data_15706 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15706 _Entry.Title ; Backbone Chemical Shift Assignments for DPF inhibited Mature Subtilisin E ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-01 _Entry.Accession_date 2008-04-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yu-Jen Chen . . . 15706 2 Kuen-Phon Wu . . . 15706 3 Seho Kim . . . 15706 4 Liliana Falzon . . . 15706 5 Masayori Inouye . . . 15706 6 Jean Baum . . . 15706 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15706 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 776 15706 '15N chemical shifts' 252 15706 '1H chemical shifts' 252 15706 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-08-13 2008-04-01 update BMRB 'added PubMed ID' 15706 2 . . 2008-12-02 2008-04-01 update BMRB 'complete entry citation' 15706 1 . . 2008-08-08 2008-04-01 original author 'original release' 15706 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15706 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636887 _Citation.Full_citation . _Citation.Title 'Backbone NMR assignments of DFP-inhibited mature subtilisin E' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 131 _Citation.Page_last 133 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yu-Jen Chen . . . 15706 1 2 Kuen-Phon Wu . . . 15706 1 3 Seho Kim . . . 15706 1 4 Liliana Falzon . . . 15706 1 5 Masayori Inouye . . . 15706 1 6 Jean Baum . . . 15706 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intramolecular chaperone' 15706 1 Propeptide 15706 1 'Serine protease' 15706 1 Subtilisin 15706 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15706 _Assembly.ID 1 _Assembly.Name 'DFP inhibited mature subtilisin E' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Subtilisin E' 1 $Subtilisin_E A . yes native no no . . . 15706 1 2 DFP 2 $DFP A . no native no no . . . 15706 1 3 Calcium 3 $CA A . no native no no . . . 15706 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Subtilisin_E _Entity.Sf_category entity _Entity.Sf_framecode Subtilisin_E _Entity.Entry_ID 15706 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Subtilisin_E _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 ; AQSFPYGISQIKAPALHSQG YTGSNVKVAVIDSGIDSSHP DLNVRGGASFVPSETNPYQD GSSHGTHVAGTIAALNNSIG VLGVAPSASLYAVKVLDSTG SGQYSWIINGIEWAISNNMD VINMSLGGPTGSTALKTVVD KAVSSGIVVAAAAGNEGSSG STSTVGYPAKYPSTIAVGAV NSSNQRASFSSAGSELDVMA PGVSIQSTLPGGTYGAYNGT SMATPHVAGAAALILSKHPT WTNAQVRDRLESTATYLGNS FYYGKGLINVQAAAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 275 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1MEE . "The Complex Between The Subtilisin From A Mesophilic Bacterium And The Leech Inhibitor Eglin-C" . . . . . 100.00 275 98.91 99.64 0.00e+00 . . . . 15706 1 2 no PDB 1SCJ . "Crystal Structure Of Subtilisin-Propeptide Complex" . . . . . 100.00 275 98.91 99.27 0.00e+00 . . . . 15706 1 3 no PDB 3VYV . "Crystal Structure Of Subtilisin Nat At 1.36" . . . . . 100.00 275 98.91 98.91 0.00e+00 . . . . 15706 1 4 no PDB 3WHI . "Crystal Structure Of Unautoprocessed Form Of Is1-inserted Pro- Subtilisin E" . . . . . 100.00 365 98.91 99.64 0.00e+00 . . . . 15706 1 5 no PDB 4DWW . "Crystal Structure Of Nattokinase From Bacillus Subtilis Natto" . . . . . 100.00 275 98.91 98.91 0.00e+00 . . . . 15706 1 6 no DBJ BAA00186 . "subtilisin amylosacchariticus precursor [Bacillus subtilis subsp. amylosacchariticus]" . . . . . 100.00 381 98.55 99.64 0.00e+00 . . . . 15706 1 7 no DBJ BAA04989 . "subtilisin [Bacillus subtilis]" . . . . . 100.00 381 99.27 99.27 0.00e+00 . . . . 15706 1 8 no DBJ BAI84580 . "alkaline serine kinase [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 381 99.27 99.27 0.00e+00 . . . . 15706 1 9 no DBJ BAM49945 . "serine alkaline protease [Bacillus subtilis BEST7613]" . . . . . 100.00 381 99.64 99.64 0.00e+00 . . . . 15706 1 10 no DBJ BAM57214 . "serine alkaline protease [Bacillus subtilis BEST7003]" . . . . . 100.00 381 99.64 99.64 0.00e+00 . . . . 15706 1 11 no EMBL CAA74536 . "subtilisin E precursor [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 381 99.27 99.64 0.00e+00 . . . . 15706 1 12 no EMBL CAB12870 . "serine alkaline protease (subtilisin E) [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 381 99.64 99.64 0.00e+00 . . . . 15706 1 13 no EMBL CAC41625 . "nattokinase [Bacillus subtilis]" . . . . . 100.00 275 98.55 99.27 0.00e+00 . . . . 15706 1 14 no EMBL CAE18180 . "subtilisin [Bacillus subtilis]" . . . . . 100.00 381 97.09 98.18 0.00e+00 . . . . 15706 1 15 no EMBL CCG39575 . "thermostable fibrinolytic enzyme [Bacillus subtilis]" . . . . . 100.00 381 98.91 99.64 0.00e+00 . . . . 15706 1 16 no GB AAA22247 . "subtilisin J [Geobacillus stearothermophilus]" . . . . . 100.00 381 98.55 99.64 0.00e+00 . . . . 15706 1 17 no GB AAA22742 . "subtilisin (gtg start codon) [Bacillus subtilis]" . . . . . 100.00 381 99.27 99.64 0.00e+00 . . . . 15706 1 18 no GB AAB47045 . "subtilisin=thermostable serine protease/thermostable mesentericopeptidase homolog [Bacillus subtilis, RT-5, Pakistani Tharparka" . . . . . 100.00 275 99.27 99.64 0.00e+00 . . . . 15706 1 19 no GB AAC60424 . "subtilisin NAT [Bacillus subtilis subsp. natto]" . . . . . 100.00 381 99.27 99.27 0.00e+00 . . . . 15706 1 20 no GB AAK54130 . "serkinase-nattokinase [Bacillus subtilis subsp. natto]" . . . . . 100.00 381 99.27 99.27 0.00e+00 . . . . 15706 1 21 no PRF 1203267A . mesentericopeptidase,alkaline . . . . . 100.00 275 98.18 99.64 0.00e+00 . . . . 15706 1 22 no PRF 1408206A . "subtilisin amylosacchariticus gene" . . . . . 100.00 381 98.18 99.27 0.00e+00 . . . . 15706 1 23 no PRF 1903156A . subtilisin:ISOTYPE=NAT . . . . . 100.00 381 99.27 99.27 0.00e+00 . . . . 15706 1 24 no REF NP_388911 . "subtilisin E [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 381 99.64 99.64 0.00e+00 . . . . 15706 1 25 no REF WP_003233171 . "MULTISPECIES: subtilisin E [Bacillus]" . . . . . 100.00 381 99.64 99.64 0.00e+00 . . . . 15706 1 26 no REF WP_003239459 . "subtilisin [Bacillus subtilis]" . . . . . 100.00 381 97.82 99.64 0.00e+00 . . . . 15706 1 27 no REF WP_009966941 . "subtilisin E [Bacillus subtilis]" . . . . . 100.00 381 99.27 99.64 0.00e+00 . . . . 15706 1 28 no REF WP_010333625 . "peptidase S8 [Bacillus mojavensis]" . . . . . 100.00 381 97.82 99.27 0.00e+00 . . . . 15706 1 29 no SP P00783 . "RecName: Full=Subtilisin amylosacchariticus; Flags: Precursor" . . . . . 100.00 381 98.55 99.64 0.00e+00 . . . . 15706 1 30 no SP P04189 . "RecName: Full=Subtilisin E; Flags: Precursor" . . . . . 100.00 381 99.64 99.64 0.00e+00 . . . . 15706 1 31 no SP P07518 . "RecName: Full=Subtilisin; AltName: Full=Alkaline mesentericopeptidase" . . . . . 100.00 275 98.18 99.64 0.00e+00 . . . . 15706 1 32 no SP P29142 . "RecName: Full=Subtilisin J; Flags: Precursor" . . . . . 100.00 381 98.55 99.64 0.00e+00 . . . . 15706 1 33 no SP P35835 . "RecName: Full=Subtilisin NAT; AltName: Full=Nattokinase; Flags: Precursor" . . . . . 100.00 381 99.27 99.27 0.00e+00 . . . . 15706 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 . ALA . 15706 1 2 . GLN . 15706 1 3 . SER . 15706 1 4 . PHE . 15706 1 5 . PRO . 15706 1 6 . TYR . 15706 1 7 . GLY . 15706 1 8 . ILE . 15706 1 9 . SER . 15706 1 10 . GLN . 15706 1 11 . ILE . 15706 1 12 . LYS . 15706 1 13 . ALA . 15706 1 14 . PRO . 15706 1 15 . ALA . 15706 1 16 . LEU . 15706 1 17 . HIS . 15706 1 18 . SER . 15706 1 19 . GLN . 15706 1 20 . GLY . 15706 1 21 . TYR . 15706 1 22 . THR . 15706 1 23 . GLY . 15706 1 24 . SER . 15706 1 25 . ASN . 15706 1 26 . VAL . 15706 1 27 . LYS . 15706 1 28 . VAL . 15706 1 29 . ALA . 15706 1 30 . VAL . 15706 1 31 . ILE . 15706 1 32 . ASP . 15706 1 33 . SER . 15706 1 34 . GLY . 15706 1 35 . ILE . 15706 1 36 . ASP . 15706 1 37 . SER . 15706 1 38 . SER . 15706 1 39 . HIS . 15706 1 40 . PRO . 15706 1 41 . ASP . 15706 1 42 . LEU . 15706 1 43 . ASN . 15706 1 44 . VAL . 15706 1 45 . ARG . 15706 1 46 . GLY . 15706 1 47 . GLY . 15706 1 48 . ALA . 15706 1 49 . SER . 15706 1 50 . PHE . 15706 1 51 . VAL . 15706 1 52 . PRO . 15706 1 53 . SER . 15706 1 54 . GLU . 15706 1 55 . THR . 15706 1 56 . ASN . 15706 1 57 . PRO . 15706 1 58 . TYR . 15706 1 59 . GLN . 15706 1 60 . ASP . 15706 1 61 . GLY . 15706 1 62 . SER . 15706 1 63 . SER . 15706 1 64 . HIS . 15706 1 65 . GLY . 15706 1 66 . THR . 15706 1 67 . HIS . 15706 1 68 . VAL . 15706 1 69 . ALA . 15706 1 70 . GLY . 15706 1 71 . THR . 15706 1 72 . ILE . 15706 1 73 . ALA . 15706 1 74 . ALA . 15706 1 75 . LEU . 15706 1 76 . ASN . 15706 1 77 . ASN . 15706 1 78 . SER . 15706 1 79 . ILE . 15706 1 80 . GLY . 15706 1 81 . VAL . 15706 1 82 . LEU . 15706 1 83 . GLY . 15706 1 84 . VAL . 15706 1 85 . ALA . 15706 1 86 . PRO . 15706 1 87 . SER . 15706 1 88 . ALA . 15706 1 89 . SER . 15706 1 90 . LEU . 15706 1 91 . TYR . 15706 1 92 . ALA . 15706 1 93 . VAL . 15706 1 94 . LYS . 15706 1 95 . VAL . 15706 1 96 . LEU . 15706 1 97 . ASP . 15706 1 98 . SER . 15706 1 99 . THR . 15706 1 100 . GLY . 15706 1 101 . SER . 15706 1 102 . GLY . 15706 1 103 . GLN . 15706 1 104 . TYR . 15706 1 105 . SER . 15706 1 106 . TRP . 15706 1 107 . ILE . 15706 1 108 . ILE . 15706 1 109 . ASN . 15706 1 110 . GLY . 15706 1 111 . ILE . 15706 1 112 . GLU . 15706 1 113 . TRP . 15706 1 114 . ALA . 15706 1 115 . ILE . 15706 1 116 . SER . 15706 1 117 . ASN . 15706 1 118 . ASN . 15706 1 119 . MET . 15706 1 120 . ASP . 15706 1 121 . VAL . 15706 1 122 . ILE . 15706 1 123 . ASN . 15706 1 124 . MET . 15706 1 125 . SER . 15706 1 126 . LEU . 15706 1 127 . GLY . 15706 1 128 . GLY . 15706 1 129 . PRO . 15706 1 130 . THR . 15706 1 131 . GLY . 15706 1 132 . SER . 15706 1 133 . THR . 15706 1 134 . ALA . 15706 1 135 . LEU . 15706 1 136 . LYS . 15706 1 137 . THR . 15706 1 138 . VAL . 15706 1 139 . VAL . 15706 1 140 . ASP . 15706 1 141 . LYS . 15706 1 142 . ALA . 15706 1 143 . VAL . 15706 1 144 . SER . 15706 1 145 . SER . 15706 1 146 . GLY . 15706 1 147 . ILE . 15706 1 148 . VAL . 15706 1 149 . VAL . 15706 1 150 . ALA . 15706 1 151 . ALA . 15706 1 152 . ALA . 15706 1 153 . ALA . 15706 1 154 . GLY . 15706 1 155 . ASN . 15706 1 156 . GLU . 15706 1 157 . GLY . 15706 1 158 . SER . 15706 1 159 . SER . 15706 1 160 . GLY . 15706 1 161 . SER . 15706 1 162 . THR . 15706 1 163 . SER . 15706 1 164 . THR . 15706 1 165 . VAL . 15706 1 166 . GLY . 15706 1 167 . TYR . 15706 1 168 . PRO . 15706 1 169 . ALA . 15706 1 170 . LYS . 15706 1 171 . TYR . 15706 1 172 . PRO . 15706 1 173 . SER . 15706 1 174 . THR . 15706 1 175 . ILE . 15706 1 176 . ALA . 15706 1 177 . VAL . 15706 1 178 . GLY . 15706 1 179 . ALA . 15706 1 180 . VAL . 15706 1 181 . ASN . 15706 1 182 . SER . 15706 1 183 . SER . 15706 1 184 . ASN . 15706 1 185 . GLN . 15706 1 186 . ARG . 15706 1 187 . ALA . 15706 1 188 . SER . 15706 1 189 . PHE . 15706 1 190 . SER . 15706 1 191 . SER . 15706 1 192 . ALA . 15706 1 193 . GLY . 15706 1 194 . SER . 15706 1 195 . GLU . 15706 1 196 . LEU . 15706 1 197 . ASP . 15706 1 198 . VAL . 15706 1 199 . MET . 15706 1 200 . ALA . 15706 1 201 . PRO . 15706 1 202 . GLY . 15706 1 203 . VAL . 15706 1 204 . SER . 15706 1 205 . ILE . 15706 1 206 . GLN . 15706 1 207 . SER . 15706 1 208 . THR . 15706 1 209 . LEU . 15706 1 210 . PRO . 15706 1 211 . GLY . 15706 1 212 . GLY . 15706 1 213 . THR . 15706 1 214 . TYR . 15706 1 215 . GLY . 15706 1 216 . ALA . 15706 1 217 . TYR . 15706 1 218 . ASN . 15706 1 219 . GLY . 15706 1 220 . THR . 15706 1 221 . SER . 15706 1 222 . MET . 15706 1 223 . ALA . 15706 1 224 . THR . 15706 1 225 . PRO . 15706 1 226 . HIS . 15706 1 227 . VAL . 15706 1 228 . ALA . 15706 1 229 . GLY . 15706 1 230 . ALA . 15706 1 231 . ALA . 15706 1 232 . ALA . 15706 1 233 . LEU . 15706 1 234 . ILE . 15706 1 235 . LEU . 15706 1 236 . SER . 15706 1 237 . LYS . 15706 1 238 . HIS . 15706 1 239 . PRO . 15706 1 240 . THR . 15706 1 241 . TRP . 15706 1 242 . THR . 15706 1 243 . ASN . 15706 1 244 . ALA . 15706 1 245 . GLN . 15706 1 246 . VAL . 15706 1 247 . ARG . 15706 1 248 . ASP . 15706 1 249 . ARG . 15706 1 250 . LEU . 15706 1 251 . GLU . 15706 1 252 . SER . 15706 1 253 . THR . 15706 1 254 . ALA . 15706 1 255 . THR . 15706 1 256 . TYR . 15706 1 257 . LEU . 15706 1 258 . GLY . 15706 1 259 . ASN . 15706 1 260 . SER . 15706 1 261 . PHE . 15706 1 262 . TYR . 15706 1 263 . TYR . 15706 1 264 . GLY . 15706 1 265 . LYS . 15706 1 266 . GLY . 15706 1 267 . LEU . 15706 1 268 . ILE . 15706 1 269 . ASN . 15706 1 270 . VAL . 15706 1 271 . GLN . 15706 1 272 . ALA . 15706 1 273 . ALA . 15706 1 274 . ALA . 15706 1 275 . GLN . 15706 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 . ALA 1 1 15706 1 . GLN 2 2 15706 1 . SER 3 3 15706 1 . PHE 4 4 15706 1 . PRO 5 5 15706 1 . TYR 6 6 15706 1 . GLY 7 7 15706 1 . ILE 8 8 15706 1 . SER 9 9 15706 1 . GLN 10 10 15706 1 . ILE 11 11 15706 1 . LYS 12 12 15706 1 . ALA 13 13 15706 1 . PRO 14 14 15706 1 . ALA 15 15 15706 1 . LEU 16 16 15706 1 . HIS 17 17 15706 1 . SER 18 18 15706 1 . GLN 19 19 15706 1 . GLY 20 20 15706 1 . TYR 21 21 15706 1 . THR 22 22 15706 1 . GLY 23 23 15706 1 . SER 24 24 15706 1 . ASN 25 25 15706 1 . VAL 26 26 15706 1 . LYS 27 27 15706 1 . VAL 28 28 15706 1 . ALA 29 29 15706 1 . VAL 30 30 15706 1 . ILE 31 31 15706 1 . ASP 32 32 15706 1 . SER 33 33 15706 1 . GLY 34 34 15706 1 . ILE 35 35 15706 1 . ASP 36 36 15706 1 . SER 37 37 15706 1 . SER 38 38 15706 1 . HIS 39 39 15706 1 . PRO 40 40 15706 1 . ASP 41 41 15706 1 . LEU 42 42 15706 1 . ASN 43 43 15706 1 . VAL 44 44 15706 1 . ARG 45 45 15706 1 . GLY 46 46 15706 1 . GLY 47 47 15706 1 . ALA 48 48 15706 1 . SER 49 49 15706 1 . PHE 50 50 15706 1 . VAL 51 51 15706 1 . PRO 52 52 15706 1 . SER 53 53 15706 1 . GLU 54 54 15706 1 . THR 55 55 15706 1 . ASN 56 56 15706 1 . PRO 57 57 15706 1 . TYR 58 58 15706 1 . GLN 59 59 15706 1 . ASP 60 60 15706 1 . GLY 61 61 15706 1 . SER 62 62 15706 1 . SER 63 63 15706 1 . HIS 64 64 15706 1 . GLY 65 65 15706 1 . THR 66 66 15706 1 . HIS 67 67 15706 1 . VAL 68 68 15706 1 . ALA 69 69 15706 1 . GLY 70 70 15706 1 . THR 71 71 15706 1 . ILE 72 72 15706 1 . ALA 73 73 15706 1 . ALA 74 74 15706 1 . LEU 75 75 15706 1 . ASN 76 76 15706 1 . ASN 77 77 15706 1 . SER 78 78 15706 1 . ILE 79 79 15706 1 . GLY 80 80 15706 1 . VAL 81 81 15706 1 . LEU 82 82 15706 1 . GLY 83 83 15706 1 . VAL 84 84 15706 1 . ALA 85 85 15706 1 . PRO 86 86 15706 1 . SER 87 87 15706 1 . ALA 88 88 15706 1 . SER 89 89 15706 1 . LEU 90 90 15706 1 . TYR 91 91 15706 1 . ALA 92 92 15706 1 . VAL 93 93 15706 1 . LYS 94 94 15706 1 . VAL 95 95 15706 1 . LEU 96 96 15706 1 . ASP 97 97 15706 1 . SER 98 98 15706 1 . THR 99 99 15706 1 . GLY 100 100 15706 1 . SER 101 101 15706 1 . GLY 102 102 15706 1 . GLN 103 103 15706 1 . TYR 104 104 15706 1 . SER 105 105 15706 1 . TRP 106 106 15706 1 . ILE 107 107 15706 1 . ILE 108 108 15706 1 . ASN 109 109 15706 1 . GLY 110 110 15706 1 . ILE 111 111 15706 1 . GLU 112 112 15706 1 . TRP 113 113 15706 1 . ALA 114 114 15706 1 . ILE 115 115 15706 1 . SER 116 116 15706 1 . ASN 117 117 15706 1 . ASN 118 118 15706 1 . MET 119 119 15706 1 . ASP 120 120 15706 1 . VAL 121 121 15706 1 . ILE 122 122 15706 1 . ASN 123 123 15706 1 . MET 124 124 15706 1 . SER 125 125 15706 1 . LEU 126 126 15706 1 . GLY 127 127 15706 1 . GLY 128 128 15706 1 . PRO 129 129 15706 1 . THR 130 130 15706 1 . GLY 131 131 15706 1 . SER 