . 5234 1 151 . ALA . 5234 1 152 . THR . 5234 1 153 . GLN . 5234 1 154 . LYS . 5234 1 155 . ASN . 5234 1 156 . LEU . 5234 1 157 . VAL . 5234 1 158 . GLU . 5234 1 159 . LEU . 5234 1 160 . VAL . 5234 1 161 . GLN . 5234 1 162 . LYS . 5234 1 163 . GLY . 5234 1 164 . MET . 5234 1 165 . PHE . 5234 1 166 . ARG . 5234 1 167 . GLU . 5234 1 168 . ASP . 5234 1 169 . LEU . 5234 1 170 . TYR . 5234 1 171 . TYR . 5234 1 172 . ARG . 5234 1 173 . LEU . 5234 1 174 . ASN . 5234 1 175 . VAL . 5234 1 176 . LEU . 5234 1 177 . THR . 5234 1 178 . LEU . 5234 1 179 . ASN . 5234 1 180 . LEU . 5234 1 181 . PRO . 5234 1 182 . PRO . 5234 1 183 . LEU . 5234 1 184 . ARG . 5234 1 185 . ASP . 5234 1 186 . CYS . 5234 1 187 . PRO . 5234 1 188 . GLN . 5234 1 189 . ASP . 5234 1 190 . ILE . 5234 1 191 . MET . 5234 1 192 . PRO . 5234 1 193 . LEU . 5234 1 194 . THR . 5234 1 195 . GLU . 5234 1 196 . LEU . 5234 1 197 . PHE . 5234 1 198 . VAL . 5234 1 199 . ALA . 5234 1 200 . ARG . 5234 1 201 . PHE . 5234 1 202 . ALA . 5234 1 203 . ASP . 5234 1 204 . GLU . 5234 1 205 . GLN . 5234 1 206 . GLY . 5234 1 207 . VAL . 5234 1 208 . PRO . 5234 1 209 . LEU . 5234 1 210 . PRO . 5234 1 211 . LYS . 5234 1 212 . LEU . 5234 1 213 . ALA . 5234 1 214 . ALA . 5234 1 215 . ASP . 5234 1 216 . LEU . 5234 1 217 . ASN . 5234 1 218 . THR . 5234 1 219 . VAL . 5234 1 220 . LEU . 5234 1 221 . THR . 5234 1 222 . ARG . 5234 1 223 . TYR . 5234 1 224 . ALA . 5234 1 225 . TRP . 5234 1 226 . PRO . 5234 1 227 . GLY . 5234 1 228 . ASN . 5234 1 229 . VAL . 5234 1 230 . ARG . 5234 1 231 . GLN . 5234 1 232 . LEU . 5234 1 233 . LYS . 5234 1 234 . ASN . 5234 1 235 . ALA . 5234 1 236 . ILE . 5234 1 237 . TYR . 5234 1 238 . ARG . 5234 1 239 . ALA . 5234 1 240 . LEU . 5234 1 241 . THR . 5234 1 242 . GLN . 5234 1 243 . LEU . 5234 1 244 . ASP . 5234 1 245 . GLY . 5234 1 246 . TYR . 5234 1 247 . GLU . 5234 1 248 . LEU . 5234 1 249 . ARG . 5234 1 250 . PRO . 5234 1 251 . GLN . 5234 1 252 . ASP . 5234 1 253 . ILE . 5234 1 254 . LEU . 5234 1 255 . LEU . 5234 1 256 . PRO . 5234 1 257 . ASP . 5234 1 258 . TYR . 5234 1 259 . ASP . 5234 1 260 . ALA . 5234 1 261 . ALA . 5234 1 262 . THR . 5234 1 263 . VAL . 5234 1 264 . ALA . 5234 1 265 . VAL . 5234 1 266 . GLY . 5234 1 267 . GLU . 5234 1 268 . ASP . 5234 1 269 . ALA . 5234 1 270 . MET . 5234 1 271 . GLU . 5234 1 272 . GLY . 5234 1 273 . SER . 5234 1 274 . LEU . 5234 1 275 . ASP . 5234 1 276 . GLU . 5234 1 277 . ILE . 5234 1 278 . THR . 5234 1 279 . SER . 5234 1 280 . ARG . 5234 1 281 . LEU . 5234 1 282 . GLU . 5234 1 283 . HIS . 5234 1 284 . HIS . 5234 1 285 . HIS . 5234 1 286 . HIS . 5234 1 287 . HIS . 5234 1 288 . HIS . 5234 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 5234 1 . GLY 2 2 5234 1 . ARG 3 3 5234 1 . GLN 4 4 5234 1 . LEU 5 5 5234 1 . GLN 6 6 5234 1 . ASN 7 7 5234 1 . VAL 8 8 5234 1 . ALA 9 9 5234 1 . ALA 10 10 5234 1 . GLN 11 11 5234 1 . ASP 12 12 5234 1 . VAL 13 13 5234 1 . SER 14 14 5234 1 . ALA 15 15 5234 1 . PHE 16 16 5234 1 . SER 17 17 5234 1 . GLN 18 18 5234 1 . ILE 19 19 5234 1 . VAL 20 20 5234 1 . ALA 21 21 5234 1 . VAL 22 22 5234 1 . SER 23 23 5234 1 . PRO 24 24 5234 1 . LYS 25 25 5234 1 . MET 26 26 5234 1 . LYS 27 27 5234 1 . HIS 28 28 5234 1 . VAL 29 29 5234 1 . VAL 30 30 5234 1 . GLU 31 31 5234 1 . GLN 32 32 5234 1 . ALA 33 33 5234 1 . GLN 34 34 5234 1 . LYS 35 35 5234 1 . LEU 36 36 5234 1 . ALA 37 37 5234 1 . MET 38 38 5234 1 . LEU 39 39 5234 1 . SER 40 40 5234 1 . ALA 41 41 5234 1 . PRO 42 42 5234 1 . LEU 43 43 5234 1 . LEU 44 44 5234 1 . ILE 45 45 5234 1 . THR 46 46 5234 1 . GLY 47 47 5234 1 . ASP 48 48 5234 1 . THR 49 49 5234 1 . GLY 50 50 5234 1 . THR 51 51 5234 1 . GLY 52 52 5234 1 . LYS 53 53 5234 1 . ASP 54 54 5234 1 . LEU 55 55 5234 1 . PHE 56 56 5234 1 . ALA 57 57 5234 1 . TYR 58 58 5234 1 . ALA 59 59 5234 1 . CYS 60 60 5234 1 . HIS 61 61 5234 1 . GLN 62 62 5234 1 . ALA 63 63 5234 1 . SER 64 64 5234 1 . PRO 65 65 5234 1 . ARG 66 66 5234 1 . ALA 67 67 5234 1 . GLY 68 68 5234 1 . LYS 69 69 5234 1 . PRO 70 70 5234 1 . TYR 71 71 5234 1 . LEU 72 72 5234 1 . ALA 73 73 5234 1 . LEU 74 74 5234 1 . ASN 75 75 5234 1 . CYS 76 76 5234 1 . ALA 77 77 5234 1 . SER 78 78 5234 1 . ILE 79 79 5234 1 . PRO 80 80 5234 1 . GLU 81 81 5234 1 . ASP 82 82 5234 1 . ALA 83 83 5234 1 . VAL 84 84 5234 1 . GLU 85 85 5234 1 . SER 86 86 5234 1 . GLU 87 87 5234 1 . LEU 88 88 5234 1 . PHE 89 89 5234 1 . GLY 90 90 5234 1 . HIS 91 91 5234 1 . ALA 92 92 5234 1 . PRO 93 93 5234 1 . GLU 94 94 5234 1 . GLY 95 95 5234 1 . LYS 96 96 5234 1 . LYS 97 97 5234 1 . GLY 98 98 5234 1 . PHE 99 99 5234 1 . PHE 100 100 5234 1 . GLU 101 101 5234 1 . GLN 102 102 5234 1 . ALA 103 103 5234 1 . ASN 104 104 5234 1 . GLY 105 105 5234 1 . GLY 106 106 5234 1 . SER 107 107 5234 1 . VAL 108 108 5234 1 . LEU 109 109 5234 1 . LEU 110 110 5234 1 . ASP 111 111 5234 1 . GLU 112 112 5234 1 . ILE 113 113 5234 1 . GLY 114 114 5234 1 . GLU 115 115 5234 1 . MET 116 116 5234 1 . SER 117 117 5234 1 . PRO 118 118 5234 1 . ARG 119 119 5234 1 . MET 120 120 5234 1 . GLN 121 121 5234 1 . ALA 122 122 5234 1 . LYS 123 123 5234 1 . LEU 124 124 5234 1 . LEU 125 125 5234 1 . ARG 126 126 5234 1 . PHE 127 127 5234 1 . LEU 128 128 5234 1 . ASN 129 129 5234 1 . ASP 130 130 5234 1 . GLY 131 131 5234 1 . THR 132 132 5234 1 . PHE 133 133 5234 1 . ARG 134 134 5234 1 . ARG 135 135 5234 1 . VAL 136 136 5234 1 . GLY 137 137 5234 1 . GLU 138 138 5234 1 . ASP 139 139 5234 1 . HIS 140 140 5234 1 . GLU 141 141 5234 1 . VAL 142 142 5234 1 . HIS 143 143 5234 1 . VAL 144 144 5234 1 . ASP 145 145 5234 1 . VAL 146 146 5234 1 . ARG 147 147 5234 1 . VAL 148 148 5234 1 . ILE 149 149 5234 1 . CYS 150 150 5234 1 . ALA 151 151 5234 1 . THR 152 152 5234 1 . GLN 153 153 5234 1 . LYS 154 154 5234 1 . ASN 155 155 5234 1 . LEU 156 156 5234 1 . VAL 157 157 5234 1 . GLU 158 158 5234 1 . LEU 159 159 5234 1 . VAL 160 160 5234 1 . GLN 161 161 5234 1 . LYS 162 162 5234 1 . GLY 163 163 5234 1 . MET 164 164 5234 1 . PHE 165 165 5234 1 . ARG 166 166 5234 1 . GLU 167 167 5234 1 . ASP 168 168 5234 1 . LEU 169 169 5234 1 . TYR 170 170 5234 1 . TYR 171 171 5234 1 . ARG 172 172 5234 1 . LEU 173 173 5234 1 . ASN 174 174 5234 1 . VAL 175 175 5234 1 . LEU 176 176 5234 1 . THR 177 177 5234 1 . LEU 178 178 5234 1 . ASN 179 179 5234 1 . LEU 180 180 5234 1 . PRO 181 181 5234 1 . PRO 182 182 5234 1 . LEU 183 183 5234 1 . ARG 184 184 5234 1 . ASP 185 185 5234 1 . CYS 186 186 5234 1 . PRO 187 187 5234 1 . GLN 188 188 5234 1 . ASP 189 189 5234 1 . ILE 190 190 5234 1 . MET 191 191 5234 1 . PRO 192 192 5234 1 . LEU 193 193 5234 1 . THR 194 194 5234 1 . GLU 195 195 5234 1 . LEU 196 196 5234 1 . PHE 197 197 5234 1 . VAL 198 198 5234 1 . ALA 199 199 5234 1 . ARG 200 200 5234 1 . PHE 201 201 5234 1 . ALA 202 202 5234 1 . ASP 203 203 5234 1 . GLU 204 204 5234 1 . GLN 205 205 5234 1 . GLY 206 206 5234 1 . VAL 207 207 5234 1 . PRO 208 208 5234 1 . LEU 209 209 5234 1 . PRO 210 210 5234 1 . LYS 211 211 5234 1 . LEU 212 212 5234 1 . ALA 213 213 5234 1 . ALA 214 214 5234 1 . ASP 215 215 5234 1 . LEU 216 216 5234 1 . ASN 217 217 5234 1 . THR 218 218 5234 1 . VAL 219 219 5234 1 . LEU 220 220 5234 1 . THR 221 221 5234 1 . ARG 222 222 5234 1 . TYR 223 223 5234 1 . ALA 224 224 5234 1 . TRP 225 225 5234 1 . PRO 226 226 5234 1 . GLY 227 227 5234 1 . ASN 228 228 5234 1 . VAL 229 229 5234 1 . ARG 230 230 5234 1 . GLN 231 231 5234 1 . LEU 232 232 5234 1 . LYS 233 233 5234 1 . ASN 234 234 5234 1 . ALA 235 235 5234 1 . ILE 236 236 5234 1 . TYR 237 237 5234 1 . ARG 238 238 5234 1 . ALA 239 239 5234 1 . LEU 240 240 5234 1 . THR 241 241 5234 1 . GLN 242 242 5234 1 . LEU 243 243 5234 1 . ASP 244 244 5234 1 . GLY 245 245 5234 1 . TYR 246 246 5234 1 . GLU 247 247 5234 1 . LEU 248 248 5234 1 . ARG 249 249 5234 1 . PRO 250 250 5234 1 . GLN 251 251 5234 1 . ASP 252 252 5234 1 . ILE 253 253 5234 1 . LEU 254 254 5234 1 . LEU 255 255 5234 1 . PRO 256 256 5234 1 . ASP 257 257 5234 1 . TYR 258 258 5234 1 . ASP 259 259 5234 1 . ALA 260 260 5234 1 . ALA 261 261 5234 1 . THR 262 262 5234 1 . VAL 263 263 5234 1 . ALA 264 264 5234 1 . VAL 265 265 5234 1 . GLY 266 266 5234 1 . GLU 267 267 5234 1 . ASP 268 268 5234 1 . ALA 269 269 5234 1 . MET 270 270 5234 1 . GLU 271 271 5234 1 . GLY 272 272 5234 1 . SER 273 273 5234 1 . LEU 274 274 5234 1 . ASP 275 275 5234 1 . GLU 276 276 5234 1 . ILE 277 277 5234 1 . THR 278 278 5234 1 . SER 279 279 5234 1 . ARG 280 280 5234 1 . LEU 281 281 5234 1 . GLU 282 282 5234 1 . HIS 283 283 5234 1 . HIS 284 284 5234 1 . HIS 285 285 5234 1 . HIS 286 286 5234 1 . HIS 287 287 5234 1 . HIS 288 288 5234 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 5234 _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 $TyrR . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5234 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 5234 _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 $TyrR . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5234 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5234 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'TyrR transcription factor central domain' '[U-13C; U-2H; U-15N]' . . 1 $TyrR . . 0.7 . . mM . . . . 5234 1 stop_ save_ ####################### # Sample conditions # ####################### save_Deuteration_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Deuteration_1 _Sample_condition_list.Entry_ID 5234 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 n/a 5234 1 temperature 293 1 K 5234 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 5234 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5234 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5234 _Software.ID 2 _Software.Name XEASY _Software.Version 1.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 5234 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5234 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5234 _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 NMR_spectrometer Varian INOVA . 600 . . . 5234 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 5234 _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 'Trosy HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5234 1 2 'Trosy HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5234 1 3 'Trosy HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5234 1 4 'Trosy HN(CO)CB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5234 1 5 'Trosy HN(CA)CB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5234 1 6 '1H-15N NOESY_HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5234 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5234 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'Trosy HNCA' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5234 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'Trosy HNCACB' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5234 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'Trosy HN(CO)CA' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5234 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'Trosy HN(CO)CB' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5234 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'Trosy HN(CA)CB' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5234 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N NOESY_HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5234 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5234 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5234 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 5234 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5234 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_bb_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode bb_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5234 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Deuteration_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5234 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 8 8 VAL N N 15 122.2 0.1 . 