data_26815 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26815 _Entry.Title ; Backbone and Methyl chemical shift assignments for Hsc70-1-386 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-14 _Entry.Accession_date 2016-06-14 _Entry.Last_release_date 2016-10-13 _Entry.Original_release_date 2016-10-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; 1H,15N,13C and methyl assignments for the nucleotide binding domain of human Hsc70(residues 1-386) in the ADP state, pH 7.2, 30 0C. ; _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.ORCID _Entry_author.Entry_ID 1 Erik Zuiderweg . R. . . 26815 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26815 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1211 26815 '15N chemical shifts' 341 26815 '1H chemical shifts' 804 26815 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-13 . original BMRB . 26815 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26815 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27699616 _Citation.Full_citation . _Citation.Title ; Backbone and methyl resonance assignments of the 42 kDa human Hsc70 nucleotide binding domain in the ADP state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Erik Zuiderweg . R. . . 26815 1 2 Jason Gestwicki . E. . . 26815 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'assignment description' 26815 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 26815 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24022834 _Citation.Full_citation . _Citation.Title ; EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue . _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 179 _Citation.Page_last 191 _Citation.Year 2013 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Erik Zuiderweg . R. . . 26815 2 2 Ireena Bagai . . . . 26815 2 3 Paolo Rossi . . . . 26815 2 4 Eric Bertelsen . B. . . 26815 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Methods 26815 2 stop_ save_ save_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode citation_3 _Citation.Entry_ID 26815 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15232009 _Citation.Full_citation . _Citation.Title ; The 70-kDa heat shock protein chaperone nucleotide-binding domain in solution unveiled as a molecular machine that can reorient its functional subdomains. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 101 _Citation.Journal_issue 28 _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 10272 _Citation.Page_last 10277 _Citation.Year 2004 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yongbo Zhang . . . . 26815 3 2 Erik Zuiderweg . R. . . 26815 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Structural Information' 26815 3 stop_ save_ save_citation_4 _Citation.Sf_category citations _Citation.Sf_framecode citation_4 _Citation.Entry_ID 26815 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21708173 _Citation.Full_citation . _Citation.Title ; Allosteric drugs: the interaction of antitumor compound MKT-077 with human Hsp70 chaperones. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 411 _Citation.Journal_issue 3 _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 614 _Citation.Page_last 632 _Citation.Year 2011 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aikaterini Rousaki . . . . 26815 4 2 Yoshi Miyata . . . . 26815 4 3 Unger Jinwal . K. . . 26815 4 4 Chad Dickey . A. . . 26815 4 5 Jason Gestwicki . E. . . 26815 4 6 Erik Zuiderweg . R. . . 26815 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26815 _Assembly.ID 1 _Assembly.Name 'HSC70-NBD / ADP' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 42456 _Assembly.Enzyme_commission_number 3.6.4.10 _Assembly.Details 'Hsc70 Nucleotide binding domain 1-386 in complex with ADP' _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 Protein 1 $Hsc-70 A . yes native no no . 'catalytic domain' . 26815 1 2 ADP 2 $entity_ADP A . no native no no . . . 26815 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3HSC . . X-ray 1.93 'same domain same state' . 26815 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Molecular chaperone, assists in protein refolding, protein trafficking and protein degradation' 26815 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hsc-70 _Entity.Sf_category entity _Entity.Sf_framecode Hsc-70 _Entity.Entry_ID 26815 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hsc-70 _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 ; MSKGPAVGIDLGTTYSCVGV FQHGKVEIIANDQGNRTTPS YVAFTDTERLIGDAAKNQVA MNPTNTVFDAKRLIGRRFDD AVVQSDMKHWPFMVVNDAGR PKVQVEYKGETKSFYPEEVS SMVLTKMKEIAEAYLGKTVT NAVVTVPAYFNDSQRQATKD AGTIAGLNVLRIINEPTAAA IAYGLDKKVGAERNVLIFDL GGGTFDVSILTIEDGIFEVK STAGDTHLGGEDFDNRMVNH FIAEFKRKHKKDISENKRAV RRLRTACERAKRTLSSSTQA SIEIDSLYEGIDFYTSITRA RFEELNADLFRGTLDPVEKA LRDAKLDKSQIHDIVLVGGS TRIPKIQKLLQDFFNGKELN KSINPDEAVAYGAAVQAAIL SGDKSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-386 _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 386 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Heat shock cognate 71 kDa protein (HSPA8) Nucleotide Binding domain human' _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 42456 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UniProtKB P11142 . HSP7C_HUMAN . . . . . . . . . . . . . . 26815 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Molecular chaperone, assists in protein refolding, protein trafficking and protein degradation' 26815 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26815 1 2 . SER . 26815 1 3 . LYS . 26815 1 4 . GLY . 26815 1 5 . PRO . 26815 1 6 . ALA . 26815 1 7 . VAL . 26815 1 8 . GLY . 26815 1 9 . ILE . 26815 1 10 . ASP . 26815 1 11 . LEU . 26815 1 12 . GLY . 26815 1 13 . THR . 26815 1 14 . THR . 26815 1 15 . TYR . 26815 1 16 . SER . 26815 1 17 . CYS . 26815 1 18 . VAL . 26815 1 19 . GLY . 26815 1 20 . VAL . 26815 1 21 . PHE . 26815 1 22 . GLN . 26815 1 23 . HIS . 26815 1 24 . GLY . 26815 1 25 . LYS . 26815 1 26 . VAL . 26815 1 27 . GLU . 26815 1 28 . ILE . 26815 1 29 . ILE . 26815 1 30 . ALA . 26815 1 31 . ASN . 26815 1 32 . ASP . 26815 1 33 . GLN . 26815 1 34 . GLY . 26815 1 35 . ASN . 26815 1 36 . ARG . 26815 1 37 . THR . 26815 1 38 . THR . 26815 1 39 . PRO . 26815 1 40 . SER . 26815 1 41 . TYR . 26815 1 42 . VAL . 26815 1 43 . ALA . 26815 1 44 . PHE . 26815 1 45 . THR . 26815 1 46 . ASP . 26815 1 47 . THR . 26815 1 48 . GLU . 26815 1 49 . ARG . 26815 1 50 . LEU . 26815 1 51 . ILE . 26815 1 52 . GLY . 26815 1 53 . ASP . 26815 1 54 . ALA . 26815 1 55 . ALA . 26815 1 56 . LYS . 26815 1 57 . ASN . 26815 1 58 . GLN . 26815 1 59 . VAL . 26815 1 60 . ALA . 26815 1 61 . MET . 26815 1 62 . ASN . 26815 1 63 . PRO . 26815 1 64 . THR . 26815 1 65 . ASN . 26815 1 66 . THR . 26815 1 67 . VAL . 26815 1 68 . PHE . 26815 1 69 . ASP . 26815 1 70 . ALA . 26815 1 71 . LYS . 26815 1 72 . ARG . 26815 1 73 . LEU . 26815 1 74 . ILE . 26815 1 75 . GLY . 26815 1 76 . ARG . 26815 1 77 . ARG . 26815 1 78 . PHE . 26815 1 79 . ASP . 26815 1 80 . ASP . 26815 1 81 . ALA . 26815 1 82 . VAL . 26815 1 83 . VAL . 26815 1 84 . GLN . 26815 1 85 . SER . 26815 1 86 . ASP . 26815 1 87 . MET . 26815 1 88 . LYS . 26815 1 89 . HIS . 26815 1 90 . TRP . 26815 1 91 . PRO . 26815 1 92 . PHE . 26815 1 93 . MET . 26815 1 94 . VAL . 26815 1 95 . VAL . 26815 1 96 . ASN . 26815 1 97 . ASP . 26815 1 98 . ALA . 26815 1 99 . GLY . 26815 1 100 . ARG . 26815 1 101 . PRO . 26815 1 102 . LYS . 26815 1 103 . VAL . 26815 1 104 . GLN . 26815 1 105 . VAL . 26815 1 106 . GLU . 26815 1 107 . TYR . 26815 1 108 . LYS . 26815 1 109 . GLY . 26815 1 110 . GLU . 26815 1 111 . THR . 26815 1 112 . LYS . 26815 1 113 . SER . 26815 1 114 . PHE . 26815 1 115 . TYR . 26815 1 116 . PRO . 26815 1 117 . GLU . 26815 1 118 . GLU . 26815 1 119 . VAL . 26815 1 120 . SER . 26815 1 121 . SER . 26815 1 122 . MET . 26815 1 123 . VAL . 26815 1 124 . LEU . 26815 1 125 . THR . 26815 1 126 . LYS . 26815 1 127 . MET . 26815 1 128 . LYS . 26815 1 129 . GLU . 26815 1 130 . ILE . 26815 1 131 . ALA . 26815 1 132 . GLU . 26815 1 133 . ALA . 26815 1 134 . TYR . 26815 1 135 . LEU . 26815 1 136 . GLY . 26815 1 137 . LYS . 26815 1 138 . THR . 26815 1 139 . VAL . 26815 1 140 . THR . 26815 1 141 . ASN . 26815 1 142 . ALA . 26815 1 143 . VAL . 26815 1 144 . VAL . 26815 1 145 . THR . 26815 1 146 . VAL . 26815 1 147 . PRO . 26815 1 148 . ALA . 26815 1 149 . TYR . 26815 1 150 . PHE . 26815 1 151 . ASN . 26815 1 152 . ASP . 26815 1 153 . SER . 26815 1 154 . GLN . 26815 1 155 . ARG . 26815 1 156 . GLN . 26815 1 157 . ALA . 26815 1 158 . THR . 26815 1 159 . LYS . 26815 1 160 . ASP . 26815 1 161 . ALA . 26815 1 162 . GLY . 26815 1 163 . THR . 26815 1 164 . ILE . 26815 1 165 . ALA . 26815 1 166 . GLY . 26815 1 167 . LEU . 26815 1 168 . ASN . 26815 1 169 . VAL . 26815 1 170 . LEU . 26815 1 171 . ARG . 26815 1 172 . ILE . 26815 1 173 . ILE . 26815 1 174 . ASN . 26815 1 175 . GLU . 26815 1 176 . PRO . 26815 1 177 . THR . 26815 1 178 . ALA . 26815 1 179 . ALA . 26815 1 180 . ALA . 26815 1 181 . ILE . 26815 1 182 . ALA . 26815 1 183 . TYR . 26815 1 184 . GLY . 26815 1 185 . LEU . 26815 1 186 . ASP . 26815 1 187 . LYS . 26815 1 188 . LYS . 