132 132 15706 1 . THR 133 133 15706 1 . ALA 134 134 15706 1 . LEU 135 135 15706 1 . LYS 136 136 15706 1 . THR 137 137 15706 1 . VAL 138 138 15706 1 . VAL 139 139 15706 1 . ASP 140 140 15706 1 . LYS 141 141 15706 1 . ALA 142 142 15706 1 . VAL 143 143 15706 1 . SER 144 144 15706 1 . SER 145 145 15706 1 . GLY 146 146 15706 1 . ILE 147 147 15706 1 . VAL 148 148 15706 1 . VAL 149 149 15706 1 . ALA 150 150 15706 1 . ALA 151 151 15706 1 . ALA 152 152 15706 1 . ALA 153 153 15706 1 . GLY 154 154 15706 1 . ASN 155 155 15706 1 . GLU 156 156 15706 1 . GLY 157 157 15706 1 . SER 158 158 15706 1 . SER 159 159 15706 1 . GLY 160 160 15706 1 . SER 161 161 15706 1 . THR 162 162 15706 1 . SER 163 163 15706 1 . THR 164 164 15706 1 . VAL 165 165 15706 1 . GLY 166 166 15706 1 . TYR 167 167 15706 1 . PRO 168 168 15706 1 . ALA 169 169 15706 1 . LYS 170 170 15706 1 . TYR 171 171 15706 1 . PRO 172 172 15706 1 . SER 173 173 15706 1 . THR 174 174 15706 1 . ILE 175 175 15706 1 . ALA 176 176 15706 1 . VAL 177 177 15706 1 . GLY 178 178 15706 1 . ALA 179 179 15706 1 . VAL 180 180 15706 1 . ASN 181 181 15706 1 . SER 182 182 15706 1 . SER 183 183 15706 1 . ASN 184 184 15706 1 . GLN 185 185 15706 1 . ARG 186 186 15706 1 . ALA 187 187 15706 1 . SER 188 188 15706 1 . PHE 189 189 15706 1 . SER 190 190 15706 1 . SER 191 191 15706 1 . ALA 192 192 15706 1 . GLY 193 193 15706 1 . SER 194 194 15706 1 . GLU 195 195 15706 1 . LEU 196 196 15706 1 . ASP 197 197 15706 1 . VAL 198 198 15706 1 . MET 199 199 15706 1 . ALA 200 200 15706 1 . PRO 201 201 15706 1 . GLY 202 202 15706 1 . VAL 203 203 15706 1 . SER 204 204 15706 1 . ILE 205 205 15706 1 . GLN 206 206 15706 1 . SER 207 207 15706 1 . THR 208 208 15706 1 . LEU 209 209 15706 1 . PRO 210 210 15706 1 . GLY 211 211 15706 1 . GLY 212 212 15706 1 . THR 213 213 15706 1 . TYR 214 214 15706 1 . GLY 215 215 15706 1 . ALA 216 216 15706 1 . TYR 217 217 15706 1 . ASN 218 218 15706 1 . GLY 219 219 15706 1 . THR 220 220 15706 1 . SER 221 221 15706 1 . MET 222 222 15706 1 . ALA 223 223 15706 1 . THR 224 224 15706 1 . PRO 225 225 15706 1 . HIS 226 226 15706 1 . VAL 227 227 15706 1 . ALA 228 228 15706 1 . GLY 229 229 15706 1 . ALA 230 230 15706 1 . ALA 231 231 15706 1 . ALA 232 232 15706 1 . LEU 233 233 15706 1 . ILE 234 234 15706 1 . LEU 235 235 15706 1 . SER 236 236 15706 1 . LYS 237 237 15706 1 . HIS 238 238 15706 1 . PRO 239 239 15706 1 . THR 240 240 15706 1 . TRP 241 241 15706 1 . THR 242 242 15706 1 . ASN 243 243 15706 1 . ALA 244 244 15706 1 . GLN 245 245 15706 1 . VAL 246 246 15706 1 . ARG 247 247 15706 1 . ASP 248 248 15706 1 . ARG 249 249 15706 1 . LEU 250 250 15706 1 . GLU 251 251 15706 1 . SER 252 252 15706 1 . THR 253 253 15706 1 . ALA 254 254 15706 1 . THR 255 255 15706 1 . TYR 256 256 15706 1 . LEU 257 257 15706 1 . GLY 258 258 15706 1 . ASN 259 259 15706 1 . SER 260 260 15706 1 . PHE 261 261 15706 1 . TYR 262 262 15706 1 . TYR 263 263 15706 1 . GLY 264 264 15706 1 . LYS 265 265 15706 1 . GLY 266 266 15706 1 . LEU 267 267 15706 1 . ILE 268 268 15706 1 . ASN 269 269 15706 1 . VAL 270 270 15706 1 . GLN 271 271 15706 1 . ALA 272 272 15706 1 . ALA 273 273 15706 1 . ALA 274 274 15706 1 . GLN 275 275 15706 1 stop_ save_ save_DFP _Entity.Sf_category entity _Entity.Sf_framecode DFP _Entity.Entry_ID 15706 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DFP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID DFP _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DFP . 15706 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15706 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 15706 3 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 15706 _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 $Subtilisin_E . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 15706 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 15706 _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 $Subtilisin_E . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11a . . . . . . 15706 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DFP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DFP _Chem_comp.Entry_ID 15706 _Chem_comp.ID DFP _Chem_comp.Provenance . _Chem_comp.Name 'DIISOPROPYL PHOSPHONATE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code DFP _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code DFP _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H15 O3 P' _Chem_comp.Formula_weight 166.155 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:36:01 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)O[PH](=O)OC(C)C SMILES CACTVS 3.341 15706 DFP CC(C)O[PH](=O)OC(C)C SMILES_CANONICAL CACTVS 3.341 15706 DFP CC(C)OP(=O)OC(C)C SMILES 'OpenEye OEToolkits' 1.5.0 15706 DFP CC(C)OP(=O)OC(C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15706 DFP InChI=1/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3 InChI InChI 1.01 15706 DFP O=P(OC(C)C)OC(C)C SMILES ACDLabs 10.04 15706 DFP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-propan-2-yloxyphosphonoyloxypropane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15706 DFP 'bis(1-methylethyl) phosphonate' 'SYSTEMATIC NAME' ACDLabs 10.04 15706 DFP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP C1' . C1' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP C2 . C2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP C2' . C2' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP C3 . C3 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP C3' . C3' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H1 . H1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H1' . H1' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H21 . H21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H2'1 . H2'1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H22 . H22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H2'2 . H2'2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H23 . H23 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H2'3 . H2'3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H31 . H31 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H3'1 . H3'1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H32 . H32 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H3'2 . H3'2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H33 . H33 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP H3'3 . H3'3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP HP1 . HP1 . . H . N . 0 . . . . no yes . . . . . . . . . . . . . . . 15706 DFP O1P . O1P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP O2P . O2P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP O3P . O3P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP P . P . . P . N . 0 . . . . no no . . . . . . . . . . . . . . . 15706 DFP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 . . . . 15706 DFP 2 . SING C1 C3 . . . . 15706 DFP 3 . SING C1 O1P . . . . 15706 DFP 4 . SING C1 H1 . . . . 15706 DFP 5 . SING C2 H21 . . . . 15706 DFP 6 . SING C2 H22 . . . . 15706 DFP 7 . SING C2 H23 . . . . 15706 DFP 8 . SING C3 H31 . . . . 15706 DFP 9 . SING C3 H32 . . . . 15706 DFP 10 . SING C3 H33 . . . . 15706 DFP 11 . SING C1' C2' . . . . 15706 DFP 12 . SING C1' C3' . . . . 15706 DFP 13 . SING C1' O2P . . . . 15706 DFP 14 . SING C1' H1' . . . . 15706 DFP 15 . SING C2' H2'1 . . . . 15706 DFP 16 . SING C2' H2'2 . . . . 15706 DFP 17 . SING C2' H2'3 . . . . 15706 DFP 18 . SING C3' H3'1 . . . . 15706 DFP 19 . SING C3' H3'2 . . . . 15706 DFP 20 . SING C3' H3'3 . . . . 15706 DFP 21 . SING P O1P . . . . 15706 DFP 22 . SING P O2P . . . . 15706 DFP 23 . DOUB P O3P . . . . 15706 DFP 24 . SING HP1 P . . . . 15706 DFP stop_ save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 15706 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CA _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca++] SMILES CACTVS 3.341 15706 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 15706 CA [Ca+2] SMILES ACDLabs 10.04 15706 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 15706 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15706 CA InChI=1/Ca/q+2 InChI InChI 1.01 15706 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 15706 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15706 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . N . 2 . . . . no no . . . . . . . . . . . . . . . 15706 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15706 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Subtilisin E' '[U-13C; U-15N]' . . 1 $Subtilisin_E . . 0.3 . . mM . . . . 15706 1 2 DFP 'natural abundance' . . 2 $DFP . . 0.3 . . mM . . . . 15706 1 3 MES 'natural abundance' . . . . . . 25 . . mM . . . . 15706 1 4 'calcium chloride' 'natural abundance' . . 3 $CA . . 100 . . mM . . . . 15706 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15706 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.32 . M 15706 1 pH 6.5 . pH 15706 1 pressure 1 . atm 15706 1 temperature 303 . K 15706 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15706 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2007.030.16.06 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15706 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15706 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15706 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15706 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15706 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15706 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15706 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15706 3 'peak picking' 15706 3 stop_ save_ save_AutoLink _Software.Sf_category software _Software.Sf_framecode AutoLink _Software.Entry_ID 15706 _Software.ID 4 _Software.Name AutoLink _Software.Version 0.81 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'James E. Masse and Rochus Keller' . . 15706 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15706 4 stop_ save_ save_PINE_server _Software.Sf_category software _Software.Sf_framecode PINE_server _Software.Entry_ID 15706 _Software.ID 5 _Software.Name PINE _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'National Magnetic Resonance Facility at Madison' . . 15706 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15706 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15706 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15706 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15706 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 15706 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15706 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15706 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15706 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15706 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15706 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15706 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15706 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15706 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15706 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15706 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 15706 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15706 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15706 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15706 1 2 '3D HNCACB' . . . 15706 1 3 '3D CBCA(CO)NH' . . . 15706 1 4 '3D HNCO' . . . 15706 1 5 '3D HNCA' . . . 15706 1 6 '3D HN(CO)CA' . . . 15706 1 8 '3D HN(CA)CO' . . . 15706 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN C C 13 174.583 0.300 . 1 . . . . 2 GLN C . 15706 1 2 . 1 1 2 2 GLN CA C 13 54.959 0.300 . 1 . . . . 2 GLN CA . 15706 1 3 . 1 1 2 2 GLN CB C 13 32.467 0.300 . 1 . . . . 2 GLN CB . 15706 1 4 . 1 1 3 3 SER H H 1 8.583 0.020 . 1 . . . . 3 SER H . 15706 1 5 . 1 1 3 3 SER C C 13 172.059 0.300 . 1 . . . . 3 SER C . 15706 1 6 . 1 1 3 3 SER CA C 13 57.199 0.300 . 1 . . . . 3 SER CA . 15706 1 7 . 1 1 3 3 SER CB C 13 64.749 0.300 . 1 . . . . 3 SER CB . 15706 1 8 . 1 1 3 3 SER N N 15 123.016 0.300 . 1 . . . . 3 SER N . 15706 1 9 . 1 1 4 4 PHE H H 1 8.599 0.020 . 1 . . . . 4 PHE H . 15706 1 10 . 1 1 4 4 PHE C C 13 173.379 0.300 . 1 . . . . 4 PHE C . 15706 1 11 . 1 1 4 4 PHE CA C 13 53.984 0.300 . 1 . . . . 4 PHE CA . 15706 1 12 . 1 1 4 4 PHE CB C 13 39.231 0.300 . 1 . . . . 4 PHE CB . 15706 1 13 . 1 1 4 4 PHE N N 15 122.319 0.300 . 1 . . . . 4 PHE N . 15706 1 14 . 1 1 5 5 PRO C C 13 179.096 0.300 . 1 . . . . 5 PRO C . 15706 1 15 . 1 1 5 5 PRO CA C 13 63.230 0.300 . 1 . . . . 5 PRO CA . 15706 1 16 . 1 1 5 5 PRO CB C 13 32.626 0.300 . 1 . . . . 5 PRO CB . 15706 1 17 . 1 1 6 6 TYR H H 1 8.691 0.020 . 1 . . . . 6 TYR H . 15706 1 18 . 1 1 6 6 TYR C C 13 177.823 0.300 . 1 . . . . 6 TYR C . 15706 1 19 . 1 1 6 6 TYR CA C 13 61.249 0.300 . 1 . . . . 6 TYR CA . 15706 1 20 . 1 1 6 6 TYR CB C 13 37.501 0.300 . 1 . . . . 6 TYR CB . 15706 1 21 . 1 1 6 6 TYR N N 15 124.843 0.300 . 1 . . . . 6 TYR N . 15706 1 22 . 1 1 7 7 GLY H H 1 9.407 0.020 . 1 . . . . 7 GLY H . 15706 1 23 . 1 1 7 7 GLY C C 13 175.246 0.300 . 1 . . . . 7 GLY C . 15706 1 24 . 1 1 7 7 GLY CA C 13 46.688 0.300 . 1 . . . . 7 GLY CA . 15706 1 25 . 1 1 7 7 GLY N N 15 113.088 0.300 . 1 . . . . 7 GLY N . 15706 1 26 . 1 1 8 8 ILE H H 1 7.456 0.020 . 1 . . . . 8 ILE H . 15706 1 27 . 1 1 8 8 ILE C C 13 178.145 0.300 . 1 . . . . 8 ILE C . 15706 1 28 . 1 1 8 8 ILE CA C 13 63.891 0.300 . 1 . . . . 8 ILE CA . 15706 1 29 . 1 1 8 8 ILE CB C 13 36.850 0.300 . 1 . . . . 8 ILE CB . 15706 1 30 . 1 1 8 8 ILE N N 15 116.876 0.300 . 1 . . . . 8 ILE N . 15706 1 31 . 1 1 9 9 SER H H 1 7.255 0.020 . 1 . . . . 9 SER H . 15706 1 32 . 1 1 9 9 SER C C 13 178.647 0.300 . 1 . . . . 9 SER C . 15706 1 33 . 1 1 9 9 SER CA C 13 61.161 0.300 . 1 . . . . 9 SER CA . 15706 1 34 . 1 1 9 9 SER CB C 13 62.728 0.300 . 1 . . . . 9 SER CB . 15706 1 35 . 1 1 9 9 SER N N 15 114.161 0.300 . 1 . . . . 9 SER N . 15706 1 36 . 1 1 10 10 GLN H H 1 8.586 0.020 . 1 . . . . 10 GLN H . 15706 1 37 . 1 1 10 10 GLN C C 13 178.636 0.300 . 1 . . . . 10 GLN C . 15706 1 38 . 1 1 10 10 GLN CA C 13 59.703 0.300 . 1 . . . . 10 GLN CA . 15706 1 39 . 1 1 10 10 GLN CB C 13 29.559 0.300 . 1 . . . . 10 GLN CB . 15706 1 40 . 1 1 10 10 GLN N N 15 126.496 0.300 . 1 . . . . 10 GLN N . 15706 1 41 . 1 1 11 11 ILE H H 1 7.179 0.020 . 1 . . . . 11 ILE H . 15706 1 42 . 1 1 11 11 ILE C C 13 173.906 0.300 . 1 . . . . 11 ILE C . 15706 1 43 . 1 1 11 11 ILE CA C 13 61.665 0.300 . 1 . . . . 11 ILE CA . 15706 1 44 . 1 1 11 11 ILE CB C 13 38.171 0.300 . 1 . . . . 11 ILE CB . 15706 1 45 . 1 1 11 11 ILE N N 15 106.881 0.300 . 1 . . . . 11 ILE N . 15706 1 46 . 1 1 12 12 LYS H H 1 7.870 0.020 . 1 . . . . 12 LYS H . 15706 1 47 . 1 1 12 12 LYS C C 13 174.652 0.300 . 1 . . . . 12 LYS C . 15706 1 48 . 1 1 12 12 LYS CA C 13 57.788 0.300 . 1 . . . . 12 LYS CA . 15706 1 49 . 1 1 12 12 LYS CB C 13 29.001 0.300 . 1 . . . . 12 LYS CB . 15706 1 50 . 1 1 12 12 LYS N N 15 113.423 0.300 . 1 . . . . 12 LYS N . 15706 1 51 . 1 1 13 13 ALA H H 1 7.488 0.020 . 1 . . . . 13 ALA H . 15706 1 52 . 1 1 13 13 ALA C C 13 175.924 0.300 . 1 . . . . 13 ALA C . 15706 1 53 . 1 1 13 13 ALA CA C 13 55.828 0.300 . 1 . . . . 13 ALA CA . 15706 1 54 . 