1 . . . . . . . . 5234 1 2 . 1 1 8 8 VAL H H 1 7.83 0.01 . 1 . . . . . . . . 5234 1 3 . 1 1 8 8 VAL CA C 13 61.7 0.2 . 1 . . . . . . . . 5234 1 4 . 1 1 8 8 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 5234 1 5 . 1 1 8 8 VAL C C 13 175.7 0.2 . 1 . . . . . . . . 5234 1 6 . 1 1 9 9 ALA N N 15 129.2 0.1 . 1 . . . . . . . . 5234 1 7 . 1 1 9 9 ALA H H 1 8.10 0.01 . 1 . . . . . . . . 5234 1 8 . 1 1 9 9 ALA CA C 13 51.8 0.2 . 1 . . . . . . . . 5234 1 9 . 1 1 9 9 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 5234 1 10 . 1 1 9 9 ALA C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 11 . 1 1 10 10 ALA N N 15 125.1 0.1 . 1 . . . . . . . . 5234 1 12 . 1 1 10 10 ALA H H 1 7.94 0.01 . 1 . . . . . . . . 5234 1 13 . 1 1 10 10 ALA CA C 13 51.9 0.2 . 1 . . . . . . . . 5234 1 14 . 1 1 10 10 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 5234 1 15 . 1 1 10 10 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 5234 1 16 . 1 1 11 11 GLN N N 15 121.2 0.1 . 1 . . . . . . . . 5234 1 17 . 1 1 11 11 GLN H H 1 8.03 0.01 . 1 . . . . . . . . 5234 1 18 . 1 1 11 11 GLN CA C 13 55.4 0.2 . 1 . . . . . . . . 5234 1 19 . 1 1 11 11 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 5234 1 20 . 1 1 11 11 GLN C C 13 175.6 0.2 . 1 . . . . . . . . 5234 1 21 . 1 1 12 12 ASP N N 15 123.9 0.1 . 1 . . . . . . . . 5234 1 22 . 1 1 12 12 ASP H H 1 8.19 0.01 . 1 . . . . . . . . 5234 1 23 . 1 1 12 12 ASP CA C 13 53.8 0.2 . 1 . . . . . . . . 5234 1 24 . 1 1 12 12 ASP CB C 13 40.3 0.2 . 1 . . . . . . . . 5234 1 25 . 1 1 12 12 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 5234 1 26 . 1 1 13 13 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 5234 1 27 . 1 1 13 13 VAL H H 1 7.85 0.01 . 1 . . . . . . . . 5234 1 28 . 1 1 13 13 VAL CA C 13 61.4 0.2 . 1 . . . . . . . . 5234 1 29 . 1 1 13 13 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 5234 1 30 . 1 1 16 16 PHE N N 15 115.5 0.1 . 1 . . . . . . . . 5234 1 31 . 1 1 16 16 PHE H H 1 7.87 0.01 . 1 . . . . . . . . 5234 1 32 . 1 1 16 16 PHE CA C 13 58.8 0.2 . 1 . . . . . . . . 5234 1 33 . 1 1 16 16 PHE CB C 13 37.5 0.2 . 1 . . . . . . . . 5234 1 34 . 1 1 16 16 PHE C C 13 177.0 0.2 . 1 . . . . . . . . 5234 1 35 . 1 1 17 17 SER N N 15 117.3 0.1 . 1 . . . . . . . . 5234 1 36 . 1 1 17 17 SER H H 1 7.51 0.01 . 1 . . . . . . . . 5234 1 37 . 1 1 17 17 SER CA C 13 61.1 0.2 . 1 . . . . . . . . 5234 1 38 . 1 1 17 17 SER CB C 13 62.9 0.2 . 1 . . . . . . . . 5234 1 39 . 1 1 18 18 GLN N N 15 119.6 0.1 . 1 . . . . . . . . 5234 1 40 . 1 1 18 18 GLN H H 1 7.84 0.01 . 1 . . . . . . . . 5234 1 41 . 1 1 18 18 GLN CA C 13 54.9 0.2 . 1 . . . . . . . . 5234 1 42 . 1 1 19 19 ILE N N 15 123.3 0.1 . 1 . . . . . . . . 5234 1 43 . 1 1 19 19 ILE H H 1 7.10 0.01 . 1 . . . . . . . . 5234 1 44 . 1 1 19 19 ILE CA C 13 59.4 0.2 . 1 . . . . . . . . 5234 1 45 . 1 1 20 20 VAL N N 15 111.1 0.1 . 1 . . . . . . . . 5234 1 46 . 1 1 20 20 VAL H H 1 7.83 0.01 . 1 . . . . . . . . 5234 1 47 . 1 1 20 20 VAL CA C 13 63.6 0.2 . 1 . . . . . . . . 5234 1 48 . 1 1 20 20 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 5234 1 49 . 1 1 21 21 ALA N N 15 113.2 0.1 . 1 . . . . . . . . 5234 1 50 . 1 1 21 21 ALA H H 1 8.33 0.01 . 1 . . . . . . . . 5234 1 51 . 1 1 21 21 ALA CA C 13 50.3 0.2 . 1 . . . . . . . . 5234 1 52 . 1 1 25 25 LYS N N 15 115.9 0.1 . 1 . . . . . . . . 5234 1 53 . 1 1 25 25 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 5234 1 54 . 1 1 25 25 LYS CA C 13 59.5 0.2 . 1 . . . . . . . . 5234 1 55 . 1 1 25 25 LYS CB C 13 32.2 0.2 . 1 . . . . . . . . 5234 1 56 . 1 1 25 25 LYS C C 13 180.0 0.2 . 1 . . . . . . . . 5234 1 57 . 1 1 26 26 MET N N 15 120.5 0.1 . 1 . . . . . . . . 5234 1 58 . 1 1 26 26 MET H H 1 7.66 0.01 . 1 . . . . . . . . 5234 1 59 . 1 1 26 26 MET CA C 13 55.3 0.2 . 1 . . . . . . . . 5234 1 60 . 1 1 26 26 MET CB C 13 29.5 0.2 . 1 . . . . . . . . 5234 1 61 . 1 1 26 26 MET C C 13 178.8 0.2 . 1 . . . . . . . . 5234 1 62 . 1 1 27 27 LYS N N 15 122.3 0.1 . 1 . . . . . . . . 5234 1 63 . 1 1 27 27 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 5234 1 64 . 1 1 27 27 LYS CA C 13 60.2 0.2 . 1 . . . . . . . . 5234 1 65 . 1 1 27 27 LYS CB C 13 31.3 0.2 . 1 . . . . . . . . 5234 1 66 . 1 1 27 27 LYS C C 13 179.4 0.2 . 1 . . . . . . . . 5234 1 67 . 1 1 28 28 HIS N N 15 118.4 0.1 . 1 . . . . . . . . 5234 1 68 . 1 1 28 28 HIS H H 1 7.47 0.01 . 1 . . . . . . . . 5234 1 69 . 1 1 28 28 HIS CA C 13 59.0 0.2 . 1 . . . . . . . . 5234 1 70 . 1 1 28 28 HIS CB C 13 29.8 0.2 . 1 . . . . . . . . 5234 1 71 . 1 1 28 28 HIS C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 72 . 1 1 29 29 VAL N N 15 120.4 0.1 . 1 . . . . . . . . 5234 1 73 . 1 1 29 29 VAL H H 1 7.40 0.01 . 1 . . . . . . . . 5234 1 74 . 1 1 29 29 VAL CA C 13 65.6 0.2 . 1 . . . . . . . . 5234 1 75 . 1 1 29 29 VAL CB C 13 30.5 0.2 . 1 . . . . . . . . 5234 1 76 . 1 1 29 29 VAL C C 13 177.9 0.2 . 1 . . . . . . . . 5234 1 77 . 1 1 30 30 VAL H H 1 8.09 0.01 . 1 . . . . . . . . 5234 1 78 . 1 1 30 30 VAL CA C 13 67.1 0.2 . 1 . . . . . . . . 5234 1 79 . 1 1 30 30 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 5234 1 80 . 1 1 30 30 VAL C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 81 . 1 1 31 31 GLU N N 15 121.4 0.1 . 1 . . . . . . . . 5234 1 82 . 1 1 31 31 GLU H H 1 7.51 0.01 . 1 . . . . . . . . 5234 1 83 . 1 1 31 31 GLU CA C 13 59.0 0.2 . 1 . . . . . . . . 5234 1 84 . 1 1 31 31 GLU CB C 13 28.3 0.2 . 1 . . . . . . . . 5234 1 85 . 1 1 31 31 GLU C C 13 180.1 0.2 . 1 . . . . . . . . 5234 1 86 . 1 1 32 32 GLN N N 15 119.7 0.1 . 1 . . . . . . . . 5234 1 87 . 1 1 32 32 GLN H H 1 7.83 0.01 . 1 . . . . . . . . 5234 1 88 . 1 1 32 32 GLN CA C 13 57.8 0.2 . 1 . . . . . . . . 5234 1 89 . 1 1 32 32 GLN CB C 13 28.2 0.2 . 1 . . . . . . . . 5234 1 90 . 1 1 32 32 GLN C C 13 178.6 0.2 . 1 . . . . . . . . 5234 1 91 . 1 1 33 33 ALA N N 15 124.8 0.1 . 1 . . . . . . . . 5234 1 92 . 1 1 33 33 ALA H H 1 8.73 0.01 . 1 . . . . . . . . 5234 1 93 . 1 1 33 33 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 5234 1 94 . 1 1 33 33 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 5234 1 95 . 1 1 33 33 ALA C C 13 177.5 0.2 . 1 . . . . . . . . 5234 1 96 . 1 1 34 34 GLN N N 15 116.7 0.1 . 1 . . . . . . . . 5234 1 97 . 1 1 34 34 GLN H H 1 7.60 0.01 . 1 . . . . . . . . 5234 1 98 . 1 1 34 34 GLN CA C 13 58.8 0.2 . 1 . . . . . . . . 5234 1 99 . 1 1 34 34 GLN CB C 13 27.7 0.2 . 1 . . . . . . . . 5234 1 100 . 1 1 34 34 GLN C C 13 178.1 0.2 . 1 . . . . . . . . 5234 1 101 . 1 1 35 35 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 5234 1 102 . 1 1 35 35 LYS H H 1 6.87 0.01 . 1 . . . . . . . . 5234 1 103 . 1 1 35 35 LYS CA C 13 58.3 0.2 . 1 . . . . . . . . 5234 1 104 . 1 1 35 35 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 5234 1 105 . 1 1 35 35 LYS C C 13 179.9 0.2 . 1 . . . . . . . . 5234 1 106 . 1 1 36 36 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 5234 1 107 . 1 1 36 36 LEU H H 1 8.23 0.01 . 1 . . . . . . . . 5234 1 108 . 1 1 36 36 LEU CA C 13 56.7 0.2 . 1 . . . . . . . . 5234 1 109 . 1 1 36 36 LEU CB C 13 40.4 0.2 . 1 . . . . . . . . 5234 1 110 . 1 1 36 36 LEU C C 13 180.3 0.2 . 1 . . . . . . . . 5234 1 111 . 1 1 37 37 ALA N N 15 123.5 0.1 . 1 . . . . . . . . 5234 1 112 . 1 1 37 37 ALA H H 1 8.61 0.01 . 1 . . . . . . . . 5234 1 113 . 1 1 37 37 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5234 1 114 . 1 1 37 37 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 5234 1 115 . 1 1 37 37 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 5234 1 116 . 1 1 38 38 MET N N 15 110.5 0.1 . 1 . . . . . . . . 5234 1 117 . 1 1 38 38 MET H H 1 6.72 0.01 . 1 . . . . . . . . 5234 1 118 . 1 1 38 38 MET CA C 13 54.8 0.2 . 1 . . . . . . . . 5234 1 119 . 1 1 38 38 MET CB C 13 30.9 0.2 . 1 . . . . . . . . 5234 1 120 . 1 1 38 38 MET C C 13 176.5 0.2 . 1 . . . . . . . . 5234 1 121 . 1 1 39 39 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 5234 1 122 . 1 1 39 39 LEU H H 1 6.84 0.01 . 1 . . . . . . . . 5234 1 123 . 1 1 39 39 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 5234 1 124 . 1 1 39 39 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 5234 1 125 . 1 1 39 39 LEU C C 13 174.4 0.2 . 1 . . . . . . . . 5234 1 126 . 1 1 41 41 ALA N N 15 127.3 0.1 . 1 . . . . . . . . 5234 1 127 . 1 1 41 41 ALA H H 1 6.76 0.01 . 1 . . . . . . . . 5234 1 128 . 1 1 41 41 ALA CA C 13 50.4 0.2 . 1 . . . . . . . . 5234 1 129 . 1 1 41 41 ALA CB C 13 16.9 0.2 . 1 . . . . . . . . 5234 1 130 . 1 1 43 43 LEU N N 15 123.6 0.1 . 1 . . . . . . . . 5234 1 131 . 1 1 43 43 LEU H H 1 7.77 0.01 . 1 . . . . . . . . 5234 1 132 . 1 1 43 43 LEU CA C 13 52.6 0.2 . 1 . . . . . . . . 5234 1 133 . 1 1 43 43 LEU CB C 13 45.6 0.2 . 1 . . . . . . . . 5234 1 134 . 1 1 43 43 LEU C C 13 173.7 0.2 . 1 . . . . . . . . 5234 1 135 . 1 1 44 44 LEU N N 15 128.8 0.1 . 1 . . . . . . . . 5234 1 136 . 1 1 44 44 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5234 1 137 . 1 1 44 44 LEU CA C 13 53.0 0.2 . 1 . . . . . . . . 5234 1 138 . 1 1 44 44 LEU CB C 13 43.3 0.2 . 1 . . . . . . . . 5234 1 139 . 1 1 44 44 LEU C C 13 174.5 0.2 . 1 . . . . . . . . 5234 1 140 . 1 1 45 45 ILE N N 15 129.8 0.1 . 1 . . . . . . . . 5234 1 141 . 1 1 45 45 ILE H H 1 9.23 0.01 . 1 . . . . . . . . 5234 1 142 . 1 1 45 45 ILE CA C 13 59.5 0.2 . 1 . . . . . . . . 5234 1 143 . 1 1 45 45 ILE CB C 13 38.9 0.2 . 1 . . . . . . . . 5234 1 144 . 1 1 45 45 ILE C C 13 175.4 0.2 . 1 . . . . . . . . 5234 1 145 . 1 1 46 46 THR N N 15 120.7 0.1 . 1 . . . . . . . . 5234 1 146 . 1 1 46 46 THR H H 1 8.78 0.01 . 1 . . . . . . . . 5234 1 147 . 1 1 46 46 THR CA C 13 58.8 0.2 . 1 . . . . . . . . 5234 1 148 . 1 1 46 46 THR CB C 13 70.3 0.2 . 1 . . . . . . . . 5234 1 149 . 1 1 46 46 THR C C 13 174.0 0.2 . 1 . . . . . . . . 5234 1 150 . 1 1 47 47 GLY N N 15 110.1 0.1 . 1 . . . . . . . . 5234 1 151 . 1 1 47 47 GLY H H 1 7.58 0.01 . 1 . . . . . . . . 5234 1 152 . 1 1 47 47 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 5234 1 153 . 1 1 47 47 GLY C C 13 173.4 0.2 . 1 . . . . . . . . 5234 1 154 . 1 1 48 48 ASP N N 15 125.1 0.1 . 1 . . . . . . . . 5234 1 155 . 1 1 48 48 ASP H H 1 9.18 0.01 . 1 . . . . . . . . 5234 1 156 . 1 1 48 48 ASP CA C 13 53.7 0.2 . 1 . . . . . . . . 5234 1 157 . 1 1 48 48 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 5234 1 158 . 1 1 49 49 THR N N 15 119.4 0.1 . 1 . . . . . . . . 5234 1 159 . 1 1 49 49 THR H H 1 8.72 0.01 . 1 . . . . . . . . 5234 1 160 . 1 1 49 49 THR CA C 13 63.3 0.2 . 1 . . . . . . . . 5234 1 161 . 1 1 49 49 THR CB C 13 68.5 0.2 . 1 . . . . . . . . 5234 1 162 . 1 1 51 51 THR N N 15 112.8 0.1 . 1 . . . . . . . . 5234 1 163 . 1 1 51 51 THR H H 1 7.77 0.01 . 1 . . . . . . . . 5234 1 164 . 1 1 51 51 THR CA C 13 62.3 0.2 . 1 . . . . . . . . 5234 1 165 . 1 1 51 51 THR CB C 13 70.1 0.2 . 1 . . . . . . . . 5234 1 166 . 1 1 54 54 ASP N N 15 117.4 0.1 . 