26815 1 189 . VAL . 26815 1 190 . GLY . 26815 1 191 . ALA . 26815 1 192 . GLU . 26815 1 193 . ARG . 26815 1 194 . ASN . 26815 1 195 . VAL . 26815 1 196 . LEU . 26815 1 197 . ILE . 26815 1 198 . PHE . 26815 1 199 . ASP . 26815 1 200 . LEU . 26815 1 201 . GLY . 26815 1 202 . GLY . 26815 1 203 . GLY . 26815 1 204 . THR . 26815 1 205 . PHE . 26815 1 206 . ASP . 26815 1 207 . VAL . 26815 1 208 . SER . 26815 1 209 . ILE . 26815 1 210 . LEU . 26815 1 211 . THR . 26815 1 212 . ILE . 26815 1 213 . GLU . 26815 1 214 . ASP . 26815 1 215 . GLY . 26815 1 216 . ILE . 26815 1 217 . PHE . 26815 1 218 . GLU . 26815 1 219 . VAL . 26815 1 220 . LYS . 26815 1 221 . SER . 26815 1 222 . THR . 26815 1 223 . ALA . 26815 1 224 . GLY . 26815 1 225 . ASP . 26815 1 226 . THR . 26815 1 227 . HIS . 26815 1 228 . LEU . 26815 1 229 . GLY . 26815 1 230 . GLY . 26815 1 231 . GLU . 26815 1 232 . ASP . 26815 1 233 . PHE . 26815 1 234 . ASP . 26815 1 235 . ASN . 26815 1 236 . ARG . 26815 1 237 . MET . 26815 1 238 . VAL . 26815 1 239 . ASN . 26815 1 240 . HIS . 26815 1 241 . PHE . 26815 1 242 . ILE . 26815 1 243 . ALA . 26815 1 244 . GLU . 26815 1 245 . PHE . 26815 1 246 . LYS . 26815 1 247 . ARG . 26815 1 248 . LYS . 26815 1 249 . HIS . 26815 1 250 . LYS . 26815 1 251 . LYS . 26815 1 252 . ASP . 26815 1 253 . ILE . 26815 1 254 . SER . 26815 1 255 . GLU . 26815 1 256 . ASN . 26815 1 257 . LYS . 26815 1 258 . ARG . 26815 1 259 . ALA . 26815 1 260 . VAL . 26815 1 261 . ARG . 26815 1 262 . ARG . 26815 1 263 . LEU . 26815 1 264 . ARG . 26815 1 265 . THR . 26815 1 266 . ALA . 26815 1 267 . CYS . 26815 1 268 . GLU . 26815 1 269 . ARG . 26815 1 270 . ALA . 26815 1 271 . LYS . 26815 1 272 . ARG . 26815 1 273 . THR . 26815 1 274 . LEU . 26815 1 275 . SER . 26815 1 276 . SER . 26815 1 277 . SER . 26815 1 278 . THR . 26815 1 279 . GLN . 26815 1 280 . ALA . 26815 1 281 . SER . 26815 1 282 . ILE . 26815 1 283 . GLU . 26815 1 284 . ILE . 26815 1 285 . ASP . 26815 1 286 . SER . 26815 1 287 . LEU . 26815 1 288 . TYR . 26815 1 289 . GLU . 26815 1 290 . GLY . 26815 1 291 . ILE . 26815 1 292 . ASP . 26815 1 293 . PHE . 26815 1 294 . TYR . 26815 1 295 . THR . 26815 1 296 . SER . 26815 1 297 . ILE . 26815 1 298 . THR . 26815 1 299 . ARG . 26815 1 300 . ALA . 26815 1 301 . ARG . 26815 1 302 . PHE . 26815 1 303 . GLU . 26815 1 304 . GLU . 26815 1 305 . LEU . 26815 1 306 . ASN . 26815 1 307 . ALA . 26815 1 308 . ASP . 26815 1 309 . LEU . 26815 1 310 . PHE . 26815 1 311 . ARG . 26815 1 312 . GLY . 26815 1 313 . THR . 26815 1 314 . LEU . 26815 1 315 . ASP . 26815 1 316 . PRO . 26815 1 317 . VAL . 26815 1 318 . GLU . 26815 1 319 . LYS . 26815 1 320 . ALA . 26815 1 321 . LEU . 26815 1 322 . ARG . 26815 1 323 . ASP . 26815 1 324 . ALA . 26815 1 325 . LYS . 26815 1 326 . LEU . 26815 1 327 . ASP . 26815 1 328 . LYS . 26815 1 329 . SER . 26815 1 330 . GLN . 26815 1 331 . ILE . 26815 1 332 . HIS . 26815 1 333 . ASP . 26815 1 334 . ILE . 26815 1 335 . VAL . 26815 1 336 . LEU . 26815 1 337 . VAL . 26815 1 338 . GLY . 26815 1 339 . GLY . 26815 1 340 . SER . 26815 1 341 . THR . 26815 1 342 . ARG . 26815 1 343 . ILE . 26815 1 344 . PRO . 26815 1 345 . LYS . 26815 1 346 . ILE . 26815 1 347 . GLN . 26815 1 348 . LYS . 26815 1 349 . LEU . 26815 1 350 . LEU . 26815 1 351 . GLN . 26815 1 352 . ASP . 26815 1 353 . PHE . 26815 1 354 . PHE . 26815 1 355 . ASN . 26815 1 356 . GLY . 26815 1 357 . LYS . 26815 1 358 . GLU . 26815 1 359 . LEU . 26815 1 360 . ASN . 26815 1 361 . LYS . 26815 1 362 . SER . 26815 1 363 . ILE . 26815 1 364 . ASN . 26815 1 365 . PRO . 26815 1 366 . ASP . 26815 1 367 . GLU . 26815 1 368 . ALA . 26815 1 369 . VAL . 26815 1 370 . ALA . 26815 1 371 . TYR . 26815 1 372 . GLY . 26815 1 373 . ALA . 26815 1 374 . ALA . 26815 1 375 . VAL . 26815 1 376 . GLN . 26815 1 377 . ALA . 26815 1 378 . ALA . 26815 1 379 . ILE . 26815 1 380 . LEU . 26815 1 381 . SER . 26815 1 382 . GLY . 26815 1 383 . ASP . 26815 1 384 . LYS . 26815 1 385 . SER . 26815 1 386 . GLU . 26815 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26815 1 . SER 2 2 26815 1 . LYS 3 3 26815 1 . GLY 4 4 26815 1 . PRO 5 5 26815 1 . ALA 6 6 26815 1 . VAL 7 7 26815 1 . GLY 8 8 26815 1 . ILE 9 9 26815 1 . ASP 10 10 26815 1 . LEU 11 11 26815 1 . GLY 12 12 26815 1 . THR 13 13 26815 1 . THR 14 14 26815 1 . TYR 15 15 26815 1 . SER 16 16 26815 1 . CYS 17 17 26815 1 . VAL 18 18 26815 1 . GLY 19 19 26815 1 . VAL 20 20 26815 1 . PHE 21 21 26815 1 . GLN 22 22 26815 1 . HIS 23 23 26815 1 . GLY 24 24 26815 1 . LYS 25 25 26815 1 . VAL 26 26 26815 1 . GLU 27 27 26815 1 . ILE 28 28 26815 1 . ILE 29 29 26815 1 . ALA 30 30 26815 1 . ASN 31 31 26815 1 . ASP 32 32 26815 1 . GLN 33 33 26815 1 . GLY 34 34 26815 1 . ASN 35 35 26815 1 . ARG 36 36 26815 1 . THR 37 37 26815 1 . THR 38 38 26815 1 . PRO 39 39 26815 1 . SER 40 40 26815 1 . TYR 41 41 26815 1 . VAL 42 42 26815 1 . ALA 43 43 26815 1 . PHE 44 44 26815 1 . THR 45 45 26815 1 . ASP 46 46 26815 1 . THR 47 47 26815 1 . GLU 48 48 26815 1 . ARG 49 49 26815 1 . LEU 50 50 26815 1 . ILE 51 51 26815 1 . GLY 52 52 26815 1 . ASP 53 53 26815 1 . ALA 54 54 26815 1 . ALA 55 55 26815 1 . LYS 56 56 26815 1 . ASN 57 57 26815 1 . GLN 58 58 26815 1 . VAL 59 59 26815 1 . ALA 60 60 26815 1 . MET 61 61 26815 1 . ASN 62 62 26815 1 . PRO 63 63 26815 1 . THR 64 64 26815 1 . ASN 65 65 26815 1 . THR 66 66 26815 1 . VAL 67 67 26815 1 . PHE 68 68 26815 1 . ASP 69 69 26815 1 . ALA 70 70 26815 1 . LYS 71 71 26815 1 . ARG 72 72 26815 1 . LEU 73 73 26815 1 . ILE 74 74 26815 1 . GLY 75 75 26815 1 . ARG 76 76 26815 1 . ARG 77 77 26815 1 . PHE 78 78 26815 1 . ASP 79 79 26815 1 . ASP 80 80 26815 1 . ALA 81 81 26815 1 . VAL 82 82 26815 1 . VAL 83 83 26815 1 . GLN 84 84 26815 1 . SER 85 85 26815 1 . ASP 86 86 26815 1 . MET 87 87 26815 1 . LYS 88 88 26815 1 . HIS 89 89 26815 1 . TRP 90 90 26815 1 . PRO 91 91 26815 1 . PHE 92 92 26815 1 . MET 93 93 26815 1 . VAL 94 94 26815 1 . VAL 95 95 26815 1 . ASN 96 96 26815 1 . ASP 97 97 26815 1 . ALA 98 98 26815 1 . GLY 99 99 26815 1 . ARG 100 100 26815 1 . PRO 101 101 26815 1 . LYS 102 102 26815 1 . VAL 103 103 26815 1 . GLN 104 104 26815 1 . VAL 105 105 26815 1 . GLU 106 106 26815 1 . TYR 107 107 26815 1 . LYS 108 108 26815 1 . GLY 109 109 26815 1 . GLU 110 110 26815 1 . THR 111 111 26815 1 . LYS 112 112 26815 1 . SER 113 113 26815 1 . PHE 114 114 26815 1 . TYR 115 115 26815 1 . PRO 116 116 26815 1 . GLU 117 117 26815 1 . GLU 118 118 26815 1 . VAL 119 119 26815 1 . SER 120 120 26815 1 . SER 121 121 26815 1 . MET 122 122 26815 1 . VAL 123 123 26815 1 . LEU 124 124 26815 1 . THR 125 125 26815 1 . LYS 126 126 26815 1 . MET 127 127 26815 1 . LYS 128 128 26815 1 . GLU 129 129 26815 1 . ILE 130 130 26815 1 . ALA 131 131 26815 1 . GLU 132 132 26815 1 . ALA 133 133 26815 1 . TYR 134 134 26815 1 . LEU 135 135 26815 1 . GLY 136 136 26815 1 . LYS 137 137 26815 1 . THR 138 138 26815 1 . VAL 139 139 26815 1 . THR 140 140 26815 1 . ASN 141 141 26815 1 . ALA 142 142 26815 1 . VAL 143 143 26815 1 . VAL 144 144 26815 1 . THR 145 145 26815 1 . VAL 146 146 26815 1 . PRO 147 147 26815 1 . ALA 148 148 26815 1 . TYR 149 149 26815 1 . PHE 150 150 26815 1 . ASN 151 151 26815 1 . ASP 152 152 26815 1 . SER 153 153 26815 1 . GLN 154 154 26815 1 . ARG 155 155 26815 1 . GLN 156 156 26815 1 . ALA 157 157 26815 1 . THR 158 158 26815 1 . LYS 159 159 26815 1 . ASP 160 160 26815 1 . ALA 161 161 26815 1 . GLY 162 162 26815 1 . THR 163 163 26815 1 . ILE 164 164 26815 1 . ALA 165 165 26815 1 . GLY 166 166 26815 1 . LEU 167 167 26815 1 . ASN 168 168 26815 1 . VAL 169 169 26815 1 . LEU 170 170 26815 1 . ARG 171 171 26815 1 . ILE 172 172 26815 1 . ILE 173 173 26815 1 . ASN 174 174 26815 1 . GLU 175 175 26815 1 . PRO 176 176 26815 1 . THR 177 177 26815 1 . ALA 178 178 26815 1 . ALA 179 179 26815 1 . ALA 180 180 26815 1 . ILE 181 181 26815 1 . ALA 182 182 26815 1 . TYR 183 183 26815 1 . GLY 184 184 26815 1 . LEU 185 185 26815 1 . ASP 186 186 26815 1 . LYS 187 187 26815 1 . LYS 188 188 26815 1 . VAL 189 189 26815 1 . GLY 190 190 26815 1 . ALA 191 191 26815 1 . GLU 192 192 26815 1 . ARG 193 193 26815 1 . ASN 194 194 26815 1 . VAL 195 195 26815 1 . LEU 196 196 26815 1 . ILE 197 197 26815 1 . PHE 198 198 26815 1 . ASP 199 199 26815 1 . LEU 200 200 26815 1 . GLY 201 201 26815 1 . GLY 202 202 26815 1 . GLY 203 203 26815 1 . THR 204 204 26815 1 . PHE 205 205 26815 1 . ASP 206 206 26815 1 . VAL 207 207 26815 1 . SER 208 208 26815 1 . ILE 209 209 26815 1 . LEU 210 210 26815 1 . THR 211 211 26815 1 . ILE 212 212 26815 1 . GLU 213 213 26815 1 . ASP 214 214 26815 1 . GLY 215 215 26815 1 . ILE 216 216 26815 1 . PHE 217 217 26815 1 . GLU 218 218 26815 1 . VAL 219 219 26815 1 . LYS 220 220 26815 1 . SER 221 221 26815 1 . THR 222 222 26815 1 . ALA 223 223 26815 1 . GLY 224 224 26815 1 . ASP 225 225 26815 1 . THR 226 226 26815 1 . HIS 227 227 26815 1 . LEU 228 228 26815 1 . GLY 229 229 26815 1 . GLY 230 230 26815 1 . GLU 231 231 26815 1 . ASP 232 232 26815 1 . PHE 233 233 26815 1 . ASP 234 234 26815 1 . ASN 235 235 26815 1 . ARG 236 236 26815 1 . MET 237 237 26815 1 . VAL 238 238 26815 1 . ASN 239 239 26815 1 . HIS 240 240 26815 1 . PHE 241 241 26815 1 . ILE 242 242 26815 1 . ALA 243 243 26815 1 . GLU 244 244 26815 1 . PHE 245 245 26815 1 . LYS 246 246 26815 1 . ARG 247 247 26815 1 . LYS 248 248 26815 1 . HIS 249 249 26815 1 . LYS 250 250 26815 1 . LYS 251 251 26815 1 . ASP 252 252 26815 1 . ILE 253 253 26815 1 . SER 254 254 26815 1 . GLU 255 255 26815 1 . ASN 256 256 26815 1 . LYS 257 257 26815 1 . ARG 258 258 26815 1 . ALA 259 259 26815 1 . VAL 260 260 26815 1 . ARG 261 261 26815 1 . ARG 262 262 26815 1 . LEU 263 263 26815 1 . ARG 264 264 26815 1 . THR 265 265 26815 1 . ALA 266 266 26815 1 . CYS 267 267 26815 1 . GLU 268 268 26815 1 . ARG 269 269 26815 1 . ALA 270 270 26815 1 . LYS 271 271 26815 1 . ARG 272 272 26815 1 . THR 273 273 26815 1 . LEU 274 274 26815 1 . SER 275 275 26815 1 . SER 276 276 26815 1 . SER 277 277 26815 1 . THR 278 278 26815 1 . GLN 279 279 26815 1 . ALA 280 280 26815 1 . SER 281 281 26815 1 . ILE 282 282 26815 1 . GLU 283 283 26815 1 . ILE 284 284 26815 1 . ASP 285 285 26815 1 . SER 286 286 26815 1 . LEU 287 287 26815 1 . TYR 288 288 26815 1 . GLU 289 289 26815 1 . GLY 290 290 26815 1 . ILE 291 291 26815 1 . ASP 292 292 26815 1 . PHE 293 293 26815 1 . TYR 294 294 26815 1 . THR 295 295 26815 1 . SER 296 296 26815 1 . ILE 297 297 26815 1 . THR 298 298 26815 1 . ARG 299 299 26815 1 . ALA 300 300 26815 1 . ARG 301 301 26815 1 . PHE 302 302 26815 1 . GLU 303 303 26815 1 . GLU 304 304 26815 1 . LEU 305 305 26815 1 . ASN 306 306 26815 1 . ALA 307 307 26815 1 . ASP 308 308 26815 1 . LEU 309 309 26815 1 . PHE 310 310 26815 1 . ARG 311 311 26815 1 . GLY 312 312 26815 1 . THR 313 313 26815 1 . LEU 314 314 26815 1 . ASP 315 315 26815 1 . PRO 316 316 26815 1 . VAL 317 317 26815 1 . GLU 318 318 26815 1 . LYS 319 319 26815 1 . ALA 320 320 26815 1 . LEU 321 321 26815 1 . ARG 322 322 26815 1 . ASP 323 323 26815 1 . ALA 324 324 26815 1 . LYS 325 325 26815 1 . LEU 326 326 26815 1 . ASP 327 327 26815 1 . LYS 328 328 26815 1 . SER 329 329 26815 1 . GLN 330 330 26815 1 . ILE 331 331 26815 1 . HIS 332 332 26815 1 . ASP 333 333 26815 1 . ILE 334 334 26815 1 . VAL 335 335 26815 1 . LEU 336 336 26815 1 . VAL 337 337 26815 1 . GLY 338 338 26815 1 . GLY 339 339 26815 1 . SER 340 340 26815 1 . THR 341 341 26815 1 . ARG 342 342 26815 1 . ILE 343 343 26815 1 . PRO 344 344 26815 1 . LYS 345 345 26815 1 . ILE 346 346 26815 1 . GLN 347 347 26815 1 . LYS 348 348 26815 1 . LEU 349 349 26815 1 . LEU 350 350 26815 1 . GLN 351 351 26815 1 . ASP 352 352 26815 1 . PHE 353 353 26815 1 . PHE 354 354 26815 1 . ASN 355 355 26815 1 . GLY 356 356 26815 1 . LYS 357 357 26815 1 . GLU 358 358 26815 1 . LEU 359 359 26815 1 . ASN 360 360 26815 1 . LYS 361 361 26815 1 . SER 362 362 26815 1 . ILE 363 363 26815 1 . ASN 364 364 26815 1 . PRO 365 365 26815 1 . ASP 366 366 26815 1 . GLU 367 367 26815 1 . ALA 368 368 26815 1 . VAL 369 369 26815 1 . ALA 370 370 26815 1 . TYR 371 371 26815 1 . GLY 372 372 26815 1 . ALA 373 373 26815 1 . ALA 374 374 26815 1 . VAL 375 375 26815 1 . GLN 376 376 26815 1 . ALA 377 377 26815 1 . ALA 378 378 26815 1 . ILE 379 379 26815 1 . LEU 380 380 26815 1 . SER 381 381 26815 1 . GLY 382 382 26815 1 . ASP 383 383 26815 1 . LYS 384 384 26815 1 . SER 385 385 26815 1 . GLU 386 386 26815 1 stop_ save_ save_entity_ADP _Entity.Sf_category entity _Entity.Sf_framecode entity_ADP _Entity.Entry_ID 26815 _Entity.ID 2 _Entity.BMRB_code ADP _Entity.Name entity_ADP _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 427.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 26815 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 26815 2 ADP 'Three letter code' 26815 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ADP $chem_comp_ADP 26815 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26815 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Hsc-70 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26815 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 26815 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Hsc-70 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'pET T7' . . 'Original plasmid obtained from D.B. Mckay' 26815 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 26815 _Chem_comp.ID ADP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADP _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 27 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; _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 A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 26815 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 26815 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 26815 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 26815 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 26815 ADP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 26815 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26815 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26815 ADP "adenosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 26815 ADP 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 PB PB PB PB . P . . N 0 . . . 1 no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 26815 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 26815 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 26815 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 26815 ADP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 26815 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 26815 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 26815 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 26815 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 26815 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 26815 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 26815 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 26815 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 26815 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 26815 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 26815 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 26815 ADP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 26815 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 26815 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 26815 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 26815 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 26815 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 26815 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 26815 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 26815 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 26815 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 26815 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 26815 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 26815 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 26815 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 26815 ADP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 26815 ADP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 26815 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 26815 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 26815 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 26815 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 26815 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 26815 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 26815 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 26815 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 26815 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 26815 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 26815 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 26815 ADP 2 . SING PB O2B no N 2 . 26815 ADP 3 . SING PB O3B no N 3 . 26815 ADP 4 . SING PB O3A no N 4 . 26815 ADP 5 . SING O2B HOB2 no N 5 . 26815 ADP 6 . SING O3B HOB3 no N 6 . 26815 ADP 7 . DOUB PA O1A no N 7 . 26815 ADP 8 . SING PA O2A no N 8 . 26815 ADP 9 . SING PA O3A no N 9 . 26815 ADP 10 . SING PA O5' no N 10 . 26815 ADP 11 . SING O2A HOA2 no N 11 . 26815 ADP 12 . SING O5' C5' no N 12 . 26815 ADP 13 . SING C5' C4' no N 13 . 26815 ADP 14 . SING C5' H5'1 no N 14 . 26815 ADP 15 . SING C5' H5'2 no N 15 . 26815 ADP 16 . SING C4' O4' no N 16 . 26815 ADP 17 . SING C4' C3' no N 17 . 26815 ADP 18 . SING C4' H4' no N 18 . 26815 ADP 19 . SING O4' C1' no N 19 . 26815 ADP 20 . SING C3' O3' no N 20 . 26815 ADP 21 . SING C3' C2' no N 21 . 26815 ADP 22 . SING C3' H3' no N 22 . 26815 ADP 23 . SING O3' HO3' no N 23 . 26815 ADP 24 . SING C2' O2' no N 24 . 26815 ADP 25 . SING C2' C1' no N 25 . 26815 ADP 26 . SING C2' H2' no N 26 . 26815 ADP 27 . SING O2' HO2' no N 27 . 26815 ADP 28 . SING C1' N9 no N 28 . 26815 ADP 29 . SING C1' H1' no N 29 . 26815 ADP 30 . SING N9 C8 yes N 30 . 26815 ADP 31 . SING N9 C4 yes N 31 . 26815 ADP 32 . DOUB C8 N7 yes N 32 . 26815 ADP 33 . SING C8 H8 no N 33 . 26815 ADP 34 . SING N7 C5 yes N 34 . 26815 ADP 35 . SING C5 C6 yes N 35 . 26815 ADP 36 . DOUB C5 C4 yes N 36 . 26815 ADP 37 . SING C6 N6 no N 37 . 26815 ADP 38 . DOUB C6 N1 yes N 38 . 26815 ADP 39 . SING N6 HN61 no N 39 . 26815 ADP 40 . SING N6 HN62 no N 40 . 26815 ADP 41 . SING N1 C2 yes N 41 . 