1 1 13 13 ALA CB C 13 17.782 0.300 . 1 . . . . 13 ALA CB . 15706 1 55 . 1 1 13 13 ALA N N 15 118.041 0.300 . 1 . . . . 13 ALA N . 15706 1 56 . 1 1 14 14 PRO C C 13 177.084 0.300 . 1 . . . . 14 PRO C . 15706 1 57 . 1 1 14 14 PRO CA C 13 65.942 0.300 . 1 . . . . 14 PRO CA . 15706 1 58 . 1 1 14 14 PRO CB C 13 30.478 0.300 . 1 . . . . 14 PRO CB . 15706 1 59 . 1 1 15 15 ALA H H 1 7.345 0.020 . 1 . . . . 15 ALA H . 15706 1 60 . 1 1 15 15 ALA C C 13 180.247 0.300 . 1 . . . . 15 ALA C . 15706 1 61 . 1 1 15 15 ALA CA C 13 54.706 0.300 . 1 . . . . 15 ALA CA . 15706 1 62 . 1 1 15 15 ALA CB C 13 17.966 0.300 . 1 . . . . 15 ALA CB . 15706 1 63 . 1 1 15 15 ALA N N 15 118.689 0.300 . 1 . . . . 15 ALA N . 15706 1 64 . 1 1 16 16 LEU H H 1 7.342 0.020 . 1 . . . . 16 LEU H . 15706 1 65 . 1 1 16 16 LEU C C 13 179.569 0.300 . 1 . . . . 16 LEU C . 15706 1 66 . 1 1 16 16 LEU CA C 13 56.227 0.300 . 1 . . . . 16 LEU CA . 15706 1 67 . 1 1 16 16 LEU CB C 13 39.648 0.300 . 1 . . . . 16 LEU CB . 15706 1 68 . 1 1 16 16 LEU N N 15 120.063 0.300 . 1 . . . . 16 LEU N . 15706 1 69 . 1 1 17 17 HIS H H 1 7.750 0.020 . 1 . . . . 17 HIS H . 15706 1 70 . 1 1 17 17 HIS C C 13 181.044 0.300 . 1 . . . . 17 HIS C . 15706 1 71 . 1 1 17 17 HIS CA C 13 57.709 0.300 . 1 . . . . 17 HIS CA . 15706 1 72 . 1 1 17 17 HIS CB C 13 31.250 0.300 . 1 . . . . 17 HIS CB . 15706 1 73 . 1 1 17 17 HIS N N 15 120.827 0.300 . 1 . . . . 17 HIS N . 15706 1 74 . 1 1 18 18 SER H H 1 8.555 0.020 . 1 . . . . 18 SER H . 15706 1 75 . 1 1 18 18 SER C C 13 175.398 0.300 . 1 . . . . 18 SER C . 15706 1 76 . 1 1 18 18 SER CA C 13 61.374 0.300 . 1 . . . . 18 SER CA . 15706 1 77 . 1 1 18 18 SER CB C 13 62.958 0.300 . 1 . . . . 18 SER CB . 15706 1 78 . 1 1 18 18 SER N N 15 114.639 0.300 . 1 . . . . 18 SER N . 15706 1 79 . 1 1 19 19 GLN H H 1 7.287 0.020 . 1 . . . . 19 GLN H . 15706 1 80 . 1 1 19 19 GLN C C 13 175.180 0.300 . 1 . . . . 19 GLN C . 15706 1 81 . 1 1 19 19 GLN CA C 13 55.837 0.300 . 1 . . . . 19 GLN CA . 15706 1 82 . 1 1 19 19 GLN CB C 13 30.107 0.300 . 1 . . . . 19 GLN CB . 15706 1 83 . 1 1 19 19 GLN N N 15 119.172 0.300 . 1 . . . . 19 GLN N . 15706 1 84 . 1 1 20 20 GLY H H 1 7.705 0.020 . 1 . . . . 20 GLY H . 15706 1 85 . 1 1 20 20 GLY C C 13 173.533 0.300 . 1 . . . . 20 GLY C . 15706 1 86 . 1 1 20 20 GLY CA C 13 44.455 0.300 . 1 . . . . 20 GLY CA . 15706 1 87 . 1 1 20 20 GLY N N 15 104.788 0.300 . 1 . . . . 20 GLY N . 15706 1 88 . 1 1 21 21 TYR H H 1 7.838 0.020 . 1 . . . . 21 TYR H . 15706 1 89 . 1 1 21 21 TYR C C 13 174.279 0.300 . 1 . . . . 21 TYR C . 15706 1 90 . 1 1 21 21 TYR CA C 13 57.514 0.300 . 1 . . . . 21 TYR CA . 15706 1 91 . 1 1 21 21 TYR CB C 13 38.094 0.300 . 1 . . . . 21 TYR CB . 15706 1 92 . 1 1 21 21 TYR N N 15 122.021 0.300 . 1 . . . . 21 TYR N . 15706 1 93 . 1 1 22 22 THR H H 1 9.052 0.020 . 1 . . . . 22 THR H . 15706 1 94 . 1 1 22 22 THR C C 13 175.527 0.300 . 1 . . . . 22 THR C . 15706 1 95 . 1 1 22 22 THR CA C 13 60.369 0.300 . 1 . . . . 22 THR CA . 15706 1 96 . 1 1 22 22 THR CB C 13 70.033 0.300 . 1 . . . . 22 THR CB . 15706 1 97 . 1 1 22 22 THR N N 15 108.574 0.300 . 1 . . . . 22 THR N . 15706 1 98 . 1 1 23 23 GLY H H 1 8.168 0.020 . 1 . . . . 23 GLY H . 15706 1 99 . 1 1 23 23 GLY C C 13 171.923 0.300 . 1 . . . . 23 GLY C . 15706 1 100 . 1 1 23 23 GLY CA C 13 44.958 0.300 . 1 . . . . 23 GLY CA . 15706 1 101 . 1 1 23 23 GLY N N 15 110.202 0.300 . 1 . . . . 23 GLY N . 15706 1 102 . 1 1 24 24 SER H H 1 7.913 0.020 . 1 . . . . 24 SER H . 15706 1 103 . 1 1 24 24 SER C C 13 174.449 0.300 . 1 . . . . 24 SER C . 15706 1 104 . 1 1 24 24 SER CA C 13 60.338 0.300 . 1 . . . . 24 SER CA . 15706 1 105 . 1 1 24 24 SER CB C 13 62.806 0.300 . 1 . . . . 24 SER CB . 15706 1 106 . 1 1 24 24 SER N N 15 114.619 0.300 . 1 . . . . 24 SER N . 15706 1 107 . 1 1 25 25 ASN H H 1 9.023 0.020 . 1 . . . . 25 ASN H . 15706 1 108 . 1 1 25 25 ASN C C 13 173.968 0.300 . 1 . . . . 25 ASN C . 15706 1 109 . 1 1 25 25 ASN CA C 13 54.888 0.300 . 1 . . . . 25 ASN CA . 15706 1 110 . 1 1 25 25 ASN CB C 13 37.627 0.300 . 1 . . . . 25 ASN CB . 15706 1 111 . 1 1 25 25 ASN N N 15 116.891 0.300 . 1 . . . . 25 ASN N . 15706 1 112 . 1 1 26 26 VAL H H 1 7.777 0.020 . 1 . . . . 26 VAL H . 15706 1 113 . 1 1 26 26 VAL C C 13 175.163 0.300 . 1 . . . . 26 VAL C . 15706 1 114 . 1 1 26 26 VAL CA C 13 62.931 0.300 . 1 . . . . 26 VAL CA . 15706 1 115 . 1 1 26 26 VAL CB C 13 32.307 0.300 . 1 . . . . 26 VAL CB . 15706 1 116 . 1 1 26 26 VAL N N 15 121.484 0.300 . 1 . . . . 26 VAL N . 15706 1 117 . 1 1 27 27 LYS H H 1 10.092 0.020 . 1 . . . . 27 LYS H . 15706 1 118 . 1 1 27 27 LYS C C 13 176.004 0.300 . 1 . . . . 27 LYS C . 15706 1 119 . 1 1 27 27 LYS CA C 13 56.887 0.300 . 1 . . . . 27 LYS CA . 15706 1 120 . 1 1 27 27 LYS CB C 13 33.742 0.300 . 1 . . . . 27 LYS CB . 15706 1 121 . 1 1 27 27 LYS N N 15 129.298 0.300 . 1 . . . . 27 LYS N . 15706 1 122 . 1 1 28 28 VAL H H 1 9.577 0.020 . 1 . . . . 28 VAL H . 15706 1 123 . 1 1 28 28 VAL C C 13 173.962 0.300 . 1 . . . . 28 VAL C . 15706 1 124 . 1 1 28 28 VAL CA C 13 60.454 0.300 . 1 . . . . 28 VAL CA . 15706 1 125 . 1 1 28 28 VAL CB C 13 33.884 0.300 . 1 . . . . 28 VAL CB . 15706 1 126 . 1 1 28 28 VAL N N 15 126.496 0.300 . 1 . . . . 28 VAL N . 15706 1 127 . 1 1 29 29 ALA H H 1 9.026 0.020 . 1 . . . . 29 ALA H . 15706 1 128 . 1 1 29 29 ALA C C 13 175.568 0.300 . 1 . . . . 29 ALA C . 15706 1 129 . 1 1 29 29 ALA CA C 13 50.362 0.300 . 1 . . . . 29 ALA CA . 15706 1 130 . 1 1 29 29 ALA CB C 13 19.987 0.300 . 1 . . . . 29 ALA CB . 15706 1 131 . 1 1 29 29 ALA N N 15 128.124 0.300 . 1 . . . . 29 ALA N . 15706 1 132 . 1 1 30 30 VAL H H 1 8.982 0.020 . 1 . . . . 30 VAL H . 15706 1 133 . 1 1 30 30 VAL C C 13 175.025 0.300 . 1 . . . . 30 VAL C . 15706 1 134 . 1 1 30 30 VAL CA C 13 62.665 0.300 . 1 . . . . 30 VAL CA . 15706 1 135 . 1 1 30 30 VAL CB C 13 31.100 0.300 . 1 . . . . 30 VAL CB . 15706 1 136 . 1 1 30 30 VAL N N 15 126.384 0.300 . 1 . . . . 30 VAL N . 15706 1 137 . 1 1 31 31 ILE H H 1 8.214 0.020 . 1 . . . . 31 ILE H . 15706 1 138 . 1 1 31 31 ILE C C 13 174.517 0.300 . 1 . . . . 31 ILE C . 15706 1 139 . 1 1 31 31 ILE CA C 13 62.148 0.300 . 1 . . . . 31 ILE CA . 15706 1 140 . 1 1 31 31 ILE CB C 13 35.343 0.300 . 1 . . . . 31 ILE CB . 15706 1 141 . 1 1 31 31 ILE N N 15 130.176 0.300 . 1 . . . . 31 ILE N . 15706 1 142 . 1 1 32 32 ASP H H 1 8.889 0.020 . 1 . . . . 32 ASP H . 15706 1 143 . 1 1 32 32 ASP C C 13 176.518 0.300 . 1 . . . . 32 ASP C . 15706 1 144 . 1 1 32 32 ASP CA C 13 55.295 0.300 . 1 . . . . 32 ASP CA . 15706 1 145 . 1 1 32 32 ASP CB C 13 46.094 0.300 . 1 . . . . 32 ASP CB . 15706 1 146 . 1 1 32 32 ASP N N 15 131.687 0.300 . 1 . . . . 32 ASP N . 15706 1 147 . 1 1 33 33 SER C C 13 173.309 0.300 . 1 . . . . 33 SER C . 15706 1 148 . 1 1 33 33 SER CA C 13 59.919 0.300 . 1 . . . . 33 SER CA . 15706 1 149 . 1 1 33 33 SER CB C 13 64.350 0.300 . 1 . . . . 33 SER CB . 15706 1 150 . 1 1 34 34 GLY H H 1 7.483 0.020 . 1 . . . . 34 GLY H . 15706 1 151 . 1 1 34 34 GLY C C 13 171.669 0.300 . 1 . . . . 34 GLY C . 15706 1 152 . 1 1 34 34 GLY CA C 13 43.892 0.300 . 1 . . . . 34 GLY CA . 15706 1 153 . 1 1 34 34 GLY N N 15 109.889 0.300 . 1 . . . . 34 GLY N . 15706 1 154 . 1 1 35 35 ILE H H 1 7.235 0.020 . 1 . . . . 35 ILE H . 15706 1 155 . 1 1 35 35 ILE C C 13 174.821 0.300 . 1 . . . . 35 ILE C . 15706 1 156 . 1 1 35 35 ILE CA C 13 60.633 0.300 . 1 . . . . 35 ILE CA . 15706 1 157 . 1 1 35 35 ILE N N 15 110.778 0.300 . 1 . . . . 35 ILE N . 15706 1 158 . 1 1 36 36 ASP H H 1 8.284 0.020 . 1 . . . . 36 ASP H . 15706 1 159 . 1 1 36 36 ASP C C 13 176.091 0.300 . 1 . . . . 36 ASP C . 15706 1 160 . 1 1 36 36 ASP CA C 13 53.660 0.300 . 1 . . . . 36 ASP CA . 15706 1 161 . 1 1 36 36 ASP CB C 13 40.210 0.300 . 1 . . . . 36 ASP CB . 15706 1 162 . 1 1 36 36 ASP N N 15 123.205 0.300 . 1 . . . . 36 ASP N . 15706 1 163 . 1 1 37 37 SER H H 1 7.690 0.020 . 1 . . . . 37 SER H . 15706 1 164 . 1 1 37 37 SER C C 13 174.771 0.300 . 1 . . . . 37 SER C . 15706 1 165 . 1 1 37 37 SER CA C 13 59.109 0.300 . 1 . . . . 37 SER CA . 15706 1 166 . 1 1 37 37 SER CB C 13 63.009 0.300 . 1 . . . . 37 SER CB . 15706 1 167 . 1 1 37 37 SER N N 15 123.185 0.300 . 1 . . . . 37 SER N . 15706 1 168 . 1 1 38 38 SER H H 1 8.511 0.020 . 1 . . . . 38 SER H . 15706 1 169 . 1 1 38 38 SER C C 13 173.975 0.300 . 1 . . . . 38 SER C . 15706 1 170 . 1 1 38 38 SER CA C 13 58.832 0.300 . 1 . . . . 38 SER CA . 15706 1 171 . 1 1 38 38 SER CB C 13 64.120 0.300 . 1 . . . . 38 SER CB . 15706 1 172 . 1 1 38 38 SER N N 15 119.105 0.300 . 1 . . . . 38 SER N . 15706 1 173 . 1 1 39 39 HIS H H 1 7.483 0.020 . 1 . . . . 39 HIS H . 15706 1 174 . 1 1 39 39 HIS C C 13 175.746 0.300 . 1 . . . . 39 HIS C . 15706 1 175 . 1 1 39 39 HIS CA C 13 56.846 0.300 . 1 . . . . 39 HIS CA . 15706 1 176 . 1 1 39 39 HIS CB C 13 32.223 0.300 . 1 . . . . 39 HIS CB . 15706 1 177 . 1 1 39 39 HIS N N 15 127.988 0.300 . 1 . . . . 39 HIS N . 15706 1 178 . 1 1 40 40 PRO C C 13 176.766 0.300 . 1 . . . . 40 PRO C . 15706 1 179 . 1 1 40 40 PRO CA C 13 64.138 0.300 . 1 . . . . 40 PRO CA . 15706 1 180 . 1 1 40 40 PRO CB C 13 31.954 0.300 . 1 . . . . 40 PRO CB . 15706 1 181 . 1 1 41 41 ASP H H 1 11.163 0.020 . 1 . . . . 41 ASP H . 15706 1 182 . 1 1 41 41 ASP C C 13 175.329 0.300 . 1 . . . . 41 ASP C . 15706 1 183 . 1 1 41 41 ASP CA C 13 51.890 0.300 . 1 . . . . 41 ASP CA . 15706 1 184 . 1 1 41 41 ASP CB C 13 43.611 0.300 . 1 . . . . 41 ASP CB . 15706 1 185 . 1 1 41 41 ASP N N 15 123.821 0.300 . 1 . . . . 41 ASP N . 15706 1 186 . 1 1 42 42 LEU H H 1 7.662 0.020 . 1 . . . . 42 LEU H . 15706 1 187 . 1 1 42 42 LEU C C 13 175.873 0.300 . 1 . . . . 42 LEU C . 15706 1 188 . 1 1 42 42 LEU CA C 13 53.469 0.300 . 1 . . . . 42 LEU CA . 15706 1 189 . 1 1 42 42 LEU CB C 13 47.885 0.300 . 1 . . . . 42 LEU CB . 15706 1 190 . 1 1 42 42 LEU N N 15 116.006 0.300 . 1 . . . . 42 LEU N . 15706 1 191 . 1 1 43 43 ASN H H 1 9.331 0.020 . 1 . . . . 43 ASN H . 15706 1 192 . 1 1 43 43 ASN C C 13 174.096 0.300 . 1 . . . . 43 ASN C . 15706 1 193 . 1 1 43 43 ASN CA C 13 51.383 0.300 . 1 . . . . 43 ASN CA . 15706 1 194 . 1 1 43 43 ASN CB C 13 39.881 0.300 . 1 . . . . 43 ASN CB . 15706 1 195 . 1 1 43 43 ASN N N 15 119.915 0.300 . 1 . . . . 43 ASN N . 15706 1 196 . 1 1 44 44 VAL H H 1 8.807 0.020 . 1 . . . . 44 VAL H . 15706 1 197 . 1 1 44 44 VAL C C 13 175.992 0.300 . 1 . . . . 44 VAL C . 15706 1 198 . 1 1 44 44 VAL CA C 13 62.690 0.300 . 1 . . . . 44 VAL CA . 15706 1 199 . 1 1 44 44 VAL CB C 13 32.110 0.300 . 1 . . . . 44 VAL CB . 15706 1 200 . 1 1 44 44 VAL N N 15 125.115 0.300 . 1 . . . . 44 VAL N . 15706 1 201 . 1 1 45 45 ARG H H 1 8.758 0.020 . 1 . . . . 45 ARG H . 15706 1 202 . 1 1 45 45 ARG C C 13 175.997 0.300 . 1 . . . . 45 ARG C . 15706 1 203 . 1 1 45 45 ARG CA C 13 55.519 0.300 . 1 . . . . 45 ARG CA . 15706 1 204 . 1 1 45 45 ARG CB C 13 30.109 0.300 . 1 . . . . 45 ARG CB . 15706 1 205 . 1 1 45 45 ARG N N 15 125.302 0.300 . 1 . . . . 45 ARG N . 15706 1 206 . 1 1 46 46 GLY H H 1 7.170 0.020 . 1 . . . . 46 GLY H . 15706 1 207 . 1 1 46 46 GLY C C 13 172.042 0.300 . 1 . . . . 46 GLY C . 15706 1 208 . 1 1 46 46 GLY CA C 13 45.770 0.300 . 1 . . . . 46 GLY CA . 15706 1 209 . 1 1 46 46 GLY N N 15 105.109 0.300 . 1 . . . . 46 GLY N . 15706 1 210 . 1 1 47 47 GLY H H 1 8.696 0.020 . 1 . . . . 47 GLY H . 15706 1 211 . 1 1 47 47 GLY C C 13 170.685 0.300 . 1 . . . . 47 GLY C . 15706 1 212 . 1 1 47 47 GLY CA C 13 45.939 0.300 . 1 . . . . 47 GLY CA . 15706 1 213 . 1 1 47 47 GLY N N 15 106.904 0.300 . 1 . . . . 47 GLY N . 15706 1 214 . 1 1 48 48 ALA H H 1 8.116 0.020 . 1 . . . . 48 ALA H . 15706 1 215 . 1 1 48 48 ALA C C 13 174.873 0.300 . 1 . . . . 48 ALA C . 15706 1 216 . 1 1 48 48 ALA CA C 13 51.692 0.300 . 1 . . . . 48 ALA CA . 15706 1 217 . 1 1 48 48 ALA CB C 13 21.616 0.300 . 1 . . . . 48 ALA CB . 15706 1 218 . 1 1 48 48 ALA N N 15 118.322 0.300 . 1 . . . . 48 ALA N . 15706 1 219 . 1 1 49 49 SER H H 1 8.428 0.020 . 1 . . . . 49 SER H . 15706 1 220 . 1 1 49 49 SER C C 13 173.724 0.300 . 1 . . . . 49 SER C . 15706 1 221 . 1 1 49 49 SER CA C 13 54.391 0.300 . 1 . . . . 49 SER CA . 15706 1 222 . 1 1 49 49 SER CB C 13 64.593 0.300 . 1 . . . . 49 SER CB . 15706 1 223 . 1 1 49 49 SER N N 15 112.640 0.300 . 1 . . . . 49 SER N . 15706 1 224 . 1 1 50 50 PHE H H 1 8.915 0.020 . 1 . . . . 50 PHE H . 15706 1 225 . 1 1 50 50 PHE C C 13 172.923 0.300 . 1 . . . . 50 PHE C . 15706 1 226 . 1 1 50 50 PHE CA C 13 57.729 0.300 . 1 . . . . 50 PHE CA . 15706 1 227 . 1 1 50 50 PHE CB C 13 40.175 0.300 . 1 . . . . 50 PHE CB . 15706 1 228 . 1 1 50 50 PHE N N 15 126.003 0.300 . 1 . . . . 50 PHE N . 15706 1 229 . 1 1 51 51 VAL H H 1 7.228 0.020 . 1 . . . . 51 VAL H . 15706 1 230 . 1 1 51 51 VAL C C 13 175.557 0.300 . 1 . . . . 51 VAL C . 15706 1 231 . 1 1 51 51 VAL CA C 13 58.809 0.300 . 1 . . . . 51 VAL CA . 15706 1 232 . 1 1 51 51 VAL CB C 13 31.525 0.300 . 1 . . . . 51 VAL CB . 15706 1 233 . 1 1 51 51 VAL N N 15 122.402 0.300 . 1 . . . . 51 VAL N . 15706 1 234 . 1 1 52 52 PRO C C 13 177.094 0.300 . 1 . . . . 52 PRO C . 15706 1 235 . 1 1 52 52 PRO CA C 13 65.303 0.300 . 1 . . . . 52 PRO CA . 15706 1 236 . 1 1 52 52 PRO CB C 13 32.032 0.300 . 1 . . . . 52 PRO CB . 15706 1 237 . 1 1 53 53 SER H H 1 7.323 0.020 . 1 . . . . 53 SER H . 15706 1 238 . 1 1 53 53 SER C C 13 174.161 0.300 . 1 . . . . 53 SER C . 15706 1 239 . 1 1 53 53 SER CA C 13 58.310 0.300 . 1 . . . . 53 SER CA . 15706 1 240 . 1 1 53 53 SER CB C 13 63.505 0.300 . 1 . . . . 53 SER CB . 15706 1 241 . 1 1 53 53 SER N N 15 106.105 0.300 . 1 . . . . 53 SER N . 15706 1 242 . 1 1 54 54 GLU H H 1 7.273 0.020 . 1 . . . . 54 GLU H . 15706 1 243 . 1 1 54 54 GLU C C 13 175.229 0.300 . 1 . . . . 54 GLU C . 15706 1 244 . 1 1 54 54 GLU CA C 13 54.848 0.300 . 1 . . . . 54 GLU CA . 15706 1 245 . 1 1 54 54 GLU CB C 13 30.478 0.300 . 1 . . . . 54 GLU CB . 15706 1 246 . 1 1 54 54 GLU N N 15 122.963 0.300 . 1 . . . . 54 GLU N . 15706 1 247 . 1 1 55 55 THR H H 1 8.120 0.020 . 1 . . . . 55 THR H . 15706 1 248 . 1 1 55 55 THR C C 13 173.396 0.300 . 1 . . . . 55 THR C . 15706 1 249 . 1 1 55 55 THR CA C 13 63.206 0.300 . 1 . . . . 55 THR CA . 15706 1 250 . 1 1 55 55 THR CB C 13 69.256 0.300 . 1 . . . . 55 THR CB . 15706 1 251 . 1 1 55 55 THR N N 15 111.987 0.300 . 1 . . . . 55 THR N . 15706 1 252 . 1 1 56 56 ASN H H 1 8.002 0.020 . 1 . . . . 56 ASN H . 15706 1 253 . 1 1 56 56 ASN CA C 13 49.297 0.300 . 1 . . . . 56 ASN CA . 15706 1 254 . 1 1 56 56 ASN CB C 13 39.546 0.300 . 1 . . . . 56 ASN CB . 15706 1 255 . 1 1 56 56 ASN N N 15 121.363 0.300 . 1 . . . . 56 ASN N . 15706 1 256 . 1 1 57 57 PRO C C 13 173.228 0.300 . 1 . . . . 57 PRO C . 15706 1 257 . 1 1 57 57 PRO CA C 13 63.754 0.300 . 1 . . . . 57 PRO CA . 15706 1 258 . 1 1 57 57 PRO CB C 13 31.255 0.300 . 1 . . . . 57 PRO CB . 15706 1 259 . 1 1 58 58 TYR H H 1 7.343 0.020 . 1 . . . . 58 TYR H . 15706 1 260 . 1 1 58 58 TYR C C 13 175.127 0.300 . 1 . . . . 58 TYR C . 15706 1 261 . 1 1 58 58 TYR CA C 13 54.212 0.300 . 1 . . . . 58 TYR CA . 15706 1 262 . 1 1 58 58 TYR CB C 13 36.617 0.300 . 1 . . . . 58 TYR CB . 15706 1 263 . 1 1 58 58 TYR N N 15 116.635 0.300 . 1 . . . . 58 TYR N . 15706 1 264 . 1 1 59 59 GLN H H 1 6.979 0.020 . 1 . . . . 59 GLN H . 15706 1 265 . 1 1 59 59 GLN C C 13 173.516 0.300 . 