1 . . . . . . . . 5234 1 167 . 1 1 54 54 ASP H H 1 8.48 0.01 . 1 . . . . . . . . 5234 1 168 . 1 1 55 55 LEU N N 15 125.2 0.1 . 1 . . . . . . . . 5234 1 169 . 1 1 55 55 LEU H H 1 7.41 0.01 . 1 . . . . . . . . 5234 1 170 . 1 1 56 56 PHE N N 15 121.2 0.1 . 1 . . . . . . . . 5234 1 171 . 1 1 56 56 PHE H H 1 8.22 0.01 . 1 . . . . . . . . 5234 1 172 . 1 1 56 56 PHE CA C 13 62.4 0.2 . 1 . . . . . . . . 5234 1 173 . 1 1 57 57 ALA N N 15 124.1 0.1 . 1 . . . . . . . . 5234 1 174 . 1 1 57 57 ALA H H 1 8.33 0.01 . 1 . . . . . . . . 5234 1 175 . 1 1 57 57 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 5234 1 176 . 1 1 57 57 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5234 1 177 . 1 1 57 57 ALA C C 13 177.9 0.2 . 1 . . . . . . . . 5234 1 178 . 1 1 58 58 TYR N N 15 118.3 0.1 . 1 . . . . . . . . 5234 1 179 . 1 1 58 58 TYR H H 1 7.10 0.01 . 1 . . . . . . . . 5234 1 180 . 1 1 58 58 TYR CA C 13 59.4 0.2 . 1 . . . . . . . . 5234 1 181 . 1 1 58 58 TYR CB C 13 36.7 0.2 . 1 . . . . . . . . 5234 1 182 . 1 1 58 58 TYR C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 183 . 1 1 59 59 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 5234 1 184 . 1 1 59 59 ALA H H 1 7.64 0.01 . 1 . . . . . . . . 5234 1 185 . 1 1 59 59 ALA CA C 13 54.4 0.2 . 1 . . . . . . . . 5234 1 186 . 1 1 59 59 ALA CB C 13 16.8 0.2 . 1 . . . . . . . . 5234 1 187 . 1 1 59 59 ALA C C 13 180.5 0.2 . 1 . . . . . . . . 5234 1 188 . 1 1 60 60 CYS N N 15 118.9 0.1 . 1 . . . . . . . . 5234 1 189 . 1 1 60 60 CYS H H 1 8.19 0.01 . 1 . . . . . . . . 5234 1 190 . 1 1 60 60 CYS CA C 13 64.1 0.2 . 1 . . . . . . . . 5234 1 191 . 1 1 60 60 CYS CB C 13 26.7 0.2 . 1 . . . . . . . . 5234 1 192 . 1 1 60 60 CYS C C 13 176.3 0.2 . 1 . . . . . . . . 5234 1 193 . 1 1 61 61 HIS N N 15 120.4 0.1 . 1 . . . . . . . . 5234 1 194 . 1 1 61 61 HIS H H 1 7.34 0.01 . 1 . . . . . . . . 5234 1 195 . 1 1 61 61 HIS CA C 13 60.0 0.2 . 1 . . . . . . . . 5234 1 196 . 1 1 61 61 HIS CB C 13 30.7 0.2 . 1 . . . . . . . . 5234 1 197 . 1 1 61 61 HIS C C 13 179.7 0.2 . 1 . . . . . . . . 5234 1 198 . 1 1 62 62 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 5234 1 199 . 1 1 62 62 GLN H H 1 8.04 0.01 . 1 . . . . . . . . 5234 1 200 . 1 1 62 62 GLN CA C 13 57.5 0.2 . 1 . . . . . . . . 5234 1 201 . 1 1 62 62 GLN CB C 13 28.6 0.2 . 1 . . . . . . . . 5234 1 202 . 1 1 62 62 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 5234 1 203 . 1 1 63 63 ALA N N 15 122.2 0.1 . 1 . . . . . . . . 5234 1 204 . 1 1 63 63 ALA H H 1 7.49 0.01 . 1 . . . . . . . . 5234 1 205 . 1 1 63 63 ALA CA C 13 51.2 0.2 . 1 . . . . . . . . 5234 1 206 . 1 1 63 63 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 5234 1 207 . 1 1 63 63 ALA C C 13 176.0 0.2 . 1 . . . . . . . . 5234 1 208 . 1 1 64 64 SER N N 15 118.2 0.1 . 1 . . . . . . . . 5234 1 209 . 1 1 64 64 SER H H 1 7.23 0.01 . 1 . . . . . . . . 5234 1 210 . 1 1 64 64 SER CA C 13 57.2 0.2 . 1 . . . . . . . . 5234 1 211 . 1 1 64 64 SER CB C 13 64.8 0.2 . 1 . . . . . . . . 5234 1 212 . 1 1 66 66 ARG N N 15 118.2 0.1 . 1 . . . . . . . . 5234 1 213 . 1 1 66 66 ARG H H 1 7.60 0.01 . 1 . . . . . . . . 5234 1 214 . 1 1 67 67 ALA N N 15 123.4 0.1 . 1 . . . . . . . . 5234 1 215 . 1 1 67 67 ALA H H 1 6.68 0.01 . 1 . . . . . . . . 5234 1 216 . 1 1 67 67 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 5234 1 217 . 1 1 69 69 LYS N N 15 124.6 0.1 . 1 . . . . . . . . 5234 1 218 . 1 1 69 69 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 5234 1 219 . 1 1 69 69 LYS CA C 13 53.4 0.2 . 1 . . . . . . . . 5234 1 220 . 1 1 69 69 LYS CB C 13 29.6 0.2 . 1 . . . . . . . . 5234 1 221 . 1 1 71 71 TYR N N 15 121.5 0.1 . 1 . . . . . . . . 5234 1 222 . 1 1 71 71 TYR H H 1 7.34 0.01 . 1 . . . . . . . . 5234 1 223 . 1 1 71 71 TYR CA C 13 56.0 0.2 . 1 . . . . . . . . 5234 1 224 . 1 1 71 71 TYR CB C 13 39.7 0.2 . 1 . . . . . . . . 5234 1 225 . 1 1 71 71 TYR C C 13 174.7 0.2 . 1 . . . . . . . . 5234 1 226 . 1 1 72 72 LEU N N 15 129.3 0.1 . 1 . . . . . . . . 5234 1 227 . 1 1 72 72 LEU H H 1 6.85 0.01 . 1 . . . . . . . . 5234 1 228 . 1 1 72 72 LEU CA C 13 52.5 0.2 . 1 . . . . . . . . 5234 1 229 . 1 1 72 72 LEU CB C 13 45.5 0.2 . 1 . . . . . . . . 5234 1 230 . 1 1 72 72 LEU C C 13 173.0 0.2 . 1 . . . . . . . . 5234 1 231 . 1 1 73 73 ALA N N 15 122.2 0.1 . 1 . . . . . . . . 5234 1 232 . 1 1 73 73 ALA H H 1 7.72 0.01 . 1 . . . . . . . . 5234 1 233 . 1 1 73 73 ALA CA C 13 50.0 0.2 . 1 . . . . . . . . 5234 1 234 . 1 1 73 73 ALA CB C 13 22.1 0.2 . 1 . . . . . . . . 5234 1 235 . 1 1 73 73 ALA C C 13 175.7 0.2 . 1 . . . . . . . . 5234 1 236 . 1 1 74 74 LEU N N 15 124.3 0.1 . 1 . . . . . . . . 5234 1 237 . 1 1 74 74 LEU H H 1 8.79 0.01 . 1 . . . . . . . . 5234 1 238 . 1 1 74 74 LEU CA C 13 53.4 0.2 . 1 . . . . . . . . 5234 1 239 . 1 1 74 74 LEU CB C 13 44.5 0.2 . 1 . . . . . . . . 5234 1 240 . 1 1 74 74 LEU C C 13 174.1 0.2 . 1 . . . . . . . . 5234 1 241 . 1 1 75 75 ASN N N 15 124.6 0.1 . 1 . . . . . . . . 5234 1 242 . 1 1 75 75 ASN H H 1 8.47 0.01 . 1 . . . . . . . . 5234 1 243 . 1 1 75 75 ASN CA C 13 51.8 0.2 . 1 . . . . . . . . 5234 1 244 . 1 1 75 75 ASN CB C 13 38.1 0.2 . 1 . . . . . . . . 5234 1 245 . 1 1 75 75 ASN C C 13 176.3 0.2 . 1 . . . . . . . . 5234 1 246 . 1 1 76 76 CYS N N 15 125.7 0.1 . 1 . . . . . . . . 5234 1 247 . 1 1 76 76 CYS H H 1 8.60 0.01 . 1 . . . . . . . . 5234 1 248 . 1 1 76 76 CYS CA C 13 62.4 0.2 . 1 . . . . . . . . 5234 1 249 . 1 1 76 76 CYS CB C 13 26.6 0.2 . 1 . . . . . . . . 5234 1 250 . 1 1 76 76 CYS C C 13 174.5 0.2 . 1 . . . . . . . . 5234 1 251 . 1 1 77 77 ALA N N 15 120.0 0.1 . 1 . . . . . . . . 5234 1 252 . 1 1 77 77 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 5234 1 253 . 1 1 77 77 ALA CA C 13 52.4 0.2 . 1 . . . . . . . . 5234 1 254 . 1 1 77 77 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 5234 1 255 . 1 1 77 77 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 5234 1 256 . 1 1 78 78 SER N N 15 113.3 0.1 . 1 . . . . . . . . 5234 1 257 . 1 1 78 78 SER H H 1 7.34 0.01 . 1 . . . . . . . . 5234 1 258 . 1 1 78 78 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 5234 1 259 . 1 1 78 78 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 5234 1 260 . 1 1 78 78 SER C C 13 173.5 0.2 . 1 . . . . . . . . 5234 1 261 . 1 1 79 79 ILE N N 15 122.0 0.1 . 1 . . . . . . . . 5234 1 262 . 1 1 79 79 ILE H H 1 6.68 0.01 . 1 . . . . . . . . 5234 1 263 . 1 1 79 79 ILE CA C 13 57.1 0.2 . 1 . . . . . . . . 5234 1 264 . 1 1 79 79 ILE CB C 13 38.4 0.2 . 1 . . . . . . . . 5234 1 265 . 1 1 81 81 GLU N N 15 125.2 0.1 . 1 . . . . . . . . 5234 1 266 . 1 1 81 81 GLU H H 1 8.60 0.01 . 1 . . . . . . . . 5234 1 267 . 1 1 81 81 GLU CA C 13 58.8 0.2 . 1 . . . . . . . . 5234 1 268 . 1 1 81 81 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . 5234 1 269 . 1 1 81 81 GLU C C 13 178.1 0.2 . 1 . . . . . . . . 5234 1 270 . 1 1 82 82 ASP N N 15 116.8 0.1 . 1 . . . . . . . . 5234 1 271 . 1 1 82 82 ASP H H 1 8.40 0.01 . 1 . . . . . . . . 5234 1 272 . 1 1 82 82 ASP CA C 13 55.2 0.2 . 1 . . . . . . . . 5234 1 273 . 1 1 82 82 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 5234 1 274 . 1 1 82 82 ASP C C 13 176.7 0.2 . 1 . . . . . . . . 5234 1 275 . 1 1 83 83 ALA N N 15 123.7 0.1 . 1 . . . . . . . . 5234 1 276 . 1 1 83 83 ALA H H 1 7.52 0.01 . 1 . . . . . . . . 5234 1 277 . 1 1 83 83 ALA CA C 13 51.9 0.2 . 1 . . . . . . . . 5234 1 278 . 1 1 83 83 ALA CB C 13 19.4 0.2 . 1 . . . . . . . . 5234 1 279 . 1 1 83 83 ALA C C 13 178.3 0.2 . 1 . . . . . . . . 5234 1 280 . 1 1 84 84 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 5234 1 281 . 1 1 84 84 VAL H H 1 7.15 0.01 . 1 . . . . . . . . 5234 1 282 . 1 1 84 84 VAL CA C 13 66.4 0.2 . 1 . . . . . . . . 5234 1 283 . 1 1 84 84 VAL CB C 13 30.7 0.2 . 1 . . . . . . . . 5234 1 284 . 1 1 84 84 VAL C C 13 176.0 0.2 . 1 . . . . . . . . 5234 1 285 . 1 1 85 85 GLU N N 15 122.5 0.1 . 1 . . . . . . . . 5234 1 286 . 1 1 85 85 GLU H H 1 8.36 0.01 . 1 . . . . . . . . 5234 1 287 . 1 1 85 85 GLU CA C 13 60.1 0.2 . 1 . . . . . . . . 5234 1 288 . 1 1 85 85 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 5234 1 289 . 1 1 85 85 GLU C C 13 178.3 0.2 . 1 . . . . . . . . 5234 1 290 . 1 1 86 86 SER N N 15 115.1 0.1 . 1 . . . . . . . . 5234 1 291 . 1 1 86 86 SER H H 1 7.83 0.01 . 1 . . . . . . . . 5234 1 292 . 1 1 86 86 SER CA C 13 60.2 0.2 . 1 . . . . . . . . 5234 1 293 . 1 1 86 86 SER CB C 13 62.4 0.2 . 1 . . . . . . . . 5234 1 294 . 1 1 86 86 SER C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 295 . 1 1 87 87 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 5234 1 296 . 1 1 87 87 GLU H H 1 7.89 0.01 . 1 . . . . . . . . 5234 1 297 . 1 1 87 87 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 5234 1 298 . 1 1 87 87 GLU CB C 13 28.5 0.2 . 1 . . . . . . . . 5234 1 299 . 1 1 87 87 GLU C C 13 178.7 0.2 . 1 . . . . . . . . 5234 1 300 . 1 1 88 88 LEU N N 15 116.8 0.1 . 1 . . . . . . . . 5234 1 301 . 1 1 88 88 LEU H H 1 7.68 0.01 . 1 . . . . . . . . 5234 1 302 . 1 1 88 88 LEU CA C 13 57.1 0.2 . 1 . . . . . . . . 5234 1 303 . 1 1 88 88 LEU CB C 13 40.2 0.2 . 1 . . . . . . . . 5234 1 304 . 1 1 88 88 LEU C C 13 177.6 0.2 . 1 . . . . . . . . 5234 1 305 . 1 1 89 89 PHE N N 15 117.3 0.1 . 1 . . . . . . . . 5234 1 306 . 1 1 89 89 PHE H H 1 8.20 0.01 . 1 . . . . . . . . 5234 1 307 . 1 1 89 89 PHE CA C 13 56.1 0.2 . 1 . . . . . . . . 5234 1 308 . 1 1 89 89 PHE CB C 13 38.4 0.2 . 1 . . . . . . . . 5234 1 309 . 1 1 89 89 PHE C C 13 175.9 0.2 . 1 . . . . . . . . 5234 1 310 . 1 1 90 90 GLY N N 15 110.8 0.1 . 1 . . . . . . . . 5234 1 311 . 1 1 90 90 GLY H H 1 7.50 0.01 . 1 . . . . . . . . 5234 1 312 . 1 1 90 90 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 5234 1 313 . 1 1 90 90 GLY C C 13 172.1 0.2 . 1 . . . . . . . . 5234 1 314 . 1 1 91 91 HIS N N 15 120.5 0.1 . 1 . . . . . . . . 5234 1 315 . 1 1 91 91 HIS H H 1 8.24 0.01 . 1 . . . . . . . . 5234 1 316 . 1 1 91 91 HIS CA C 13 55.9 0.2 . 1 . . . . . . . . 5234 1 317 . 1 1 91 91 HIS CB C 13 33.2 0.2 . 1 . . . . . . . . 5234 1 318 . 1 1 91 91 HIS C C 13 175.4 0.2 . 1 . . . . . . . . 5234 1 319 . 1 1 92 92 ALA N N 15 110.8 0.1 . 1 . . . . . . . . 5234 1 320 . 1 1 92 92 ALA H H 1 8.87 0.01 . 1 . . . . . . . . 5234 1 321 . 1 1 92 92 ALA CA C 13 55.7 0.2 . 1 . . . . . . . . 5234 1 322 . 1 1 92 92 ALA CB C 13 15.5 0.2 . 1 . . . . . . . . 5234 1 323 . 1 1 94 94 GLU N N 15 114.6 0.1 . 1 . . . . . . . . 5234 1 324 . 1 1 94 94 GLU H H 1 7.79 0.01 . 1 . . . . . . . . 5234 1 325 . 1 1 94 94 GLU CA C 13 55.8 0.2 . 1 . . . . . . . . 5234 1 326 . 1 1 94 94 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 5234 1 327 . 1 1 94 94 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 5234 1 328 . 1 1 95 95 GLY N N 15 112.5 0.1 . 1 . . . . . . . . 5234 1 329 . 1 1 95 95 GLY H H 1 8.03 0.01 . 1 . . . . . . . . 5234 1 330 . 1 1 95 95 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5234 1 331 . 1 1 95 95 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 5234 1 332 . 1 1 96 96 LYS N N 15 121.8 0.1 . 1 . . . . . . . . 5234 1 333 . 1 1 96 96 LYS H H 1 7.68 0.01 . 1 . . . . . . . . 5234 1 334 . 1 1 96 96 LYS CA C 13 54.7 0.2 . 1 . . . . . . . . 5234 1 335 . 1 1 96 96 LYS CB C 13 33.6 0.2 . 1 . . . . . . . . 5234 1 336 . 1 1 97 97 LYS N N 15 110.4 0.1 . 1 . . . . . . . . 5234 1 337 . 1 1 97 97 LYS H H 1 8.77 0.01 . 1 . . . . . . . . 5234 1 338 . 