26815 ADP 42 . DOUB C2 N3 yes N 42 . 26815 ADP 43 . SING C2 H2 no N 43 . 26815 ADP 44 . SING N3 C4 yes N 44 . 26815 ADP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26815 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Triple labeled' _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 HSC70-NBD '[U-13C; U-15N; U-2H]' . . 1 $Hsc-70 . . 250 . . uM 25 . . . 26815 1 2 ADP 'natural abundance' . . 2 $entity_ADP . . 5 . . mM 0.1 . . . 26815 1 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 26815 1 4 TRIS 'natural abundance' . . . . . . 25 . . mM 0.1 . . . 26815 1 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 26815 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 26815 1 7 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 26815 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26815 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Methyl labeled' _Sample.Aggregate_sample_number 2 _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 HSC70-NBD '[U-13C; U-15N; U-2H, 13CH ILVAMY]' . . 1 $Hsc-70 . . 160 . . uM . . . . 26815 2 2 ADP 'natural abundance' . . 2 $entity_ADP . . 5 . . mM . . . . 26815 2 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26815 2 4 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 26815 2 5 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26815 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26815 2 7 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26815 2 8 PMSF 'natural abundance' . . . . . . 0.1 . . % . . . . 26815 2 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 26815 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'sample 1' 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' 50 . mM 26815 1 pH 7.2 . pH 26815 1 pressure 1 . atm 26815 1 temperature 303 . K 26815 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 26815 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'sample 2' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 26815 2 temperature 303 . K 26815 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26815 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26815 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26815 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26815 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26815 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26815 2 'peak picking' 26815 2 stop_ save_ save_EZ-ASSIGN _Software.Sf_category software _Software.Sf_framecode EZ-ASSIGN _Software.Entry_ID 26815 _Software.ID 3 _Software.Name EZ-ASSIGN _Software.Version 4.1 _Software.Details ; J Biomol NMR. 2013 Oct;57(2):179-91. EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data. Zuiderweg ER, Bagai I, Rossi P, Bertelsen EB. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'University of Michigan' 'Ann Arbor, MI 48109, USA' zuiderwe@umich.edu 26815 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26815 3 stop_ save_ save_NOE-Calculations _Software.Sf_category software _Software.Sf_framecode NOE-Calculations _Software.Entry_ID 26815 _Software.ID 4 _Software.Name NOE-Calculations _Software.Version . _Software.Details 'Full spin diffusion calculations of large protein NOEs for NMR assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Erik Zuiderweg' 'University of Michigan' Zuiderwe@umich.edu 26815 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26815 4 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 26815 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Backbone assignment data for sample 1' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26815 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Backbone and methyl assignment data for ILVAMY labeled sample 2.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26815 _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 . 800 'Backbone assignment data for sample 1' . . 26815 1 2 spectrometer_2 Bruker Avance . 600 'Backbone and methyl assignment data for ILVAMY labeled sample 2.' . . 26815 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 26815 _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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26815 1 2 '3D HNCA TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26815 1 3 '3D HN(CO)CA TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26815 1 4 '3D HNCO TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26815 1 5 '3D HN(CA)CO TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26815 1 6 '3D HNCACB TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26815 1 7 '3D HN(CO)CACB TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26815 1 8 '2D 1H-15N HSQC TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 9 '3D HNCA TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 10 '3D HN(CO)CA TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 11 '3D HNCACB TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 12 '3D HNCO TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 13 '3D HN(CA)CO TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 14 '3D HnCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 15 '3D hNCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 16 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 17 '3D H-NH NOESY-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 18 '3D C-NH HMQC-NOESY-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 19 '3D H-CH HMQC-NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 1 20 '3D C-CH HMQC-NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26815 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 26815 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Chemical shifts were referenced to H2O' 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.81 na indirect 0.2514642 . . . . . 26815 1 H 1 water protons . . . . ppm 4.81 internal direct 1.0 . . . . . 26815 1 N 15 water protons . . . . ppm 4.81 na indirect 0.10134 . . . . . 26815 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 26815 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'By assignment' _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 2 '3D HNCA TROSY' . . . 26815 1 3 '3D HN(CO)CA TROSY' . . . 26815 1 4 '3D HNCO TROSY' . . . 26815 1 5 '3D HN(CA)CO TROSY' . . . 26815 1 6 '3D HNCACB TROSY' . . . 26815 1 7 '3D HN(CO)CACB TROSY' . . . 26815 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 26815 1 3 $EZ-ASSIGN . . 26815 1 4 $NOE-Calculations . . 26815 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 SER H H 1 7.615 0.02 . 1 . . . . 2 SER H . 26815 1 2 . 1 1 2 2 SER C C 13 177.200 0.15 . 1 . . . . 2 SER C . 26815 1 3 . 1 1 2 2 SER CA C 13 60.343 0.15 . 1 . . . . 2 SER CA . 26815 1 4 . 1 1 2 2 SER CB C 13 64.091 0.15 . 1 . . . . 2 SER CB . 26815 1 5 . 1 1 3 3 LYS H H 1 8.220 0.02 . 1 . . . . 3 LYS H . 26815 1 6 . 1 1 3 3 LYS C C 13 177.000 0.15 . 1 . . . . 3 LYS C . 26815 1 7 . 1 1 3 3 LYS CA C 13 55.612 0.15 . 1 . . . . 3 LYS CA . 26815 1 8 . 1 1 3 3 LYS CB C 13 32.073 0.15 . 1 . . . . 3 LYS CB . 26815 1 9 . 1 1 3 3 LYS N N 15 122.583 0.1 . 1 . . . . 3 LYS N . 26815 1 10 . 1 1 4 4 GLY H H 1 8.382 0.02 . 1 . . . . 4 GLY H . 26815 1 11 . 1 1 5 5 PRO C C 13 175.849 0.15 . 1 . . . . 5 PRO C . 26815 1 12 . 1 1 5 5 PRO CA C 13 62.319 0.15 . 1 . . . . 5 PRO CA . 26815 1 13 . 1 1 5 5 PRO CB C 13 31.402 0.15 . 1 . . . . 5 PRO CB . 26815 1 14 . 1 1 6 6 ALA H H 1 8.578 0.02 . 1 . . . . 6 ALA H . 26815 1 15 . 1 1 6 6 ALA C C 13 177.160 0.15 . 1 . . . . 6 ALA C . 26815 1 16 . 1 1 6 6 ALA CA C 13 50.146 0.15 . 1 . . . . 6 ALA CA . 26815 1 17 . 1 1 6 6 ALA CB C 13 20.530 0.15 . 1 . . . . 6 ALA CB . 26815 1 18 . 1 1 6 6 ALA N N 15 123.949 0.1 . 1 . . . . 6 ALA N . 26815 1 19 . 1 1 7 7 VAL H H 1 7.904 0.02 . 1 . . . . 7 VAL H . 26815 1 20 . 1 1 7 7 VAL C C 13 174.264 0.15 . 1 . . . . 7 VAL C . 26815 1 21 . 1 1 7 7 VAL CA C 13 58.601 0.15 . 1 . . . . 7 VAL CA . 26815 1 22 . 1 1 7 7 VAL CB C 13 33.202 0.15 . 1 . . . . 7 VAL CB . 26815 1 23 . 1 1 7 7 VAL N N 15 111.887 0.1 . 1 . . . . 7 VAL N . 26815 1 24 . 1 1 8 8 GLY H H 1 8.829 0.02 . 1 . . . . 8 GLY H . 26815 1 25 . 1 1 8 8 GLY C C 13 171.334 0.15 . 1 . . . . 8 GLY C . 26815 1 26 . 1 1 8 8 GLY CA C 13 43.499 0.15 . 1 . . . . 8 GLY CA . 26815 1 27 . 1 1 8 8 GLY N N 15 107.507 0.1 . 1 . . . . 8 GLY N . 26815 1 28 . 1 1 9 9 ILE H H 1 8.860 0.02 . 1 . . . . 9 ILE H . 26815 1 29 . 1 1 9 9 ILE C C 13 173.321 0.15 . 1 . . . . 9 ILE C . 26815 1 30 . 1 1 9 9 ILE CA C 13 60.232 0.15 . 1 . . . . 9 ILE CA . 26815 1 31 . 1 1 9 9 ILE CB C 13 40.915 0.15 . 1 . . . . 9 ILE CB . 26815 1 32 . 1 1 9 9 ILE N N 15 123.500 0.1 . 1 . . . . 9 ILE N . 26815 1 33 . 1 1 10 10 ASP H H 1 8.438 0.02 . 1 . . . . 10 ASP H . 26815 1 34 . 1 1 10 10 ASP C C 13 175.261 0.15 . 1 . . . . 10 ASP C . 26815 1 35 . 1 1 10 10 ASP CA C 13 50.908 0.15 . 1 . . . . 10 ASP CA . 26815 1 36 . 1 1 10 10 ASP CB C 13 41.681 0.15 . 1 . . . . 10 ASP CB . 26815 1 37 . 1 1 10 10 ASP N N 15 124.969 0.1 . 1 . . . . 10 ASP N . 26815 1 38 . 1 1 11 11 LEU H H 1 6.571 0.02 . 1 . . . . 11 LEU H . 26815 1 39 . 1 1 11 11 LEU C C 13 174.712 0.15 . 1 . . . . 11 LEU C . 26815 1 40 . 1 1 11 11 LEU CA C 13 51.522 0.15 . 