1 . . . . 59 GLN C . 15706 1 266 . 1 1 59 59 GLN CA C 13 54.177 0.300 . 1 . . . . 59 GLN CA . 15706 1 267 . 1 1 59 59 GLN CB C 13 29.545 0.300 . 1 . . . . 59 GLN CB . 15706 1 268 . 1 1 59 59 GLN N N 15 120.226 0.300 . 1 . . . . 59 GLN N . 15706 1 269 . 1 1 60 60 ASP H H 1 8.873 0.020 . 1 . . . . 60 ASP H . 15706 1 270 . 1 1 60 60 ASP C C 13 176.668 0.300 . 1 . . . . 60 ASP C . 15706 1 271 . 1 1 60 60 ASP CA C 13 51.068 0.300 . 1 . . . . 60 ASP CA . 15706 1 272 . 1 1 60 60 ASP CB C 13 40.658 0.300 . 1 . . . . 60 ASP CB . 15706 1 273 . 1 1 60 60 ASP N N 15 126.090 0.300 . 1 . . . . 60 ASP N . 15706 1 274 . 1 1 61 61 GLY H H 1 8.524 0.020 . 1 . . . . 61 GLY H . 15706 1 275 . 1 1 61 61 GLY C C 13 174.551 0.300 . 1 . . . . 61 GLY C . 15706 1 276 . 1 1 61 61 GLY CA C 13 46.264 0.300 . 1 . . . . 61 GLY CA . 15706 1 277 . 1 1 61 61 GLY N N 15 111.649 0.300 . 1 . . . . 61 GLY N . 15706 1 278 . 1 1 62 62 SER H H 1 8.037 0.020 . 1 . . . . 62 SER H . 15706 1 279 . 1 1 62 62 SER C C 13 175.822 0.300 . 1 . . . . 62 SER C . 15706 1 280 . 1 1 62 62 SER CA C 13 58.592 0.300 . 1 . . . . 62 SER CA . 15706 1 281 . 1 1 62 62 SER CB C 13 64.049 0.300 . 1 . . . . 62 SER CB . 15706 1 282 . 1 1 62 62 SER N N 15 114.634 0.300 . 1 . . . . 62 SER N . 15706 1 283 . 1 1 63 63 SER H H 1 8.298 0.020 . 1 . . . . 63 SER H . 15706 1 284 . 1 1 63 63 SER C C 13 172.731 0.300 . 1 . . . . 63 SER C . 15706 1 285 . 1 1 63 63 SER CA C 13 62.247 0.300 . 1 . . . . 63 SER CA . 15706 1 286 . 1 1 63 63 SER N N 15 116.954 0.300 . 1 . . . . 63 SER N . 15706 1 287 . 1 1 64 64 HIS H H 1 8.250 0.020 . 1 . . . . 64 HIS H . 15706 1 288 . 1 1 64 64 HIS C C 13 175.294 0.300 . 1 . . . . 64 HIS C . 15706 1 289 . 1 1 64 64 HIS CA C 13 61.375 0.300 . 1 . . . . 64 HIS CA . 15706 1 290 . 1 1 64 64 HIS CB C 13 30.944 0.300 . 1 . . . . 64 HIS CB . 15706 1 291 . 1 1 64 64 HIS N N 15 123.054 0.300 . 1 . . . . 64 HIS N . 15706 1 292 . 1 1 65 65 GLY H H 1 9.294 0.020 . 1 . . . . 65 GLY H . 15706 1 293 . 1 1 65 65 GLY C C 13 176.144 0.300 . 1 . . . . 65 GLY C . 15706 1 294 . 1 1 65 65 GLY CA C 13 47.949 0.300 . 1 . . . . 65 GLY CA . 15706 1 295 . 1 1 65 65 GLY N N 15 110.319 0.300 . 1 . . . . 65 GLY N . 15706 1 296 . 1 1 66 66 THR H H 1 8.505 0.020 . 1 . . . . 66 THR H . 15706 1 297 . 1 1 66 66 THR C C 13 175.212 0.300 . 1 . . . . 66 THR C . 15706 1 298 . 1 1 66 66 THR CA C 13 68.043 0.300 . 1 . . . . 66 THR CA . 15706 1 299 . 1 1 66 66 THR CB C 13 68.439 0.300 . 1 . . . . 66 THR CB . 15706 1 300 . 1 1 66 66 THR N N 15 117.656 0.300 . 1 . . . . 66 THR N . 15706 1 301 . 1 1 67 67 HIS H H 1 7.623 0.020 . 1 . . . . 67 HIS H . 15706 1 302 . 1 1 67 67 HIS C C 13 179.315 0.300 . 1 . . . . 67 HIS C . 15706 1 303 . 1 1 67 67 HIS CA C 13 60.883 0.300 . 1 . . . . 67 HIS CA . 15706 1 304 . 1 1 67 67 HIS CB C 13 31.839 0.300 . 1 . . . . 67 HIS CB . 15706 1 305 . 1 1 67 67 HIS N N 15 127.642 0.300 . 1 . . . . 67 HIS N . 15706 1 306 . 1 1 68 68 VAL H H 1 7.908 0.020 . 1 . . . . 68 VAL H . 15706 1 307 . 1 1 68 68 VAL C C 13 178.416 0.300 . 1 . . . . 68 VAL C . 15706 1 308 . 1 1 68 68 VAL CA C 13 65.434 0.300 . 1 . . . . 68 VAL CA . 15706 1 309 . 1 1 68 68 VAL CB C 13 32.498 0.300 . 1 . . . . 68 VAL CB . 15706 1 310 . 1 1 68 68 VAL N N 15 122.044 0.300 . 1 . . . . 68 VAL N . 15706 1 311 . 1 1 69 69 ALA H H 1 8.455 0.020 . 1 . . . . 69 ALA H . 15706 1 312 . 1 1 69 69 ALA C C 13 179.589 0.300 . 1 . . . . 69 ALA C . 15706 1 313 . 1 1 69 69 ALA CA C 13 55.201 0.300 . 1 . . . . 69 ALA CA . 15706 1 314 . 1 1 69 69 ALA CB C 13 19.676 0.300 . 1 . . . . 69 ALA CB . 15706 1 315 . 1 1 69 69 ALA N N 15 118.352 0.300 . 1 . . . . 69 ALA N . 15706 1 316 . 1 1 70 70 GLY H H 1 7.653 0.020 . 1 . . . . 70 GLY H . 15706 1 317 . 1 1 70 70 GLY C C 13 178.263 0.300 . 1 . . . . 70 GLY C . 15706 1 318 . 1 1 70 70 GLY CA C 13 46.772 0.300 . 1 . . . . 70 GLY CA . 15706 1 319 . 1 1 70 70 GLY N N 15 104.367 0.300 . 1 . . . . 70 GLY N . 15706 1 320 . 1 1 71 71 THR H H 1 7.452 0.020 . 1 . . . . 71 THR H . 15706 1 321 . 1 1 71 71 THR C C 13 174.958 0.300 . 1 . . . . 71 THR C . 15706 1 322 . 1 1 71 71 THR CA C 13 66.585 0.300 . 1 . . . . 71 THR CA . 15706 1 323 . 1 1 71 71 THR CB C 13 67.679 0.300 . 1 . . . . 71 THR CB . 15706 1 324 . 1 1 71 71 THR N N 15 123.361 0.300 . 1 . . . . 71 THR N . 15706 1 325 . 1 1 72 72 ILE H H 1 7.151 0.020 . 1 . . . . 72 ILE H . 15706 1 326 . 1 1 72 72 ILE C C 13 177.518 0.300 . 1 . . . . 72 ILE C . 15706 1 327 . 1 1 72 72 ILE CA C 13 66.512 0.300 . 1 . . . . 72 ILE CA . 15706 1 328 . 1 1 72 72 ILE CB C 13 37.415 0.300 . 1 . . . . 72 ILE CB . 15706 1 329 . 1 1 72 72 ILE N N 15 117.543 0.300 . 1 . . . . 72 ILE N . 15706 1 330 . 1 1 73 73 ALA H H 1 8.395 0.020 . 1 . . . . 73 ALA H . 15706 1 331 . 1 1 73 73 ALA C C 13 174.845 0.300 . 1 . . . . 73 ALA C . 15706 1 332 . 1 1 73 73 ALA CA C 13 52.587 0.300 . 1 . . . . 73 ALA CA . 15706 1 333 . 1 1 73 73 ALA CB C 13 21.153 0.300 . 1 . . . . 73 ALA CB . 15706 1 334 . 1 1 73 73 ALA N N 15 115.924 0.300 . 1 . . . . 73 ALA N . 15706 1 335 . 1 1 74 74 ALA H H 1 8.019 0.020 . 1 . . . . 74 ALA H . 15706 1 336 . 1 1 74 74 ALA C C 13 178.908 0.300 . 1 . . . . 74 ALA C . 15706 1 337 . 1 1 74 74 ALA CA C 13 53.859 0.300 . 1 . . . . 74 ALA CA . 15706 1 338 . 1 1 74 74 ALA CB C 13 18.628 0.300 . 1 . . . . 74 ALA CB . 15706 1 339 . 1 1 74 74 ALA N N 15 120.653 0.300 . 1 . . . . 74 ALA N . 15706 1 340 . 1 1 75 75 LEU H H 1 8.009 0.020 . 1 . . . . 75 LEU H . 15706 1 341 . 1 1 75 75 LEU C C 13 178.114 0.300 . 1 . . . . 75 LEU C . 15706 1 342 . 1 1 75 75 LEU CA C 13 55.025 0.300 . 1 . . . . 75 LEU CA . 15706 1 343 . 1 1 75 75 LEU CB C 13 43.300 0.300 . 1 . . . . 75 LEU CB . 15706 1 344 . 1 1 75 75 LEU N N 15 119.672 0.300 . 1 . . . . 75 LEU N . 15706 1 345 . 1 1 76 76 ASN H H 1 8.939 0.020 . 1 . . . . 76 ASN H . 15706 1 346 . 1 1 76 76 ASN C C 13 172.664 0.300 . 1 . . . . 76 ASN C . 15706 1 347 . 1 1 76 76 ASN CA C 13 52.505 0.300 . 1 . . . . 76 ASN CA . 15706 1 348 . 1 1 76 76 ASN CB C 13 37.108 0.300 . 1 . . . . 76 ASN CB . 15706 1 349 . 1 1 76 76 ASN N N 15 121.305 0.300 . 1 . . . . 76 ASN N . 15706 1 350 . 1 1 77 77 ASN H H 1 9.176 0.020 . 1 . . . . 77 ASN H . 15706 1 351 . 1 1 77 77 ASN CA C 13 52.858 0.300 . 1 . . . . 77 ASN CA . 15706 1 352 . 1 1 77 77 ASN CB C 13 36.243 0.300 . 1 . . . . 77 ASN CB . 15706 1 353 . 1 1 77 77 ASN N N 15 130.944 0.300 . 1 . . . . 77 ASN N . 15706 1 354 . 1 1 78 78 SER C C 13 173.485 0.300 . 1 . . . . 78 SER C . 15706 1 355 . 1 1 78 78 SER CA C 13 57.664 0.300 . 1 . . . . 78 SER CA . 15706 1 356 . 1 1 78 78 SER CB C 13 63.583 0.300 . 1 . . . . 78 SER CB . 15706 1 357 . 1 1 79 79 ILE H H 1 7.290 0.020 . 1 . . . . 79 ILE H . 15706 1 358 . 1 1 79 79 ILE C C 13 177.908 0.300 . 1 . . . . 79 ILE C . 15706 1 359 . 1 1 79 79 ILE CA C 13 59.007 0.300 . 1 . . . . 79 ILE CA . 15706 1 360 . 1 1 79 79 ILE CB C 13 44.400 0.300 . 1 . . . . 79 ILE CB . 15706 1 361 . 1 1 79 79 ILE N N 15 110.883 0.300 . 1 . . . . 79 ILE N . 15706 1 362 . 1 1 80 80 GLY H H 1 9.065 0.020 . 1 . . . . 80 GLY H . 15706 1 363 . 1 1 80 80 GLY C C 13 174.534 0.300 . 1 . . . . 80 GLY C . 15706 1 364 . 1 1 80 80 GLY CA C 13 48.425 0.300 . 1 . . . . 80 GLY CA . 15706 1 365 . 1 1 80 80 GLY N N 15 114.253 0.300 . 1 . . . . 80 GLY N . 15706 1 366 . 1 1 81 81 VAL H H 1 8.245 0.020 . 1 . . . . 81 VAL H . 15706 1 367 . 1 1 81 81 VAL C C 13 173.228 0.300 . 1 . . . . 81 VAL C . 15706 1 368 . 1 1 81 81 VAL CA C 13 58.652 0.300 . 1 . . . . 81 VAL CA . 15706 1 369 . 1 1 81 81 VAL CB C 13 33.975 0.300 . 1 . . . . 81 VAL CB . 15706 1 370 . 1 1 81 81 VAL N N 15 117.747 0.300 . 1 . . . . 81 VAL N . 15706 1 371 . 1 1 82 82 LEU H H 1 6.377 0.020 . 1 . . . . 82 LEU H . 15706 1 372 . 1 1 82 82 LEU C C 13 175.449 0.300 . 1 . . . . 82 LEU C . 15706 1 373 . 1 1 82 82 LEU CA C 13 54.671 0.300 . 1 . . . . 82 LEU CA . 15706 1 374 . 1 1 82 82 LEU CB C 13 45.243 0.300 . 1 . . . . 82 LEU CB . 15706 1 375 . 1 1 82 82 LEU N N 15 121.641 0.300 . 1 . . . . 82 LEU N . 15706 1 376 . 1 1 83 83 GLY H H 1 9.048 0.020 . 1 . . . . 83 GLY H . 15706 1 377 . 1 1 83 83 GLY C C 13 171.237 0.300 . 1 . . . . 83 GLY C . 15706 1 378 . 1 1 83 83 GLY CA C 13 44.597 0.300 . 1 . . . . 83 GLY CA . 15706 1 379 . 1 1 83 83 GLY N N 15 115.969 0.300 . 1 . . . . 83 GLY N . 15706 1 380 . 1 1 84 84 VAL H H 1 8.182 0.020 . 1 . . . . 84 VAL H . 15706 1 381 . 1 1 84 84 VAL C C 13 176.028 0.300 . 1 . . . . 84 VAL C . 15706 1 382 . 1 1 84 84 VAL CA C 13 67.074 0.300 . 1 . . . . 84 VAL CA . 15706 1 383 . 1 1 84 84 VAL CB C 13 34.360 0.300 . 1 . . . . 84 VAL CB . 15706 1 384 . 1 1 84 84 VAL N N 15 116.521 0.300 . 1 . . . . 84 VAL N . 15706 1 385 . 1 1 85 85 ALA H H 1 9.300 0.020 . 1 . . . . 85 ALA H . 15706 1 386 . 1 1 85 85 ALA CA C 13 48.825 0.300 . 1 . . . . 85 ALA CA . 15706 1 387 . 1 1 85 85 ALA CB C 13 19.760 0.300 . 1 . . . . 85 ALA CB . 15706 1 388 . 1 1 85 85 ALA N N 15 120.827 0.300 . 1 . . . . 85 ALA N . 15706 1 389 . 1 1 86 86 PRO C C 13 177.898 0.300 . 1 . . . . 86 PRO C . 15706 1 390 . 1 1 86 86 PRO CA C 13 64.917 0.300 . 1 . . . . 86 PRO CA . 15706 1 391 . 1 1 86 86 PRO CB C 13 32.421 0.300 . 1 . . . . 86 PRO CB . 15706 1 392 . 1 1 87 87 SER H H 1 8.181 0.020 . 1 . . . . 87 SER H . 15706 1 393 . 1 1 87 87 SER C C 13 173.551 0.300 . 1 . . . . 87 SER C . 15706 1 394 . 1 1 87 87 SER CA C 13 57.003 0.300 . 1 . . . . 87 SER CA . 15706 1 395 . 1 1 87 87 SER CB C 13 63.039 0.300 . 1 . . . . 87 SER CB . 15706 1 396 . 1 1 87 87 SER N N 15 113.418 0.300 . 1 . . . . 87 SER N . 15706 1 397 . 1 1 88 88 ALA H H 1 8.029 0.020 . 1 . . . . 88 ALA H . 15706 1 398 . 1 1 88 88 ALA C C 13 177.568 0.300 . 1 . . . . 88 ALA C . 15706 1 399 . 1 1 88 88 ALA CA C 13 52.729 0.300 . 1 . . . . 88 ALA CA . 15706 1 400 . 1 1 88 88 ALA CB C 13 18.314 0.300 . 1 . . . . 88 ALA CB . 15706 1 401 . 1 1 88 88 ALA N N 15 124.249 0.300 . 1 . . . . 88 ALA N . 15706 1 402 . 1 1 89 89 SER H H 1 8.954 0.020 . 1 . . . . 89 SER H . 15706 1 403 . 1 1 89 89 SER C C 13 171.933 0.300 . 1 . . . . 89 SER C . 15706 1 404 . 1 1 89 89 SER CA C 13 57.815 0.300 . 1 . . . . 89 SER CA . 15706 1 405 . 1 1 89 89 SER CB C 13 64.360 0.300 . 1 . . . . 89 SER CB . 15706 1 406 . 1 1 89 89 SER N N 15 118.516 0.300 . 1 . . . . 89 SER N . 15706 1 407 . 1 1 90 90 LEU H H 1 8.335 0.020 . 1 . . . . 90 LEU H . 15706 1 408 . 1 1 90 90 LEU C C 13 175.720 0.300 . 1 . . . . 90 LEU C . 15706 1 409 . 1 1 90 90 LEU CA C 13 54.313 0.300 . 1 . . . . 90 LEU CA . 15706 1 410 . 1 1 90 90 LEU CB C 13 45.915 0.300 . 1 . . . . 90 LEU CB . 15706 1 411 . 1 1 90 90 LEU N N 15 126.631 0.300 . 1 . . . . 90 LEU N . 15706 1 412 . 1 1 91 91 TYR H H 1 8.762 0.020 . 1 . . . . 91 TYR H . 15706 1 413 . 1 1 91 91 TYR C C 13 174.635 0.300 . 1 . . . . 91 TYR C . 15706 1 414 . 1 1 91 91 TYR CA C 13 56.755 0.300 . 1 . . . . 91 TYR CA . 15706 1 415 . 1 1 91 91 TYR CB C 13 40.503 0.300 . 1 . . . . 91 TYR CB . 15706 1 416 . 1 1 91 91 TYR N N 15 119.444 0.300 . 1 . . . . 91 TYR N . 15706 1 417 . 1 1 92 92 ALA H H 1 8.885 0.020 . 1 . . . . 92 ALA H . 15706 1 418 . 1 1 92 92 ALA C C 13 173.167 0.300 . 1 . . . . 92 ALA C . 15706 1 419 . 1 1 92 92 ALA CA C 13 51.139 0.300 . 1 . . . . 92 ALA CA . 15706 1 420 . 1 1 92 92 ALA CB C 13 20.453 0.300 . 1 . . . . 92 ALA CB . 15706 1 421 . 1 1 92 92 ALA N N 15 127.351 0.300 . 1 . . . . 92 ALA N . 15706 1 422 . 1 1 93 93 VAL H H 1 7.757 0.020 . 1 . . . . 93 VAL H . 15706 1 423 . 1 1 93 93 VAL C C 13 174.786 0.300 . 1 . . . . 93 VAL C . 15706 1 424 . 1 1 93 93 VAL CA C 13 60.641 0.300 . 1 . . . . 93 VAL CA . 15706 1 425 . 1 1 93 93 VAL CB C 13 31.022 0.300 . 1 . . . . 93 VAL CB . 15706 1 426 . 1 1 93 93 VAL N N 15 125.564 0.300 . 1 . . . . 93 VAL N . 15706 1 427 . 1 1 94 94 LYS H H 1 8.725 0.020 . 1 . . . . 94 LYS H . 15706 1 428 . 1 1 94 94 LYS C C 13 174.958 0.300 . 1 . . . . 94 LYS C . 15706 1 429 . 1 1 94 94 LYS CA C 13 56.226 0.300 . 1 . . . . 94 LYS CA . 15706 1 430 . 1 1 94 94 LYS CB C 13 34.198 0.300 . 1 . . . . 94 LYS CB . 15706 1 431 . 1 1 94 94 LYS N N 15 129.463 0.300 . 1 . . . . 94 LYS N . 15706 1 432 . 1 1 95 95 VAL H H 1 9.242 0.020 . 1 . . . . 95 VAL H . 15706 1 433 . 1 1 95 95 VAL C C 13 171.143 0.300 . 1 . . . . 95 VAL C . 15706 1 434 . 1 1 95 95 VAL CA C 13 60.227 0.300 . 1 . . . . 95 VAL CA . 15706 1 435 . 1 1 95 95 VAL CB C 13 33.037 0.300 . 1 . . . . 95 VAL CB . 15706 1 436 . 1 1 95 95 VAL N N 15 119.452 0.300 . 1 . . . . 95 VAL N . 15706 1 437 . 1 1 96 96 LEU H H 1 6.886 0.020 . 1 . . . . 96 LEU H . 15706 1 438 . 1 1 96 96 LEU C C 13 175.918 0.300 . 1 . . . . 96 LEU C . 15706 1 439 . 1 1 96 96 LEU CA C 13 51.740 0.300 . 1 . . . . 96 LEU CA . 15706 1 440 . 1 1 96 96 LEU CB C 13 44.777 0.300 . 1 . . . . 96 LEU CB . 15706 1 441 . 1 1 96 96 LEU N N 15 116.678 0.300 . 1 . . . . 96 LEU N . 15706 1 442 . 1 1 97 97 ASP H H 1 8.982 0.020 . 1 . . . . 97 ASP H . 15706 1 443 . 1 1 97 97 ASP C C 13 178.840 0.300 . 1 . . . . 97 ASP C . 15706 1 444 . 1 1 97 97 ASP CA C 13 52.305 0.300 . 1 . . . . 97 ASP CA . 15706 1 445 . 1 1 97 97 ASP CB C 13 42.368 0.300 . 1 . . . . 97 ASP CB . 15706 1 446 . 1 1 97 97 ASP N N 15 120.039 0.300 . 1 . . . . 97 ASP N . 15706 1 447 . 1 1 98 98 SER H H 1 9.608 0.020 . 1 . . . . 98 SER H . 15706 1 448 . 1 1 98 98 SER C C 13 174.482 0.300 . 1 . . . . 98 SER C . 15706 1 449 . 1 1 98 98 SER CA C 13 62.442 0.300 . 1 . . . . 98 SER CA . 15706 1 450 . 1 1 98 98 SER CB C 13 63.306 0.300 . 1 . . . . 98 SER CB . 15706 1 451 . 1 1 98 98 SER N N 15 116.157 0.300 . 1 . . . . 98 SER N . 15706 1 452 . 1 1 99 99 THR H H 1 8.692 0.020 . 1 . . . . 99 THR H . 15706 1 453 . 1 1 99 99 THR C C 13 176.093 0.300 . 1 . . . . 99 THR C . 15706 1 454 . 1 1 99 99 THR CA C 13 61.736 0.300 . 1 . . . . 99 THR CA . 15706 1 455 . 1 1 99 99 THR CB C 13 70.344 0.300 . 1 . . . . 99 THR CB . 15706 1 456 . 1 1 99 99 THR N N 15 111.823 0.300 . 1 . . . . 99 THR N . 15706 1 457 . 1 1 100 100 GLY H H 1 8.788 0.020 . 1 . . . . 100 GLY H . 15706 1 458 . 1 1 100 100 GLY C C 13 173.499 0.300 . 1 . . . . 100 GLY C . 15706 1 459 . 1 1 100 100 GLY CA C 13 45.593 0.300 . 1 . . . . 100 GLY CA . 15706 1 460 . 1 1 100 100 GLY N N 15 111.528 0.300 . 1 . . . . 100 GLY N . 15706 1 461 . 1 1 101 101 SER H H 1 7.670 0.020 . 1 . . . . 101 SER H . 15706 1 462 . 1 1 101 101 SER C C 13 172.584 0.300 . 1 . . . . 101 SER C . 15706 1 463 . 1 1 101 101 SER CA C 13 57.144 0.300 . 1 . . . . 101 SER CA . 15706 1 464 . 1 1 101 101 SER CB C 13 64.904 0.300 . 1 . . . . 101 SER CB . 15706 1 465 . 1 1 101 101 SER N N 15 115.649 0.300 . 1 . . . . 101 SER N . 15706 1 466 . 1 1 102 102 GLY H H 1 8.203 0.020 . 1 . . . . 102 GLY H . 15706 1 467 . 1 1 102 102 GLY C C 13 172.178 0.300 . 1 . . . . 102 GLY C . 15706 1 468 . 1 1 102 102 GLY CA C 13 45.770 0.300 . 1 . . . . 102 GLY CA . 15706 1 469 . 1 1 102 102 GLY N N 15 109.564 0.300 . 1 . . . . 102 GLY N . 15706 1 470 . 1 1 104 104 TYR C C 13 178.139 0.300 . 1 . . . . 104 TYR C . 15706 1 471 . 1 1 104 104 TYR CA C 13 60.502 0.300 . 1 . . . . 104 TYR CA . 15706 1 472 . 1 1 104 104 TYR CB C 13 36.072 0.300 . 1 . . . . 104 TYR CB . 15706 1 473 . 1 1 105 105 SER H H 1 8.568 0.020 . 1 . . . . 105 SER H . 15706 1 474 . 1 1 105 105 SER C C 13 176.148 0.300 . 1 . . . . 105 SER C . 15706 1 475 . 1 1 105 105 SER CA C 13 61.695 0.300 . 1 . . . . 