1 1 97 97 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 5234 1 339 . 1 1 98 98 GLY N N 15 114.4 0.1 . 1 . . . . . . . . 5234 1 340 . 1 1 98 98 GLY H H 1 9.18 0.01 . 1 . . . . . . . . 5234 1 341 . 1 1 98 98 GLY CA C 13 44.2 0.2 . 1 . . . . . . . . 5234 1 342 . 1 1 98 98 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 5234 1 343 . 1 1 99 99 PHE N N 15 122.2 0.1 . 1 . . . . . . . . 5234 1 344 . 1 1 99 99 PHE H H 1 8.73 0.01 . 1 . . . . . . . . 5234 1 345 . 1 1 99 99 PHE CA C 13 59.3 0.2 . 1 . . . . . . . . 5234 1 346 . 1 1 99 99 PHE CB C 13 38.8 0.2 . 1 . . . . . . . . 5234 1 347 . 1 1 100 100 PHE N N 15 115.0 0.1 . 1 . . . . . . . . 5234 1 348 . 1 1 100 100 PHE H H 1 7.48 0.01 . 1 . . . . . . . . 5234 1 349 . 1 1 101 101 GLU N N 15 117.1 0.1 . 1 . . . . . . . . 5234 1 350 . 1 1 101 101 GLU H H 1 7.74 0.01 . 1 . . . . . . . . 5234 1 351 . 1 1 101 101 GLU CA C 13 59.2 0.2 . 1 . . . . . . . . 5234 1 352 . 1 1 101 101 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 5234 1 353 . 1 1 102 102 GLN N N 15 120.1 0.1 . 1 . . . . . . . . 5234 1 354 . 1 1 102 102 GLN H H 1 8.04 0.01 . 1 . . . . . . . . 5234 1 355 . 1 1 102 102 GLN CA C 13 58.3 0.2 . 1 . . . . . . . . 5234 1 356 . 1 1 102 102 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 5234 1 357 . 1 1 102 102 GLN C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 358 . 1 1 103 103 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 5234 1 359 . 1 1 103 103 ALA H H 1 7.49 0.01 . 1 . . . . . . . . 5234 1 360 . 1 1 103 103 ALA CA C 13 50.4 0.2 . 1 . . . . . . . . 5234 1 361 . 1 1 103 103 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 5234 1 362 . 1 1 103 103 ALA C C 13 175.1 0.2 . 1 . . . . . . . . 5234 1 363 . 1 1 104 104 ASN N N 15 117.6 0.1 . 1 . . . . . . . . 5234 1 364 . 1 1 104 104 ASN H H 1 6.55 0.01 . 1 . . . . . . . . 5234 1 365 . 1 1 104 104 ASN CA C 13 55.6 0.2 . 1 . . . . . . . . 5234 1 366 . 1 1 104 104 ASN CB C 13 37.9 0.2 . 1 . . . . . . . . 5234 1 367 . 1 1 104 104 ASN C C 13 175.8 0.2 . 1 . . . . . . . . 5234 1 368 . 1 1 105 105 GLY N N 15 119.6 0.1 . 1 . . . . . . . . 5234 1 369 . 1 1 105 105 GLY H H 1 8.82 0.01 . 1 . . . . . . . . 5234 1 370 . 1 1 105 105 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 5234 1 371 . 1 1 105 105 GLY C C 13 173.7 0.2 . 1 . . . . . . . . 5234 1 372 . 1 1 106 106 GLY N N 15 113.0 0.1 . 1 . . . . . . . . 5234 1 373 . 1 1 106 106 GLY H H 1 9.19 0.01 . 1 . . . . . . . . 5234 1 374 . 1 1 106 106 GLY CA C 13 43.7 0.2 . 1 . . . . . . . . 5234 1 375 . 1 1 106 106 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 5234 1 376 . 1 1 107 107 SER N N 15 120.6 0.1 . 1 . . . . . . . . 5234 1 377 . 1 1 107 107 SER H H 1 8.51 0.01 . 1 . . . . . . . . 5234 1 378 . 1 1 107 107 SER CA C 13 56.7 0.2 . 1 . . . . . . . . 5234 1 379 . 1 1 107 107 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 5234 1 380 . 1 1 107 107 SER C C 13 171.3 0.2 . 1 . . . . . . . . 5234 1 381 . 1 1 108 108 VAL N N 15 118.9 0.1 . 1 . . . . . . . . 5234 1 382 . 1 1 108 108 VAL H H 1 7.97 0.01 . 1 . . . . . . . . 5234 1 383 . 1 1 108 108 VAL CA C 13 57.8 0.2 . 1 . . . . . . . . 5234 1 384 . 1 1 108 108 VAL CB C 13 35.4 0.2 . 1 . . . . . . . . 5234 1 385 . 1 1 108 108 VAL C C 13 173.4 0.2 . 1 . . . . . . . . 5234 1 386 . 1 1 109 109 LEU N N 15 126.3 0.1 . 1 . . . . . . . . 5234 1 387 . 1 1 109 109 LEU H H 1 8.10 0.01 . 1 . . . . . . . . 5234 1 388 . 1 1 109 109 LEU CA C 13 52.2 0.2 . 1 . . . . . . . . 5234 1 389 . 1 1 109 109 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 5234 1 390 . 1 1 109 109 LEU C C 13 175.2 0.2 . 1 . . . . . . . . 5234 1 391 . 1 1 110 110 LEU N N 15 128.5 0.1 . 1 . . . . . . . . 5234 1 392 . 1 1 110 110 LEU H H 1 9.14 0.01 . 1 . . . . . . . . 5234 1 393 . 1 1 110 110 LEU CA C 13 52.3 0.2 . 1 . . . . . . . . 5234 1 394 . 1 1 110 110 LEU CB C 13 40.9 0.2 . 1 . . . . . . . . 5234 1 395 . 1 1 110 110 LEU C C 13 174.5 0.2 . 1 . . . . . . . . 5234 1 396 . 1 1 111 111 ASP N N 15 125.1 0.1 . 1 . . . . . . . . 5234 1 397 . 1 1 111 111 ASP H H 1 8.72 0.01 . 1 . . . . . . . . 5234 1 398 . 1 1 111 111 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 5234 1 399 . 1 1 111 111 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 5234 1 400 . 1 1 111 111 ASP C C 13 175.4 0.2 . 1 . . . . . . . . 5234 1 401 . 1 1 112 112 GLU N N 15 126.5 0.1 . 1 . . . . . . . . 5234 1 402 . 1 1 112 112 GLU H H 1 8.23 0.01 . 1 . . . . . . . . 5234 1 403 . 1 1 112 112 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 5234 1 404 . 1 1 112 112 GLU CB C 13 26.3 0.2 . 1 . . . . . . . . 5234 1 405 . 1 1 112 112 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 5234 1 406 . 1 1 113 113 ILE N N 15 117.9 0.1 . 1 . . . . . . . . 5234 1 407 . 1 1 113 113 ILE H H 1 7.55 0.01 . 1 . . . . . . . . 5234 1 408 . 1 1 113 113 ILE CA C 13 60.6 0.2 . 1 . . . . . . . . 5234 1 409 . 1 1 113 113 ILE C C 13 175.7 0.2 . 1 . . . . . . . . 5234 1 410 . 1 1 114 114 GLY N N 15 109.8 0.1 . 1 . . . . . . . . 5234 1 411 . 1 1 114 114 GLY H H 1 8.53 0.01 . 1 . . . . . . . . 5234 1 412 . 1 1 114 114 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5234 1 413 . 1 1 114 114 GLY C C 13 173.8 0.2 . 1 . . . . . . . . 5234 1 414 . 1 1 115 115 GLU N N 15 117.3 0.1 . 1 . . . . . . . . 5234 1 415 . 1 1 115 115 GLU H H 1 7.70 0.01 . 1 . . . . . . . . 5234 1 416 . 1 1 115 115 GLU CA C 13 54.5 0.2 . 1 . . . . . . . . 5234 1 417 . 1 1 115 115 GLU CB C 13 28.0 0.2 . 1 . . . . . . . . 5234 1 418 . 1 1 115 115 GLU C C 13 177.2 0.2 . 1 . . . . . . . . 5234 1 419 . 1 1 116 116 MET N N 15 122.3 0.1 . 1 . . . . . . . . 5234 1 420 . 1 1 116 116 MET H H 1 7.47 0.01 . 1 . . . . . . . . 5234 1 421 . 1 1 116 116 MET CA C 13 56.4 0.2 . 1 . . . . . . . . 5234 1 422 . 1 1 116 116 MET CB C 13 33.9 0.2 . 1 . . . . . . . . 5234 1 423 . 1 1 116 116 MET C C 13 176.7 0.2 . 1 . . . . . . . . 5234 1 424 . 1 1 117 117 SER N N 15 128.0 0.1 . 1 . . . . . . . . 5234 1 425 . 1 1 117 117 SER H H 1 9.45 0.01 . 1 . . . . . . . . 5234 1 426 . 1 1 117 117 SER CA C 13 56.7 0.2 . 1 . . . . . . . . 5234 1 427 . 1 1 117 117 SER CB C 13 61.8 0.2 . 1 . . . . . . . . 5234 1 428 . 1 1 119 119 ARG N N 15 120.7 0.1 . 1 . . . . . . . . 5234 1 429 . 1 1 119 119 ARG H H 1 8.34 0.01 . 1 . . . . . . . . 5234 1 430 . 1 1 119 119 ARG CA C 13 59.0 0.2 . 1 . . . . . . . . 5234 1 431 . 1 1 119 119 ARG C C 13 179.3 0.2 . 1 . . . . . . . . 5234 1 432 . 1 1 120 120 MET N N 15 121.4 0.1 . 1 . . . . . . . . 5234 1 433 . 1 1 120 120 MET H H 1 7.54 0.01 . 1 . . . . . . . . 5234 1 434 . 1 1 120 120 MET CA C 13 55.5 0.2 . 1 . . . . . . . . 5234 1 435 . 1 1 120 120 MET CB C 13 29.4 0.2 . 1 . . . . . . . . 5234 1 436 . 1 1 120 120 MET C C 13 178.7 0.2 . 1 . . . . . . . . 5234 1 437 . 1 1 121 121 GLN N N 15 122.6 0.1 . 1 . . . . . . . . 5234 1 438 . 1 1 121 121 GLN H H 1 8.72 0.01 . 1 . . . . . . . . 5234 1 439 . 1 1 121 121 GLN CA C 13 58.7 0.2 . 1 . . . . . . . . 5234 1 440 . 1 1 121 121 GLN CB C 13 28.3 0.2 . 1 . . . . . . . . 5234 1 441 . 1 1 121 121 GLN C C 13 178.3 0.2 . 1 . . . . . . . . 5234 1 442 . 1 1 122 122 ALA N N 15 120.4 0.1 . 1 . . . . . . . . 5234 1 443 . 1 1 122 122 ALA H H 1 7.24 0.01 . 1 . . . . . . . . 5234 1 444 . 1 1 122 122 ALA CA C 13 54.8 0.2 . 1 . . . . . . . . 5234 1 445 . 1 1 122 122 ALA CB C 13 17.3 0.2 . 1 . . . . . . . . 5234 1 446 . 1 1 122 122 ALA C C 13 180.2 0.2 . 1 . . . . . . . . 5234 1 447 . 1 1 123 123 LYS N N 15 120.4 0.1 . 1 . . . . . . . . 5234 1 448 . 1 1 123 123 LYS H H 1 7.27 0.01 . 1 . . . . . . . . 5234 1 449 . 1 1 123 123 LYS CA C 13 59.0 0.2 . 1 . . . . . . . . 5234 1 450 . 1 1 123 123 LYS CB C 13 32.0 0.2 . 1 . . . . . . . . 5234 1 451 . 1 1 123 123 LYS C C 13 180.0 0.2 . 1 . . . . . . . . 5234 1 452 . 1 1 124 124 LEU N N 15 124.2 0.1 . 1 . . . . . . . . 5234 1 453 . 1 1 124 124 LEU H H 1 8.95 0.01 . 1 . . . . . . . . 5234 1 454 . 1 1 124 124 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 5234 1 455 . 1 1 124 124 LEU CB C 13 40.5 0.2 . 1 . . . . . . . . 5234 1 456 . 1 1 124 124 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 5234 1 457 . 1 1 125 125 LEU N N 15 121.3 0.1 . 1 . . . . . . . . 5234 1 458 . 1 1 125 125 LEU H H 1 8.00 0.01 . 1 . . . . . . . . 5234 1 459 . 1 1 125 125 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 5234 1 460 . 1 1 125 125 LEU CB C 13 40.5 0.2 . 1 . . . . . . . . 5234 1 461 . 1 1 125 125 LEU C C 13 177.6 0.2 . 1 . . . . . . . . 5234 1 462 . 1 1 126 126 ARG N N 15 118.7 0.1 . 1 . . . . . . . . 5234 1 463 . 1 1 126 126 ARG H H 1 7.24 0.01 . 1 . . . . . . . . 5234 1 464 . 1 1 126 126 ARG CA C 13 59.0 0.2 . 1 . . . . . . . . 5234 1 465 . 1 1 126 126 ARG CB C 13 28.4 0.2 . 1 . . . . . . . . 5234 1 466 . 1 1 126 126 ARG C C 13 178.1 0.2 . 1 . . . . . . . . 5234 1 467 . 1 1 127 127 PHE N N 15 120.8 0.1 . 1 . . . . . . . . 5234 1 468 . 1 1 127 127 PHE H H 1 7.64 0.01 . 1 . . . . . . . . 5234 1 469 . 1 1 127 127 PHE CA C 13 60.7 0.2 . 1 . . . . . . . . 5234 1 470 . 1 1 127 127 PHE CB C 13 38.2 0.2 . 1 . . . . . . . . 5234 1 471 . 1 1 127 127 PHE C C 13 178.9 0.2 . 1 . . . . . . . . 5234 1 472 . 1 1 128 128 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 5234 1 473 . 1 1 128 128 LEU H H 1 8.57 0.01 . 1 . . . . . . . . 5234 1 474 . 1 1 128 128 LEU CA C 13 56.7 0.2 . 1 . . . . . . . . 5234 1 475 . 1 1 128 128 LEU CB C 13 40.2 0.2 . 1 . . . . . . . . 5234 1 476 . 1 1 128 128 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 5234 1 477 . 1 1 129 129 ASN N N 15 118.7 0.1 . 1 . . . . . . . . 5234 1 478 . 1 1 129 129 ASN H H 1 7.84 0.01 . 1 . . . . . . . . 5234 1 479 . 1 1 129 129 ASN CA C 13 54.8 0.2 . 1 . . . . . . . . 5234 1 480 . 1 1 129 129 ASN CB C 13 38.0 0.2 . 1 . . . . . . . . 5234 1 481 . 1 1 129 129 ASN C C 13 176.9 0.2 . 1 . . . . . . . . 5234 1 482 . 1 1 130 130 ASP N N 15 119.0 0.1 . 1 . . . . . . . . 5234 1 483 . 1 1 130 130 ASP H H 1 8.24 0.01 . 1 . . . . . . . . 5234 1 484 . 1 1 130 130 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 5234 1 485 . 1 1 130 130 ASP CB C 13 41.8 0.2 . 1 . . . . . . . . 5234 1 486 . 1 1 130 130 ASP C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 487 . 1 1 131 131 GLY N N 15 111.7 0.1 . 1 . . . . . . . . 5234 1 488 . 1 1 131 131 GLY H H 1 8.29 0.01 . 1 . . . . . . . . 5234 1 489 . 1 1 131 131 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5234 1 490 . 1 1 131 131 GLY C C 13 172.6 0.2 . 1 . . . . . . . . 5234 1 491 . 1 1 132 132 THR N N 15 128.3 0.1 . 1 . . . . . . . . 5234 1 492 . 1 1 132 132 THR H H 1 6.99 0.01 . 1 . . . . . . . . 5234 1 493 . 1 1 132 132 THR CA C 13 58.1 0.2 . 1 . . . . . . . . 5234 1 494 . 1 1 132 132 THR CB C 13 72.5 0.2 . 1 . . . . . . . . 5234 1 495 . 1 1 132 132 THR C C 13 173.9 0.2 . 1 . . . . . . . . 5234 1 496 . 1 1 133 133 PHE N N 15 116.3 0.1 . 1 . . . . . . . . 5234 1 497 . 1 1 133 133 PHE H H 1 7.86 0.01 . 1 . . . . . . . . 5234 1 498 . 1 1 133 133 PHE CA C 13 55.4 0.2 . 1 . . . . . . . . 5234 1 499 . 1 1 133 133 PHE CB C 13 41.0 0.2 . 1 . . . . . . . . 5234 1 500 . 1 1 133 133 PHE C C 13 172.0 0.2 . 1 . . . . . . . . 5234 1 501 . 1 1 134 134 ARG N N 15 118.8 0.1 . 1 . . . . . . . . 5234 1 502 . 1 1 134 134 ARG H H 1 7.54 0.01 . 1 . . . . . . . . 5234 1 503 . 1 1 134 134 ARG CA C 13 53.9 0.2 . 1 . . . . . . . . 5234 1 504 . 1 1 134 134 ARG CB C 13 31.4 0.2 . 1 . . . . . . . . 5234 1 505 . 1 1 134 134 ARG C C 13 176.7 0.2 . 1 . . . . . . . . 5234 1 506 . 