1 . . . . 11 LEU CA . 26815 1 41 . 1 1 11 11 LEU CB C 13 41.598 0.15 . 1 . . . . 11 LEU CB . 26815 1 42 . 1 1 11 11 LEU N N 15 130.059 0.1 . 1 . . . . 11 LEU N . 26815 1 43 . 1 1 12 12 GLY H H 1 7.381 0.02 . 1 . . . . 12 GLY H . 26815 1 44 . 1 1 12 12 GLY CA C 13 45.095 0.15 . 1 . . . . 12 GLY CA . 26815 1 45 . 1 1 12 12 GLY N N 15 114.570 0.1 . 1 . . . . 12 GLY N . 26815 1 46 . 1 1 15 15 TYR H H 1 8.774 0.02 . 1 . . . . 15 TYR H . 26815 1 47 . 1 1 15 15 TYR CA C 13 53.721 0.15 . 1 . . . . 15 TYR CA . 26815 1 48 . 1 1 15 15 TYR CB C 13 45.791 0.15 . 1 . . . . 15 TYR CB . 26815 1 49 . 1 1 15 15 TYR N N 15 120.240 0.1 . 1 . . . . 15 TYR N . 26815 1 50 . 1 1 16 16 SER H H 1 8.580 0.02 . 1 . . . . 16 SER H . 26815 1 51 . 1 1 16 16 SER C C 13 172.138 0.15 . 1 . . . . 16 SER C . 26815 1 52 . 1 1 16 16 SER CA C 13 57.333 0.15 . 1 . . . . 16 SER CA . 26815 1 53 . 1 1 16 16 SER CB C 13 65.298 0.15 . 1 . . . . 16 SER CB . 26815 1 54 . 1 1 16 16 SER N N 15 125.014 0.1 . 1 . . . . 16 SER N . 26815 1 55 . 1 1 17 17 CYS H H 1 8.789 0.02 . 1 . . . . 17 CYS H . 26815 1 56 . 1 1 17 17 CYS C C 13 170.749 0.15 . 1 . . . . 17 CYS C . 26815 1 57 . 1 1 17 17 CYS CA C 13 57.697 0.15 . 1 . . . . 17 CYS CA . 26815 1 58 . 1 1 17 17 CYS CB C 13 29.434 0.15 . 1 . . . . 17 CYS CB . 26815 1 59 . 1 1 17 17 CYS N N 15 124.652 0.1 . 1 . . . . 17 CYS N . 26815 1 60 . 1 1 18 18 VAL H H 1 9.504 0.02 . 1 . . . . 18 VAL H . 26815 1 61 . 1 1 18 18 VAL C C 13 171.442 0.15 . 1 . . . . 18 VAL C . 26815 1 62 . 1 1 18 18 VAL CA C 13 57.746 0.15 . 1 . . . . 18 VAL CA . 26815 1 63 . 1 1 18 18 VAL CB C 13 34.619 0.15 . 1 . . . . 18 VAL CB . 26815 1 64 . 1 1 18 18 VAL N N 15 129.860 0.1 . 1 . . . . 18 VAL N . 26815 1 65 . 1 1 19 19 GLY H H 1 8.937 0.02 . 1 . . . . 19 GLY H . 26815 1 66 . 1 1 19 19 GLY C C 13 171.277 0.15 . 1 . . . . 19 GLY C . 26815 1 67 . 1 1 19 19 GLY CA C 13 43.313 0.15 . 1 . . . . 19 GLY CA . 26815 1 68 . 1 1 19 19 GLY N N 15 111.885 0.1 . 1 . . . . 19 GLY N . 26815 1 69 . 1 1 20 20 VAL H H 1 8.897 0.02 . 1 . . . . 20 VAL H . 26815 1 70 . 1 1 20 20 VAL C C 13 171.281 0.15 . 1 . . . . 20 VAL C . 26815 1 71 . 1 1 20 20 VAL CA C 13 58.883 0.15 . 1 . . . . 20 VAL CA . 26815 1 72 . 1 1 20 20 VAL CB C 13 34.967 0.15 . 1 . . . . 20 VAL CB . 26815 1 73 . 1 1 20 20 VAL N N 15 118.065 0.1 . 1 . . . . 20 VAL N . 26815 1 74 . 1 1 21 21 PHE H H 1 9.419 0.02 . 1 . . . . 21 PHE H . 26815 1 75 . 1 1 21 21 PHE C C 13 174.444 0.15 . 1 . . . . 21 PHE C . 26815 1 76 . 1 1 21 21 PHE CA C 13 56.009 0.15 . 1 . . . . 21 PHE CA . 26815 1 77 . 1 1 21 21 PHE CB C 13 39.381 0.15 . 1 . . . . 21 PHE CB . 26815 1 78 . 1 1 21 21 PHE N N 15 131.885 0.1 . 1 . . . . 21 PHE N . 26815 1 79 . 1 1 22 22 GLN H H 1 8.595 0.02 . 1 . . . . 22 GLN H . 26815 1 80 . 1 1 22 22 GLN CA C 13 54.276 0.15 . 1 . . . . 22 GLN CA . 26815 1 81 . 1 1 22 22 GLN CB C 13 30.812 0.15 . 1 . . . . 22 GLN CB . 26815 1 82 . 1 1 22 22 GLN N N 15 126.106 0.1 . 1 . . . . 22 GLN N . 26815 1 83 . 1 1 23 23 HIS C C 13 175.693 0.15 . 1 . . . . 23 HIS C . 26815 1 84 . 1 1 23 23 HIS CA C 13 55.439 0.15 . 1 . . . . 23 HIS CA . 26815 1 85 . 1 1 23 23 HIS CB C 13 27.115 0.15 . 1 . . . . 23 HIS CB . 26815 1 86 . 1 1 24 24 GLY H H 1 7.457 0.02 . 1 . . . . 24 GLY H . 26815 1 87 . 1 1 24 24 GLY C C 13 172.975 0.15 . 1 . . . . 24 GLY C . 26815 1 88 . 1 1 24 24 GLY CA C 13 45.221 0.15 . 1 . . . . 24 GLY CA . 26815 1 89 . 1 1 24 24 GLY N N 15 102.930 0.1 . 1 . . . . 24 GLY N . 26815 1 90 . 1 1 25 25 LYS H H 1 7.142 0.02 . 1 . . . . 25 LYS H . 26815 1 91 . 1 1 25 25 LYS C C 13 173.441 0.15 . 1 . . . . 25 LYS C . 26815 1 92 . 1 1 25 25 LYS CA C 13 53.916 0.15 . 1 . . . . 25 LYS CA . 26815 1 93 . 1 1 25 25 LYS CB C 13 34.462 0.15 . 1 . . . . 25 LYS CB . 26815 1 94 . 1 1 25 25 LYS N N 15 120.088 0.1 . 1 . . . . 25 LYS N . 26815 1 95 . 1 1 26 26 VAL H H 1 7.999 0.02 . 1 . . . . 26 VAL H . 26815 1 96 . 1 1 26 26 VAL C C 13 175.586 0.15 . 1 . . . . 26 VAL C . 26815 1 97 . 1 1 26 26 VAL CA C 13 61.546 0.15 . 1 . . . . 26 VAL CA . 26815 1 98 . 1 1 26 26 VAL CB C 13 31.342 0.15 . 1 . . . . 26 VAL CB . 26815 1 99 . 1 1 26 26 VAL N N 15 120.570 0.1 . 1 . . . . 26 VAL N . 26815 1 100 . 1 1 27 27 GLU H H 1 8.903 0.02 . 1 . . . . 27 GLU H . 26815 1 101 . 1 1 27 27 GLU C C 13 174.915 0.15 . 1 . . . . 27 GLU C . 26815 1 102 . 1 1 27 27 GLU CA C 13 53.880 0.15 . 1 . . . . 27 GLU CA . 26815 1 103 . 1 1 27 27 GLU CB C 13 30.011 0.15 . 1 . . . . 27 GLU CB . 26815 1 104 . 1 1 27 27 GLU N N 15 129.052 0.1 . 1 . . . . 27 GLU N . 26815 1 105 . 1 1 28 28 ILE H H 1 8.350 0.02 . 1 . . . . 28 ILE H . 26815 1 106 . 1 1 28 28 ILE C C 13 175.894 0.15 . 1 . . . . 28 ILE C . 26815 1 107 . 1 1 28 28 ILE CA C 13 57.525 0.15 . 1 . . . . 28 ILE CA . 26815 1 108 . 1 1 28 28 ILE CB C 13 33.712 0.15 . 1 . . . . 28 ILE CB . 26815 1 109 . 1 1 28 28 ILE N N 15 128.088 0.1 . 1 . . . . 28 ILE N . 26815 1 110 . 1 1 29 29 ILE H H 1 8.216 0.02 . 1 . . . . 29 ILE H . 26815 1 111 . 1 1 29 29 ILE C C 13 174.779 0.15 . 1 . . . . 29 ILE C . 26815 1 112 . 1 1 29 29 ILE CA C 13 61.523 0.15 . 1 . . . . 29 ILE CA . 26815 1 113 . 1 1 29 29 ILE CB C 13 37.250 0.15 . 1 . . . . 29 ILE CB . 26815 1 114 . 1 1 29 29 ILE N N 15 129.153 0.1 . 1 . . . . 29 ILE N . 26815 1 115 . 1 1 30 30 ALA H H 1 8.191 0.02 . 1 . . . . 30 ALA H . 26815 1 116 . 1 1 30 30 ALA C C 13 176.736 0.15 . 1 . . . . 30 ALA C . 26815 1 117 . 1 1 30 30 ALA CA C 13 50.412 0.15 . 1 . . . . 30 ALA CA . 26815 1 118 . 1 1 30 30 ALA CB C 13 18.348 0.15 . 1 . . . . 30 ALA CB . 26815 1 119 . 1 1 30 30 ALA N N 15 128.398 0.1 . 1 . . . . 30 ALA N . 26815 1 120 . 1 1 31 31 ASN H H 1 8.250 0.02 . 1 . . . . 31 ASN H . 26815 1 121 . 1 1 31 31 ASN C C 13 176.235 0.15 . 1 . . . . 31 ASN C . 26815 1 122 . 1 1 31 31 ASN CB C 13 37.886 0.15 . 1 . . . . 31 ASN CB . 26815 1 123 . 1 1 31 31 ASN N N 15 117.053 0.1 . 1 . . . . 31 ASN N . 26815 1 124 . 1 1 33 33 GLN C C 13 175.644 0.15 . 1 . . . . 33 GLN C . 26815 1 125 . 1 1 33 33 GLN CA C 13 54.495 0.15 . 1 . . . . 33 GLN CA . 26815 1 126 . 1 1 33 33 GLN CB C 13 28.064 0.15 . 1 . . . . 33 GLN CB . 26815 1 127 . 1 1 34 34 GLY H H 1 8.141 0.02 . 1 . . . . 34 GLY H . 26815 1 128 . 1 1 34 34 GLY C C 13 173.933 0.15 . 1 . . . . 34 GLY C . 26815 1 129 . 1 1 34 34 GLY CA C 13 44.735 0.15 . 1 . . . . 34 GLY CA . 26815 1 130 . 1 1 34 34 GLY N N 15 107.350 0.1 . 1 . . . . 34 GLY N . 26815 1 131 . 1 1 35 35 ASN H H 1 7.716 0.02 . 1 . . . . 35 ASN H . 26815 1 132 . 1 1 35 35 ASN C C 13 176.828 0.15 . 1 . . . . 35 ASN C . 26815 1 133 . 1 1 35 35 ASN CA C 13 52.182 0.15 . 1 . . . . 35 ASN CA . 26815 1 134 . 1 1 35 35 ASN CB C 13 39.912 0.15 . 1 . . . . 35 ASN CB . 26815 1 135 . 1 1 35 35 ASN N N 15 118.156 0.1 . 1 . . . . 35 ASN N . 26815 1 136 . 1 1 37 37 THR H H 1 7.408 0.02 . 1 . . . . 37 THR H . 26815 1 137 . 1 1 37 37 THR C C 13 173.599 0.15 . 1 . . . . 37 THR C . 26815 1 138 . 1 1 37 37 THR CA C 13 59.479 0.15 . 1 . . . . 37 THR CA . 26815 1 139 . 1 1 37 37 THR CB C 13 70.860 0.15 . 1 . . . . 37 THR CB . 26815 1 140 . 1 1 37 37 THR N N 15 109.815 0.1 . 1 . . . . 37 THR N . 26815 1 141 . 1 1 38 38 THR H H 1 9.445 0.02 . 1 . . . . 38 THR H . 26815 1 142 . 1 1 38 38 THR C C 13 171.512 0.15 . 1 . . . . 38 THR C . 26815 1 143 . 1 1 38 38 THR CA C 13 60.059 0.15 . 1 . . . . 38 THR CA . 26815 1 144 . 1 1 38 38 THR CB C 13 72.874 0.15 . 1 . . . . 38 THR CB . 26815 1 145 . 1 1 38 38 THR N N 15 118.725 0.1 . 1 . . . . 38 THR N . 26815 1 146 . 1 1 39 39 PRO C C 13 177.655 0.15 . 1 . . . . 39 PRO C . 26815 1 147 . 1 1 39 39 PRO CA C 13 62.668 0.15 . 1 . . . . 39 PRO CA . 26815 1 148 . 1 1 39 39 PRO CB C 13 31.783 0.15 . 1 . . . . 39 PRO CB . 26815 1 149 . 1 1 40 40 SER H H 1 8.717 0.02 . 1 . . . . 40 SER H . 26815 1 150 . 1 1 40 40 SER C C 13 173.309 0.15 . 1 . . . . 40 SER C . 26815 1 151 . 1 1 40 40 SER CA C 13 55.509 0.15 . 1 . . . . 40 SER CA . 26815 1 152 . 1 1 40 40 SER CB C 13 61.153 0.15 . 1 . . . . 40 SER CB . 26815 1 153 . 1 1 40 40 SER N N 15 123.310 0.1 . 1 . . . . 40 SER N . 26815 1 154 . 1 1 41 41 TYR H H 1 8.305 0.02 . 1 . . . . 41 TYR H . 26815 1 155 . 1 1 41 41 TYR C C 13 174.386 0.15 . 1 . . . . 41 TYR C . 26815 1 156 . 1 1 41 41 TYR CA C 13 55.613 0.15 . 1 . . . . 41 TYR CA . 26815 1 157 . 1 1 41 41 TYR CB C 13 43.993 0.15 . 1 . . . . 41 TYR CB . 26815 1 158 . 1 1 41 41 TYR N N 15 125.162 0.1 . 1 . . . . 41 TYR N . 26815 1 159 . 1 1 42 42 VAL H H 1 8.555 0.02 . 1 . . . . 42 VAL H . 26815 1 160 . 1 1 42 42 VAL C C 13 172.772 0.15 . 1 . . . . 42 VAL C . 26815 1 161 . 1 1 42 42 VAL CA C 13 59.970 0.15 . 1 . . . . 42 VAL CA . 26815 1 162 . 1 1 42 42 VAL CB C 13 34.429 0.15 . 1 . . . . 42 VAL CB . 26815 1 163 . 1 1 42 42 VAL N N 15 119.008 0.1 . 1 . . . . 42 VAL N . 26815 1 164 . 1 1 43 43 ALA H H 1 9.236 0.02 . 1 . . . . 43 ALA H . 26815 1 165 . 1 1 43 43 ALA C C 13 174.052 0.15 . 1 . . . . 43 ALA C . 26815 1 166 . 1 1 43 43 ALA CA C 13 49.315 0.15 . 1 . . . . 43 ALA CA . 26815 1 167 . 1 1 43 43 ALA CB C 13 24.320 0.15 . 1 . . . . 43 ALA CB . 26815 1 168 . 1 1 43 43 ALA N N 15 126.826 0.1 . 1 . . . . 43 ALA N . 26815 1 169 . 1 1 44 44 PHE H H 1 8.140 0.02 . 1 . . . . 44 PHE H . 26815 1 170 . 