105 SER CA . 15706 1 476 . 1 1 105 105 SER CB C 13 62.107 0.300 . 1 . . . . 105 SER CB . 15706 1 477 . 1 1 105 105 SER N N 15 113.392 0.300 . 1 . . . . 105 SER N . 15706 1 478 . 1 1 106 106 TRP H H 1 7.045 0.020 . 1 . . . . 106 TRP H . 15706 1 479 . 1 1 106 106 TRP C C 13 178.474 0.300 . 1 . . . . 106 TRP C . 15706 1 480 . 1 1 106 106 TRP CA C 13 57.737 0.300 . 1 . . . . 106 TRP CA . 15706 1 481 . 1 1 106 106 TRP CB C 13 29.079 0.300 . 1 . . . . 106 TRP CB . 15706 1 482 . 1 1 106 106 TRP N N 15 122.760 0.300 . 1 . . . . 106 TRP N . 15706 1 483 . 1 1 107 107 ILE H H 1 7.493 0.020 . 1 . . . . 107 ILE H . 15706 1 484 . 1 1 107 107 ILE C C 13 177.767 0.300 . 1 . . . . 107 ILE C . 15706 1 485 . 1 1 107 107 ILE CA C 13 65.819 0.300 . 1 . . . . 107 ILE CA . 15706 1 486 . 1 1 107 107 ILE CB C 13 38.910 0.300 . 1 . . . . 107 ILE CB . 15706 1 487 . 1 1 107 107 ILE N N 15 118.046 0.300 . 1 . . . . 107 ILE N . 15706 1 488 . 1 1 108 108 ILE H H 1 8.699 0.020 . 1 . . . . 108 ILE H . 15706 1 489 . 1 1 108 108 ILE C C 13 177.450 0.300 . 1 . . . . 108 ILE C . 15706 1 490 . 1 1 108 108 ILE CA C 13 66.151 0.300 . 1 . . . . 108 ILE CA . 15706 1 491 . 1 1 108 108 ILE CB C 13 38.404 0.300 . 1 . . . . 108 ILE CB . 15706 1 492 . 1 1 108 108 ILE N N 15 119.812 0.300 . 1 . . . . 108 ILE N . 15706 1 493 . 1 1 109 109 ASN H H 1 7.727 0.020 . 1 . . . . 109 ASN H . 15706 1 494 . 1 1 109 109 ASN C C 13 178.026 0.300 . 1 . . . . 109 ASN C . 15706 1 495 . 1 1 109 109 ASN CA C 13 55.590 0.300 . 1 . . . . 109 ASN CA . 15706 1 496 . 1 1 109 109 ASN CB C 13 37.861 0.300 . 1 . . . . 109 ASN CB . 15706 1 497 . 1 1 109 109 ASN N N 15 117.809 0.300 . 1 . . . . 109 ASN N . 15706 1 498 . 1 1 110 110 GLY H H 1 7.956 0.020 . 1 . . . . 110 GLY H . 15706 1 499 . 1 1 110 110 GLY C C 13 174.517 0.300 . 1 . . . . 110 GLY C . 15706 1 500 . 1 1 110 110 GLY CA C 13 47.713 0.300 . 1 . . . . 110 GLY CA . 15706 1 501 . 1 1 110 110 GLY N N 15 109.294 0.300 . 1 . . . . 110 GLY N . 15706 1 502 . 1 1 111 111 ILE H H 1 8.352 0.020 . 1 . . . . 111 ILE H . 15706 1 503 . 1 1 111 111 ILE C C 13 178.251 0.300 . 1 . . . . 111 ILE C . 15706 1 504 . 1 1 111 111 ILE CA C 13 66.045 0.300 . 1 . . . . 111 ILE CA . 15706 1 505 . 1 1 111 111 ILE CB C 13 36.872 0.300 . 1 . . . . 111 ILE CB . 15706 1 506 . 1 1 111 111 ILE N N 15 123.539 0.300 . 1 . . . . 111 ILE N . 15706 1 507 . 1 1 112 112 GLU H H 1 8.501 0.020 . 1 . . . . 112 GLU H . 15706 1 508 . 1 1 112 112 GLU C C 13 179.755 0.300 . 1 . . . . 112 GLU C . 15706 1 509 . 1 1 112 112 GLU CA C 13 59.738 0.300 . 1 . . . . 112 GLU CA . 15706 1 510 . 1 1 112 112 GLU CB C 13 28.691 0.300 . 1 . . . . 112 GLU CB . 15706 1 511 . 1 1 112 112 GLU N N 15 119.054 0.300 . 1 . . . . 112 GLU N . 15706 1 512 . 1 1 113 113 TRP H H 1 7.989 0.020 . 1 . . . . 113 TRP H . 15706 1 513 . 1 1 113 113 TRP C C 13 179.077 0.300 . 1 . . . . 113 TRP C . 15706 1 514 . 1 1 113 113 TRP CA C 13 62.350 0.300 . 1 . . . . 113 TRP CA . 15706 1 515 . 1 1 113 113 TRP CB C 13 29.402 0.300 . 1 . . . . 113 TRP CB . 15706 1 516 . 1 1 113 113 TRP N N 15 120.971 0.300 . 1 . . . . 113 TRP N . 15706 1 517 . 1 1 114 114 ALA H H 1 8.181 0.020 . 1 . . . . 114 ALA H . 15706 1 518 . 1 1 114 114 ALA C C 13 177.958 0.300 . 1 . . . . 114 ALA C . 15706 1 519 . 1 1 114 114 ALA CA C 13 55.095 0.300 . 1 . . . . 114 ALA CA . 15706 1 520 . 1 1 114 114 ALA CB C 13 18.235 0.300 . 1 . . . . 114 ALA CB . 15706 1 521 . 1 1 114 114 ALA N N 15 122.789 0.300 . 1 . . . . 114 ALA N . 15706 1 522 . 1 1 115 115 ILE H H 1 8.059 0.020 . 1 . . . . 115 ILE H . 15706 1 523 . 1 1 115 115 ILE C C 13 180.361 0.300 . 1 . . . . 115 ILE C . 15706 1 524 . 1 1 115 115 ILE CA C 13 65.092 0.300 . 1 . . . . 115 ILE CA . 15706 1 525 . 1 1 115 115 ILE CB C 13 38.793 0.300 . 1 . . . . 115 ILE CB . 15706 1 526 . 1 1 115 115 ILE N N 15 117.780 0.300 . 1 . . . . 115 ILE N . 15706 1 527 . 1 1 116 116 SER H H 1 8.448 0.020 . 1 . . . . 116 SER H . 15706 1 528 . 1 1 116 116 SER C C 13 174.631 0.300 . 1 . . . . 116 SER C . 15706 1 529 . 1 1 116 116 SER CA C 13 61.369 0.300 . 1 . . . . 116 SER CA . 15706 1 530 . 1 1 116 116 SER CB C 13 62.961 0.300 . 1 . . . . 116 SER CB . 15706 1 531 . 1 1 116 116 SER N N 15 116.551 0.300 . 1 . . . . 116 SER N . 15706 1 532 . 1 1 117 117 ASN H H 1 7.313 0.020 . 1 . . . . 117 ASN H . 15706 1 533 . 1 1 117 117 ASN C C 13 172.364 0.300 . 1 . . . . 117 ASN C . 15706 1 534 . 1 1 117 117 ASN CA C 13 53.511 0.300 . 1 . . . . 117 ASN CA . 15706 1 535 . 1 1 117 117 ASN CB C 13 37.705 0.300 . 1 . . . . 117 ASN CB . 15706 1 536 . 1 1 117 117 ASN N N 15 115.213 0.300 . 1 . . . . 117 ASN N . 15706 1 537 . 1 1 118 118 ASN H H 1 7.637 0.020 . 1 . . . . 118 ASN H . 15706 1 538 . 1 1 118 118 ASN C C 13 174.635 0.300 . 1 . . . . 118 ASN C . 15706 1 539 . 1 1 118 118 ASN CA C 13 54.246 0.300 . 1 . . . . 118 ASN CA . 15706 1 540 . 1 1 118 118 ASN CB C 13 36.651 0.300 . 1 . . . . 118 ASN CB . 15706 1 541 . 1 1 118 118 ASN N N 15 114.120 0.300 . 1 . . . . 118 ASN N . 15706 1 542 . 1 1 119 119 MET H H 1 7.392 0.020 . 1 . . . . 119 MET H . 15706 1 543 . 1 1 119 119 MET C C 13 174.974 0.300 . 1 . . . . 119 MET C . 15706 1 544 . 1 1 119 119 MET CA C 13 54.283 0.300 . 1 . . . . 119 MET CA . 15706 1 545 . 1 1 119 119 MET CB C 13 34.286 0.300 . 1 . . . . 119 MET CB . 15706 1 546 . 1 1 119 119 MET N N 15 113.581 0.300 . 1 . . . . 119 MET N . 15706 1 547 . 1 1 120 120 ASP H H 1 8.699 0.020 . 1 . . . . 120 ASP H . 15706 1 548 . 1 1 120 120 ASP C C 13 177.338 0.300 . 1 . . . . 120 ASP C . 15706 1 549 . 1 1 120 120 ASP CA C 13 56.729 0.300 . 1 . . . . 120 ASP CA . 15706 1 550 . 1 1 120 120 ASP CB C 13 44.201 0.300 . 1 . . . . 120 ASP CB . 15706 1 551 . 1 1 120 120 ASP N N 15 117.613 0.300 . 1 . . . . 120 ASP N . 15706 1 552 . 1 1 121 121 VAL H H 1 8.159 0.020 . 1 . . . . 121 VAL H . 15706 1 553 . 1 1 121 121 VAL C C 13 173.825 0.300 . 1 . . . . 121 VAL C . 15706 1 554 . 1 1 121 121 VAL CA C 13 60.199 0.300 . 1 . . . . 121 VAL CA . 15706 1 555 . 1 1 121 121 VAL CB C 13 37.344 0.300 . 1 . . . . 121 VAL CB . 15706 1 556 . 1 1 121 121 VAL N N 15 119.527 0.300 . 1 . . . . 121 VAL N . 15706 1 557 . 1 1 122 122 ILE H H 1 9.524 0.020 . 1 . . . . 122 ILE H . 15706 1 558 . 1 1 122 122 ILE C C 13 172.796 0.300 . 1 . . . . 122 ILE C . 15706 1 559 . 1 1 122 122 ILE CA C 13 60.252 0.300 . 1 . . . . 122 ILE CA . 15706 1 560 . 1 1 122 122 ILE CB C 13 42.135 0.300 . 1 . . . . 122 ILE CB . 15706 1 561 . 1 1 122 122 ILE N N 15 125.988 0.300 . 1 . . . . 122 ILE N . 15706 1 562 . 1 1 123 123 ASN H H 1 8.888 0.020 . 1 . . . . 123 ASN H . 15706 1 563 . 1 1 123 123 ASN C C 13 174.161 0.300 . 1 . . . . 123 ASN C . 15706 1 564 . 1 1 123 123 ASN CA C 13 53.406 0.300 . 1 . . . . 123 ASN CA . 15706 1 565 . 1 1 123 123 ASN CB C 13 43.871 0.300 . 1 . . . . 123 ASN CB . 15706 1 566 . 1 1 123 123 ASN N N 15 126.964 0.300 . 1 . . . . 123 ASN N . 15706 1 567 . 1 1 124 124 MET H H 1 9.127 0.020 . 1 . . . . 124 MET H . 15706 1 568 . 1 1 124 124 MET C C 13 174.871 0.300 . 1 . . . . 124 MET C . 15706 1 569 . 1 1 124 124 MET CA C 13 55.194 0.300 . 1 . . . . 124 MET CA . 15706 1 570 . 1 1 124 124 MET CB C 13 34.198 0.300 . 1 . . . . 124 MET CB . 15706 1 571 . 1 1 124 124 MET N N 15 126.572 0.300 . 1 . . . . 124 MET N . 15706 1 572 . 1 1 125 125 SER C C 13 172.359 0.300 . 1 . . . . 125 SER C . 15706 1 573 . 1 1 125 125 SER CA C 13 58.007 0.300 . 1 . . . . 125 SER CA . 15706 1 574 . 1 1 125 125 SER CB C 13 60.113 0.300 . 1 . . . . 125 SER CB . 15706 1 575 . 1 1 126 126 LEU H H 1 7.632 0.020 . 1 . . . . 126 LEU H . 15706 1 576 . 1 1 126 126 LEU C C 13 174.415 0.300 . 1 . . . . 126 LEU C . 15706 1 577 . 1 1 126 126 LEU CA C 13 53.294 0.300 . 1 . . . . 126 LEU CA . 15706 1 578 . 1 1 126 126 LEU CB C 13 43.844 0.300 . 1 . . . . 126 LEU CB . 15706 1 579 . 1 1 126 126 LEU N N 15 114.199 0.300 . 1 . . . . 126 LEU N . 15706 1 580 . 1 1 127 127 GLY H H 1 8.537 0.020 . 1 . . . . 127 GLY H . 15706 1 581 . 1 1 127 127 GLY C C 13 172.364 0.300 . 1 . . . . 127 GLY C . 15706 1 582 . 1 1 127 127 GLY CA C 13 45.982 0.300 . 1 . . . . 127 GLY CA . 15706 1 583 . 1 1 127 127 GLY N N 15 107.718 0.300 . 1 . . . . 127 GLY N . 15706 1 584 . 1 1 128 128 GLY H H 1 8.612 0.020 . 1 . . . . 128 GLY H . 15706 1 585 . 1 1 128 128 GLY C C 13 172.693 0.300 . 1 . . . . 128 GLY C . 15706 1 586 . 1 1 128 128 GLY CA C 13 44.825 0.300 . 1 . . . . 128 GLY CA . 15706 1 587 . 1 1 128 128 GLY N N 15 108.332 0.300 . 1 . . . . 128 GLY N . 15706 1 588 . 1 1 129 129 PRO C C 13 177.013 0.300 . 1 . . . . 129 PRO C . 15706 1 589 . 1 1 129 129 PRO CA C 13 64.270 0.300 . 1 . . . . 129 PRO CA . 15706 1 590 . 1 1 129 129 PRO CB C 13 32.576 0.300 . 1 . . . . 129 PRO CB . 15706 1 591 . 1 1 130 130 THR H H 1 7.506 0.020 . 1 . . . . 130 THR H . 15706 1 592 . 1 1 130 130 THR C C 13 173.042 0.300 . 1 . . . . 130 THR C . 15706 1 593 . 1 1 130 130 THR CA C 13 60.651 0.300 . 1 . . . . 130 THR CA . 15706 1 594 . 1 1 130 130 THR CB C 13 70.966 0.300 . 1 . . . . 130 THR CB . 15706 1 595 . 1 1 130 130 THR N N 15 111.579 0.300 . 1 . . . . 130 THR N . 15706 1 596 . 1 1 131 131 GLY H H 1 7.907 0.020 . 1 . . . . 131 GLY H . 15706 1 597 . 1 1 131 131 GLY C C 13 172.624 0.300 . 1 . . . . 131 GLY C . 15706 1 598 . 1 1 131 131 GLY CA C 13 43.158 0.300 . 1 . . . . 131 GLY CA . 15706 1 599 . 1 1 131 131 GLY N N 15 112.253 0.300 . 1 . . . . 131 GLY N . 15706 1 600 . 1 1 132 132 SER H H 1 7.241 0.020 . 1 . . . . 132 SER H . 15706 1 601 . 1 1 132 132 SER C C 13 172.607 0.300 . 1 . . . . 132 SER C . 15706 1 602 . 1 1 132 132 SER CA C 13 56.971 0.300 . 1 . . . . 132 SER CA . 15706 1 603 . 1 1 132 132 SER CB C 13 65.386 0.300 . 1 . . . . 132 SER CB . 15706 1 604 . 1 1 132 132 SER N N 15 112.681 0.300 . 1 . . . . 132 SER N . 15706 1 605 . 1 1 134 134 ALA C C 13 179.603 0.300 . 1 . . . . 134 ALA C . 15706 1 606 . 1 1 134 134 ALA CA C 13 55.072 0.300 . 1 . . . . 134 ALA CA . 15706 1 607 . 1 1 134 134 ALA CB C 13 18.475 0.300 . 1 . . . . 134 ALA CB . 15706 1 608 . 1 1 135 135 LEU H H 1 7.744 0.020 . 1 . . . . 135 LEU H . 15706 1 609 . 1 1 135 135 LEU C C 13 176.856 0.300 . 1 . . . . 135 LEU C . 15706 1 610 . 1 1 135 135 LEU CA C 13 57.039 0.300 . 1 . . . . 135 LEU CA . 15706 1 611 . 1 1 135 135 LEU CB C 13 41.953 0.300 . 1 . . . . 135 LEU CB . 15706 1 612 . 1 1 135 135 LEU N N 15 120.947 0.300 . 1 . . . . 135 LEU N . 15706 1 613 . 1 1 136 136 LYS H H 1 8.043 0.020 . 1 . . . . 136 LYS H . 15706 1 614 . 1 1 136 136 LYS C C 13 177.636 0.300 . 1 . . . . 136 LYS C . 15706 1 615 . 1 1 136 136 LYS CA C 13 60.416 0.300 . 1 . . . . 136 LYS CA . 15706 1 616 . 1 1 136 136 LYS CB C 13 31.877 0.300 . 1 . . . . 136 LYS CB . 15706 1 617 . 1 1 136 136 LYS N N 15 119.648 0.300 . 1 . . . . 136 LYS N . 15706 1 618 . 1 1 137 137 THR H H 1 8.232 0.020 . 1 . . . . 137 THR H . 15706 1 619 . 1 1 137 137 THR C C 13 177.043 0.300 . 1 . . . . 137 THR C . 15706 1 620 . 1 1 137 137 THR CA C 13 66.681 0.300 . 1 . . . . 137 THR CA . 15706 1 621 . 1 1 137 137 THR CB C 13 68.945 0.300 . 1 . . . . 137 THR CB . 15706 1 622 . 1 1 137 137 THR N N 15 111.969 0.300 . 1 . . . . 137 THR N . 15706 1 623 . 1 1 138 138 VAL H H 1 7.419 0.020 . 1 . . . . 138 VAL H . 15706 1 624 . 1 1 138 138 VAL C C 13 176.399 0.300 . 1 . . . . 138 VAL C . 15706 1 625 . 1 1 138 138 VAL CA C 13 65.056 0.300 . 1 . . . . 138 VAL CA . 15706 1 626 . 1 1 138 138 VAL CB C 13 31.410 0.300 . 1 . . . . 138 VAL CB . 15706 1 627 . 1 1 138 138 VAL N N 15 120.542 0.300 . 1 . . . . 138 VAL N . 15706 1 628 . 1 1 139 139 VAL H H 1 7.987 0.020 . 1 . . . . 139 VAL H . 15706 1 629 . 1 1 139 139 VAL C C 13 177.212 0.300 . 1 . . . . 139 VAL C . 15706 1 630 . 1 1 139 139 VAL CA C 13 67.387 0.300 . 1 . . . . 139 VAL CA . 15706 1 631 . 1 1 139 139 VAL CB C 13 31.255 0.300 . 1 . . . . 139 VAL CB . 15706 1 632 . 1 1 139 139 VAL N N 15 124.282 0.300 . 1 . . . . 139 VAL N . 15706 1 633 . 1 1 140 140 ASP H H 1 8.597 0.020 . 1 . . . . 140 ASP H . 15706 1 634 . 1 1 140 140 ASP C C 13 179.657 0.300 . 1 . . . . 140 ASP C . 15706 1 635 . 1 1 140 140 ASP CA C 13 57.285 0.300 . 1 . . . . 140 ASP CA . 15706 1 636 . 1 1 140 140 ASP CB C 13 38.838 0.300 . 1 . . . . 140 ASP CB . 15706 1 637 . 1 1 140 140 ASP N N 15 119.914 0.300 . 1 . . . . 140 ASP N . 15706 1 638 . 1 1 141 141 LYS H H 1 8.100 0.020 . 1 . . . . 141 LYS H . 15706 1 639 . 1 1 141 141 LYS C C 13 179.179 0.300 . 1 . . . . 141 LYS C . 15706 1 640 . 1 1 141 141 LYS CA C 13 59.087 0.300 . 1 . . . . 141 LYS CA . 15706 1 641 . 1 1 141 141 LYS CB C 13 32.390 0.300 . 1 . . . . 141 LYS CB . 15706 1 642 . 1 1 141 141 LYS N N 15 122.369 0.300 . 1 . . . . 141 LYS N . 15706 1 643 . 1 1 142 142 ALA H H 1 8.327 0.020 . 1 . . . . 142 ALA H . 15706 1 644 . 1 1 142 142 ALA C C 13 179.138 0.300 . 1 . . . . 142 ALA C . 15706 1 645 . 1 1 142 142 ALA CA C 13 55.660 0.300 . 1 . . . . 142 ALA CA . 15706 1 646 . 1 1 142 142 ALA CB C 13 16.568 0.300 . 1 . . . . 142 ALA CB . 15706 1 647 . 1 1 142 142 ALA N N 15 125.099 0.300 . 1 . . . . 142 ALA N . 15706 1 648 . 1 1 143 143 VAL H H 1 7.819 0.020 . 1 . . . . 143 VAL H . 15706 1 649 . 1 1 143 143 VAL C C 13 181.518 0.300 . 1 . . . . 143 VAL C . 15706 1 650 . 1 1 143 143 VAL CA C 13 66.031 0.300 . 1 . . . . 143 VAL CA . 15706 1 651 . 1 1 143 143 VAL CB C 13 32.162 0.300 . 1 . . . . 143 VAL CB . 15706 1 652 . 1 1 143 143 VAL N N 15 120.005 0.300 . 1 . . . . 143 VAL N . 15706 1 653 . 1 1 144 144 SER H H 1 9.108 0.020 . 1 . . . . 144 SER H . 15706 1 654 . 1 1 144 144 SER C C 13 176.329 0.300 . 1 . . . . 144 SER C . 15706 1 655 . 1 1 144 144 SER CA C 13 61.669 0.300 . 1 . . . . 144 SER CA . 15706 1 656 . 1 1 144 144 SER CB C 13 62.806 0.300 . 1 . . . . 144 SER CB . 15706 1 657 . 1 1 144 144 SER N N 15 120.095 0.300 . 1 . . . . 144 SER N . 15706 1 658 . 1 1 145 145 SER H H 1 7.920 0.020 . 1 . . . . 145 SER H . 15706 1 659 . 1 1 145 145 SER C C 13 173.893 0.300 . 1 . . . . 145 SER C . 15706 1 660 . 1 1 145 145 SER CA C 13 59.501 0.300 . 1 . . . . 145 SER CA . 15706 1 661 . 1 1 145 145 SER CB C 13 63.235 0.300 . 1 . . . . 145 SER CB . 15706 1 662 . 1 1 145 145 SER N N 15 116.060 0.300 . 1 . . . . 145 SER N . 15706 1 663 . 1 1 146 146 GLY H H 1 7.882 0.020 . 1 . . . . 146 GLY H . 15706 1 664 . 1 1 146 146 GLY C C 13 174.631 0.300 . 1 . . . . 146 GLY C . 15706 1 665 . 1 1 146 146 GLY CA C 13 44.710 0.300 . 1 . . . . 146 GLY CA . 15706 1 666 . 1 1 146 146 GLY N N 15 106.987 0.300 . 1 . . . . 146 GLY N . 15706 1 667 . 1 1 147 147 ILE H H 1 7.831 0.020 . 1 . . . . 147 ILE H . 15706 1 668 . 1 1 147 147 ILE C C 13 176.280 0.300 . 1 . . . . 147 ILE C . 15706 1 669 . 1 1 147 147 ILE CA C 13 62.193 0.300 . 1 . . . . 147 ILE CA . 15706 1 670 . 1 1 147 147 ILE CB C 13 38.560 0.300 . 1 . . . . 147 ILE CB . 15706 1 671 . 1 1 147 147 ILE N N 15 123.504 0.300 . 1 . . . . 147 ILE N . 15706 1 672 . 1 1 148 148 VAL H H 1 7.668 0.020 . 1 . . . . 148 VAL H . 15706 1 673 . 1 1 148 148 VAL C C 13 174.597 0.300 . 1 . . . . 148 VAL C . 15706 1 674 . 1 1 148 148 VAL CA C 13 62.670 0.300 . 1 . . . . 148 VAL CA . 15706 1 675 . 1 1 148 148 VAL CB C 13 32.965 0.300 . 1 . . . . 148 VAL CB . 15706 1 676 . 1 1 148 148 VAL N N 15 126.429 0.300 . 1 . . . . 148 VAL N . 15706 1 677 . 1 1 149 149 VAL H H 1 8.837 0.020 . 1 . . . . 149 VAL H . 15706 1 678 . 