1 1 135 135 ARG N N 15 126.6 0.1 . 1 . . . . . . . . 5234 1 507 . 1 1 135 135 ARG H H 1 9.55 0.01 . 1 . . . . . . . . 5234 1 508 . 1 1 135 135 ARG CA C 13 55.4 0.2 . 1 . . . . . . . . 5234 1 509 . 1 1 135 135 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 5234 1 510 . 1 1 135 135 ARG C C 13 177.3 0.2 . 1 . . . . . . . . 5234 1 511 . 1 1 136 136 VAL N N 15 123.5 0.1 . 1 . . . . . . . . 5234 1 512 . 1 1 136 136 VAL H H 1 7.79 0.01 . 1 . . . . . . . . 5234 1 513 . 1 1 136 136 VAL CA C 13 65.0 0.2 . 1 . . . . . . . . 5234 1 514 . 1 1 136 136 VAL CB C 13 30.1 0.2 . 1 . . . . . . . . 5234 1 515 . 1 1 136 136 VAL C C 13 177.6 0.2 . 1 . . . . . . . . 5234 1 516 . 1 1 137 137 GLY N N 15 115.1 0.1 . 1 . . . . . . . . 5234 1 517 . 1 1 137 137 GLY H H 1 8.35 0.01 . 1 . . . . . . . . 5234 1 518 . 1 1 137 137 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 5234 1 519 . 1 1 137 137 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 5234 1 520 . 1 1 138 138 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 5234 1 521 . 1 1 138 138 GLU H H 1 7.65 0.01 . 1 . . . . . . . . 5234 1 522 . 1 1 138 138 GLU CA C 13 54.7 0.2 . 1 . . . . . . . . 5234 1 523 . 1 1 138 138 GLU CB C 13 32.9 0.2 . 1 . . . . . . . . 5234 1 524 . 1 1 140 140 HIS N N 15 118.6 0.1 . 1 . . . . . . . . 5234 1 525 . 1 1 140 140 HIS H H 1 6.81 0.01 . 1 . . . . . . . . 5234 1 526 . 1 1 140 140 HIS CA C 13 54.7 0.2 . 1 . . . . . . . . 5234 1 527 . 1 1 140 140 HIS CB C 13 31.3 0.2 . 1 . . . . . . . . 5234 1 528 . 1 1 140 140 HIS C C 13 173.8 0.2 . 1 . . . . . . . . 5234 1 529 . 1 1 141 141 GLU N N 15 122.8 0.1 . 1 . . . . . . . . 5234 1 530 . 1 1 141 141 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 5234 1 531 . 1 1 141 141 GLU CA C 13 55.6 0.2 . 1 . . . . . . . . 5234 1 532 . 1 1 141 141 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 5234 1 533 . 1 1 141 141 GLU C C 13 175.7 0.2 . 1 . . . . . . . . 5234 1 534 . 1 1 142 142 VAL N N 15 126.0 0.1 . 1 . . . . . . . . 5234 1 535 . 1 1 142 142 VAL H H 1 8.52 0.01 . 1 . . . . . . . . 5234 1 536 . 1 1 142 142 VAL CA C 13 60.8 0.2 . 1 . . . . . . . . 5234 1 537 . 1 1 142 142 VAL CB C 13 32.2 0.2 . 1 . . . . . . . . 5234 1 538 . 1 1 142 142 VAL C C 13 173.9 0.2 . 1 . . . . . . . . 5234 1 539 . 1 1 143 143 HIS N N 15 124.5 0.1 . 1 . . . . . . . . 5234 1 540 . 1 1 143 143 HIS H H 1 8.01 0.01 . 1 . . . . . . . . 5234 1 541 . 1 1 143 143 HIS CA C 13 54.5 0.2 . 1 . . . . . . . . 5234 1 542 . 1 1 143 143 HIS CB C 13 30.7 0.2 . 1 . . . . . . . . 5234 1 543 . 1 1 143 143 HIS C C 13 175.4 0.2 . 1 . . . . . . . . 5234 1 544 . 1 1 144 144 VAL N N 15 118.3 0.1 . 1 . . . . . . . . 5234 1 545 . 1 1 144 144 VAL H H 1 7.72 0.01 . 1 . . . . . . . . 5234 1 546 . 1 1 144 144 VAL CA C 13 59.2 0.2 . 1 . . . . . . . . 5234 1 547 . 1 1 144 144 VAL CB C 13 35.8 0.2 . 1 . . . . . . . . 5234 1 548 . 1 1 144 144 VAL C C 13 173.3 0.2 . 1 . . . . . . . . 5234 1 549 . 1 1 145 145 ASP N N 15 123.1 0.1 . 1 . . . . . . . . 5234 1 550 . 1 1 145 145 ASP H H 1 8.03 0.01 . 1 . . . . . . . . 5234 1 551 . 1 1 145 145 ASP CA C 13 51.8 0.2 . 1 . . . . . . . . 5234 1 552 . 1 1 145 145 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 5234 1 553 . 1 1 145 145 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 5234 1 554 . 1 1 146 146 VAL N N 15 126.1 0.1 . 1 . . . . . . . . 5234 1 555 . 1 1 146 146 VAL H H 1 8.35 0.01 . 1 . . . . . . . . 5234 1 556 . 1 1 146 146 VAL CA C 13 59.9 0.2 . 1 . . . . . . . . 5234 1 557 . 1 1 146 146 VAL CB C 13 36.2 0.2 . 1 . . . . . . . . 5234 1 558 . 1 1 146 146 VAL C C 13 173.5 0.2 . 1 . . . . . . . . 5234 1 559 . 1 1 147 147 ARG N N 15 111.6 0.1 . 1 . . . . . . . . 5234 1 560 . 1 1 147 147 ARG H H 1 8.54 0.01 . 1 . . . . . . . . 5234 1 561 . 1 1 147 147 ARG CA C 13 55.9 0.2 . 1 . . . . . . . . 5234 1 562 . 1 1 147 147 ARG CB C 13 29.2 0.2 . 1 . . . . . . . . 5234 1 563 . 1 1 147 147 ARG C C 13 175.3 0.2 . 1 . . . . . . . . 5234 1 564 . 1 1 148 148 VAL N N 15 110.7 0.1 . 1 . . . . . . . . 5234 1 565 . 1 1 148 148 VAL H H 1 8.96 0.01 . 1 . . . . . . . . 5234 1 566 . 1 1 148 148 VAL CA C 13 62.5 0.2 . 1 . . . . . . . . 5234 1 567 . 1 1 148 148 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 5234 1 568 . 1 1 148 148 VAL C C 13 173.4 0.2 . 1 . . . . . . . . 5234 1 569 . 1 1 149 149 ILE N N 15 110.3 0.1 . 1 . . . . . . . . 5234 1 570 . 1 1 149 149 ILE H H 1 8.97 0.01 . 1 . . . . . . . . 5234 1 571 . 1 1 149 149 ILE CA C 13 59.3 0.2 . 1 . . . . . . . . 5234 1 572 . 1 1 149 149 ILE CB C 13 39.0 0.2 . 1 . . . . . . . . 5234 1 573 . 1 1 149 149 ILE C C 13 175.1 0.2 . 1 . . . . . . . . 5234 1 574 . 1 1 150 150 CYS N N 15 124.9 0.1 . 1 . . . . . . . . 5234 1 575 . 1 1 150 150 CYS H H 1 9.45 0.01 . 1 . . . . . . . . 5234 1 576 . 1 1 150 150 CYS CA C 13 56.3 0.2 . 1 . . . . . . . . 5234 1 577 . 1 1 150 150 CYS CB C 13 31.3 0.2 . 1 . . . . . . . . 5234 1 578 . 1 1 150 150 CYS C C 13 172.8 0.2 . 1 . . . . . . . . 5234 1 579 . 1 1 151 151 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 5234 1 580 . 1 1 151 151 ALA H H 1 8.35 0.01 . 1 . . . . . . . . 5234 1 581 . 1 1 151 151 ALA CA C 13 49.7 0.2 . 1 . . . . . . . . 5234 1 582 . 1 1 151 151 ALA CB C 13 22.0 0.2 . 1 . . . . . . . . 5234 1 583 . 1 1 151 151 ALA C C 13 176.1 0.2 . 1 . . . . . . . . 5234 1 584 . 1 1 152 152 THR N N 15 114.4 0.1 . 1 . . . . . . . . 5234 1 585 . 1 1 152 152 THR H H 1 8.04 0.01 . 1 . . . . . . . . 5234 1 586 . 1 1 152 152 THR CA C 13 60.0 0.2 . 1 . . . . . . . . 5234 1 587 . 1 1 152 152 THR CB C 13 70.3 0.2 . 1 . . . . . . . . 5234 1 588 . 1 1 152 152 THR C C 13 171.6 0.2 . 1 . . . . . . . . 5234 1 589 . 1 1 153 153 GLN N N 15 127.6 0.1 . 1 . . . . . . . . 5234 1 590 . 1 1 153 153 GLN H H 1 8.73 0.01 . 1 . . . . . . . . 5234 1 591 . 1 1 153 153 GLN CA C 13 54.9 0.2 . 1 . . . . . . . . 5234 1 592 . 1 1 153 153 GLN CB C 13 29.5 0.2 . 1 . . . . . . . . 5234 1 593 . 1 1 153 153 GLN C C 13 176.7 0.2 . 1 . . . . . . . . 5234 1 594 . 1 1 154 154 LYS N N 15 123.4 0.1 . 1 . . . . . . . . 5234 1 595 . 1 1 154 154 LYS H H 1 8.28 0.01 . 1 . . . . . . . . 5234 1 596 . 1 1 154 154 LYS CA C 13 54.6 0.2 . 1 . . . . . . . . 5234 1 597 . 1 1 154 154 LYS CB C 13 33.1 0.2 . 1 . . . . . . . . 5234 1 598 . 1 1 156 156 LEU N N 15 128.1 0.1 . 1 . . . . . . . . 5234 1 599 . 1 1 156 156 LEU H H 1 8.54 0.01 . 1 . . . . . . . . 5234 1 600 . 1 1 156 156 LEU CA C 13 57.1 0.2 . 1 . . . . . . . . 5234 1 601 . 1 1 156 156 LEU CB C 13 40.6 0.2 . 1 . . . . . . . . 5234 1 602 . 1 1 156 156 LEU C C 13 178.1 0.2 . 1 . . . . . . . . 5234 1 603 . 1 1 157 157 VAL N N 15 119.8 0.1 . 1 . . . . . . . . 5234 1 604 . 1 1 157 157 VAL H H 1 7.61 0.01 . 1 . . . . . . . . 5234 1 605 . 1 1 157 157 VAL CA C 13 65.4 0.2 . 1 . . . . . . . . 5234 1 606 . 1 1 157 157 VAL CB C 13 30.0 0.2 . 1 . . . . . . . . 5234 1 607 . 1 1 157 157 VAL C C 13 177.8 0.2 . 1 . . . . . . . . 5234 1 608 . 1 1 158 158 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 5234 1 609 . 1 1 158 158 GLU H H 1 6.80 0.01 . 1 . . . . . . . . 5234 1 610 . 1 1 158 158 GLU CA C 13 58.2 0.2 . 1 . . . . . . . . 5234 1 611 . 1 1 158 158 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . 5234 1 612 . 1 1 158 158 GLU C C 13 178.8 0.2 . 1 . . . . . . . . 5234 1 613 . 1 1 159 159 LEU N N 15 119.1 0.1 . 1 . . . . . . . . 5234 1 614 . 1 1 159 159 LEU H H 1 6.83 0.01 . 1 . . . . . . . . 5234 1 615 . 1 1 159 159 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 5234 1 616 . 1 1 159 159 LEU CB C 13 40.9 0.2 . 1 . . . . . . . . 5234 1 617 . 1 1 159 159 LEU C C 13 180.0 0.2 . 1 . . . . . . . . 5234 1 618 . 1 1 160 160 VAL N N 15 124.1 0.1 . 1 . . . . . . . . 5234 1 619 . 1 1 160 160 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 5234 1 620 . 1 1 160 160 VAL CA C 13 64.5 0.2 . 1 . . . . . . . . 5234 1 621 . 1 1 160 160 VAL CB C 13 30.8 0.2 . 1 . . . . . . . . 5234 1 622 . 1 1 160 160 VAL C C 13 181.1 0.2 . 1 . . . . . . . . 5234 1 623 . 1 1 161 161 GLN N N 15 122.7 0.1 . 1 . . . . . . . . 5234 1 624 . 1 1 161 161 GLN H H 1 7.92 0.01 . 1 . . . . . . . . 5234 1 625 . 1 1 161 161 GLN CA C 13 58.3 0.2 . 1 . . . . . . . . 5234 1 626 . 1 1 161 161 GLN CB C 13 27.2 0.2 . 1 . . . . . . . . 5234 1 627 . 1 1 161 161 GLN C C 13 178.0 0.2 . 1 . . . . . . . . 5234 1 628 . 1 1 162 162 LYS N N 15 117.2 0.1 . 1 . . . . . . . . 5234 1 629 . 1 1 162 162 LYS H H 1 7.33 0.01 . 1 . . . . . . . . 5234 1 630 . 1 1 162 162 LYS CA C 13 56.0 0.2 . 1 . . . . . . . . 5234 1 631 . 1 1 162 162 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 5234 1 632 . 1 1 162 162 LYS C C 13 176.7 0.2 . 1 . . . . . . . . 5234 1 633 . 1 1 163 163 GLY N N 15 107.8 0.1 . 1 . . . . . . . . 5234 1 634 . 1 1 163 163 GLY H H 1 7.74 0.01 . 1 . . . . . . . . 5234 1 635 . 1 1 163 163 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 5234 1 636 . 1 1 163 163 GLY C C 13 175.0 0.2 . 1 . . . . . . . . 5234 1 637 . 1 1 164 164 MET N N 15 118.1 0.1 . 1 . . . . . . . . 5234 1 638 . 1 1 164 164 MET H H 1 7.89 0.01 . 1 . . . . . . . . 5234 1 639 . 1 1 164 164 MET CA C 13 55.2 0.2 . 1 . . . . . . . . 5234 1 640 . 1 1 164 164 MET CB C 13 33.7 0.2 . 1 . . . . . . . . 5234 1 641 . 1 1 164 164 MET C C 13 174.5 0.2 . 1 . . . . . . . . 5234 1 642 . 1 1 165 165 PHE N N 15 122.8 0.1 . 1 . . . . . . . . 5234 1 643 . 1 1 165 165 PHE H H 1 6.87 0.01 . 1 . . . . . . . . 5234 1 644 . 1 1 165 165 PHE CA C 13 55.7 0.2 . 1 . . . . . . . . 5234 1 645 . 1 1 165 165 PHE CB C 13 42.9 0.2 . 1 . . . . . . . . 5234 1 646 . 1 1 165 165 PHE C C 13 174.1 0.2 . 1 . . . . . . . . 5234 1 647 . 1 1 166 166 ARG N N 15 128.6 0.1 . 1 . . . . . . . . 5234 1 648 . 1 1 166 166 ARG H H 1 7.68 0.01 . 1 . . . . . . . . 5234 1 649 . 1 1 166 166 ARG CA C 13 56.8 0.2 . 1 . . . . . . . . 5234 1 650 . 1 1 166 166 ARG CB C 13 31.9 0.2 . 1 . . . . . . . . 5234 1 651 . 1 1 166 166 ARG C C 13 176.9 0.2 . 1 . . . . . . . . 5234 1 652 . 1 1 167 167 GLU N N 15 127.2 0.1 . 1 . . . . . . . . 5234 1 653 . 1 1 167 167 GLU H H 1 8.73 0.01 . 1 . . . . . . . . 5234 1 654 . 1 1 167 167 GLU CA C 13 59.3 0.2 . 1 . . . . . . . . 5234 1 655 . 1 1 167 167 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 5234 1 656 . 1 1 167 167 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 5234 1 657 . 1 1 168 168 ASP N N 15 118.7 0.1 . 1 . . . . . . . . 5234 1 658 . 1 1 168 168 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 5234 1 659 . 1 1 168 168 ASP CA C 13 55.7 0.2 . 1 . . . . . . . . 5234 1 660 . 1 1 168 168 ASP CB C 13 37.2 0.2 . 1 . . . . . . . . 5234 1 661 . 1 1 168 168 ASP C C 13 179.8 0.2 . 1 . . . . . . . . 5234 1 662 . 1 1 169 169 LEU N N 15 126.1 0.1 . 1 . . . . . . . . 5234 1 663 . 1 1 169 169 LEU H H 1 7.82 0.01 . 1 . . . . . . . . 5234 1 664 . 1 1 169 169 LEU CA C 13 56.7 0.2 . 1 . . . . . . . . 5234 1 665 . 1 1 169 169 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 5234 1 666 . 1 1 169 169 LEU C C 13 177.3 0.2 . 1 . . . . . . . . 5234 1 667 . 1 1 170 170 TYR N N 15 121.9 0.1 . 1 . . . . . . . . 5234 1 668 . 1 1 170 170 TYR H H 1 8.11 0.01 . 1 . . . . . . . . 5234 1 669 . 1 1 170 170 TYR CA C 13 61.8 0.2 . 1 . . . . . . . . 5234 1 670 . 1 1 170 170 TYR CB C 13 37.4 0.2 . 1 . . . . . . . . 5234 1 671 . 1 1 170 170 TYR C C 13 176.5 0.2 . 1 . . . . . . . . 5234 1 672 . 1 1 171 171 TYR N N 15 117.8 0.1 . 1 . . . . . . . . 5234 1 673 . 1 1 171 171 TYR H H 1 8.16 0.01 . 1 . . . . . . . . 5234 1 674 . 