1 1 44 44 PHE C C 13 174.907 0.15 . 1 . . . . 44 PHE C . 26815 1 171 . 1 1 44 44 PHE CA C 13 56.591 0.15 . 1 . . . . 44 PHE CA . 26815 1 172 . 1 1 44 44 PHE CB C 13 40.217 0.15 . 1 . . . . 44 PHE CB . 26815 1 173 . 1 1 44 44 PHE N N 15 120.131 0.1 . 1 . . . . 44 PHE N . 26815 1 174 . 1 1 45 45 THR H H 1 8.779 0.02 . 1 . . . . 45 THR H . 26815 1 175 . 1 1 45 45 THR C C 13 174.477 0.15 . 1 . . . . 45 THR C . 26815 1 176 . 1 1 45 45 THR CA C 13 58.653 0.15 . 1 . . . . 45 THR CA . 26815 1 177 . 1 1 45 45 THR CB C 13 70.795 0.15 . 1 . . . . 45 THR CB . 26815 1 178 . 1 1 45 45 THR N N 15 114.720 0.1 . 1 . . . . 45 THR N . 26815 1 179 . 1 1 46 46 ASP H H 1 8.730 0.02 . 1 . . . . 46 ASP H . 26815 1 180 . 1 1 46 46 ASP C C 13 176.762 0.15 . 1 . . . . 46 ASP C . 26815 1 181 . 1 1 46 46 ASP CA C 13 56.270 0.15 . 1 . . . . 46 ASP CA . 26815 1 182 . 1 1 46 46 ASP CB C 13 39.962 0.15 . 1 . . . . 46 ASP CB . 26815 1 183 . 1 1 46 46 ASP N N 15 116.291 0.1 . 1 . . . . 46 ASP N . 26815 1 184 . 1 1 47 47 THR H H 1 8.358 0.02 . 1 . . . . 47 THR H . 26815 1 185 . 1 1 47 47 THR C C 13 174.679 0.15 . 1 . . . . 47 THR C . 26815 1 186 . 1 1 47 47 THR CA C 13 61.516 0.15 . 1 . . . . 47 THR CA . 26815 1 187 . 1 1 47 47 THR CB C 13 70.987 0.15 . 1 . . . . 47 THR CB . 26815 1 188 . 1 1 47 47 THR N N 15 106.854 0.1 . 1 . . . . 47 THR N . 26815 1 189 . 1 1 48 48 GLU CA C 13 55.561 0.15 . 1 . . . . 48 GLU CA . 26815 1 190 . 1 1 49 49 ARG H H 1 8.412 0.02 . 1 . . . . 49 ARG H . 26815 1 191 . 1 1 49 49 ARG C C 13 174.999 0.15 . 1 . . . . 49 ARG C . 26815 1 192 . 1 1 49 49 ARG CA C 13 53.888 0.15 . 1 . . . . 49 ARG CA . 26815 1 193 . 1 1 49 49 ARG CB C 13 30.409 0.15 . 1 . . . . 49 ARG CB . 26815 1 194 . 1 1 49 49 ARG N N 15 121.866 0.1 . 1 . . . . 49 ARG N . 26815 1 195 . 1 1 50 50 LEU H H 1 9.032 0.02 . 1 . . . . 50 LEU H . 26815 1 196 . 1 1 50 50 LEU C C 13 175.438 0.15 . 1 . . . . 50 LEU C . 26815 1 197 . 1 1 50 50 LEU CA C 13 52.200 0.15 . 1 . . . . 50 LEU CA . 26815 1 198 . 1 1 50 50 LEU CB C 13 43.506 0.15 . 1 . . . . 50 LEU CB . 26815 1 199 . 1 1 50 50 LEU N N 15 127.285 0.1 . 1 . . . . 50 LEU N . 26815 1 200 . 1 1 51 51 ILE H H 1 8.758 0.02 . 1 . . . . 51 ILE H . 26815 1 201 . 1 1 51 51 ILE C C 13 176.308 0.15 . 1 . . . . 51 ILE C . 26815 1 202 . 1 1 51 51 ILE CA C 13 59.498 0.15 . 1 . . . . 51 ILE CA . 26815 1 203 . 1 1 51 51 ILE CB C 13 40.264 0.15 . 1 . . . . 51 ILE CB . 26815 1 204 . 1 1 51 51 ILE N N 15 121.431 0.1 . 1 . . . . 51 ILE N . 26815 1 205 . 1 1 52 52 GLY H H 1 8.925 0.02 . 1 . . . . 52 GLY H . 26815 1 206 . 1 1 52 52 GLY C C 13 176.330 0.15 . 1 . . . . 52 GLY C . 26815 1 207 . 1 1 52 52 GLY CA C 13 45.099 0.15 . 1 . . . . 52 GLY CA . 26815 1 208 . 1 1 52 52 GLY N N 15 114.107 0.1 . 1 . . . . 52 GLY N . 26815 1 209 . 1 1 54 54 ALA C C 13 179.898 0.15 . 1 . . . . 54 ALA C . 26815 1 210 . 1 1 54 54 ALA CA C 13 54.153 0.15 . 1 . . . . 54 ALA CA . 26815 1 211 . 1 1 54 54 ALA CB C 13 18.057 0.15 . 1 . . . . 54 ALA CB . 26815 1 212 . 1 1 55 55 ALA H H 1 6.414 0.02 . 1 . . . . 55 ALA H . 26815 1 213 . 1 1 55 55 ALA C C 13 179.279 0.15 . 1 . . . . 55 ALA C . 26815 1 214 . 1 1 55 55 ALA CA C 13 52.700 0.15 . 1 . . . . 55 ALA CA . 26815 1 215 . 1 1 55 55 ALA CB C 13 18.645 0.15 . 1 . . . . 55 ALA CB . 26815 1 216 . 1 1 55 55 ALA N N 15 116.038 0.1 . 1 . . . . 55 ALA N . 26815 1 217 . 1 1 56 56 LYS H H 1 7.904 0.02 . 1 . . . . 56 LYS H . 26815 1 218 . 1 1 56 56 LYS C C 13 178.455 0.15 . 1 . . . . 56 LYS C . 26815 1 219 . 1 1 56 56 LYS CA C 13 59.193 0.15 . 1 . . . . 56 LYS CA . 26815 1 220 . 1 1 56 56 LYS CB C 13 30.878 0.15 . 1 . . . . 56 LYS CB . 26815 1 221 . 1 1 56 56 LYS N N 15 121.772 0.1 . 1 . . . . 56 LYS N . 26815 1 222 . 1 1 57 57 ASN H H 1 8.439 0.02 . 1 . . . . 57 ASN H . 26815 1 223 . 1 1 57 57 ASN C C 13 176.474 0.15 . 1 . . . . 57 ASN C . 26815 1 224 . 1 1 57 57 ASN CA C 13 54.591 0.15 . 1 . . . . 57 ASN CA . 26815 1 225 . 1 1 57 57 ASN CB C 13 37.333 0.15 . 1 . . . . 57 ASN CB . 26815 1 226 . 1 1 57 57 ASN N N 15 115.207 0.1 . 1 . . . . 57 ASN N . 26815 1 227 . 1 1 58 58 GLN H H 1 7.143 0.02 . 1 . . . . 58 GLN H . 26815 1 228 . 1 1 58 58 GLN C C 13 175.979 0.15 . 1 . . . . 58 GLN C . 26815 1 229 . 1 1 58 58 GLN CA C 13 53.607 0.15 . 1 . . . . 58 GLN CA . 26815 1 230 . 1 1 58 58 GLN CB C 13 28.234 0.15 . 1 . . . . 58 GLN CB . 26815 1 231 . 1 1 58 58 GLN N N 15 112.386 0.1 . 1 . . . . 58 GLN N . 26815 1 232 . 1 1 59 59 VAL H H 1 7.192 0.02 . 1 . . . . 59 VAL H . 26815 1 233 . 1 1 59 59 VAL C C 13 175.379 0.15 . 1 . . . . 59 VAL C . 26815 1 234 . 1 1 59 59 VAL CA C 13 65.110 0.15 . 1 . . . . 59 VAL CA . 26815 1 235 . 1 1 59 59 VAL CB C 13 31.012 0.15 . 1 . . . . 59 VAL CB . 26815 1 236 . 1 1 59 59 VAL N N 15 121.961 0.1 . 1 . . . . 59 VAL N . 26815 1 237 . 1 1 60 60 ALA H H 1 8.410 0.02 . 1 . . . . 60 ALA H . 26815 1 238 . 1 1 60 60 ALA C C 13 178.766 0.15 . 1 . . . . 60 ALA C . 26815 1 239 . 1 1 60 60 ALA CA C 13 53.684 0.15 . 1 . . . . 60 ALA CA . 26815 1 240 . 1 1 60 60 ALA CB C 13 17.580 0.15 . 1 . . . . 60 ALA CB . 26815 1 241 . 1 1 60 60 ALA N N 15 119.792 0.1 . 1 . . . . 60 ALA N . 26815 1 242 . 1 1 61 61 MET H H 1 7.354 0.02 . 1 . . . . 61 MET H . 26815 1 243 . 1 1 61 61 MET C C 13 175.886 0.15 . 1 . . . . 61 MET C . 26815 1 244 . 1 1 61 61 MET CA C 13 54.816 0.15 . 1 . . . . 61 MET CA . 26815 1 245 . 1 1 61 61 MET CB C 13 31.760 0.15 . 1 . . . . 61 MET CB . 26815 1 246 . 1 1 61 61 MET N N 15 113.338 0.1 . 1 . . . . 61 MET N . 26815 1 247 . 1 1 62 62 ASN H H 1 7.458 0.02 . 1 . . . . 62 ASN H . 26815 1 248 . 1 1 62 62 ASN C C 13 173.559 0.15 . 1 . . . . 62 ASN C . 26815 1 249 . 1 1 62 62 ASN CA C 13 50.721 0.15 . 1 . . . . 62 ASN CA . 26815 1 250 . 1 1 62 62 ASN CB C 13 38.489 0.15 . 1 . . . . 62 ASN CB . 26815 1 251 . 1 1 62 62 ASN N N 15 117.929 0.1 . 1 . . . . 62 ASN N . 26815 1 252 . 1 1 63 63 PRO CA C 13 65.520 0.15 . 1 . . . . 63 PRO CA . 26815 1 253 . 1 1 63 63 PRO CB C 13 30.683 0.15 . 1 . . . . 63 PRO CB . 26815 1 254 . 1 1 64 64 THR H H 1 8.063 0.02 . 1 . . . . 64 THR H . 26815 1 255 . 1 1 64 64 THR C C 13 174.367 0.15 . 1 . . . . 64 THR C . 26815 1 256 . 1 1 64 64 THR CA C 13 63.612 0.15 . 1 . . . . 64 THR CA . 26815 1 257 . 1 1 64 64 THR CB C 13 67.957 0.15 . 1 . . . . 64 THR CB . 26815 1 258 . 1 1 64 64 THR N N 15 107.230 0.1 . 1 . . . . 64 THR N . 26815 1 259 . 1 1 65 65 ASN H H 1 6.636 0.02 . 1 . . . . 65 ASN H . 26815 1 260 . 1 1 65 65 ASN C C 13 173.616 0.15 . 1 . . . . 65 ASN C . 26815 1 261 . 1 1 65 65 ASN CA C 13 51.972 0.15 . 1 . . . . 65 ASN CA . 26815 1 262 . 1 1 65 65 ASN CB C 13 40.520 0.15 . 1 . . . . 65 ASN CB . 26815 1 263 . 1 1 65 65 ASN N N 15 115.544 0.1 . 1 . . . . 65 ASN N . 26815 1 264 . 1 1 66 66 THR H H 1 7.174 0.02 . 1 . . . . 66 THR H . 26815 1 265 . 1 1 66 66 THR C C 13 171.823 0.15 . 1 . . . . 66 THR C . 26815 1 266 . 1 1 66 66 THR CA C 13 62.658 0.15 . 1 . . . . 66 THR CA . 26815 1 267 . 1 1 66 66 THR CB C 13 68.231 0.15 . 1 . . . . 66 THR CB . 26815 1 268 . 1 1 66 66 THR N N 15 117.938 0.1 . 1 . . . . 66 THR N . 26815 1 269 . 1 1 67 67 VAL H H 1 9.405 0.02 . 1 . . . . 67 VAL H . 26815 1 270 . 1 1 67 67 VAL C C 13 171.974 0.15 . 1 . . . . 67 VAL C . 26815 1 271 . 1 1 67 67 VAL CA C 13 60.711 0.15 . 1 . . . . 67 VAL CA . 26815 1 272 . 1 1 67 67 VAL CB C 13 31.700 0.15 . 1 . . . . 67 VAL CB . 26815 1 273 . 1 1 67 67 VAL N N 15 125.083 0.1 . 1 . . . . 67 VAL N . 26815 1 274 . 1 1 68 68 PHE H H 1 5.790 0.02 . 1 . . . . 68 PHE H . 26815 1 275 . 1 1 68 68 PHE C C 13 171.958 0.15 . 1 . . . . 68 PHE C . 26815 1 276 . 1 1 68 68 PHE CA C 13 53.626 0.15 . 1 . . . . 68 PHE CA . 26815 1 277 . 1 1 68 68 PHE CB C 13 35.528 0.15 . 1 . . . . 68 PHE CB . 26815 1 278 . 1 1 68 68 PHE N N 15 120.230 0.1 . 1 . . . . 68 PHE N . 26815 1 279 . 1 1 69 69 ASP H H 1 8.550 0.02 . 1 . . . . 69 ASP H . 26815 1 280 . 1 1 69 69 ASP C C 13 176.506 0.15 . 1 . . . . 69 ASP C . 26815 1 281 . 1 1 69 69 ASP CA C 13 55.974 0.15 . 1 . . . . 69 ASP CA . 26815 1 282 . 1 1 69 69 ASP CB C 13 39.010 0.15 . 1 . . . . 69 ASP CB . 26815 1 283 . 1 1 69 69 ASP N N 15 111.854 0.1 . 1 . . . . 69 ASP N . 26815 1 284 . 1 1 70 70 ALA H H 1 7.797 0.02 . 1 . . . . 70 ALA H . 26815 1 285 . 1 1 70 70 ALA C C 13 179.278 0.15 . 1 . . . . 70 ALA C . 26815 1 286 . 1 1 70 70 ALA CA C 13 55.100 0.15 . 1 . . . . 70 ALA CA . 26815 1 287 . 1 1 70 70 ALA CB C 13 15.822 0.15 . 1 . . . . 70 ALA CB . 26815 1 288 . 1 1 70 70 ALA N N 15 120.459 0.1 . 1 . . . . 70 ALA N . 26815 1 289 . 1 1 71 71 LYS H H 1 8.114 0.02 . 1 . . . . 71 LYS H . 26815 1 290 . 1 1 71 71 LYS C C 13 177.741 0.15 . 1 . . . . 71 LYS C . 26815 1 291 . 1 1 71 71 LYS CA C 13 58.608 0.15 . 1 . . . . 71 LYS CA . 26815 1 292 . 1 1 71 71 LYS CB C 13 34.217 0.15 . 1 . . . . 71 LYS CB . 26815 1 293 . 1 1 71 71 LYS N N 15 117.890 0.1 . 1 . . . . 71 LYS N . 26815 1 294 . 1 1 72 72 ARG H H 1 8.013 0.02 . 1 . . . . 72 ARG H . 26815 1 295 . 1 1 72 72 ARG C C 13 176.952 0.15 . 1 . . . . 72 ARG C . 26815 1 296 . 1 1 72 72 ARG CA C 13 57.746 0.15 . 1 . . . . 72 ARG CA . 26815 1 297 . 1 1 72 72 ARG CB C 13 28.475 0.15 . 1 . . . . 72 ARG CB . 26815 1 298 . 1 1 72 72 ARG N N 15 114.880 0.1 . 1 . . . . 72 ARG N . 26815 1 299 . 