1 1 149 149 VAL C C 13 173.669 0.300 . 1 . . . . 149 VAL C . 15706 1 679 . 1 1 149 149 VAL CA C 13 61.878 0.300 . 1 . . . . 149 VAL CA . 15706 1 680 . 1 1 149 149 VAL CB C 13 32.887 0.300 . 1 . . . . 149 VAL CB . 15706 1 681 . 1 1 149 149 VAL N N 15 128.472 0.300 . 1 . . . . 149 VAL N . 15706 1 682 . 1 1 150 150 ALA H H 1 8.460 0.020 . 1 . . . . 150 ALA H . 15706 1 683 . 1 1 150 150 ALA C C 13 173.783 0.300 . 1 . . . . 150 ALA C . 15706 1 684 . 1 1 150 150 ALA CA C 13 50.243 0.300 . 1 . . . . 150 ALA CA . 15706 1 685 . 1 1 150 150 ALA CB C 13 20.220 0.300 . 1 . . . . 150 ALA CB . 15706 1 686 . 1 1 150 150 ALA N N 15 131.907 0.300 . 1 . . . . 150 ALA N . 15706 1 687 . 1 1 151 151 ALA H H 1 9.535 0.020 . 1 . . . . 151 ALA H . 15706 1 688 . 1 1 151 151 ALA C C 13 174.652 0.300 . 1 . . . . 151 ALA C . 15706 1 689 . 1 1 151 151 ALA CA C 13 49.620 0.300 . 1 . . . . 151 ALA CA . 15706 1 690 . 1 1 151 151 ALA CB C 13 22.240 0.300 . 1 . . . . 151 ALA CB . 15706 1 691 . 1 1 151 151 ALA N N 15 126.332 0.300 . 1 . . . . 151 ALA N . 15706 1 692 . 1 1 152 152 ALA H H 1 7.613 0.020 . 1 . . . . 152 ALA H . 15706 1 693 . 1 1 152 152 ALA C C 13 178.433 0.300 . 1 . . . . 152 ALA C . 15706 1 694 . 1 1 152 152 ALA CA C 13 52.411 0.300 . 1 . . . . 152 ALA CA . 15706 1 695 . 1 1 152 152 ALA CB C 13 19.493 0.300 . 1 . . . . 152 ALA CB . 15706 1 696 . 1 1 152 152 ALA N N 15 124.977 0.300 . 1 . . . . 152 ALA N . 15706 1 697 . 1 1 153 153 ALA H H 1 9.119 0.020 . 1 . . . . 153 ALA H . 15706 1 698 . 1 1 153 153 ALA C C 13 176.364 0.300 . 1 . . . . 153 ALA C . 15706 1 699 . 1 1 153 153 ALA CA C 13 54.707 0.300 . 1 . . . . 153 ALA CA . 15706 1 700 . 1 1 153 153 ALA CB C 13 19.328 0.300 . 1 . . . . 153 ALA CB . 15706 1 701 . 1 1 153 153 ALA N N 15 122.470 0.300 . 1 . . . . 153 ALA N . 15706 1 702 . 1 1 154 154 GLY H H 1 7.313 0.020 . 1 . . . . 154 GLY H . 15706 1 703 . 1 1 154 154 GLY C C 13 172.550 0.300 . 1 . . . . 154 GLY C . 15706 1 704 . 1 1 154 154 GLY CA C 13 43.297 0.300 . 1 . . . . 154 GLY CA . 15706 1 705 . 1 1 154 154 GLY N N 15 101.368 0.300 . 1 . . . . 154 GLY N . 15706 1 706 . 1 1 155 155 ASN H H 1 8.823 0.020 . 1 . . . . 155 ASN H . 15706 1 707 . 1 1 155 155 ASN C C 13 177.575 0.300 . 1 . . . . 155 ASN C . 15706 1 708 . 1 1 155 155 ASN CA C 13 51.068 0.300 . 1 . . . . 155 ASN CA . 15706 1 709 . 1 1 155 155 ASN CB C 13 38.094 0.300 . 1 . . . . 155 ASN CB . 15706 1 710 . 1 1 155 155 ASN N N 15 120.242 0.300 . 1 . . . . 155 ASN N . 15706 1 711 . 1 1 156 156 GLU H H 1 7.502 0.020 . 1 . . . . 156 GLU H . 15706 1 712 . 1 1 156 156 GLU C C 13 177.094 0.300 . 1 . . . . 156 GLU C . 15706 1 713 . 1 1 156 156 GLU CA C 13 55.536 0.300 . 1 . . . . 156 GLU CA . 15706 1 714 . 1 1 156 156 GLU CB C 13 30.478 0.300 . 1 . . . . 156 GLU CB . 15706 1 715 . 1 1 156 156 GLU N N 15 115.975 0.300 . 1 . . . . 156 GLU N . 15706 1 716 . 1 1 157 157 GLY H H 1 7.787 0.020 . 1 . . . . 157 GLY H . 15706 1 717 . 1 1 157 157 GLY C C 13 171.482 0.300 . 1 . . . . 157 GLY C . 15706 1 718 . 1 1 157 157 GLY CA C 13 45.142 0.300 . 1 . . . . 157 GLY CA . 15706 1 719 . 1 1 157 157 GLY N N 15 107.246 0.300 . 1 . . . . 157 GLY N . 15706 1 720 . 1 1 158 158 SER H H 1 8.382 0.020 . 1 . . . . 158 SER H . 15706 1 721 . 1 1 158 158 SER C C 13 174.407 0.300 . 1 . . . . 158 SER C . 15706 1 722 . 1 1 158 158 SER CA C 13 57.601 0.300 . 1 . . . . 158 SER CA . 15706 1 723 . 1 1 158 158 SER CB C 13 65.164 0.300 . 1 . . . . 158 SER CB . 15706 1 724 . 1 1 158 158 SER N N 15 113.870 0.300 . 1 . . . . 158 SER N . 15706 1 725 . 1 1 159 159 SER H H 1 9.284 0.020 . 1 . . . . 159 SER H . 15706 1 726 . 1 1 159 159 SER C C 13 174.407 0.300 . 1 . . . . 159 SER C . 15706 1 727 . 1 1 159 159 SER CA C 13 56.817 0.300 . 1 . . . . 159 SER CA . 15706 1 728 . 1 1 159 159 SER CB C 13 63.740 0.300 . 1 . . . . 159 SER CB . 15706 1 729 . 1 1 159 159 SER N N 15 121.238 0.300 . 1 . . . . 159 SER N . 15706 1 730 . 1 1 160 160 GLY H H 1 8.592 0.020 . 1 . . . . 160 GLY H . 15706 1 731 . 1 1 160 160 GLY C C 13 174.540 0.300 . 1 . . . . 160 GLY C . 15706 1 732 . 1 1 160 160 GLY CA C 13 46.080 0.300 . 1 . . . . 160 GLY CA . 15706 1 733 . 1 1 160 160 GLY N N 15 112.913 0.300 . 1 . . . . 160 GLY N . 15706 1 734 . 1 1 161 161 SER C C 13 174.034 0.300 . 1 . . . . 161 SER C . 15706 1 735 . 1 1 161 161 SER CA C 13 58.086 0.300 . 1 . . . . 161 SER CA . 15706 1 736 . 1 1 161 161 SER CB C 13 63.505 0.300 . 1 . . . . 161 SER CB . 15706 1 737 . 1 1 162 162 THR H H 1 7.920 0.020 . 1 . . . . 162 THR H . 15706 1 738 . 1 1 162 162 THR C C 13 173.720 0.300 . 1 . . . . 162 THR C . 15706 1 739 . 1 1 162 162 THR CA C 13 61.714 0.300 . 1 . . . . 162 THR CA . 15706 1 740 . 1 1 162 162 THR CB C 13 70.153 0.300 . 1 . . . . 162 THR CB . 15706 1 741 . 1 1 162 162 THR N N 15 117.133 0.300 . 1 . . . . 162 THR N . 15706 1 742 . 1 1 163 163 SER H H 1 8.783 0.020 . 1 . . . . 163 SER H . 15706 1 743 . 1 1 163 163 SER C C 13 177.335 0.300 . 1 . . . . 163 SER C . 15706 1 744 . 1 1 163 163 SER CA C 13 57.589 0.300 . 1 . . . . 163 SER CA . 15706 1 745 . 1 1 163 163 SER CB C 13 62.806 0.300 . 1 . . . . 163 SER CB . 15706 1 746 . 1 1 163 163 SER N N 15 118.569 0.300 . 1 . . . . 163 SER N . 15706 1 747 . 1 1 164 164 THR H H 1 9.505 0.020 . 1 . . . . 164 THR H . 15706 1 748 . 1 1 164 164 THR C C 13 174.214 0.300 . 1 . . . . 164 THR C . 15706 1 749 . 1 1 164 164 THR CA C 13 59.723 0.300 . 1 . . . . 164 THR CA . 15706 1 750 . 1 1 164 164 THR CB C 13 69.018 0.300 . 1 . . . . 164 THR CB . 15706 1 751 . 1 1 164 164 THR N N 15 118.319 0.300 . 1 . . . . 164 THR N . 15706 1 752 . 1 1 165 165 VAL H H 1 7.972 0.020 . 1 . . . . 165 VAL H . 15706 1 753 . 1 1 165 165 VAL C C 13 176.060 0.300 . 1 . . . . 165 VAL C . 15706 1 754 . 1 1 165 165 VAL CA C 13 63.322 0.300 . 1 . . . . 165 VAL CA . 15706 1 755 . 1 1 165 165 VAL CB C 13 31.333 0.300 . 1 . . . . 165 VAL CB . 15706 1 756 . 1 1 165 165 VAL N N 15 127.931 0.300 . 1 . . . . 165 VAL N . 15706 1 757 . 1 1 166 166 GLY H H 1 7.996 0.020 . 1 . . . . 166 GLY H . 15706 1 758 . 1 1 166 166 GLY C C 13 172.109 0.300 . 1 . . . . 166 GLY C . 15706 1 759 . 1 1 166 166 GLY CA C 13 44.145 0.300 . 1 . . . . 166 GLY CA . 15706 1 760 . 1 1 166 166 GLY N N 15 115.296 0.300 . 1 . . . . 166 GLY N . 15706 1 761 . 1 1 167 167 TYR H H 1 8.926 0.020 . 1 . . . . 167 TYR H . 15706 1 762 . 1 1 167 167 TYR C C 13 175.036 0.300 . 1 . . . . 167 TYR C . 15706 1 763 . 1 1 167 167 TYR CA C 13 56.311 0.300 . 1 . . . . 167 TYR CA . 15706 1 764 . 1 1 167 167 TYR CB C 13 38.668 0.300 . 1 . . . . 167 TYR CB . 15706 1 765 . 1 1 167 167 TYR N N 15 114.571 0.300 . 1 . . . . 167 TYR N . 15706 1 766 . 1 1 168 168 PRO C C 13 176.278 0.300 . 1 . . . . 168 PRO C . 15706 1 767 . 1 1 168 168 PRO CA C 13 62.941 0.300 . 1 . . . . 168 PRO CA . 15706 1 768 . 1 1 168 168 PRO CB C 13 35.536 0.300 . 1 . . . . 168 PRO CB . 15706 1 769 . 1 1 169 169 ALA H H 1 7.971 0.020 . 1 . . . . 169 ALA H . 15706 1 770 . 1 1 169 169 ALA C C 13 176.534 0.300 . 1 . . . . 169 ALA C . 15706 1 771 . 1 1 169 169 ALA CA C 13 54.530 0.300 . 1 . . . . 169 ALA CA . 15706 1 772 . 1 1 169 169 ALA CB C 13 17.859 0.300 . 1 . . . . 169 ALA CB . 15706 1 773 . 1 1 169 169 ALA N N 15 127.955 0.300 . 1 . . . . 169 ALA N . 15706 1 774 . 1 1 170 170 LYS H H 1 8.286 0.020 . 1 . . . . 170 LYS H . 15706 1 775 . 1 1 170 170 LYS C C 13 180.044 0.300 . 1 . . . . 170 LYS C . 15706 1 776 . 1 1 170 170 LYS CA C 13 59.864 0.300 . 1 . . . . 170 LYS CA . 15706 1 777 . 1 1 170 170 LYS CB C 13 34.752 0.300 . 1 . . . . 170 LYS CB . 15706 1 778 . 1 1 170 170 LYS N N 15 113.846 0.300 . 1 . . . . 170 LYS N . 15706 1 779 . 1 1 171 171 TYR H H 1 7.690 0.020 . 1 . . . . 171 TYR H . 15706 1 780 . 1 1 171 171 TYR C C 13 175.540 0.300 . 1 . . . . 171 TYR C . 15706 1 781 . 1 1 171 171 TYR CA C 13 54.234 0.300 . 1 . . . . 171 TYR CA . 15706 1 782 . 1 1 171 171 TYR CB C 13 34.985 0.300 . 1 . . . . 171 TYR CB . 15706 1 783 . 1 1 171 171 TYR N N 15 119.841 0.300 . 1 . . . . 171 TYR N . 15706 1 784 . 1 1 172 172 PRO C C 13 178.328 0.300 . 1 . . . . 172 PRO C . 15706 1 785 . 1 1 172 172 PRO CA C 13 63.874 0.300 . 1 . . . . 172 PRO CA . 15706 1 786 . 1 1 172 172 PRO CB C 13 31.799 0.300 . 1 . . . . 172 PRO CB . 15706 1 787 . 1 1 173 173 SER H H 1 8.739 0.020 . 1 . . . . 173 SER H . 15706 1 788 . 1 1 173 173 SER C C 13 176.032 0.300 . 1 . . . . 173 SER C . 15706 1 789 . 1 1 173 173 SER CA C 13 60.164 0.300 . 1 . . . . 173 SER CA . 15706 1 790 . 1 1 173 173 SER CB C 13 61.407 0.300 . 1 . . . . 173 SER CB . 15706 1 791 . 1 1 173 173 SER N N 15 116.448 0.300 . 1 . . . . 173 SER N . 15706 1 792 . 1 1 174 174 THR H H 1 8.220 0.020 . 1 . . . . 174 THR H . 15706 1 793 . 1 1 174 174 THR C C 13 175.300 0.300 . 1 . . . . 174 THR C . 15706 1 794 . 1 1 174 174 THR CA C 13 62.088 0.300 . 1 . . . . 174 THR CA . 15706 1 795 . 1 1 174 174 THR CB C 13 71.199 0.300 . 1 . . . . 174 THR CB . 15706 1 796 . 1 1 174 174 THR N N 15 112.998 0.300 . 1 . . . . 174 THR N . 15706 1 797 . 1 1 175 175 ILE H H 1 8.454 0.020 . 1 . . . . 175 ILE H . 15706 1 798 . 1 1 175 175 ILE C C 13 173.739 0.300 . 1 . . . . 175 ILE C . 15706 1 799 . 1 1 175 175 ILE CA C 13 60.990 0.300 . 1 . . . . 175 ILE CA . 15706 1 800 . 1 1 175 175 ILE CB C 13 39.231 0.300 . 1 . . . . 175 ILE CB . 15706 1 801 . 1 1 175 175 ILE N N 15 122.939 0.300 . 1 . . . . 175 ILE N . 15706 1 802 . 1 1 176 176 ALA H H 1 10.692 0.020 . 1 . . . . 176 ALA H . 15706 1 803 . 1 1 176 176 ALA C C 13 178.942 0.300 . 1 . . . . 176 ALA C . 15706 1 804 . 1 1 176 176 ALA CA C 13 51.422 0.300 . 1 . . . . 176 ALA CA . 15706 1 805 . 1 1 176 176 ALA CB C 13 20.142 0.300 . 1 . . . . 176 ALA CB . 15706 1 806 . 1 1 176 176 ALA N N 15 133.496 0.300 . 1 . . . . 176 ALA N . 15706 1 807 . 1 1 177 177 VAL H H 1 8.581 0.020 . 1 . . . . 177 VAL H . 15706 1 808 . 1 1 177 177 VAL C C 13 176.399 0.300 . 1 . . . . 177 VAL C . 15706 1 809 . 1 1 177 177 VAL CA C 13 61.957 0.300 . 1 . . . . 177 VAL CA . 15706 1 810 . 1 1 177 177 VAL CB C 13 32.626 0.300 . 1 . . . . 177 VAL CB . 15706 1 811 . 1 1 177 177 VAL N N 15 124.123 0.300 . 1 . . . . 177 VAL N . 15706 1 812 . 1 1 178 178 GLY H H 1 9.006 0.020 . 1 . . . . 178 GLY H . 15706 1 813 . 1 1 178 178 GLY C C 13 171.770 0.300 . 1 . . . . 178 GLY C . 15706 1 814 . 1 1 178 178 GLY CA C 13 43.956 0.300 . 1 . . . . 178 GLY CA . 15706 1 815 . 1 1 178 178 GLY N N 15 116.384 0.300 . 1 . . . . 178 GLY N . 15706 1 816 . 1 1 179 179 ALA H H 1 7.822 0.020 . 1 . . . . 179 ALA H . 15706 1 817 . 1 1 179 179 ALA C C 13 176.424 0.300 . 1 . . . . 179 ALA C . 15706 1 818 . 1 1 179 179 ALA CA C 13 49.797 0.300 . 1 . . . . 179 ALA CA . 15706 1 819 . 1 1 179 179 ALA CB C 13 24.782 0.300 . 1 . . . . 179 ALA CB . 15706 1 820 . 1 1 179 179 ALA N N 15 117.293 0.300 . 1 . . . . 179 ALA N . 15706 1 821 . 1 1 180 180 VAL H H 1 7.850 0.020 . 1 . . . . 180 VAL H . 15706 1 822 . 1 1 180 180 VAL C C 13 175.568 0.300 . 1 . . . . 180 VAL C . 15706 1 823 . 1 1 180 180 VAL CA C 13 58.106 0.300 . 1 . . . . 180 VAL CA . 15706 1 824 . 1 1 180 180 VAL CB C 13 35.975 0.300 . 1 . . . . 180 VAL CB . 15706 1 825 . 1 1 180 180 VAL N N 15 111.692 0.300 . 1 . . . . 180 VAL N . 15706 1 826 . 1 1 181 181 ASN H H 1 8.292 0.020 . 1 . . . . 181 ASN H . 15706 1 827 . 1 1 181 181 ASN C C 13 177.826 0.300 . 1 . . . . 181 ASN C . 15706 1 828 . 1 1 181 181 ASN CA C 13 50.645 0.300 . 1 . . . . 181 ASN CA . 15706 1 829 . 1 1 181 181 ASN CB C 13 39.337 0.300 . 1 . . . . 181 ASN CB . 15706 1 830 . 1 1 181 181 ASN N N 15 118.197 0.300 . 1 . . . . 181 ASN N . 15706 1 831 . 1 1 182 182 SER H H 1 8.468 0.020 . 1 . . . . 182 SER H . 15706 1 832 . 1 1 182 182 SER C C 13 175.008 0.300 . 1 . . . . 182 SER C . 15706 1 833 . 1 1 182 182 SER CA C 13 60.582 0.300 . 1 . . . . 182 SER CA . 15706 1 834 . 1 1 182 182 SER CB C 13 62.806 0.300 . 1 . . . . 182 SER CB . 15706 1 835 . 1 1 182 182 SER N N 15 113.634 0.300 . 1 . . . . 182 SER N . 15706 1 836 . 1 1 183 183 SER H H 1 7.671 0.020 . 1 . . . . 183 SER H . 15706 1 837 . 1 1 183 183 SER C C 13 173.507 0.300 . 1 . . . . 183 SER C . 15706 1 838 . 1 1 183 183 SER CA C 13 57.521 0.300 . 1 . . . . 183 SER CA . 15706 1 839 . 1 1 183 183 SER CB C 13 63.090 0.300 . 1 . . . . 183 SER CB . 15706 1 840 . 1 1 183 183 SER N N 15 117.012 0.300 . 1 . . . . 183 SER N . 15706 1 841 . 1 1 184 184 ASN H H 1 8.000 0.020 . 1 . . . . 184 ASN H . 15706 1 842 . 1 1 184 184 ASN C C 13 173.221 0.300 . 1 . . . . 184 ASN C . 15706 1 843 . 1 1 184 184 ASN CA C 13 54.948 0.300 . 1 . . . . 184 ASN CA . 15706 1 844 . 1 1 184 184 ASN CB C 13 35.879 0.300 . 1 . . . . 184 ASN CB . 15706 1 845 . 1 1 184 184 ASN N N 15 112.631 0.300 . 1 . . . . 184 ASN N . 15706 1 846 . 1 1 185 185 GLN H H 1 7.728 0.020 . 1 . . . . 185 GLN H . 15706 1 847 . 1 1 185 185 GLN C C 13 176.363 0.300 . 1 . . . . 185 GLN C . 15706 1 848 . 1 1 185 185 GLN CA C 13 54.036 0.300 . 1 . . . . 185 GLN CA . 15706 1 849 . 1 1 185 185 GLN CB C 13 29.312 0.300 . 1 . . . . 185 GLN CB . 15706 1 850 . 1 1 185 185 GLN N N 15 115.808 0.300 . 1 . . . . 185 GLN N . 15706 1 851 . 1 1 186 186 ARG H H 1 8.255 0.020 . 1 . . . . 186 ARG H . 15706 1 852 . 1 1 186 186 ARG C C 13 175.737 0.300 . 1 . . . . 186 ARG C . 15706 1 853 . 1 1 186 186 ARG CA C 13 56.450 0.300 . 1 . . . . 186 ARG CA . 15706 1 854 . 1 1 186 186 ARG CB C 13 29.390 0.300 . 1 . . . . 186 ARG CB . 15706 1 855 . 1 1 186 186 ARG N N 15 123.054 0.300 . 1 . . . . 186 ARG N . 15706 1 856 . 1 1 187 187 ALA H H 1 8.054 0.020 . 1 . . . . 187 ALA H . 15706 1 857 . 1 1 187 187 ALA C C 13 179.143 0.300 . 1 . . . . 187 ALA C . 15706 1 858 . 1 1 187 187 ALA CA C 13 50.910 0.300 . 1 . . . . 187 ALA CA . 15706 1 859 . 1 1 187 187 ALA CB C 13 18.807 0.300 . 1 . . . . 187 ALA CB . 15706 1 860 . 1 1 187 187 ALA N N 15 131.093 0.300 . 1 . . . . 187 ALA N . 15706 1 861 . 1 1 188 188 SER H H 1 8.763 0.020 . 1 . . . . 188 SER H . 15706 1 862 . 1 1 188 188 SER C C 13 174.635 0.300 . 1 . . . . 188 SER C . 15706 1 863 . 1 1 188 188 SER CA C 13 61.351 0.300 . 1 . . . . 188 SER CA . 15706 1 864 . 1 1 188 188 SER CB C 13 62.447 0.300 . 1 . . . . 188 SER CB . 15706 1 865 . 1 1 188 188 SER N N 15 119.207 0.300 . 1 . . . . 188 SER N . 15706 1 866 . 1 1 189 189 PHE H H 1 6.080 0.020 . 1 . . . . 189 PHE H . 15706 1 867 . 1 1 189 189 PHE C C 13 176.653 0.300 . 1 . . . . 189 PHE C . 15706 1 868 . 1 1 189 189 PHE CA C 13 55.598 0.300 . 1 . . . . 189 PHE CA . 15706 1 869 . 1 1 189 189 PHE CB C 13 38.837 0.300 . 1 . . . . 189 PHE CB . 15706 1 870 . 1 1 189 189 PHE N N 15 110.744 0.300 . 1 . . . . 189 PHE N . 15706 1 871 . 1 1 190 190 SER H H 1 7.331 0.020 . 1 . . . . 190 SER H . 15706 1 872 . 1 1 190 190 SER C C 13 175.264 0.300 . 1 . . . . 190 SER C . 15706 1 873 . 1 1 190 190 SER CA C 13 60.005 0.300 . 1 . . . . 190 SER CA . 15706 1 874 . 1 1 190 190 SER CB C 13 63.756 0.300 . 1 . . . . 190 SER CB . 15706 1 875 . 1 1 190 190 SER N N 15 119.143 0.300 . 1 . . . . 190 SER N . 15706 1 876 . 1 1 191 191 SER H H 1 8.775 0.020 . 1 . . . . 191 SER H . 15706 1 877 . 1 1 191 191 SER C C 13 170.991 0.300 . 1 . . . . 191 SER C . 15706 1 878 . 1 1 191 191 SER CA C 13 62.193 0.300 . 1 . . . . 191 SER CA . 15706 1 879 . 1 1 191 191 SER CB C 13 64.826 0.300 . 1 . . . . 191 SER CB . 15706 1 880 . 