1 1 171 171 TYR CA C 13 60.2 0.2 . 1 . . . . . . . . 5234 1 675 . 1 1 171 171 TYR CB C 13 36.5 0.2 . 1 . . . . . . . . 5234 1 676 . 1 1 171 171 TYR C C 13 178.6 0.2 . 1 . . . . . . . . 5234 1 677 . 1 1 172 172 ARG N N 15 119.6 0.1 . 1 . . . . . . . . 5234 1 678 . 1 1 172 172 ARG H H 1 7.34 0.01 . 1 . . . . . . . . 5234 1 679 . 1 1 172 172 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 5234 1 680 . 1 1 172 172 ARG CB C 13 29.2 0.2 . 1 . . . . . . . . 5234 1 681 . 1 1 172 172 ARG C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 682 . 1 1 173 173 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 5234 1 683 . 1 1 173 173 LEU H H 1 7.53 0.01 . 1 . . . . . . . . 5234 1 684 . 1 1 173 173 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 5234 1 685 . 1 1 173 173 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 5234 1 686 . 1 1 173 173 LEU C C 13 176.5 0.2 . 1 . . . . . . . . 5234 1 687 . 1 1 174 174 ASN N N 15 116.1 0.1 . 1 . . . . . . . . 5234 1 688 . 1 1 174 174 ASN H H 1 7.43 0.01 . 1 . . . . . . . . 5234 1 689 . 1 1 174 174 ASN CA C 13 52.5 0.2 . 1 . . . . . . . . 5234 1 690 . 1 1 174 174 ASN CB C 13 37.9 0.2 . 1 . . . . . . . . 5234 1 691 . 1 1 174 174 ASN C C 13 175.6 0.2 . 1 . . . . . . . . 5234 1 692 . 1 1 175 175 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 5234 1 693 . 1 1 175 175 VAL H H 1 6.70 0.01 . 1 . . . . . . . . 5234 1 694 . 1 1 175 175 VAL CA C 13 65.3 0.2 . 1 . . . . . . . . 5234 1 695 . 1 1 175 175 VAL CB C 13 31.2 0.2 . 1 . . . . . . . . 5234 1 696 . 1 1 175 175 VAL C C 13 176.3 0.2 . 1 . . . . . . . . 5234 1 697 . 1 1 176 176 LEU N N 15 122.5 0.1 . 1 . . . . . . . . 5234 1 698 . 1 1 176 176 LEU H H 1 8.05 0.01 . 1 . . . . . . . . 5234 1 699 . 1 1 176 176 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 5234 1 700 . 1 1 176 176 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 5234 1 701 . 1 1 176 176 LEU C C 13 174.0 0.2 . 1 . . . . . . . . 5234 1 702 . 1 1 177 177 THR N N 15 115.7 0.1 . 1 . . . . . . . . 5234 1 703 . 1 1 177 177 THR H H 1 7.65 0.01 . 1 . . . . . . . . 5234 1 704 . 1 1 177 177 THR CA C 13 59.1 0.2 . 1 . . . . . . . . 5234 1 705 . 1 1 177 177 THR CB C 13 71.3 0.2 . 1 . . . . . . . . 5234 1 706 . 1 1 177 177 THR C C 13 173.1 0.2 . 1 . . . . . . . . 5234 1 707 . 1 1 178 178 LEU N N 15 126.4 0.1 . 1 . . . . . . . . 5234 1 708 . 1 1 178 178 LEU H H 1 8.61 0.01 . 1 . . . . . . . . 5234 1 709 . 1 1 178 178 LEU CA C 13 52.8 0.2 . 1 . . . . . . . . 5234 1 710 . 1 1 178 178 LEU CB C 13 44.5 0.2 . 1 . . . . . . . . 5234 1 711 . 1 1 178 178 LEU C C 13 173.8 0.2 . 1 . . . . . . . . 5234 1 712 . 1 1 179 179 ASN N N 15 124.8 0.1 . 1 . . . . . . . . 5234 1 713 . 1 1 179 179 ASN H H 1 8.51 0.01 . 1 . . . . . . . . 5234 1 714 . 1 1 179 179 ASN CA C 13 50.9 0.2 . 1 . . . . . . . . 5234 1 715 . 1 1 179 179 ASN CB C 13 39.2 0.2 . 1 . . . . . . . . 5234 1 716 . 1 1 179 179 ASN C C 13 174.0 0.2 . 1 . . . . . . . . 5234 1 717 . 1 1 180 180 LEU N N 15 127.1 0.1 . 1 . . . . . . . . 5234 1 718 . 1 1 180 180 LEU H H 1 8.67 0.01 . 1 . . . . . . . . 5234 1 719 . 1 1 180 180 LEU CA C 13 51.8 0.2 . 1 . . . . . . . . 5234 1 720 . 1 1 180 180 LEU CB C 13 38.7 0.2 . 1 . . . . . . . . 5234 1 721 . 1 1 183 183 LEU N N 15 127.4 0.1 . 1 . . . . . . . . 5234 1 722 . 1 1 183 183 LEU H H 1 8.83 0.01 . 1 . . . . . . . . 5234 1 723 . 1 1 183 183 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 5234 1 724 . 1 1 183 183 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 5234 1 725 . 1 1 183 183 LEU C C 13 179.5 0.2 . 1 . . . . . . . . 5234 1 726 . 1 1 184 184 ARG N N 15 116.7 0.1 . 1 . . . . . . . . 5234 1 727 . 1 1 184 184 ARG H H 1 8.97 0.01 . 1 . . . . . . . . 5234 1 728 . 1 1 184 184 ARG CA C 13 57.0 0.2 . 1 . . . . . . . . 5234 1 729 . 1 1 184 184 ARG CB C 13 26.8 0.2 . 1 . . . . . . . . 5234 1 730 . 1 1 184 184 ARG C C 13 177.0 0.2 . 1 . . . . . . . . 5234 1 731 . 1 1 185 185 ASP N N 15 121.3 0.1 . 1 . . . . . . . . 5234 1 732 . 1 1 185 185 ASP H H 1 7.32 0.01 . 1 . . . . . . . . 5234 1 733 . 1 1 185 185 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 5234 1 734 . 1 1 185 185 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 5234 1 735 . 1 1 186 186 CYS N N 15 122.6 0.1 . 1 . . . . . . . . 5234 1 736 . 1 1 186 186 CYS H H 1 7.97 0.01 . 1 . . . . . . . . 5234 1 737 . 1 1 186 186 CYS CA C 13 56.2 0.2 . 1 . . . . . . . . 5234 1 738 . 1 1 188 188 GLN N N 15 118.4 0.1 . 1 . . . . . . . . 5234 1 739 . 1 1 188 188 GLN H H 1 8.71 0.01 . 1 . . . . . . . . 5234 1 740 . 1 1 188 188 GLN CA C 13 58.2 0.2 . 1 . . . . . . . . 5234 1 741 . 1 1 188 188 GLN CB C 13 27.0 0.2 . 1 . . . . . . . . 5234 1 742 . 1 1 188 188 GLN C C 13 176.1 0.2 . 1 . . . . . . . . 5234 1 743 . 1 1 189 189 ASP N N 15 116.5 0.1 . 1 . . . . . . . . 5234 1 744 . 1 1 189 189 ASP H H 1 7.88 0.01 . 1 . . . . . . . . 5234 1 745 . 1 1 189 189 ASP CA C 13 55.2 0.2 . 1 . . . . . . . . 5234 1 746 . 1 1 189 189 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 5234 1 747 . 1 1 189 189 ASP C C 13 177.5 0.2 . 1 . . . . . . . . 5234 1 748 . 1 1 190 190 ILE N N 15 121.5 0.1 . 1 . . . . . . . . 5234 1 749 . 1 1 190 190 ILE H H 1 7.09 0.01 . 1 . . . . . . . . 5234 1 750 . 1 1 190 190 ILE CA C 13 66.5 0.2 . 1 . . . . . . . . 5234 1 751 . 1 1 190 190 ILE CB C 13 36.6 0.2 . 1 . . . . . . . . 5234 1 752 . 1 1 190 190 ILE C C 13 178.3 0.2 . 1 . . . . . . . . 5234 1 753 . 1 1 191 191 MET N N 15 122.0 0.1 . 1 . . . . . . . . 5234 1 754 . 1 1 191 191 MET H H 1 9.26 0.01 . 1 . . . . . . . . 5234 1 755 . 1 1 191 191 MET CA C 13 56.8 0.2 . 1 . . . . . . . . 5234 1 756 . 1 1 191 191 MET CB C 13 24.9 0.2 . 1 . . . . . . . . 5234 1 757 . 1 1 194 194 THR N N 15 119.6 0.1 . 1 . . . . . . . . 5234 1 758 . 1 1 194 194 THR H H 1 7.96 0.01 . 1 . . . . . . . . 5234 1 759 . 1 1 194 194 THR CA C 13 68.4 0.2 . 1 . . . . . . . . 5234 1 760 . 1 1 194 194 THR CB C 13 67.2 0.2 . 1 . . . . . . . . 5234 1 761 . 1 1 194 194 THR C C 13 176.2 0.2 . 1 . . . . . . . . 5234 1 762 . 1 1 195 195 GLU N N 15 120.7 0.1 . 1 . . . . . . . . 5234 1 763 . 1 1 195 195 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 5234 1 764 . 1 1 195 195 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 5234 1 765 . 1 1 195 195 GLU CB C 13 29.0 0.2 . 1 . . . . . . . . 5234 1 766 . 1 1 195 195 GLU C C 13 179.3 0.2 . 1 . . . . . . . . 5234 1 767 . 1 1 196 196 LEU N N 15 123.5 0.1 . 1 . . . . . . . . 5234 1 768 . 1 1 196 196 LEU H H 1 7.39 0.01 . 1 . . . . . . . . 5234 1 769 . 1 1 196 196 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 5234 1 770 . 1 1 196 196 LEU CB C 13 40.9 0.2 . 1 . . . . . . . . 5234 1 771 . 1 1 196 196 LEU C C 13 179.6 0.2 . 1 . . . . . . . . 5234 1 772 . 1 1 197 197 PHE N N 15 120.7 0.1 . 1 . . . . . . . . 5234 1 773 . 1 1 197 197 PHE H H 1 8.40 0.01 . 1 . . . . . . . . 5234 1 774 . 1 1 197 197 PHE CA C 13 59.0 0.2 . 1 . . . . . . . . 5234 1 775 . 1 1 197 197 PHE CB C 13 37.2 0.2 . 1 . . . . . . . . 5234 1 776 . 1 1 197 197 PHE C C 13 178.1 0.2 . 1 . . . . . . . . 5234 1 777 . 1 1 198 198 VAL N N 15 121.6 0.1 . 1 . . . . . . . . 5234 1 778 . 1 1 198 198 VAL H H 1 8.59 0.01 . 1 . . . . . . . . 5234 1 779 . 1 1 198 198 VAL CA C 13 66.1 0.2 . 1 . . . . . . . . 5234 1 780 . 1 1 198 198 VAL CB C 13 30.5 0.2 . 1 . . . . . . . . 5234 1 781 . 1 1 198 198 VAL C C 13 177.0 0.2 . 1 . . . . . . . . 5234 1 782 . 1 1 199 199 ALA N N 15 122.1 0.1 . 1 . . . . . . . . 5234 1 783 . 1 1 199 199 ALA H H 1 7.53 0.01 . 1 . . . . . . . . 5234 1 784 . 1 1 199 199 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 5234 1 785 . 1 1 199 199 ALA CB C 13 16.9 0.2 . 1 . . . . . . . . 5234 1 786 . 1 1 199 199 ALA C C 13 179.8 0.2 . 1 . . . . . . . . 5234 1 787 . 1 1 200 200 ARG N N 15 119.8 0.1 . 1 . . . . . . . . 5234 1 788 . 1 1 200 200 ARG H H 1 8.25 0.01 . 1 . . . . . . . . 5234 1 789 . 1 1 200 200 ARG CA C 13 58.7 0.2 . 1 . . . . . . . . 5234 1 790 . 1 1 200 200 ARG CB C 13 29.5 0.2 . 1 . . . . . . . . 5234 1 791 . 1 1 200 200 ARG C C 13 178.7 0.2 . 1 . . . . . . . . 5234 1 792 . 1 1 201 201 PHE N N 15 121.9 0.1 . 1 . . . . . . . . 5234 1 793 . 1 1 201 201 PHE H H 1 8.39 0.01 . 1 . . . . . . . . 5234 1 794 . 1 1 201 201 PHE CA C 13 60.4 0.2 . 1 . . . . . . . . 5234 1 795 . 1 1 201 201 PHE CB C 13 38.5 0.2 . 1 . . . . . . . . 5234 1 796 . 1 1 201 201 PHE C C 13 177.6 0.2 . 1 . . . . . . . . 5234 1 797 . 1 1 202 202 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 5234 1 798 . 1 1 202 202 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 5234 1 799 . 1 1 202 202 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 5234 1 800 . 1 1 202 202 ALA CB C 13 17.1 0.2 . 1 . . . . . . . . 5234 1 801 . 1 1 202 202 ALA C C 13 179.8 0.2 . 1 . . . . . . . . 5234 1 802 . 1 1 203 203 ASP N N 15 119.3 0.1 . 1 . . . . . . . . 5234 1 803 . 1 1 203 203 ASP H H 1 7.84 0.01 . 1 . . . . . . . . 5234 1 804 . 1 1 203 203 ASP CA C 13 56.6 0.2 . 1 . . . . . . . . 5234 1 805 . 1 1 203 203 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 5234 1 806 . 1 1 203 203 ASP C C 13 179.4 0.2 . 1 . . . . . . . . 5234 1 807 . 1 1 204 204 GLU N N 15 121.4 0.1 . 1 . . . . . . . . 5234 1 808 . 1 1 204 204 GLU H H 1 8.22 0.01 . 1 . . . . . . . . 5234 1 809 . 1 1 204 204 GLU CA C 13 58.7 0.2 . 1 . . . . . . . . 5234 1 810 . 1 1 204 204 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 5234 1 811 . 1 1 204 204 GLU C C 13 178.9 0.2 . 1 . . . . . . . . 5234 1 812 . 1 1 205 205 GLN N N 15 116.4 0.1 . 1 . . . . . . . . 5234 1 813 . 1 1 205 205 GLN H H 1 7.85 0.01 . 1 . . . . . . . . 5234 1 814 . 1 1 205 205 GLN CA C 13 55.0 0.2 . 1 . . . . . . . . 5234 1 815 . 1 1 205 205 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 5234 1 816 . 1 1 205 205 GLN C C 13 176.6 0.2 . 1 . . . . . . . . 5234 1 817 . 1 1 206 206 GLY N N 15 111.9 0.1 . 1 . . . . . . . . 5234 1 818 . 1 1 206 206 GLY H H 1 7.66 0.01 . 1 . . . . . . . . 5234 1 819 . 1 1 206 206 GLY CA C 13 46.3 0.2 . 1 . . . . . . . . 5234 1 820 . 1 1 206 206 GLY C C 13 175.0 0.2 . 1 . . . . . . . . 5234 1 821 . 1 1 207 207 VAL N N 15 114.9 0.1 . 1 . . . . . . . . 5234 1 822 . 1 1 207 207 VAL H H 1 7.59 0.01 . 1 . . . . . . . . 5234 1 823 . 1 1 207 207 VAL CA C 13 57.3 0.2 . 1 . . . . . . . . 5234 1 824 . 1 1 207 207 VAL CB C 13 31.5 0.2 . 1 . . . . . . . . 5234 1 825 . 1 1 209 209 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 5234 1 826 . 1 1 209 209 LEU H H 1 7.96 0.01 . 1 . . . . . . . . 5234 1 827 . 1 1 209 209 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 5234 1 828 . 1 1 209 209 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 5234 1 829 . 1 1 211 211 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 5234 1 830 . 1 1 211 211 LYS H H 1 7.83 0.01 . 1 . . . . . . . . 5234 1 831 . 1 1 211 211 LYS CA C 13 55.0 0.2 . 1 . . . . . . . . 5234 1 832 . 1 1 211 211 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 5234 1 833 . 1 1 211 211 LYS C C 13 175.5 0.2 . 1 . . . . . . . . 5234 1 834 . 1 1 212 212 LEU N N 15 124.2 0.1 . 1 . . . . . . . . 5234 1 835 . 1 1 212 212 LEU H H 1 8.47 0.01 . 1 . . . . . . . . 5234 1 836 . 1 1 212 212 LEU CA C 13 53.8 0.2 . 1 . . . . . . . . 5234 1 837 . 1 1 212 212 LEU CB C 13 39.8 0.2 . 1 . . . . . . . . 5234 1 838 . 1 1 212 212 LEU C C 13 176.7 0.2 . 1 . . . . . . . . 5234 1 839 . 1 1 213 213 ALA N N 15 128.5 0.1 . 1 . . . . . . . . 5234 1 840 . 1 1 213 213 ALA H H 1 8.18 0.01 . 