1 1 73 73 LEU H H 1 7.415 0.02 . 1 . . . . 73 LEU H . 26815 1 300 . 1 1 73 73 LEU C C 13 177.301 0.15 . 1 . . . . 73 LEU C . 26815 1 301 . 1 1 73 73 LEU CA C 13 54.430 0.15 . 1 . . . . 73 LEU CA . 26815 1 302 . 1 1 73 73 LEU CB C 13 45.119 0.15 . 1 . . . . 73 LEU CB . 26815 1 303 . 1 1 73 73 LEU N N 15 115.822 0.1 . 1 . . . . 73 LEU N . 26815 1 304 . 1 1 74 74 ILE H H 1 7.247 0.02 . 1 . . . . 74 ILE H . 26815 1 305 . 1 1 74 74 ILE C C 13 175.634 0.15 . 1 . . . . 74 ILE C . 26815 1 306 . 1 1 74 74 ILE CA C 13 62.710 0.15 . 1 . . . . 74 ILE CA . 26815 1 307 . 1 1 74 74 ILE CB C 13 37.930 0.15 . 1 . . . . 74 ILE CB . 26815 1 308 . 1 1 74 74 ILE N N 15 120.869 0.1 . 1 . . . . 74 ILE N . 26815 1 309 . 1 1 75 75 GLY H H 1 9.340 0.02 . 1 . . . . 75 GLY H . 26815 1 310 . 1 1 75 75 GLY C C 13 173.517 0.15 . 1 . . . . 75 GLY C . 26815 1 311 . 1 1 75 75 GLY CA C 13 45.809 0.15 . 1 . . . . 75 GLY CA . 26815 1 312 . 1 1 75 75 GLY N N 15 112.796 0.1 . 1 . . . . 75 GLY N . 26815 1 313 . 1 1 76 76 ARG H H 1 7.697 0.02 . 1 . . . . 76 ARG H . 26815 1 314 . 1 1 76 76 ARG C C 13 176.314 0.15 . 1 . . . . 76 ARG C . 26815 1 315 . 1 1 76 76 ARG CA C 13 54.855 0.15 . 1 . . . . 76 ARG CA . 26815 1 316 . 1 1 76 76 ARG CB C 13 31.490 0.15 . 1 . . . . 76 ARG CB . 26815 1 317 . 1 1 76 76 ARG N N 15 119.277 0.1 . 1 . . . . 76 ARG N . 26815 1 318 . 1 1 77 77 ARG H H 1 8.731 0.02 . 1 . . . . 77 ARG H . 26815 1 319 . 1 1 77 77 ARG C C 13 176.760 0.15 . 1 . . . . 77 ARG C . 26815 1 320 . 1 1 77 77 ARG CA C 13 54.482 0.15 . 1 . . . . 77 ARG CA . 26815 1 321 . 1 1 77 77 ARG CB C 13 30.388 0.15 . 1 . . . . 77 ARG CB . 26815 1 322 . 1 1 77 77 ARG N N 15 120.171 0.1 . 1 . . . . 77 ARG N . 26815 1 323 . 1 1 78 78 PHE H H 1 8.576 0.02 . 1 . . . . 78 PHE H . 26815 1 324 . 1 1 78 78 PHE C C 13 174.027 0.15 . 1 . . . . 78 PHE C . 26815 1 325 . 1 1 78 78 PHE CA C 13 61.641 0.15 . 1 . . . . 78 PHE CA . 26815 1 326 . 1 1 78 78 PHE CB C 13 39.029 0.15 . 1 . . . . 78 PHE CB . 26815 1 327 . 1 1 78 78 PHE N N 15 121.111 0.1 . 1 . . . . 78 PHE N . 26815 1 328 . 1 1 79 79 ASP H H 1 8.239 0.02 . 1 . . . . 79 ASP H . 26815 1 329 . 1 1 79 79 ASP C C 13 175.902 0.15 . 1 . . . . 79 ASP C . 26815 1 330 . 1 1 79 79 ASP CA C 13 53.054 0.15 . 1 . . . . 79 ASP CA . 26815 1 331 . 1 1 79 79 ASP CB C 13 39.380 0.15 . 1 . . . . 79 ASP CB . 26815 1 332 . 1 1 79 79 ASP N N 15 111.634 0.1 . 1 . . . . 79 ASP N . 26815 1 333 . 1 1 80 80 ASP H H 1 7.229 0.02 . 1 . . . . 80 ASP H . 26815 1 334 . 1 1 80 80 ASP C C 13 177.076 0.15 . 1 . . . . 80 ASP C . 26815 1 335 . 1 1 80 80 ASP CA C 13 54.328 0.15 . 1 . . . . 80 ASP CA . 26815 1 336 . 1 1 80 80 ASP CB C 13 41.372 0.15 . 1 . . . . 80 ASP CB . 26815 1 337 . 1 1 80 80 ASP N N 15 123.042 0.1 . 1 . . . . 80 ASP N . 26815 1 338 . 1 1 81 81 ALA H H 1 8.858 0.02 . 1 . . . . 81 ALA H . 26815 1 339 . 1 1 81 81 ALA C C 13 180.607 0.15 . 1 . . . . 81 ALA C . 26815 1 340 . 1 1 81 81 ALA CA C 13 54.842 0.15 . 1 . . . . 81 ALA CA . 26815 1 341 . 1 1 81 81 ALA CB C 13 17.550 0.15 . 1 . . . . 81 ALA CB . 26815 1 342 . 1 1 81 81 ALA N N 15 130.177 0.1 . 1 . . . . 81 ALA N . 26815 1 343 . 1 1 82 82 VAL H H 1 8.721 0.02 . 1 . . . . 82 VAL H . 26815 1 344 . 1 1 82 82 VAL C C 13 177.003 0.15 . 1 . . . . 82 VAL C . 26815 1 345 . 1 1 82 82 VAL CA C 13 65.255 0.15 . 1 . . . . 82 VAL CA . 26815 1 346 . 1 1 82 82 VAL CB C 13 30.979 0.15 . 1 . . . . 82 VAL CB . 26815 1 347 . 1 1 82 82 VAL N N 15 118.418 0.1 . 1 . . . . 82 VAL N . 26815 1 348 . 1 1 83 83 VAL H H 1 6.601 0.02 . 1 . . . . 83 VAL H . 26815 1 349 . 1 1 83 83 VAL C C 13 178.112 0.15 . 1 . . . . 83 VAL C . 26815 1 350 . 1 1 83 83 VAL CA C 13 64.710 0.15 . 1 . . . . 83 VAL CA . 26815 1 351 . 1 1 83 83 VAL CB C 13 30.722 0.15 . 1 . . . . 83 VAL CB . 26815 1 352 . 1 1 83 83 VAL N N 15 122.193 0.1 . 1 . . . . 83 VAL N . 26815 1 353 . 1 1 84 84 GLN H H 1 7.706 0.02 . 1 . . . . 84 GLN H . 26815 1 354 . 1 1 84 84 GLN C C 13 178.144 0.15 . 1 . . . . 84 GLN C . 26815 1 355 . 1 1 84 84 GLN CA C 13 57.083 0.15 . 1 . . . . 84 GLN CA . 26815 1 356 . 1 1 84 84 GLN CB C 13 27.508 0.15 . 1 . . . . 84 GLN CB . 26815 1 357 . 1 1 84 84 GLN N N 15 114.421 0.1 . 1 . . . . 84 GLN N . 26815 1 358 . 1 1 85 85 SER H H 1 7.597 0.02 . 1 . . . . 85 SER H . 26815 1 359 . 1 1 85 85 SER C C 13 176.775 0.15 . 1 . . . . 85 SER C . 26815 1 360 . 1 1 85 85 SER CA C 13 60.062 0.15 . 1 . . . . 85 SER CA . 26815 1 361 . 1 1 85 85 SER CB C 13 62.278 0.15 . 1 . . . . 85 SER CB . 26815 1 362 . 1 1 85 85 SER N N 15 112.687 0.1 . 1 . . . . 85 SER N . 26815 1 363 . 1 1 86 86 ASP H H 1 8.347 0.02 . 1 . . . . 86 ASP H . 26815 1 364 . 1 1 86 86 ASP C C 13 178.232 0.15 . 1 . . . . 86 ASP C . 26815 1 365 . 1 1 86 86 ASP CA C 13 56.576 0.15 . 1 . . . . 86 ASP CA . 26815 1 366 . 1 1 86 86 ASP CB C 13 39.248 0.15 . 1 . . . . 86 ASP CB . 26815 1 367 . 1 1 86 86 ASP N N 15 123.521 0.1 . 1 . . . . 86 ASP N . 26815 1 368 . 1 1 87 87 MET H H 1 7.797 0.02 . 1 . . . . 87 MET H . 26815 1 369 . 1 1 87 87 MET C C 13 177.843 0.15 . 1 . . . . 87 MET C . 26815 1 370 . 1 1 87 87 MET CA C 13 57.966 0.15 . 1 . . . . 87 MET CA . 26815 1 371 . 1 1 87 87 MET CB C 13 32.176 0.15 . 1 . . . . 87 MET CB . 26815 1 372 . 1 1 87 87 MET N N 15 115.548 0.1 . 1 . . . . 87 MET N . 26815 1 373 . 1 1 88 88 LYS H H 1 6.744 0.02 . 1 . . . . 88 LYS H . 26815 1 374 . 1 1 88 88 LYS C C 13 177.071 0.15 . 1 . . . . 88 LYS C . 26815 1 375 . 1 1 88 88 LYS CA C 13 57.084 0.15 . 1 . . . . 88 LYS CA . 26815 1 376 . 1 1 88 88 LYS CB C 13 30.638 0.15 . 1 . . . . 88 LYS CB . 26815 1 377 . 1 1 88 88 LYS N N 15 116.727 0.1 . 1 . . . . 88 LYS N . 26815 1 378 . 1 1 89 89 HIS H H 1 7.229 0.02 . 1 . . . . 89 HIS H . 26815 1 379 . 1 1 89 89 HIS C C 13 175.326 0.15 . 1 . . . . 89 HIS C . 26815 1 380 . 1 1 89 89 HIS CA C 13 54.552 0.15 . 1 . . . . 89 HIS CA . 26815 1 381 . 1 1 89 89 HIS CB C 13 29.534 0.15 . 1 . . . . 89 HIS CB . 26815 1 382 . 1 1 89 89 HIS N N 15 114.917 0.1 . 1 . . . . 89 HIS N . 26815 1 383 . 1 1 90 90 TRP H H 1 6.887 0.02 . 1 . . . . 90 TRP H . 26815 1 384 . 1 1 90 90 TRP C C 13 181.800 0.15 . 1 . . . . 90 TRP C . 26815 1 385 . 1 1 90 90 TRP CA C 13 52.775 0.15 . 1 . . . . 90 TRP CA . 26815 1 386 . 1 1 90 90 TRP CB C 13 28.185 0.15 . 1 . . . . 90 TRP CB . 26815 1 387 . 1 1 90 90 TRP N N 15 122.194 0.1 . 1 . . . . 90 TRP N . 26815 1 388 . 1 1 91 91 PRO C C 13 176.109 0.15 . 1 . . . . 91 PRO C . 26815 1 389 . 1 1 91 91 PRO CA C 13 62.443 0.15 . 1 . . . . 91 PRO CA . 26815 1 390 . 1 1 91 91 PRO CB C 13 30.932 0.15 . 1 . . . . 91 PRO CB . 26815 1 391 . 1 1 92 92 PHE H H 1 6.017 0.02 . 1 . . . . 92 PHE H . 26815 1 392 . 1 1 92 92 PHE C C 13 173.255 0.15 . 1 . . . . 92 PHE C . 26815 1 393 . 1 1 92 92 PHE CA C 13 52.611 0.15 . 1 . . . . 92 PHE CA . 26815 1 394 . 1 1 92 92 PHE CB C 13 39.201 0.15 . 1 . . . . 92 PHE CB . 26815 1 395 . 1 1 92 92 PHE N N 15 115.785 0.1 . 1 . . . . 92 PHE N . 26815 1 396 . 1 1 93 93 MET H H 1 8.892 0.02 . 1 . . . . 93 MET H . 26815 1 397 . 1 1 93 93 MET C C 13 174.912 0.15 . 1 . . . . 93 MET C . 26815 1 398 . 1 1 93 93 MET CA C 13 55.143 0.15 . 1 . . . . 93 MET CA . 26815 1 399 . 1 1 93 93 MET CB C 13 33.239 0.15 . 1 . . . . 93 MET CB . 26815 1 400 . 1 1 93 93 MET N N 15 121.495 0.1 . 1 . . . . 93 MET N . 26815 1 401 . 1 1 94 94 VAL H H 1 8.214 0.02 . 1 . . . . 94 VAL H . 26815 1 402 . 1 1 94 94 VAL C C 13 175.370 0.15 . 1 . . . . 94 VAL C . 26815 1 403 . 1 1 94 94 VAL CA C 13 60.667 0.15 . 1 . . . . 94 VAL CA . 26815 1 404 . 1 1 94 94 VAL CB C 13 32.576 0.15 . 1 . . . . 94 VAL CB . 26815 1 405 . 1 1 94 94 VAL N N 15 125.991 0.1 . 1 . . . . 94 VAL N . 26815 1 406 . 1 1 95 95 VAL H H 1 9.373 0.02 . 1 . . . . 95 VAL H . 26815 1 407 . 1 1 95 95 VAL C C 13 173.239 0.15 . 1 . . . . 95 VAL C . 26815 1 408 . 1 1 95 95 VAL CA C 13 58.224 0.15 . 1 . . . . 95 VAL CA . 26815 1 409 . 1 1 95 95 VAL CB C 13 33.693 0.15 . 1 . . . . 95 VAL CB . 26815 1 410 . 1 1 95 95 VAL N N 15 119.935 0.1 . 1 . . . . 95 VAL N . 26815 1 411 . 1 1 96 96 ASN H H 1 7.844 0.02 . 1 . . . . 96 ASN H . 26815 1 412 . 1 1 96 96 ASN C C 13 175.557 0.15 . 1 . . . . 96 ASN C . 26815 1 413 . 1 1 96 96 ASN CA C 13 51.265 0.15 . 1 . . . . 96 ASN CA . 26815 1 414 . 1 1 96 96 ASN CB C 13 37.182 0.15 . 1 . . . . 96 ASN CB . 26815 1 415 . 1 1 96 96 ASN N N 15 118.691 0.1 . 1 . . . . 96 ASN N . 26815 1 416 . 1 1 97 97 ASP H H 1 9.124 0.02 . 1 . . . . 97 ASP H . 26815 1 417 . 1 1 97 97 ASP C C 13 175.621 0.15 . 1 . . . . 97 ASP C . 26815 1 418 . 1 1 97 97 ASP CA C 13 52.755 0.15 . 1 . . . . 97 ASP CA . 26815 1 419 . 1 1 97 97 ASP CB C 13 41.697 0.15 . 1 . . . . 97 ASP CB . 26815 1 420 . 1 1 97 97 ASP N N 15 129.134 0.1 . 1 . . . . 97 ASP N . 26815 1 421 . 1 1 98 98 ALA H H 1 8.685 0.02 . 1 . . . . 98 ALA H . 26815 1 422 . 1 1 98 98 ALA C C 13 176.678 0.15 . 1 . . . . 98 ALA C . 26815 1 423 . 1 1 98 98 ALA CA C 13 52.429 0.15 . 1 . . . . 98 ALA CA . 26815 1 424 . 1 1 98 98 ALA CB C 13 16.079 0.15 . 1 . . . . 98 ALA CB . 26815 1 425 . 1 1 98 98 ALA N N 15 127.590 0.1 . 1 . . . . 98 ALA N . 26815 1 426 . 1 1 99 99 GLY H H 1 8.295 0.02 . 1 . . . . 99 GLY H . 26815 1 427 . 1 1 99 99 GLY C C 13 175.190 0.15 . 1 . . . . 99 GLY C . 