1 1 191 191 SER N N 15 128.361 0.300 . 1 . . . . 191 SER N . 15706 1 881 . 1 1 192 192 ALA H H 1 7.327 0.020 . 1 . . . . 192 ALA H . 15706 1 882 . 1 1 192 192 ALA C C 13 173.788 0.300 . 1 . . . . 192 ALA C . 15706 1 883 . 1 1 192 192 ALA CA C 13 49.938 0.300 . 1 . . . . 192 ALA CA . 15706 1 884 . 1 1 192 192 ALA CB C 13 23.328 0.300 . 1 . . . . 192 ALA CB . 15706 1 885 . 1 1 192 192 ALA N N 15 123.292 0.300 . 1 . . . . 192 ALA N . 15706 1 886 . 1 1 193 193 GLY H H 1 7.839 0.020 . 1 . . . . 193 GLY H . 15706 1 887 . 1 1 193 193 GLY C C 13 173.019 0.300 . 1 . . . . 193 GLY C . 15706 1 888 . 1 1 193 193 GLY CA C 13 44.322 0.300 . 1 . . . . 193 GLY CA . 15706 1 889 . 1 1 193 193 GLY N N 15 108.373 0.300 . 1 . . . . 193 GLY N . 15706 1 890 . 1 1 194 194 SER H H 1 8.427 0.020 . 1 . . . . 194 SER H . 15706 1 891 . 1 1 194 194 SER C C 13 175.215 0.300 . 1 . . . . 194 SER C . 15706 1 892 . 1 1 194 194 SER CA C 13 60.818 0.300 . 1 . . . . 194 SER CA . 15706 1 893 . 1 1 194 194 SER CB C 13 62.651 0.300 . 1 . . . . 194 SER CB . 15706 1 894 . 1 1 194 194 SER N N 15 114.987 0.300 . 1 . . . . 194 SER N . 15706 1 895 . 1 1 195 195 GLU H H 1 9.048 0.020 . 1 . . . . 195 GLU H . 15706 1 896 . 1 1 195 195 GLU C C 13 179.060 0.300 . 1 . . . . 195 GLU C . 15706 1 897 . 1 1 195 195 GLU CA C 13 57.921 0.300 . 1 . . . . 195 GLU CA . 15706 1 898 . 1 1 195 195 GLU CB C 13 29.001 0.300 . 1 . . . . 195 GLU CB . 15706 1 899 . 1 1 195 195 GLU N N 15 117.617 0.300 . 1 . . . . 195 GLU N . 15706 1 900 . 1 1 196 196 LEU H H 1 7.488 0.020 . 1 . . . . 196 LEU H . 15706 1 901 . 1 1 196 196 LEU C C 13 174.856 0.300 . 1 . . . . 196 LEU C . 15706 1 902 . 1 1 196 196 LEU CA C 13 56.531 0.300 . 1 . . . . 196 LEU CA . 15706 1 903 . 1 1 196 196 LEU CB C 13 44.185 0.300 . 1 . . . . 196 LEU CB . 15706 1 904 . 1 1 196 196 LEU N N 15 122.228 0.300 . 1 . . . . 196 LEU N . 15706 1 905 . 1 1 197 197 ASP H H 1 8.193 0.020 . 1 . . . . 197 ASP H . 15706 1 906 . 1 1 197 197 ASP C C 13 175.455 0.300 . 1 . . . . 197 ASP C . 15706 1 907 . 1 1 197 197 ASP CA C 13 57.003 0.300 . 1 . . . . 197 ASP CA . 15706 1 908 . 1 1 197 197 ASP CB C 13 43.533 0.300 . 1 . . . . 197 ASP CB . 15706 1 909 . 1 1 197 197 ASP N N 15 121.300 0.300 . 1 . . . . 197 ASP N . 15706 1 910 . 1 1 198 198 VAL H H 1 8.004 0.020 . 1 . . . . 198 VAL H . 15706 1 911 . 1 1 198 198 VAL C C 13 172.504 0.300 . 1 . . . . 198 VAL C . 15706 1 912 . 1 1 198 198 VAL CA C 13 58.839 0.300 . 1 . . . . 198 VAL CA . 15706 1 913 . 1 1 198 198 VAL CB C 13 37.839 0.300 . 1 . . . . 198 VAL CB . 15706 1 914 . 1 1 198 198 VAL N N 15 109.301 0.300 . 1 . . . . 198 VAL N . 15706 1 915 . 1 1 199 199 MET H H 1 8.554 0.020 . 1 . . . . 199 MET H . 15706 1 916 . 1 1 199 199 MET C C 13 175.169 0.300 . 1 . . . . 199 MET C . 15706 1 917 . 1 1 199 199 MET CA C 13 51.457 0.300 . 1 . . . . 199 MET CA . 15706 1 918 . 1 1 199 199 MET CB C 13 36.893 0.300 . 1 . . . . 199 MET CB . 15706 1 919 . 1 1 199 199 MET N N 15 114.001 0.300 . 1 . . . . 199 MET N . 15706 1 920 . 1 1 200 200 ALA H H 1 8.433 0.020 . 1 . . . . 200 ALA H . 15706 1 921 . 1 1 200 200 ALA C C 13 172.684 0.300 . 1 . . . . 200 ALA C . 15706 1 922 . 1 1 200 200 ALA CA C 13 50.372 0.300 . 1 . . . . 200 ALA CA . 15706 1 923 . 1 1 200 200 ALA CB C 13 21.087 0.300 . 1 . . . . 200 ALA CB . 15706 1 924 . 1 1 200 200 ALA N N 15 118.687 0.300 . 1 . . . . 200 ALA N . 15706 1 925 . 1 1 201 201 PRO C C 13 175.714 0.300 . 1 . . . . 201 PRO C . 15706 1 926 . 1 1 201 201 PRO CA C 13 63.516 0.300 . 1 . . . . 201 PRO CA . 15706 1 927 . 1 1 201 201 PRO CB C 13 31.566 0.300 . 1 . . . . 201 PRO CB . 15706 1 928 . 1 1 202 202 GLY H H 1 8.890 0.020 . 1 . . . . 202 GLY H . 15706 1 929 . 1 1 202 202 GLY C C 13 171.855 0.300 . 1 . . . . 202 GLY C . 15706 1 930 . 1 1 202 202 GLY CA C 13 45.739 0.300 . 1 . . . . 202 GLY CA . 15706 1 931 . 1 1 202 202 GLY N N 15 105.246 0.300 . 1 . . . . 202 GLY N . 15706 1 932 . 1 1 203 203 VAL H H 1 7.152 0.020 . 1 . . . . 203 VAL H . 15706 1 933 . 1 1 203 203 VAL C C 13 175.026 0.300 . 1 . . . . 203 VAL C . 15706 1 934 . 1 1 203 203 VAL CA C 13 61.336 0.300 . 1 . . . . 203 VAL CA . 15706 1 935 . 1 1 203 203 VAL CB C 13 34.597 0.300 . 1 . . . . 203 VAL CB . 15706 1 936 . 1 1 203 203 VAL N N 15 118.713 0.300 . 1 . . . . 203 VAL N . 15706 1 937 . 1 1 204 204 SER H H 1 9.985 0.020 . 1 . . . . 204 SER H . 15706 1 938 . 1 1 204 204 SER C C 13 173.353 0.300 . 1 . . . . 204 SER C . 15706 1 939 . 1 1 204 204 SER CA C 13 58.808 0.300 . 1 . . . . 204 SER CA . 15706 1 940 . 1 1 204 204 SER CB C 13 61.336 0.300 . 1 . . . . 204 SER CB . 15706 1 941 . 1 1 204 204 SER N N 15 125.512 0.300 . 1 . . . . 204 SER N . 15706 1 942 . 1 1 205 205 ILE H H 1 8.630 0.020 . 1 . . . . 205 ILE H . 15706 1 943 . 1 1 205 205 ILE C C 13 175.420 0.300 . 1 . . . . 205 ILE C . 15706 1 944 . 1 1 205 205 ILE CA C 13 57.711 0.300 . 1 . . . . 205 ILE CA . 15706 1 945 . 1 1 205 205 ILE CB C 13 35.596 0.300 . 1 . . . . 205 ILE CB . 15706 1 946 . 1 1 205 205 ILE N N 15 120.742 0.300 . 1 . . . . 205 ILE N . 15706 1 947 . 1 1 206 206 GLN H H 1 8.944 0.020 . 1 . . . . 206 GLN H . 15706 1 948 . 1 1 206 206 GLN C C 13 174.466 0.300 . 1 . . . . 206 GLN C . 15706 1 949 . 1 1 206 206 GLN CA C 13 55.731 0.300 . 1 . . . . 206 GLN CA . 15706 1 950 . 1 1 206 206 GLN CB C 13 28.716 0.300 . 1 . . . . 206 GLN CB . 15706 1 951 . 1 1 206 206 GLN N N 15 132.473 0.300 . 1 . . . . 206 GLN N . 15706 1 952 . 1 1 207 207 SER H H 1 8.348 0.020 . 1 . . . . 207 SER H . 15706 1 953 . 1 1 207 207 SER C C 13 173.909 0.300 . 1 . . . . 207 SER C . 15706 1 954 . 1 1 207 207 SER CA C 13 54.636 0.300 . 1 . . . . 207 SER CA . 15706 1 955 . 1 1 207 207 SER CB C 13 60.172 0.300 . 1 . . . . 207 SER CB . 15706 1 956 . 1 1 207 207 SER N N 15 117.844 0.300 . 1 . . . . 207 SER N . 15706 1 957 . 1 1 208 208 THR H H 1 8.936 0.020 . 1 . . . . 208 THR H . 15706 1 958 . 1 1 208 208 THR C C 13 173.194 0.300 . 1 . . . . 208 THR C . 15706 1 959 . 1 1 208 208 THR CA C 13 60.111 0.300 . 1 . . . . 208 THR CA . 15706 1 960 . 1 1 208 208 THR CB C 13 69.489 0.300 . 1 . . . . 208 THR CB . 15706 1 961 . 1 1 208 208 THR N N 15 111.021 0.300 . 1 . . . . 208 THR N . 15706 1 962 . 1 1 209 209 LEU H H 1 7.925 0.020 . 1 . . . . 209 LEU H . 15706 1 963 . 1 1 209 209 LEU CA C 13 51.411 0.300 . 1 . . . . 209 LEU CA . 15706 1 964 . 1 1 209 209 LEU CB C 13 43.792 0.300 . 1 . . . . 209 LEU CB . 15706 1 965 . 1 1 209 209 LEU N N 15 119.682 0.300 . 1 . . . . 209 LEU N . 15706 1 966 . 1 1 210 210 PRO C C 13 176.706 0.300 . 1 . . . . 210 PRO C . 15706 1 967 . 1 1 210 210 PRO CA C 13 63.571 0.300 . 1 . . . . 210 PRO CA . 15706 1 968 . 1 1 210 210 PRO CB C 13 32.188 0.300 . 1 . . . . 210 PRO CB . 15706 1 969 . 1 1 211 211 GLY H H 1 8.781 0.020 . 1 . . . . 211 GLY H . 15706 1 970 . 1 1 211 211 GLY C C 13 176.590 0.300 . 1 . . . . 211 GLY C . 15706 1 971 . 1 1 211 211 GLY CA C 13 45.311 0.300 . 1 . . . . 211 GLY CA . 15706 1 972 . 1 1 211 211 GLY N N 15 109.904 0.300 . 1 . . . . 211 GLY N . 15706 1 973 . 1 1 212 212 GLY H H 1 7.583 0.020 . 1 . . . . 212 GLY H . 15706 1 974 . 1 1 212 212 GLY C C 13 173.364 0.300 . 1 . . . . 212 GLY C . 15706 1 975 . 1 1 212 212 GLY CA C 13 45.629 0.300 . 1 . . . . 212 GLY CA . 15706 1 976 . 1 1 212 212 GLY N N 15 105.786 0.300 . 1 . . . . 212 GLY N . 15706 1 977 . 1 1 213 213 THR H H 1 6.721 0.020 . 1 . . . . 213 THR H . 15706 1 978 . 1 1 213 213 THR C C 13 173.159 0.300 . 1 . . . . 213 THR C . 15706 1 979 . 1 1 213 213 THR CA C 13 58.667 0.300 . 1 . . . . 213 THR CA . 15706 1 980 . 1 1 213 213 THR CB C 13 70.888 0.300 . 1 . . . . 213 THR CB . 15706 1 981 . 1 1 213 213 THR N N 15 110.049 0.300 . 1 . . . . 213 THR N . 15706 1 982 . 1 1 214 214 TYR H H 1 8.488 0.020 . 1 . . . . 214 TYR H . 15706 1 983 . 1 1 214 214 TYR C C 13 175.076 0.300 . 1 . . . . 214 TYR C . 15706 1 984 . 1 1 214 214 TYR CA C 13 56.614 0.300 . 1 . . . . 214 TYR CA . 15706 1 985 . 1 1 214 214 TYR CB C 13 42.912 0.300 . 1 . . . . 214 TYR CB . 15706 1 986 . 1 1 214 214 TYR N N 15 118.067 0.300 . 1 . . . . 214 TYR N . 15706 1 987 . 1 1 215 215 GLY H H 1 8.784 0.020 . 1 . . . . 215 GLY H . 15706 1 988 . 1 1 215 215 GLY C C 13 171.560 0.300 . 1 . . . . 215 GLY C . 15706 1 989 . 1 1 215 215 GLY CA C 13 46.017 0.300 . 1 . . . . 215 GLY CA . 15706 1 990 . 1 1 215 215 GLY N N 15 108.023 0.300 . 1 . . . . 215 GLY N . 15706 1 991 . 1 1 216 216 ALA H H 1 8.500 0.020 . 1 . . . . 216 ALA H . 15706 1 992 . 1 1 216 216 ALA C C 13 176.467 0.300 . 1 . . . . 216 ALA C . 15706 1 993 . 1 1 216 216 ALA CA C 13 50.404 0.300 . 1 . . . . 216 ALA CA . 15706 1 994 . 1 1 216 216 ALA CB C 13 20.594 0.300 . 1 . . . . 216 ALA CB . 15706 1 995 . 1 1 216 216 ALA N N 15 123.298 0.300 . 1 . . . . 216 ALA N . 15706 1 996 . 1 1 217 217 TYR H H 1 7.764 0.020 . 1 . . . . 217 TYR H . 15706 1 997 . 1 1 217 217 TYR C C 13 174.839 0.300 . 1 . . . . 217 TYR C . 15706 1 998 . 1 1 217 217 TYR CA C 13 53.882 0.300 . 1 . . . . 217 TYR CA . 15706 1 999 . 1 1 217 217 TYR CB C 13 43.949 0.300 . 1 . . . . 217 TYR CB . 15706 1 1000 . 1 1 217 217 TYR N N 15 120.498 0.300 . 1 . . . . 217 TYR N . 15706 1 1001 . 1 1 218 218 ASN H H 1 8.591 0.020 . 1 . . . . 218 ASN H . 15706 1 1002 . 1 1 218 218 ASN C C 13 174.922 0.300 . 1 . . . . 218 ASN C . 15706 1 1003 . 1 1 218 218 ASN CA C 13 50.668 0.300 . 1 . . . . 218 ASN CA . 15706 1 1004 . 1 1 218 218 ASN CB C 13 41.746 0.300 . 1 . . . . 218 ASN CB . 15706 1 1005 . 1 1 218 218 ASN N N 15 115.924 0.300 . 1 . . . . 218 ASN N . 15706 1 1006 . 1 1 219 219 GLY H H 1 9.126 0.020 . 1 . . . . 219 GLY H . 15706 1 1007 . 1 1 219 219 GLY C C 13 176.772 0.300 . 1 . . . . 219 GLY C . 15706 1 1008 . 1 1 219 219 GLY CA C 13 46.882 0.300 . 1 . . . . 219 GLY CA . 15706 1 1009 . 1 1 219 219 GLY N N 15 107.641 0.300 . 1 . . . . 219 GLY N . 15706 1 1010 . 1 1 220 220 THR H H 1 10.319 0.020 . 1 . . . . 220 THR H . 15706 1 1011 . 1 1 220 220 THR C C 13 179.619 0.300 . 1 . . . . 220 THR C . 15706 1 1012 . 1 1 220 220 THR CA C 13 66.969 0.300 . 1 . . . . 220 THR CA . 15706 1 1013 . 1 1 220 220 THR CB C 13 70.111 0.300 . 1 . . . . 220 THR CB . 15706 1 1014 . 1 1 220 220 THR N N 15 116.248 0.300 . 1 . . . . 220 THR N . 15706 1 1015 . 1 1 221 221 SER H H 1 10.901 0.020 . 1 . . . . 221 SER H . 15706 1 1016 . 1 1 221 221 SER C C 13 171.051 0.300 . 1 . . . . 221 SER C . 15706 1 1017 . 1 1 221 221 SER CA C 13 60.980 0.300 . 1 . . . . 221 SER CA . 15706 1 1018 . 1 1 221 221 SER CB C 13 63.816 0.300 . 1 . . . . 221 SER CB . 15706 1 1019 . 1 1 221 221 SER N N 15 122.888 0.300 . 1 . . . . 221 SER N . 15706 1 1020 . 1 1 222 222 MET H H 1 7.588 0.020 . 1 . . . . 222 MET H . 15706 1 1021 . 1 1 222 222 MET C C 13 176.178 0.300 . 1 . . . . 222 MET C . 15706 1 1022 . 1 1 222 222 MET CA C 13 57.749 0.300 . 1 . . . . 222 MET CA . 15706 1 1023 . 1 1 222 222 MET CB C 13 33.019 0.300 . 1 . . . . 222 MET CB . 15706 1 1024 . 1 1 222 222 MET N N 15 124.012 0.300 . 1 . . . . 222 MET N . 15706 1 1025 . 1 1 223 223 ALA H H 1 6.969 0.020 . 1 . . . . 223 ALA H . 15706 1 1026 . 1 1 223 223 ALA C C 13 179.829 0.300 . 1 . . . . 223 ALA C . 15706 1 1027 . 1 1 223 223 ALA CA C 13 54.384 0.300 . 1 . . . . 223 ALA CA . 15706 1 1028 . 1 1 223 223 ALA CB C 13 20.764 0.300 . 1 . . . . 223 ALA CB . 15706 1 1029 . 1 1 223 223 ALA N N 15 123.456 0.300 . 1 . . . . 223 ALA N . 15706 1 1030 . 1 1 224 224 THR H H 1 7.646 0.020 . 1 . . . . 224 THR H . 15706 1 1031 . 1 1 224 224 THR CA C 13 70.113 0.300 . 1 . . . . 224 THR CA . 15706 1 1032 . 1 1 224 224 THR CB C 13 66.833 0.300 . 1 . . . . 224 THR CB . 15706 1 1033 . 1 1 224 224 THR N N 15 115.523 0.300 . 1 . . . . 224 THR N . 15706 1 1034 . 1 1 225 225 PRO C C 13 179.620 0.300 . 1 . . . . 225 PRO C . 15706 1 1035 . 1 1 225 225 PRO CA C 13 64.758 0.300 . 1 . . . . 225 PRO CA . 15706 1 1036 . 1 1 225 225 PRO CB C 13 32.688 0.300 . 1 . . . . 225 PRO CB . 15706 1 1037 . 1 1 226 226 HIS H H 1 7.833 0.020 . 1 . . . . 226 HIS H . 15706 1 1038 . 1 1 226 226 HIS C C 13 177.399 0.300 . 1 . . . . 226 HIS C . 15706 1 1039 . 1 1 226 226 HIS CA C 13 62.337 0.300 . 1 . . . . 226 HIS CA . 15706 1 1040 . 1 1 226 226 HIS CB C 13 28.000 0.300 . 1 . . . . 226 HIS CB . 15706 1 1041 . 1 1 226 226 HIS N N 15 117.123 0.300 . 1 . . . . 226 HIS N . 15706 1 1042 . 1 1 227 227 VAL H H 1 7.542 0.020 . 1 . . . . 227 VAL H . 15706 1 1043 . 1 1 227 227 VAL C C 13 177.263 0.300 . 1 . . . . 227 VAL C . 15706 1 1044 . 1 1 227 227 VAL CA C 13 65.625 0.300 . 1 . . . . 227 VAL CA . 15706 1 1045 . 1 1 227 227 VAL CB C 13 30.936 0.300 . 1 . . . . 227 VAL CB . 15706 1 1046 . 1 1 227 227 VAL N N 15 119.260 0.300 . 1 . . . . 227 VAL N . 15706 1 1047 . 1 1 228 228 ALA H H 1 8.108 0.020 . 1 . . . . 228 ALA H . 15706 1 1048 . 1 1 228 228 ALA C C 13 179.595 0.300 . 1 . . . . 228 ALA C . 15706 1 1049 . 1 1 228 228 ALA CA C 13 55.587 0.300 . 1 . . . . 228 ALA CA . 15706 1 1050 . 1 1 228 228 ALA CB C 13 19.091 0.300 . 1 . . . . 228 ALA CB . 15706 1 1051 . 1 1 228 228 ALA N N 15 122.369 0.300 . 1 . . . . 228 ALA N . 15706 1 1052 . 1 1 229 229 GLY H H 1 8.737 0.020 . 1 . . . . 229 GLY H . 15706 1 1053 . 1 1 229 229 GLY C C 13 174.974 0.300 . 1 . . . . 229 GLY C . 15706 1 1054 . 1 1 229 229 GLY CA C 13 46.966 0.300 . 1 . . . . 229 GLY CA . 15706 1 1055 . 1 1 229 229 GLY N N 15 102.227 0.300 . 1 . . . . 229 GLY N . 15706 1 1056 . 1 1 230 230 ALA H H 1 8.093 0.020 . 1 . . . . 230 ALA H . 15706 1 1057 . 1 1 230 230 ALA C C 13 178.891 0.300 . 1 . . . . 230 ALA C . 15706 1 1058 . 1 1 230 230 ALA CA C 13 55.468 0.300 . 1 . . . . 230 ALA CA . 15706 1 1059 . 1 1 230 230 ALA CB C 13 19.572 0.300 . 1 . . . . 230 ALA CB . 15706 1 1060 . 1 1 230 230 ALA N N 15 125.428 0.300 . 1 . . . . 230 ALA N . 15706 1 1061 . 1 1 231 231 ALA H H 1 8.386 0.020 . 1 . . . . 231 ALA H . 15706 1 1062 . 1 1 231 231 ALA C C 13 177.990 0.300 . 1 . . . . 231 ALA C . 15706 1 1063 . 1 1 231 231 ALA CA C 13 55.193 0.300 . 1 . . . . 231 ALA CA . 15706 1 1064 . 1 1 231 231 ALA CB C 13 18.225 0.300 . 1 . . . . 231 ALA CB . 15706 1 1065 . 1 1 231 231 ALA N N 15 118.680 0.300 . 1 . . . . 231 ALA N . 15706 1 1066 . 1 1 232 232 ALA H H 1 7.619 0.020 . 1 . . . . 232 ALA H . 15706 1 1067 . 1 1 232 232 ALA C C 13 179.213 0.300 . 1 . . . . 232 ALA C . 15706 1 1068 . 1 1 232 232 ALA CA C 13 54.957 0.300 . 1 . . . . 232 ALA CA . 15706 1 1069 . 1 1 232 232 ALA CB C 13 16.840 0.300 . 1 . . . . 232 ALA CB . 15706 1 1070 . 1 1 232 232 ALA N N 15 118.031 0.300 . 1 . . . . 232 ALA N . 15706 1 1071 . 1 1 233 233 LEU H H 1 8.271 0.020 . 1 . . . . 233 LEU H . 15706 1 1072 . 1 1 233 233 LEU C C 13 180.389 0.300 . 1 . . . . 233 LEU C . 15706 1 1073 . 1 1 233 233 LEU CA C 13 57.870 0.300 . 1 . . . . 233 LEU CA . 15706 1 1074 . 1 1 233 233 LEU CB C 13 42.474 0.300 . 1 . . . . 233 LEU CB . 15706 1 1075 . 1 1 233 233 LEU N N 15 117.699 0.300 . 1 . . . . 233 LEU N . 15706 1 1076 . 1 1 234 234 ILE H H 1 8.229 0.020 . 1 . . . . 234 ILE H . 15706 1 1077 . 1 1 234 234 ILE C C 13 177.518 0.300 . 1 . . . . 234 ILE C . 15706 1 1078 . 1 1 234 234 ILE CA C 13 66.597 0.300 . 1 . . . . 234 ILE CA . 15706 1 1079 . 1 1 234 234 ILE CB C 13 37.884 0.300 . 1 . . . . 234 ILE CB . 15706 1 1080 . 1 1 234 234 ILE N N 15 119.232 0.300 . 1 . . . . 234 ILE N . 15706 1 1081 . 1 1 235 235 LEU H H 1 8.188 0.020 . 