1 . . . . . . . . 5234 1 841 . 1 1 213 213 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 5234 1 842 . 1 1 213 213 ALA CB C 13 20.4 0.2 . 1 . . . . . . . . 5234 1 843 . 1 1 213 213 ALA C C 13 179.1 0.2 . 1 . . . . . . . . 5234 1 844 . 1 1 214 214 ALA N N 15 126.5 0.1 . 1 . . . . . . . . 5234 1 845 . 1 1 214 214 ALA H H 1 8.75 0.01 . 1 . . . . . . . . 5234 1 846 . 1 1 214 214 ALA CA C 13 54.3 0.2 . 1 . . . . . . . . 5234 1 847 . 1 1 214 214 ALA CB C 13 17.3 0.2 . 1 . . . . . . . . 5234 1 848 . 1 1 214 214 ALA C C 13 178.9 0.2 . 1 . . . . . . . . 5234 1 849 . 1 1 215 215 ASP N N 15 114.1 0.1 . 1 . . . . . . . . 5234 1 850 . 1 1 215 215 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 5234 1 851 . 1 1 215 215 ASP CA C 13 53.2 0.2 . 1 . . . . . . . . 5234 1 852 . 1 1 215 215 ASP CB C 13 39.0 0.2 . 1 . . . . . . . . 5234 1 853 . 1 1 215 215 ASP C C 13 177.3 0.2 . 1 . . . . . . . . 5234 1 854 . 1 1 216 216 LEU N N 15 122.5 0.1 . 1 . . . . . . . . 5234 1 855 . 1 1 216 216 LEU H H 1 7.56 0.01 . 1 . . . . . . . . 5234 1 856 . 1 1 216 216 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 5234 1 857 . 1 1 216 216 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 5234 1 858 . 1 1 216 216 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 5234 1 859 . 1 1 217 217 ASN N N 15 116.8 0.1 . 1 . . . . . . . . 5234 1 860 . 1 1 217 217 ASN H H 1 8.37 0.01 . 1 . . . . . . . . 5234 1 861 . 1 1 217 217 ASN CA C 13 56.9 0.2 . 1 . . . . . . . . 5234 1 862 . 1 1 217 217 ASN CB C 13 37.4 0.2 . 1 . . . . . . . . 5234 1 863 . 1 1 217 217 ASN C C 13 178.6 0.2 . 1 . . . . . . . . 5234 1 864 . 1 1 218 218 THR N N 15 116.7 0.1 . 1 . . . . . . . . 5234 1 865 . 1 1 218 218 THR H H 1 7.61 0.01 . 1 . . . . . . . . 5234 1 866 . 1 1 218 218 THR CA C 13 65.0 0.2 . 1 . . . . . . . . 5234 1 867 . 1 1 218 218 THR CB C 13 68.3 0.2 . 1 . . . . . . . . 5234 1 868 . 1 1 218 218 THR C C 13 175.3 0.2 . 1 . . . . . . . . 5234 1 869 . 1 1 219 219 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 5234 1 870 . 1 1 219 219 VAL H H 1 7.00 0.01 . 1 . . . . . . . . 5234 1 871 . 1 1 219 219 VAL CA C 13 64.7 0.2 . 1 . . . . . . . . 5234 1 872 . 1 1 219 219 VAL CB C 13 31.8 0.2 . 1 . . . . . . . . 5234 1 873 . 1 1 219 219 VAL C C 13 178.6 0.2 . 1 . . . . . . . . 5234 1 874 . 1 1 220 220 LEU N N 15 117.8 0.1 . 1 . . . . . . . . 5234 1 875 . 1 1 220 220 LEU H H 1 8.05 0.01 . 1 . . . . . . . . 5234 1 876 . 1 1 220 220 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 5234 1 877 . 1 1 220 220 LEU CB C 13 40.6 0.2 . 1 . . . . . . . . 5234 1 878 . 1 1 220 220 LEU C C 13 179.5 0.2 . 1 . . . . . . . . 5234 1 879 . 1 1 221 221 THR N N 15 128.4 0.1 . 1 . . . . . . . . 5234 1 880 . 1 1 221 221 THR H H 1 7.80 0.01 . 1 . . . . . . . . 5234 1 881 . 1 1 221 221 THR CA C 13 63.8 0.2 . 1 . . . . . . . . 5234 1 882 . 1 1 221 221 THR CB C 13 69.0 0.2 . 1 . . . . . . . . 5234 1 883 . 1 1 221 221 THR C C 13 175.7 0.2 . 1 . . . . . . . . 5234 1 884 . 1 1 222 222 ARG N N 15 121.1 0.1 . 1 . . . . . . . . 5234 1 885 . 1 1 222 222 ARG H H 1 6.93 0.01 . 1 . . . . . . . . 5234 1 886 . 1 1 222 222 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 5234 1 887 . 1 1 222 222 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 5234 1 888 . 1 1 222 222 ARG C C 13 175.8 0.2 . 1 . . . . . . . . 5234 1 889 . 1 1 223 223 TYR N N 15 122.5 0.1 . 1 . . . . . . . . 5234 1 890 . 1 1 223 223 TYR H H 1 6.61 0.01 . 1 . . . . . . . . 5234 1 891 . 1 1 223 223 TYR CA C 13 56.5 0.2 . 1 . . . . . . . . 5234 1 892 . 1 1 223 223 TYR CB C 13 38.2 0.2 . 1 . . . . . . . . 5234 1 893 . 1 1 223 223 TYR C C 13 174.5 0.2 . 1 . . . . . . . . 5234 1 894 . 1 1 224 224 ALA N N 15 126.3 0.1 . 1 . . . . . . . . 5234 1 895 . 1 1 224 224 ALA H H 1 6.70 0.01 . 1 . . . . . . . . 5234 1 896 . 1 1 224 224 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 5234 1 897 . 1 1 224 224 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 5234 1 898 . 1 1 224 224 ALA C C 13 176.4 0.2 . 1 . . . . . . . . 5234 1 899 . 1 1 225 225 TRP N N 15 111.2 0.1 . 1 . . . . . . . . 5234 1 900 . 1 1 225 225 TRP H H 1 5.16 0.01 . 1 . . . . . . . . 5234 1 901 . 1 1 225 225 TRP CA C 13 55.3 0.2 . 1 . . . . . . . . 5234 1 902 . 1 1 225 225 TRP C C 13 177.5 0.2 . 1 . . . . . . . . 5234 1 903 . 1 1 227 227 GLY N N 15 126.2 0.1 . 1 . . . . . . . . 5234 1 904 . 1 1 227 227 GLY H H 1 8.22 0.01 . 1 . . . . . . . . 5234 1 905 . 1 1 227 227 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 5234 1 906 . 1 1 227 227 GLY C C 13 175.2 0.2 . 1 . . . . . . . . 5234 1 907 . 1 1 228 228 ASN N N 15 120.5 0.1 . 1 . . . . . . . . 5234 1 908 . 1 1 228 228 ASN H H 1 8.80 0.01 . 1 . . . . . . . . 5234 1 909 . 1 1 228 228 ASN CA C 13 56.4 0.2 . 1 . . . . . . . . 5234 1 910 . 1 1 228 228 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 5234 1 911 . 1 1 228 228 ASN C C 13 172.7 0.2 . 1 . . . . . . . . 5234 1 912 . 1 1 229 229 VAL N N 15 122.8 0.1 . 1 . . . . . . . . 5234 1 913 . 1 1 229 229 VAL H H 1 7.05 0.01 . 1 . . . . . . . . 5234 1 914 . 1 1 229 229 VAL CA C 13 66.1 0.2 . 1 . . . . . . . . 5234 1 915 . 1 1 229 229 VAL CB C 13 30.7 0.2 . 1 . . . . . . . . 5234 1 916 . 1 1 229 229 VAL C C 13 176.6 0.2 . 1 . . . . . . . . 5234 1 917 . 1 1 230 230 ARG N N 15 121.8 0.1 . 1 . . . . . . . . 5234 1 918 . 1 1 230 230 ARG H H 1 8.02 0.01 . 1 . . . . . . . . 5234 1 919 . 1 1 230 230 ARG CA C 13 59.2 0.2 . 1 . . . . . . . . 5234 1 920 . 1 1 230 230 ARG CB C 13 29.4 0.2 . 1 . . . . . . . . 5234 1 921 . 1 1 230 230 ARG C C 13 177.5 0.2 . 1 . . . . . . . . 5234 1 922 . 1 1 231 231 GLN N N 15 120.6 0.1 . 1 . . . . . . . . 5234 1 923 . 1 1 231 231 GLN H H 1 7.03 0.01 . 1 . . . . . . . . 5234 1 924 . 1 1 231 231 GLN CA C 13 58.3 0.2 . 1 . . . . . . . . 5234 1 925 . 1 1 231 231 GLN CB C 13 26.7 0.2 . 1 . . . . . . . . 5234 1 926 . 1 1 231 231 GLN C C 13 178.4 0.2 . 1 . . . . . . . . 5234 1 927 . 1 1 232 232 LEU N N 15 124.7 0.1 . 1 . . . . . . . . 5234 1 928 . 1 1 232 232 LEU H H 1 7.41 0.01 . 1 . . . . . . . . 5234 1 929 . 1 1 232 232 LEU CA C 13 58.4 0.2 . 1 . . . . . . . . 5234 1 930 . 1 1 232 232 LEU CB C 13 39.7 0.2 . 1 . . . . . . . . 5234 1 931 . 1 1 232 232 LEU C C 13 177.2 0.2 . 1 . . . . . . . . 5234 1 932 . 1 1 233 233 LYS N N 15 121.0 0.1 . 1 . . . . . . . . 5234 1 933 . 1 1 233 233 LYS H H 1 8.22 0.01 . 1 . . . . . . . . 5234 1 934 . 1 1 233 233 LYS CA C 13 59.9 0.2 . 1 . . . . . . . . 5234 1 935 . 1 1 233 233 LYS CB C 13 30.7 0.2 . 1 . . . . . . . . 5234 1 936 . 1 1 233 233 LYS C C 13 178.4 0.2 . 1 . . . . . . . . 5234 1 937 . 1 1 234 234 ASN N N 15 117.1 0.1 . 1 . . . . . . . . 5234 1 938 . 1 1 234 234 ASN H H 1 7.85 0.01 . 1 . . . . . . . . 5234 1 939 . 1 1 234 234 ASN CA C 13 55.5 0.2 . 1 . . . . . . . . 5234 1 940 . 1 1 234 234 ASN CB C 13 37.6 0.2 . 1 . . . . . . . . 5234 1 941 . 1 1 234 234 ASN C C 13 177.9 0.2 . 1 . . . . . . . . 5234 1 942 . 1 1 235 235 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 5234 1 943 . 1 1 235 235 ALA H H 1 8.49 0.01 . 1 . . . . . . . . 5234 1 944 . 1 1 235 235 ALA CA C 13 54.5 0.2 . 1 . . . . . . . . 5234 1 945 . 1 1 235 235 ALA CB C 13 16.7 0.2 . 1 . . . . . . . . 5234 1 946 . 1 1 235 235 ALA C C 13 181.2 0.2 . 1 . . . . . . . . 5234 1 947 . 1 1 236 236 ILE N N 15 121.7 0.1 . 1 . . . . . . . . 5234 1 948 . 1 1 236 236 ILE H H 1 8.28 0.01 . 1 . . . . . . . . 5234 1 949 . 1 1 236 236 ILE CA C 13 62.6 0.2 . 1 . . . . . . . . 5234 1 950 . 1 1 236 236 ILE CB C 13 35.1 0.2 . 1 . . . . . . . . 5234 1 951 . 1 1 236 236 ILE C C 13 177.2 0.2 . 1 . . . . . . . . 5234 1 952 . 1 1 237 237 TYR N N 15 122.8 0.1 . 1 . . . . . . . . 5234 1 953 . 1 1 237 237 TYR H H 1 8.62 0.01 . 1 . . . . . . . . 5234 1 954 . 1 1 237 237 TYR CA C 13 61.6 0.2 . 1 . . . . . . . . 5234 1 955 . 1 1 237 237 TYR CB C 13 36.4 0.2 . 1 . . . . . . . . 5234 1 956 . 1 1 237 237 TYR C C 13 178.8 0.2 . 1 . . . . . . . . 5234 1 957 . 1 1 238 238 ARG N N 15 120.5 0.1 . 1 . . . . . . . . 5234 1 958 . 1 1 238 238 ARG H H 1 8.08 0.01 . 1 . . . . . . . . 5234 1 959 . 1 1 238 238 ARG CA C 13 58.9 0.2 . 1 . . . . . . . . 5234 1 960 . 1 1 238 238 ARG CB C 13 28.9 0.2 . 1 . . . . . . . . 5234 1 961 . 1 1 238 238 ARG C C 13 178.8 0.2 . 1 . . . . . . . . 5234 1 962 . 1 1 239 239 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 5234 1 963 . 1 1 239 239 ALA H H 1 7.48 0.01 . 1 . . . . . . . . 5234 1 964 . 1 1 239 239 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 5234 1 965 . 1 1 239 239 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 5234 1 966 . 1 1 239 239 ALA C C 13 180.6 0.2 . 1 . . . . . . . . 5234 1 967 . 1 1 240 240 LEU N N 15 118.1 0.1 . 1 . . . . . . . . 5234 1 968 . 1 1 240 240 LEU H H 1 7.93 0.01 . 1 . . . . . . . . 5234 1 969 . 1 1 240 240 LEU CA C 13 56.6 0.2 . 1 . . . . . . . . 5234 1 970 . 1 1 240 240 LEU CB C 13 38.8 0.2 . 1 . . . . . . . . 5234 1 971 . 1 1 240 240 LEU C C 13 179.0 0.2 . 1 . . . . . . . . 5234 1 972 . 1 1 241 241 THR N N 15 114.9 0.1 . 1 . . . . . . . . 5234 1 973 . 1 1 241 241 THR H H 1 7.44 0.01 . 1 . . . . . . . . 5234 1 974 . 1 1 241 241 THR CA C 13 65.2 0.2 . 1 . . . . . . . . 5234 1 975 . 1 1 241 241 THR CB C 13 69.0 0.2 . 1 . . . . . . . . 5234 1 976 . 1 1 241 241 THR C C 13 175.2 0.2 . 1 . . . . . . . . 5234 1 977 . 1 1 242 242 GLN N N 15 118.5 0.1 . 1 . . . . . . . . 5234 1 978 . 1 1 242 242 GLN H H 1 6.91 0.01 . 1 . . . . . . . . 5234 1 979 . 1 1 242 242 GLN CA C 13 54.2 0.2 . 1 . . . . . . . . 5234 1 980 . 1 1 242 242 GLN CB C 13 28.7 0.2 . 1 . . . . . . . . 5234 1 981 . 1 1 242 242 GLN C C 13 175.1 0.2 . 1 . . . . . . . . 5234 1 982 . 1 1 243 243 LEU N N 15 124.6 0.1 . 1 . . . . . . . . 5234 1 983 . 1 1 243 243 LEU H H 1 6.77 0.01 . 1 . . . . . . . . 5234 1 984 . 1 1 243 243 LEU CA C 13 55.9 0.2 . 1 . . . . . . . . 5234 1 985 . 1 1 243 243 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 5234 1 986 . 1 1 243 243 LEU C C 13 176.5 0.2 . 1 . . . . . . . . 5234 1 987 . 1 1 244 244 ASP N N 15 128.5 0.1 . 1 . . . . . . . . 5234 1 988 . 1 1 244 244 ASP H H 1 8.45 0.01 . 1 . . . . . . . . 5234 1 989 . 1 1 244 244 ASP CA C 13 53.1 0.2 . 1 . . . . . . . . 5234 1 990 . 1 1 244 244 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 5234 1 991 . 1 1 244 244 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 5234 1 992 . 1 1 245 245 GLY N N 15 111.3 0.1 . 1 . . . . . . . . 5234 1 993 . 1 1 245 245 GLY H H 1 7.45 0.01 . 1 . . . . . . . . 5234 1 994 . 1 1 245 245 GLY CA C 13 44.1 0.2 . 1 . . . . . . . . 5234 1 995 . 1 1 245 245 GLY C C 13 173.1 0.2 . 1 . . . . . . . . 5234 1 996 . 1 1 246 246 TYR N N 15 118.0 0.1 . 1 . . . . . . . . 5234 1 997 . 1 1 246 246 TYR H H 1 7.87 0.01 . 1 . . . . . . . . 5234 1 998 . 1 1 246 246 TYR CA C 13 56.9 0.2 . 1 . . . . . . . . 5234 1 999 . 1 1 246 246 TYR CB C 13 38.0 0.2 . 1 . . . . . . . . 5234 1 1000 . 1 1 246 246 TYR C C 13 174.7 0.2 . 1 . . . . . . . . 5234 1 1001 . 1 1 247 247 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 5234 1 1002 . 1 1 247 247 GLU H H 1 7.50 0.01 . 1 . . . . . . . . 5234 1 1003 . 1 1 247 247 GLU CA C 13 53.7 0.2 . 1 . . . . . . . . 5234 1 1004 . 1 1 247 247 GLU CB C 13 32.9 0.2 . 1 . . . . . . . . 5234 1 1005 . 1 1 247 247 GLU C C 13 173.7 0.2 . 1 . . . . . . . . 5234 1 1006 . 1 1 248 248 LEU N N 15 128.7 0.1 . 1 . . . . . . . . 5234 1 1007 . 1 1 248 248 LEU H H 1 8.78 0.01 . 1 . . . . . . . . 5234 1 1008 . 