1 . . . . 235 LEU H . 15706 1 1082 . 1 1 235 235 LEU C C 13 177.602 0.300 . 1 . . . . 235 LEU C . 15706 1 1083 . 1 1 235 235 LEU CA C 13 56.846 0.300 . 1 . . . . 235 LEU CA . 15706 1 1084 . 1 1 235 235 LEU CB C 13 42.455 0.300 . 1 . . . . 235 LEU CB . 15706 1 1085 . 1 1 235 235 LEU N N 15 119.290 0.300 . 1 . . . . 235 LEU N . 15706 1 1086 . 1 1 236 236 SER H H 1 7.768 0.020 . 1 . . . . 236 SER H . 15706 1 1087 . 1 1 236 236 SER C C 13 174.664 0.300 . 1 . . . . 236 SER C . 15706 1 1088 . 1 1 236 236 SER CA C 13 60.392 0.300 . 1 . . . . 236 SER CA . 15706 1 1089 . 1 1 236 236 SER CB C 13 63.952 0.300 . 1 . . . . 236 SER CB . 15706 1 1090 . 1 1 236 236 SER N N 15 112.921 0.300 . 1 . . . . 236 SER N . 15706 1 1091 . 1 1 237 237 LYS H H 1 7.015 0.020 . 1 . . . . 237 LYS H . 15706 1 1092 . 1 1 237 237 LYS C C 13 174.766 0.300 . 1 . . . . 237 LYS C . 15706 1 1093 . 1 1 237 237 LYS CA C 13 57.737 0.300 . 1 . . . . 237 LYS CA . 15706 1 1094 . 1 1 237 237 LYS CB C 13 33.962 0.300 . 1 . . . . 237 LYS CB . 15706 1 1095 . 1 1 237 237 LYS N N 15 123.441 0.300 . 1 . . . . 237 LYS N . 15706 1 1096 . 1 1 238 238 HIS H H 1 7.923 0.020 . 1 . . . . 238 HIS H . 15706 1 1097 . 1 1 238 238 HIS C C 13 173.739 0.300 . 1 . . . . 238 HIS C . 15706 1 1098 . 1 1 238 238 HIS CA C 13 51.806 0.300 . 1 . . . . 238 HIS CA . 15706 1 1099 . 1 1 238 238 HIS CB C 13 26.976 0.300 . 1 . . . . 238 HIS CB . 15706 1 1100 . 1 1 238 238 HIS N N 15 116.717 0.300 . 1 . . . . 238 HIS N . 15706 1 1101 . 1 1 239 239 PRO C C 13 178.881 0.300 . 1 . . . . 239 PRO C . 15706 1 1102 . 1 1 239 239 PRO CA C 13 64.785 0.300 . 1 . . . . 239 PRO CA . 15706 1 1103 . 1 1 239 239 PRO CB C 13 32.110 0.300 . 1 . . . . 239 PRO CB . 15706 1 1104 . 1 1 240 240 THR H H 1 7.803 0.020 . 1 . . . . 240 THR H . 15706 1 1105 . 1 1 240 240 THR C C 13 176.200 0.300 . 1 . . . . 240 THR C . 15706 1 1106 . 1 1 240 240 THR CA C 13 61.589 0.300 . 1 . . . . 240 THR CA . 15706 1 1107 . 1 1 240 240 THR CB C 13 69.489 0.300 . 1 . . . . 240 THR CB . 15706 1 1108 . 1 1 240 240 THR N N 15 106.769 0.300 . 1 . . . . 240 THR N . 15706 1 1109 . 1 1 241 241 TRP H H 1 8.044 0.020 . 1 . . . . 241 TRP H . 15706 1 1110 . 1 1 241 241 TRP C C 13 176.585 0.300 . 1 . . . . 241 TRP C . 15706 1 1111 . 1 1 241 241 TRP CA C 13 56.438 0.300 . 1 . . . . 241 TRP CA . 15706 1 1112 . 1 1 241 241 TRP CB C 13 29.480 0.300 . 1 . . . . 241 TRP CB . 15706 1 1113 . 1 1 241 241 TRP N N 15 125.681 0.300 . 1 . . . . 241 TRP N . 15706 1 1114 . 1 1 242 242 THR H H 1 8.710 0.020 . 1 . . . . 242 THR H . 15706 1 1115 . 1 1 242 242 THR C C 13 175.506 0.300 . 1 . . . . 242 THR C . 15706 1 1116 . 1 1 242 242 THR CA C 13 59.948 0.300 . 1 . . . . 242 THR CA . 15706 1 1117 . 1 1 242 242 THR CB C 13 72.160 0.300 . 1 . . . . 242 THR CB . 15706 1 1118 . 1 1 242 242 THR N N 15 111.228 0.300 . 1 . . . . 242 THR N . 15706 1 1119 . 1 1 243 243 ASN H H 1 9.259 0.020 . 1 . . . . 243 ASN H . 15706 1 1120 . 1 1 243 243 ASN C C 13 177.212 0.300 . 1 . . . . 243 ASN C . 15706 1 1121 . 1 1 243 243 ASN CA C 13 56.155 0.300 . 1 . . . . 243 ASN CA . 15706 1 1122 . 1 1 243 243 ASN CB C 13 35.589 0.300 . 1 . . . . 243 ASN CB . 15706 1 1123 . 1 1 243 243 ASN N N 15 118.663 0.300 . 1 . . . . 243 ASN N . 15706 1 1124 . 1 1 244 244 ALA H H 1 7.428 0.020 . 1 . . . . 244 ALA H . 15706 1 1125 . 1 1 244 244 ALA C C 13 179.484 0.300 . 1 . . . . 244 ALA C . 15706 1 1126 . 1 1 244 244 ALA CA C 13 54.801 0.300 . 1 . . . . 244 ALA CA . 15706 1 1127 . 1 1 244 244 ALA CB C 13 18.277 0.300 . 1 . . . . 244 ALA CB . 15706 1 1128 . 1 1 244 244 ALA N N 15 125.346 0.300 . 1 . . . . 244 ALA N . 15706 1 1129 . 1 1 245 245 GLN H H 1 7.587 0.020 . 1 . . . . 245 GLN H . 15706 1 1130 . 1 1 245 245 GLN C C 13 178.501 0.300 . 1 . . . . 245 GLN C . 15706 1 1131 . 1 1 245 245 GLN CA C 13 58.910 0.300 . 1 . . . . 245 GLN CA . 15706 1 1132 . 1 1 245 245 GLN CB C 13 29.087 0.300 . 1 . . . . 245 GLN CB . 15706 1 1133 . 1 1 245 245 GLN N N 15 119.928 0.300 . 1 . . . . 245 GLN N . 15706 1 1134 . 1 1 246 246 VAL H H 1 8.429 0.020 . 1 . . . . 246 VAL H . 15706 1 1135 . 1 1 246 246 VAL C C 13 177.263 0.300 . 1 . . . . 246 VAL C . 15706 1 1136 . 1 1 246 246 VAL CA C 13 67.492 0.300 . 1 . . . . 246 VAL CA . 15706 1 1137 . 1 1 246 246 VAL CB C 13 31.854 0.300 . 1 . . . . 246 VAL CB . 15706 1 1138 . 1 1 246 246 VAL N N 15 118.691 0.300 . 1 . . . . 246 VAL N . 15706 1 1139 . 1 1 247 247 ARG H H 1 8.337 0.020 . 1 . . . . 247 ARG H . 15706 1 1140 . 1 1 247 247 ARG C C 13 177.060 0.300 . 1 . . . . 247 ARG C . 15706 1 1141 . 1 1 247 247 ARG CA C 13 60.725 0.300 . 1 . . . . 247 ARG CA . 15706 1 1142 . 1 1 247 247 ARG CB C 13 29.001 0.300 . 1 . . . . 247 ARG CB . 15706 1 1143 . 1 1 247 247 ARG N N 15 117.627 0.300 . 1 . . . . 247 ARG N . 15706 1 1144 . 1 1 248 248 ASP H H 1 8.355 0.020 . 1 . . . . 248 ASP H . 15706 1 1145 . 1 1 248 248 ASP C C 13 180.060 0.300 . 1 . . . . 248 ASP C . 15706 1 1146 . 1 1 248 248 ASP CA C 13 57.391 0.300 . 1 . . . . 248 ASP CA . 15706 1 1147 . 1 1 248 248 ASP CB C 13 41.262 0.300 . 1 . . . . 248 ASP CB . 15706 1 1148 . 1 1 248 248 ASP N N 15 118.487 0.300 . 1 . . . . 248 ASP N . 15706 1 1149 . 1 1 249 249 ARG H H 1 8.165 0.020 . 1 . . . . 249 ARG H . 15706 1 1150 . 1 1 249 249 ARG C C 13 179.654 0.300 . 1 . . . . 249 ARG C . 15706 1 1151 . 1 1 249 249 ARG CA C 13 57.408 0.300 . 1 . . . . 249 ARG CA . 15706 1 1152 . 1 1 249 249 ARG CB C 13 29.402 0.300 . 1 . . . . 249 ARG CB . 15706 1 1153 . 1 1 249 249 ARG N N 15 118.438 0.300 . 1 . . . . 249 ARG N . 15706 1 1154 . 1 1 250 250 LEU H H 1 8.270 0.020 . 1 . . . . 250 LEU H . 15706 1 1155 . 1 1 250 250 LEU C C 13 178.874 0.300 . 1 . . . . 250 LEU C . 15706 1 1156 . 1 1 250 250 LEU CA C 13 57.533 0.300 . 1 . . . . 250 LEU CA . 15706 1 1157 . 1 1 250 250 LEU CB C 13 42.612 0.300 . 1 . . . . 250 LEU CB . 15706 1 1158 . 1 1 250 250 LEU N N 15 121.204 0.300 . 1 . . . . 250 LEU N . 15706 1 1159 . 1 1 251 251 GLU H H 1 8.385 0.020 . 1 . . . . 251 GLU H . 15706 1 1160 . 1 1 251 251 GLU C C 13 178.765 0.300 . 1 . . . . 251 GLU C . 15706 1 1161 . 1 1 251 251 GLU CA C 13 60.440 0.300 . 1 . . . . 251 GLU CA . 15706 1 1162 . 1 1 251 251 GLU CB C 13 30.245 0.300 . 1 . . . . 251 GLU CB . 15706 1 1163 . 1 1 251 251 GLU N N 15 115.560 0.300 . 1 . . . . 251 GLU N . 15706 1 1164 . 1 1 252 252 SER H H 1 8.774 0.020 . 1 . . . . 252 SER H . 15706 1 1165 . 1 1 252 252 SER C C 13 175.754 0.300 . 1 . . . . 252 SER C . 15706 1 1166 . 1 1 252 252 SER CA C 13 61.418 0.300 . 1 . . . . 252 SER CA . 15706 1 1167 . 1 1 252 252 SER CB C 13 63.430 0.300 . 1 . . . . 252 SER CB . 15706 1 1168 . 1 1 252 252 SER N N 15 112.986 0.300 . 1 . . . . 252 SER N . 15706 1 1169 . 1 1 253 253 THR H H 1 7.091 0.020 . 1 . . . . 253 THR H . 15706 1 1170 . 1 1 253 253 THR C C 13 172.974 0.300 . 1 . . . . 253 THR C . 15706 1 1171 . 1 1 253 253 THR CA C 13 60.994 0.300 . 1 . . . . 253 THR CA . 15706 1 1172 . 1 1 253 253 THR CB C 13 69.489 0.300 . 1 . . . . 253 THR CB . 15706 1 1173 . 1 1 253 253 THR N N 15 107.434 0.300 . 1 . . . . 253 THR N . 15706 1 1174 . 1 1 254 254 ALA H H 1 6.648 0.020 . 1 . . . . 254 ALA H . 15706 1 1175 . 1 1 254 254 ALA C C 13 177.585 0.300 . 1 . . . . 254 ALA C . 15706 1 1176 . 1 1 254 254 ALA CA C 13 52.476 0.300 . 1 . . . . 254 ALA CA . 15706 1 1177 . 1 1 254 254 ALA CB C 13 17.921 0.300 . 1 . . . . 254 ALA CB . 15706 1 1178 . 1 1 254 254 ALA N N 15 125.186 0.300 . 1 . . . . 254 ALA N . 15706 1 1179 . 1 1 255 255 THR H H 1 9.509 0.020 . 1 . . . . 255 THR H . 15706 1 1180 . 1 1 255 255 THR C C 13 173.544 0.300 . 1 . . . . 255 THR C . 15706 1 1181 . 1 1 255 255 THR CA C 13 62.193 0.300 . 1 . . . . 255 THR CA . 15706 1 1182 . 1 1 255 255 THR CB C 13 70.033 0.300 . 1 . . . . 255 THR CB . 15706 1 1183 . 1 1 255 255 THR N N 15 121.325 0.300 . 1 . . . . 255 THR N . 15706 1 1184 . 1 1 256 256 TYR H H 1 8.801 0.020 . 1 . . . . 256 TYR H . 15706 1 1185 . 1 1 256 256 TYR C C 13 175.551 0.300 . 1 . . . . 256 TYR C . 15706 1 1186 . 1 1 256 256 TYR CA C 13 60.092 0.300 . 1 . . . . 256 TYR CA . 15706 1 1187 . 1 1 256 256 TYR CB C 13 38.482 0.300 . 1 . . . . 256 TYR CB . 15706 1 1188 . 1 1 256 256 TYR N N 15 130.784 0.300 . 1 . . . . 256 TYR N . 15706 1 1189 . 1 1 257 257 LEU H H 1 7.633 0.020 . 1 . . . . 257 LEU H . 15706 1 1190 . 1 1 257 257 LEU C C 13 174.754 0.300 . 1 . . . . 257 LEU C . 15706 1 1191 . 1 1 257 257 LEU CA C 13 53.530 0.300 . 1 . . . . 257 LEU CA . 15706 1 1192 . 1 1 257 257 LEU CB C 13 45.522 0.300 . 1 . . . . 257 LEU CB . 15706 1 1193 . 1 1 257 257 LEU N N 15 125.800 0.300 . 1 . . . . 257 LEU N . 15706 1 1194 . 1 1 258 258 GLY H H 1 5.216 0.020 . 1 . . . . 258 GLY H . 15706 1 1195 . 1 1 258 258 GLY C C 13 170.923 0.300 . 1 . . . . 258 GLY C . 15706 1 1196 . 1 1 258 258 GLY CA C 13 44.061 0.300 . 1 . . . . 258 GLY CA . 15706 1 1197 . 1 1 258 258 GLY N N 15 103.447 0.300 . 1 . . . . 258 GLY N . 15706 1 1198 . 1 1 259 259 ASN H H 1 8.385 0.020 . 1 . . . . 259 ASN H . 15706 1 1199 . 1 1 259 259 ASN C C 13 177.890 0.300 . 1 . . . . 259 ASN C . 15706 1 1200 . 1 1 259 259 ASN CA C 13 54.742 0.300 . 1 . . . . 259 ASN CA . 15706 1 1201 . 1 1 259 259 ASN CB C 13 40.192 0.300 . 1 . . . . 259 ASN CB . 15706 1 1202 . 1 1 259 259 ASN N N 15 115.929 0.300 . 1 . . . . 259 ASN N . 15706 1 1203 . 1 1 260 260 SER H H 1 9.125 0.020 . 1 . . . . 260 SER H . 15706 1 1204 . 1 1 260 260 SER C C 13 176.585 0.300 . 1 . . . . 260 SER C . 15706 1 1205 . 1 1 260 260 SER CA C 13 60.856 0.300 . 1 . . . . 260 SER CA . 15706 1 1206 . 1 1 260 260 SER CB C 13 63.058 0.300 . 1 . . . . 260 SER CB . 15706 1 1207 . 1 1 260 260 SER N N 15 125.070 0.300 . 1 . . . . 260 SER N . 15706 1 1208 . 1 1 261 261 PHE H H 1 8.567 0.020 . 1 . . . . 261 PHE H . 15706 1 1209 . 1 1 261 261 PHE C C 13 172.771 0.300 . 1 . . . . 261 PHE C . 15706 1 1210 . 1 1 261 261 PHE CA C 13 61.277 0.300 . 1 . . . . 261 PHE CA . 15706 1 1211 . 1 1 261 261 PHE CB C 13 39.624 0.300 . 1 . . . . 261 PHE CB . 15706 1 1212 . 1 1 261 261 PHE N N 15 126.586 0.300 . 1 . . . . 261 PHE N . 15706 1 1213 . 1 1 262 262 TYR H H 1 7.150 0.020 . 1 . . . . 262 TYR H . 15706 1 1214 . 1 1 262 262 TYR C C 13 176.331 0.300 . 1 . . . . 262 TYR C . 15706 1 1215 . 1 1 262 262 TYR CA C 13 58.612 0.300 . 1 . . . . 262 TYR CA . 15706 1 1216 . 1 1 262 262 TYR CB C 13 41.435 0.300 . 1 . . . . 262 TYR CB . 15706 1 1217 . 1 1 262 262 TYR N N 15 108.741 0.300 . 1 . . . . 262 TYR N . 15706 1 1218 . 1 1 263 263 TYR H H 1 7.756 0.020 . 1 . . . . 263 TYR H . 15706 1 1219 . 1 1 263 263 TYR C C 13 175.386 0.300 . 1 . . . . 263 TYR C . 15706 1 1220 . 1 1 263 263 TYR CA C 13 58.451 0.300 . 1 . . . . 263 TYR CA . 15706 1 1221 . 1 1 263 263 TYR CB C 13 42.368 0.300 . 1 . . . . 263 TYR CB . 15706 1 1222 . 1 1 263 263 TYR N N 15 114.067 0.300 . 1 . . . . 263 TYR N . 15706 1 1223 . 1 1 264 264 GLY H H 1 8.434 0.020 . 1 . . . . 264 GLY H . 15706 1 1224 . 1 1 264 264 GLY C C 13 175.331 0.300 . 1 . . . . 264 GLY C . 15706 1 1225 . 1 1 264 264 GLY CA C 13 46.082 0.300 . 1 . . . . 264 GLY CA . 15706 1 1226 . 1 1 264 264 GLY N N 15 109.197 0.300 . 1 . . . . 264 GLY N . 15706 1 1227 . 1 1 265 265 LYS H H 1 8.976 0.020 . 1 . . . . 265 LYS H . 15706 1 1228 . 1 1 265 265 LYS C C 13 175.718 0.300 . 1 . . . . 265 LYS C . 15706 1 1229 . 1 1 265 265 LYS CA C 13 57.082 0.300 . 1 . . . . 265 LYS CA . 15706 1 1230 . 1 1 265 265 LYS CB C 13 32.311 0.300 . 1 . . . . 265 LYS CB . 15706 1 1231 . 1 1 265 265 LYS N N 15 124.611 0.300 . 1 . . . . 265 LYS N . 15706 1 1232 . 1 1 266 266 GLY H H 1 7.952 0.020 . 1 . . . . 266 GLY H . 15706 1 1233 . 1 1 266 266 GLY C C 13 173.242 0.300 . 1 . . . . 266 GLY C . 15706 1 1234 . 1 1 266 266 GLY CA C 13 43.375 0.300 . 1 . . . . 266 GLY CA . 15706 1 1235 . 1 1 266 266 GLY N N 15 103.793 0.300 . 1 . . . . 266 GLY N . 15706 1 1236 . 1 1 267 267 LEU H H 1 8.215 0.020 . 1 . . . . 267 LEU H . 15706 1 1237 . 1 1 267 267 LEU C C 13 176.839 0.300 . 1 . . . . 267 LEU C . 15706 1 1238 . 1 1 267 267 LEU CA C 13 53.788 0.300 . 1 . . . . 267 LEU CA . 15706 1 1239 . 1 1 267 267 LEU CB C 13 45.208 0.300 . 1 . . . . 267 LEU CB . 15706 1 1240 . 1 1 267 267 LEU N N 15 121.547 0.300 . 1 . . . . 267 LEU N . 15706 1 1241 . 1 1 268 268 ILE H H 1 7.238 0.020 . 1 . . . . 268 ILE H . 15706 1 1242 . 1 1 268 268 ILE C C 13 173.962 0.300 . 1 . . . . 268 ILE C . 15706 1 1243 . 1 1 268 268 ILE CA C 13 63.149 0.300 . 1 . . . . 268 ILE CA . 15706 1 1244 . 1 1 268 268 ILE CB C 13 39.337 0.300 . 1 . . . . 268 ILE CB . 15706 1 1245 . 1 1 268 268 ILE N N 15 117.621 0.300 . 1 . . . . 268 ILE N . 15706 1 1246 . 1 1 269 269 ASN H H 1 9.571 0.020 . 1 . . . . 269 ASN H . 15706 1 1247 . 1 1 269 269 ASN C C 13 175.658 0.300 . 1 . . . . 269 ASN C . 15706 1 1248 . 1 1 269 269 ASN CA C 13 51.210 0.300 . 1 . . . . 269 ASN CA . 15706 1 1249 . 1 1 269 269 ASN CB C 13 39.231 0.300 . 1 . . . . 269 ASN CB . 15706 1 1250 . 1 1 269 269 ASN N N 15 120.497 0.300 . 1 . . . . 269 ASN N . 15706 1 1251 . 1 1 270 270 VAL H H 1 8.832 0.020 . 1 . . . . 270 VAL H . 15706 1 1252 . 1 1 270 270 VAL C C 13 175.364 0.300 . 1 . . . . 270 VAL C . 15706 1 1253 . 1 1 270 270 VAL CA C 13 65.162 0.300 . 1 . . . . 270 VAL CA . 15706 1 1254 . 1 1 270 270 VAL CB C 13 32.498 0.300 . 1 . . . . 270 VAL CB . 15706 1 1255 . 1 1 270 270 VAL N N 15 120.286 0.300 . 1 . . . . 270 VAL N . 15706 1 1256 . 1 1 271 271 GLN H H 1 7.262 0.020 . 1 . . . . 271 GLN H . 15706 1 1257 . 1 1 271 271 GLN C C 13 178.009 0.300 . 1 . . . . 271 GLN C . 15706 1 1258 . 1 1 271 271 GLN CA C 13 59.369 0.300 . 1 . . . . 271 GLN CA . 15706 1 1259 . 1 1 271 271 GLN CB C 13 27.986 0.300 . 1 . . . . 271 GLN CB . 15706 1 1260 . 1 1 271 271 GLN N N 15 120.503 0.300 . 1 . . . . 271 GLN N . 15706 1 1261 . 1 1 272 272 ALA H H 1 7.377 0.020 . 1 . . . . 272 ALA H . 15706 1 1262 . 1 1 272 272 ALA C C 13 180.824 0.300 . 1 . . . . 272 ALA C . 15706 1 1263 . 1 1 272 272 ALA CA C 13 53.788 0.300 . 1 . . . . 272 ALA CA . 15706 1 1264 . 1 1 272 272 ALA CB C 13 18.821 0.300 . 1 . . . . 272 ALA CB . 15706 1 1265 . 1 1 272 272 ALA N N 15 121.156 0.300 . 1 . . . . 272 ALA N . 15706 1 1266 . 1 1 273 273 ALA H H 1 8.375 0.020 . 1 . . . . 273 ALA H . 15706 1 1267 . 1 1 273 273 ALA C C 13 178.331 0.300 . 1 . . . . 273 ALA C . 15706 1 1268 . 1 1 273 273 ALA CA C 13 55.201 0.300 . 1 . . . . 273 ALA CA . 15706 1 1269 . 1 1 273 273 ALA CB C 13 19.415 0.300 . 1 . . . . 273 ALA CB . 15706 1 1270 . 1 1 273 273 ALA N N 15 120.402 0.300 . 1 . . . . 273 ALA N . 15706 1 1271 . 1 1 274 274 ALA H H 1 7.849 0.020 . 1 . . . . 274 ALA H . 15706 1 1272 . 1 1 274 274 ALA C C 13 177.399 0.300 . 1 . . . . 274 ALA C . 15706 1 1273 . 1 1 274 274 ALA CA C 13 51.634 0.300 . 1 . . . . 274 ALA CA . 15706 1 1274 . 1 1 274 274 ALA CB C 13 20.609 0.300 . 1 . . . . 274 ALA CB . 15706 1 1275 . 1 1 274 274 ALA N N 15 114.175 0.300 . 1 . . . . 274 ALA N . 15706 1 1276 . 1 1 275 275 GLN H H 1 7.379 0.020 . 1 . . . . 275 GLN H . 15706 1 1277 . 1 1 275 275 GLN C C 13 180.515 0.300 . 1 . . . . 275 GLN C . 15706 1 1278 . 1 1 275 275 GLN CA C 13 59.677 0.300 . 1 . . . . 275 GLN CA . 15706 1 1279 . 1 1 275 275 GLN CB C 13 29.559 0.300 . 1 . . . . 275 GLN CB . 15706 1 1280 . 1 1 275 275 GLN N N 15 126.091 0.300 . 1 . . . . 275 GLN N . 15706 1 stop_ save_