1 1 248 248 LEU CA C 13 53.9 0.2 . 1 . . . . . . . . 5234 1 1009 . 1 1 248 248 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 5234 1 1010 . 1 1 248 248 LEU C C 13 174.0 0.2 . 1 . . . . . . . . 5234 1 1011 . 1 1 249 249 ARG N N 15 129.3 0.1 . 1 . . . . . . . . 5234 1 1012 . 1 1 249 249 ARG H H 1 9.19 0.01 . 1 . . . . . . . . 5234 1 1013 . 1 1 249 249 ARG CA C 13 53.2 0.2 . 1 . . . . . . . . 5234 1 1014 . 1 1 249 249 ARG CB C 13 29.0 0.2 . 1 . . . . . . . . 5234 1 1015 . 1 1 251 251 GLN N N 15 114.0 0.1 . 1 . . . . . . . . 5234 1 1016 . 1 1 251 251 GLN H H 1 8.40 0.01 . 1 . . . . . . . . 5234 1 1017 . 1 1 251 251 GLN CA C 13 57.1 0.2 . 1 . . . . . . . . 5234 1 1018 . 1 1 251 251 GLN CB C 13 27.2 0.2 . 1 . . . . . . . . 5234 1 1019 . 1 1 251 251 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 5234 1 1020 . 1 1 252 252 ASP N N 15 119.5 0.1 . 1 . . . . . . . . 5234 1 1021 . 1 1 252 252 ASP H H 1 7.56 0.01 . 1 . . . . . . . . 5234 1 1022 . 1 1 252 252 ASP CA C 13 55.3 0.2 . 1 . . . . . . . . 5234 1 1023 . 1 1 252 252 ASP CB C 13 42.1 0.2 . 1 . . . . . . . . 5234 1 1024 . 1 1 252 252 ASP C C 13 175.0 0.2 . 1 . . . . . . . . 5234 1 1025 . 1 1 253 253 ILE N N 15 120.5 0.1 . 1 . . . . . . . . 5234 1 1026 . 1 1 253 253 ILE H H 1 7.06 0.01 . 1 . . . . . . . . 5234 1 1027 . 1 1 253 253 ILE CA C 13 59.5 0.2 . 1 . . . . . . . . 5234 1 1028 . 1 1 253 253 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 5234 1 1029 . 1 1 253 253 ILE C C 13 173.9 0.2 . 1 . . . . . . . . 5234 1 1030 . 1 1 254 254 LEU N N 15 129.1 0.1 . 1 . . . . . . . . 5234 1 1031 . 1 1 254 254 LEU H H 1 7.72 0.01 . 1 . . . . . . . . 5234 1 1032 . 1 1 254 254 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 5234 1 1033 . 1 1 254 254 LEU CB C 13 40.6 0.2 . 1 . . . . . . . . 5234 1 1034 . 1 1 254 254 LEU C C 13 175.4 0.2 . 1 . . . . . . . . 5234 1 1035 . 1 1 255 255 LEU N N 15 128.3 0.1 . 1 . . . . . . . . 5234 1 1036 . 1 1 255 255 LEU H H 1 7.94 0.01 . 1 . . . . . . . . 5234 1 1037 . 1 1 255 255 LEU CA C 13 51.0 0.2 . 1 . . . . . . . . 5234 1 1038 . 1 1 255 255 LEU CB C 13 40.2 0.2 . 1 . . . . . . . . 5234 1 1039 . 1 1 257 257 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 5234 1 1040 . 1 1 257 257 ASP H H 1 8.24 0.01 . 1 . . . . . . . . 5234 1 1041 . 1 1 257 257 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 5234 1 1042 . 1 1 257 257 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 5234 1 1043 . 1 1 257 257 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 5234 1 1044 . 1 1 258 258 TYR N N 15 122.7 0.1 . 1 . . . . . . . . 5234 1 1045 . 1 1 258 258 TYR H H 1 7.79 0.01 . 1 . . . . . . . . 5234 1 1046 . 1 1 258 258 TYR CA C 13 57.7 0.2 . 1 . . . . . . . . 5234 1 1047 . 1 1 258 258 TYR CB C 13 38.4 0.2 . 1 . . . . . . . . 5234 1 1048 . 1 1 258 258 TYR C C 13 175.1 0.2 . 1 . . . . . . . . 5234 1 1049 . 1 1 259 259 ASP N N 15 124.4 0.1 . 1 . . . . . . . . 5234 1 1050 . 1 1 259 259 ASP H H 1 7.99 0.01 . 1 . . . . . . . . 5234 1 1051 . 1 1 259 259 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 5234 1 1052 . 1 1 259 259 ASP CB C 13 40.6 0.2 . 1 . . . . . . . . 5234 1 1053 . 1 1 259 259 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 5234 1 1054 . 1 1 260 260 ALA N N 15 126.8 0.1 . 1 . . . . . . . . 5234 1 1055 . 1 1 260 260 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 5234 1 1056 . 1 1 260 260 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 5234 1 1057 . 1 1 260 260 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 5234 1 1058 . 1 1 260 260 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 5234 1 1059 . 1 1 261 261 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 5234 1 1060 . 1 1 261 261 ALA H H 1 7.95 0.01 . 1 . . . . . . . . 5234 1 1061 . 1 1 261 261 ALA CA C 13 52.4 0.2 . 1 . . . . . . . . 5234 1 1062 . 1 1 261 261 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 5234 1 1063 . 1 1 261 261 ALA C C 13 178.1 0.2 . 1 . . . . . . . . 5234 1 1064 . 1 1 262 262 THR N N 15 114.7 0.1 . 1 . . . . . . . . 5234 1 1065 . 1 1 262 262 THR H H 1 7.67 0.01 . 1 . . . . . . . . 5234 1 1066 . 1 1 262 262 THR CA C 13 61.7 0.2 . 1 . . . . . . . . 5234 1 1067 . 1 1 262 262 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 5234 1 1068 . 1 1 262 262 THR C C 13 174.6 0.2 . 1 . . . . . . . . 5234 1 1069 . 1 1 263 263 VAL N N 15 124.2 0.1 . 1 . . . . . . . . 5234 1 1070 . 1 1 263 263 VAL H H 1 7.70 0.01 . 1 . . . . . . . . 5234 1 1071 . 1 1 263 263 VAL CA C 13 61.7 0.2 . 1 . . . . . . . . 5234 1 1072 . 1 1 263 263 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 5234 1 1073 . 1 1 263 263 VAL C C 13 175.5 0.2 . 1 . . . . . . . . 5234 1 1074 . 1 1 264 264 ALA N N 15 129.6 0.1 . 1 . . . . . . . . 5234 1 1075 . 1 1 264 264 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 5234 1 1076 . 1 1 264 264 ALA CA C 13 51.7 0.2 . 1 . . . . . . . . 5234 1 1077 . 1 1 264 264 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 5234 1 1078 . 1 1 264 264 ALA C C 13 177.4 0.2 . 1 . . . . . . . . 5234 1 1079 . 1 1 265 265 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 5234 1 1080 . 1 1 265 265 VAL H H 1 7.88 0.01 . 1 . . . . . . . . 5234 1 1081 . 1 1 265 265 VAL CA C 13 61.8 0.2 . 1 . . . . . . . . 5234 1 1082 . 1 1 265 265 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 5234 1 1083 . 1 1 265 265 VAL C C 13 176.7 0.2 . 1 . . . . . . . . 5234 1 1084 . 1 1 266 266 GLY N N 15 114.1 0.1 . 1 . . . . . . . . 5234 1 1085 . 1 1 266 266 GLY H H 1 8.20 0.01 . 1 . . . . . . . . 5234 1 1086 . 1 1 266 266 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 5234 1 1087 . 1 1 266 266 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 5234 1 1088 . 1 1 267 267 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 5234 1 1089 . 1 1 267 267 GLU H H 1 8.09 0.01 . 1 . . . . . . . . 5234 1 1090 . 1 1 267 267 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 5234 1 1091 . 1 1 267 267 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 5234 1 1092 . 1 1 267 267 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5234 1 1093 . 1 1 268 268 ASP N N 15 122.5 0.1 . 1 . . . . . . . . 5234 1 1094 . 1 1 268 268 ASP H H 1 8.18 0.01 . 1 . . . . . . . . 5234 1 1095 . 1 1 268 268 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 5234 1 1096 . 1 1 268 268 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 5234 1 1097 . 1 1 268 268 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 5234 1 1098 . 1 1 269 269 ALA N N 15 125.9 0.1 . 1 . . . . . . . . 5234 1 1099 . 1 1 269 269 ALA H H 1 7.91 0.01 . 1 . . . . . . . . 5234 1 1100 . 1 1 269 269 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 5234 1 1101 . 1 1 269 269 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 5234 1 1102 . 1 1 269 269 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 5234 1 1103 . 1 1 270 270 MET N N 15 121.0 0.1 . 1 . . . . . . . . 5234 1 1104 . 1 1 270 270 MET H H 1 8.06 0.01 . 1 . . . . . . . . 5234 1 1105 . 1 1 270 270 MET CA C 13 55.0 0.2 . 1 . . . . . . . . 5234 1 1106 . 1 1 270 270 MET CB C 13 31.9 0.2 . 1 . . . . . . . . 5234 1 1107 . 1 1 270 270 MET C C 13 176.4 0.2 . 1 . . . . . . . . 5234 1 1108 . 1 1 271 271 GLU N N 15 124.0 0.1 . 1 . . . . . . . . 5234 1 1109 . 1 1 271 271 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 5234 1 1110 . 1 1 271 271 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 5234 1 1111 . 1 1 271 271 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 5234 1 1112 . 1 1 271 271 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 5234 1 1113 . 1 1 272 272 GLY N N 15 112.0 0.1 . 1 . . . . . . . . 5234 1 1114 . 1 1 272 272 GLY H H 1 8.20 0.01 . 1 . . . . . . . . 5234 1 1115 . 1 1 272 272 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 5234 1 1116 . 1 1 272 272 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 5234 1 1117 . 1 1 273 273 SER N N 15 117.4 0.1 . 1 . . . . . . . . 5234 1 1118 . 1 1 273 273 SER H H 1 7.96 0.01 . 1 . . . . . . . . 5234 1 1119 . 1 1 273 273 SER CA C 13 57.8 0.2 . 1 . . . . . . . . 5234 1 1120 . 1 1 273 273 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 5234 1 1121 . 1 1 273 273 SER C C 13 174.9 0.2 . 1 . . . . . . . . 5234 1 1122 . 1 1 274 274 LEU N N 15 125.8 0.1 . 1 . . . . . . . . 5234 1 1123 . 1 1 274 274 LEU H H 1 8.18 0.01 . 1 . . . . . . . . 5234 1 1124 . 1 1 274 274 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 5234 1 1125 . 1 1 274 274 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 5234 1 1126 . 1 1 274 274 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 5234 1 1127 . 1 1 275 275 ASP N N 15 122.2 0.1 . 1 . . . . . . . . 5234 1 1128 . 1 1 275 275 ASP H H 1 8.01 0.01 . 1 . . . . . . . . 5234 1 1129 . 1 1 275 275 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 5234 1 1130 . 1 1 275 275 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 5234 1 1131 . 1 1 275 275 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 5234 1 1132 . 1 1 276 276 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 5234 1 1133 . 1 1 276 276 GLU H H 1 7.98 0.01 . 1 . . . . . . . . 5234 1 1134 . 1 1 276 276 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 5234 1 1135 . 1 1 276 276 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 5234 1 1136 . 1 1 276 276 GLU C C 13 177.2 0.2 . 1 . . . . . . . . 5234 1 1137 . 1 1 277 277 ILE N N 15 122.9 0.1 . 1 . . . . . . . . 5234 1 1138 . 1 1 277 277 ILE H H 1 7.94 0.01 . 1 . . . . . . . . 5234 1 1139 . 1 1 277 277 ILE CA C 13 61.8 0.2 . 1 . . . . . . . . 5234 1 1140 . 1 1 277 277 ILE CB C 13 37.3 0.2 . 1 . . . . . . . . 5234 1 1141 . 1 1 277 277 ILE C C 13 177.3 0.2 . 1 . . . . . . . . 5234 1 1142 . 1 1 278 278 THR N N 15 118.2 0.1 . 1 . . . . . . . . 5234 1 1143 . 1 1 278 278 THR H H 1 7.92 0.01 . 1 . . . . . . . . 5234 1 1144 . 1 1 278 278 THR CA C 13 62.7 0.2 . 1 . . . . . . . . 5234 1 1145 . 1 1 278 278 THR CB C 13 68.9 0.2 . 1 . . . . . . . . 5234 1 1146 . 1 1 278 278 THR C C 13 175.3 0.2 . 1 . . . . . . . . 5234 1 1147 . 1 1 279 279 SER N N 15 119.2 0.1 . 1 . . . . . . . . 5234 1 1148 . 1 1 279 279 SER H H 1 7.91 0.01 . 1 . . . . . . . . 5234 1 1149 . 1 1 279 279 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 5234 1 1150 . 1 1 279 279 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 5234 1 1151 . 1 1 279 279 SER C C 13 174.8 0.2 . 1 . . . . . . . . 5234 1 1152 . 1 1 280 280 ARG N N 15 124.1 0.1 . 1 . . . . . . . . 5234 1 1153 . 1 1 280 280 ARG H H 1 7.85 0.01 . 1 . . . . . . . . 5234 1 1154 . 1 1 280 280 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 5234 1 1155 . 1 1 280 280 ARG CB C 13 29.5 0.2 . 1 . . . . . . . . 5234 1 1156 . 1 1 280 280 ARG C C 13 176.5 0.2 . 1 . . . . . . . . 5234 1 1157 . 1 1 281 281 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5234 1 1158 . 1 1 281 281 LEU H H 1 7.84 0.01 . 1 . . . . . . . . 5234 1 1159 . 1 1 281 281 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 5234 1 1160 . 1 1 281 281 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 5234 1 1161 . 1 1 281 281 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 5234 1 1162 . 1 1 282 282 GLU N N 15 122.5 0.1 . 1 . . . . . . . . 5234 1 1163 . 1 1 282 282 GLU H H 1 8.02 0.01 . 1 . . . . . . . . 5234 1 1164 . 1 1 282 282 GLU CA C 13 56.2 0.2 . 1 . . . . . . . . 5234 1 1165 . 1 1 282 282 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 5234 1 stop_ save_