26815 1 428 . 1 1 99 99 GLY CA C 13 44.922 0.15 . 1 . . . . 99 GLY CA . 26815 1 429 . 1 1 99 99 GLY N N 15 106.429 0.1 . 1 . . . . 99 GLY N . 26815 1 430 . 1 1 100 100 ARG H H 1 8.096 0.02 . 1 . . . . 100 ARG H . 26815 1 431 . 1 1 100 100 ARG C C 13 172.877 0.15 . 1 . . . . 100 ARG C . 26815 1 432 . 1 1 100 100 ARG CA C 13 53.043 0.15 . 1 . . . . 100 ARG CA . 26815 1 433 . 1 1 100 100 ARG CB C 13 29.761 0.15 . 1 . . . . 100 ARG CB . 26815 1 434 . 1 1 100 100 ARG N N 15 122.976 0.1 . 1 . . . . 100 ARG N . 26815 1 435 . 1 1 101 101 PRO C C 13 175.947 0.15 . 1 . . . . 101 PRO C . 26815 1 436 . 1 1 101 101 PRO CA C 13 61.603 0.15 . 1 . . . . 101 PRO CA . 26815 1 437 . 1 1 101 101 PRO CB C 13 31.785 0.15 . 1 . . . . 101 PRO CB . 26815 1 438 . 1 1 102 102 LYS H H 1 8.957 0.02 . 1 . . . . 102 LYS H . 26815 1 439 . 1 1 102 102 LYS C C 13 175.453 0.15 . 1 . . . . 102 LYS C . 26815 1 440 . 1 1 102 102 LYS CA C 13 54.775 0.15 . 1 . . . . 102 LYS CA . 26815 1 441 . 1 1 102 102 LYS CB C 13 34.888 0.15 . 1 . . . . 102 LYS CB . 26815 1 442 . 1 1 102 102 LYS N N 15 117.959 0.1 . 1 . . . . 102 LYS N . 26815 1 443 . 1 1 103 103 VAL H H 1 8.885 0.02 . 1 . . . . 103 VAL H . 26815 1 444 . 1 1 103 103 VAL C C 13 174.664 0.15 . 1 . . . . 103 VAL C . 26815 1 445 . 1 1 103 103 VAL CA C 13 60.104 0.15 . 1 . . . . 103 VAL CA . 26815 1 446 . 1 1 103 103 VAL CB C 13 31.254 0.15 . 1 . . . . 103 VAL CB . 26815 1 447 . 1 1 103 103 VAL N N 15 119.139 0.1 . 1 . . . . 103 VAL N . 26815 1 448 . 1 1 104 104 GLN H H 1 8.662 0.02 . 1 . . . . 104 GLN H . 26815 1 449 . 1 1 104 104 GLN C C 13 173.615 0.15 . 1 . . . . 104 GLN C . 26815 1 450 . 1 1 104 104 GLN CA C 13 54.304 0.15 . 1 . . . . 104 GLN CA . 26815 1 451 . 1 1 104 104 GLN CB C 13 31.999 0.15 . 1 . . . . 104 GLN CB . 26815 1 452 . 1 1 104 104 GLN N N 15 128.737 0.1 . 1 . . . . 104 GLN N . 26815 1 453 . 1 1 105 105 VAL H H 1 8.763 0.02 . 1 . . . . 105 VAL H . 26815 1 454 . 1 1 105 105 VAL C C 13 172.930 0.15 . 1 . . . . 105 VAL C . 26815 1 455 . 1 1 105 105 VAL CA C 13 58.608 0.15 . 1 . . . . 105 VAL CA . 26815 1 456 . 1 1 105 105 VAL CB C 13 35.277 0.15 . 1 . . . . 105 VAL CB . 26815 1 457 . 1 1 105 105 VAL N N 15 118.797 0.1 . 1 . . . . 105 VAL N . 26815 1 458 . 1 1 106 106 GLU H H 1 8.012 0.02 . 1 . . . . 106 GLU H . 26815 1 459 . 1 1 106 106 GLU C C 13 175.337 0.15 . 1 . . . . 106 GLU C . 26815 1 460 . 1 1 106 106 GLU CA C 13 54.211 0.15 . 1 . . . . 106 GLU CA . 26815 1 461 . 1 1 106 106 GLU CB C 13 30.338 0.15 . 1 . . . . 106 GLU CB . 26815 1 462 . 1 1 106 106 GLU N N 15 120.659 0.1 . 1 . . . . 106 GLU N . 26815 1 463 . 1 1 107 107 TYR H H 1 8.979 0.02 . 1 . . . . 107 TYR H . 26815 1 464 . 1 1 107 107 TYR C C 13 175.185 0.15 . 1 . . . . 107 TYR C . 26815 1 465 . 1 1 107 107 TYR CA C 13 53.641 0.15 . 1 . . . . 107 TYR CA . 26815 1 466 . 1 1 107 107 TYR CB C 13 39.694 0.15 . 1 . . . . 107 TYR CB . 26815 1 467 . 1 1 107 107 TYR N N 15 123.653 0.1 . 1 . . . . 107 TYR N . 26815 1 468 . 1 1 108 108 LYS H H 1 9.061 0.02 . 1 . . . . 108 LYS H . 26815 1 469 . 1 1 108 108 LYS C C 13 176.667 0.15 . 1 . . . . 108 LYS C . 26815 1 470 . 1 1 108 108 LYS CA C 13 56.800 0.15 . 1 . . . . 108 LYS CA . 26815 1 471 . 1 1 108 108 LYS CB C 13 28.835 0.15 . 1 . . . . 108 LYS CB . 26815 1 472 . 1 1 108 108 LYS N N 15 128.113 0.1 . 1 . . . . 108 LYS N . 26815 1 473 . 1 1 109 109 GLY H H 1 8.988 0.02 . 1 . . . . 109 GLY H . 26815 1 474 . 1 1 109 109 GLY C C 13 173.647 0.15 . 1 . . . . 109 GLY C . 26815 1 475 . 1 1 109 109 GLY CA C 13 45.099 0.15 . 1 . . . . 109 GLY CA . 26815 1 476 . 1 1 109 109 GLY N N 15 104.658 0.1 . 1 . . . . 109 GLY N . 26815 1 477 . 1 1 110 110 GLU H H 1 7.557 0.02 . 1 . . . . 110 GLU H . 26815 1 478 . 1 1 110 110 GLU C C 13 174.632 0.15 . 1 . . . . 110 GLU C . 26815 1 479 . 1 1 110 110 GLU CA C 13 53.643 0.15 . 1 . . . . 110 GLU CA . 26815 1 480 . 1 1 110 110 GLU CB C 13 32.494 0.15 . 1 . . . . 110 GLU CB . 26815 1 481 . 1 1 110 110 GLU N N 15 119.724 0.1 . 1 . . . . 110 GLU N . 26815 1 482 . 1 1 111 111 THR H H 1 8.547 0.02 . 1 . . . . 111 THR H . 26815 1 483 . 1 1 111 111 THR C C 13 174.334 0.15 . 1 . . . . 111 THR C . 26815 1 484 . 1 1 111 111 THR CA C 13 62.767 0.15 . 1 . . . . 111 THR CA . 26815 1 485 . 1 1 111 111 THR CB C 13 68.029 0.15 . 1 . . . . 111 THR CB . 26815 1 486 . 1 1 111 111 THR N N 15 120.344 0.1 . 1 . . . . 111 THR N . 26815 1 487 . 1 1 112 112 LYS H H 1 9.185 0.02 . 1 . . . . 112 LYS H . 26815 1 488 . 1 1 112 112 LYS C C 13 173.408 0.15 . 1 . . . . 112 LYS C . 26815 1 489 . 1 1 112 112 LYS CA C 13 52.623 0.15 . 1 . . . . 112 LYS CA . 26815 1 490 . 1 1 112 112 LYS CB C 13 35.311 0.15 . 1 . . . . 112 LYS CB . 26815 1 491 . 1 1 112 112 LYS N N 15 129.520 0.1 . 1 . . . . 112 LYS N . 26815 1 492 . 1 1 113 113 SER H H 1 7.852 0.02 . 1 . . . . 113 SER H . 26815 1 493 . 1 1 113 113 SER C C 13 173.207 0.15 . 1 . . . . 113 SER C . 26815 1 494 . 1 1 113 113 SER CA C 13 54.820 0.15 . 1 . . . . 113 SER CA . 26815 1 495 . 1 1 113 113 SER CB C 13 65.370 0.15 . 1 . . . . 113 SER CB . 26815 1 496 . 1 1 113 113 SER N N 15 113.558 0.1 . 1 . . . . 113 SER N . 26815 1 497 . 1 1 114 114 PHE H H 1 8.690 0.02 . 1 . . . . 114 PHE H . 26815 1 498 . 1 1 114 114 PHE C C 13 176.016 0.15 . 1 . . . . 114 PHE C . 26815 1 499 . 1 1 114 114 PHE CA C 13 55.886 0.15 . 1 . . . . 114 PHE CA . 26815 1 500 . 1 1 114 114 PHE CB C 13 42.670 0.15 . 1 . . . . 114 PHE CB . 26815 1 501 . 1 1 114 114 PHE N N 15 117.690 0.1 . 1 . . . . 114 PHE N . 26815 1 502 . 1 1 115 115 TYR H H 1 10.097 0.02 . 1 . . . . 115 TYR H . 26815 1 503 . 1 1 115 115 TYR C C 13 176.245 0.15 . 1 . . . . 115 TYR C . 26815 1 504 . 1 1 115 115 TYR CA C 13 57.945 0.15 . 1 . . . . 115 TYR CA . 26815 1 505 . 1 1 115 115 TYR CB C 13 36.122 0.15 . 1 . . . . 115 TYR CB . 26815 1 506 . 1 1 115 115 TYR N N 15 124.302 0.1 . 1 . . . . 115 TYR N . 26815 1 507 . 1 1 116 116 PRO C C 13 177.479 0.15 . 1 . . . . 116 PRO C . 26815 1 508 . 1 1 116 116 PRO CB C 13 33.207 0.15 . 1 . . . . 116 PRO CB . 26815 1 509 . 1 1 117 117 GLU H H 1 8.527 0.02 . 1 . . . . 117 GLU H . 26815 1 510 . 1 1 117 117 GLU C C 13 180.867 0.15 . 1 . . . . 117 GLU C . 26815 1 511 . 1 1 117 117 GLU CA C 13 59.191 0.15 . 1 . . . . 117 GLU CA . 26815 1 512 . 1 1 117 117 GLU CB C 13 28.899 0.15 . 1 . . . . 117 GLU CB . 26815 1 513 . 1 1 117 117 GLU N N 15 119.552 0.1 . 1 . . . . 117 GLU N . 26815 1 514 . 1 1 118 118 GLU H H 1 8.802 0.02 . 1 . . . . 118 GLU H . 26815 1 515 . 1 1 118 118 GLU C C 13 179.883 0.15 . 1 . . . . 118 GLU C . 26815 1 516 . 1 1 118 118 GLU CA C 13 58.656 0.15 . 1 . . . . 118 GLU CA . 26815 1 517 . 1 1 118 118 GLU N N 15 119.228 0.1 . 1 . . . . 118 GLU N . 26815 1 518 . 1 1 119 119 VAL H H 1 7.606 0.02 . 1 . . . . 119 VAL H . 26815 1 519 . 1 1 119 119 VAL C C 13 178.811 0.15 . 1 . . . . 119 VAL C . 26815 1 520 . 1 1 119 119 VAL CA C 13 66.420 0.15 . 1 . . . . 119 VAL CA . 26815 1 521 . 1 1 119 119 VAL CB C 13 29.689 0.15 . 1 . . . . 119 VAL CB . 26815 1 522 . 1 1 119 119 VAL N N 15 122.878 0.1 . 1 . . . . 119 VAL N . 26815 1 523 . 1 1 120 120 SER H H 1 8.830 0.02 . 1 . . . . 120 SER H . 26815 1 524 . 1 1 120 120 SER C C 13 176.368 0.15 . 1 . . . . 120 SER C . 26815 1 525 . 1 1 120 120 SER CA C 13 62.216 0.15 . 1 . . . . 120 SER CA . 26815 1 526 . 1 1 120 120 SER CB C 13 61.204 0.15 . 1 . . . . 120 SER CB . 26815 1 527 . 1 1 120 120 SER N N 15 115.757 0.1 . 1 . . . . 120 SER N . 26815 1 528 . 1 1 121 121 SER H H 1 8.239 0.02 . 1 . . . . 121 SER H . 26815 1 529 . 1 1 121 121 SER C C 13 175.786 0.15 . 1 . . . . 121 SER C . 26815 1 530 . 1 1 121 121 SER CA C 13 61.229 0.15 . 1 . . . . 121 SER CA . 26815 1 531 . 1 1 121 121 SER CB C 13 62.867 0.15 . 1 . . . . 121 SER CB . 26815 1 532 . 1 1 121 121 SER N N 15 119.331 0.1 . 1 . . . . 121 SER N . 26815 1 533 . 1 1 122 122 MET H H 1 7.587 0.02 . 1 . . . . 122 MET H . 26815 1 534 . 1 1 122 122 MET C C 13 178.166 0.15 . 1 . . . . 122 MET C . 26815 1 535 . 1 1 122 122 MET CA C 13 58.902 0.15 . 1 . . . . 122 MET CA . 26815 1 536 . 1 1 122 122 MET CB C 13 30.332 0.15 . 1 . . . . 122 MET CB . 26815 1 537 . 1 1 122 122 MET N N 15 125.601 0.1 . 1 . . . . 122 MET N . 26815 1 538 . 1 1 123 123 VAL H H 1 7.019 0.02 . 1 . . . . 123 VAL H . 26815 1 539 . 1 1 123 123 VAL C C 13 178.212 0.15 . 1 . . . . 123 VAL C . 26815 1 540 . 1 1 123 123 VAL CA C 13 66.440 0.15 . 1 . . . . 123 VAL CA . 26815 1 541 . 1 1 123 123 VAL N N 15 121.012 0.1 . 1 . . . . 123 VAL N . 26815 1 542 . 1 1 124 124 LEU C C 13 178.488 0.15 . 1 . . . . 124 LEU C . 26815 1 543 . 1 1 124 124 LEU CA C 13 57.825 0.15 . 1 . . . . 124 LEU CA . 26815 1 544 . 1 1 124 124 LEU CB C 13 40.567 0.15 . 1 . . . . 124 LEU CB . 26815 1 545 . 1 1 125 125 THR H H 1 8.629 0.02 . 1 . . . . 125 THR H . 26815 1 546 . 1 1 125 125 THR C C 13 175.549 0.15 . 1 . . . . 125 THR C . 26815 1 547 . 1 1 125 125 THR CA C 13 67.080 0.15 . 1 . . . . 125 THR CA . 26815 1 548 . 1 1 125 125 THR CB C 13 68.028 0.15 . 1 . . . . 125 THR CB . 26815 1 549 . 1 1 125 125 THR N N 15 118.310 0.1 . 1 . . . . 125 THR N . 26815 1 550 . 1 1 126 126 LYS H H 1 7.383 0.02 . 1 . . . . 126 LYS H . 26815 1 551 . 1 1 126 126 LYS C C 13 177.568 0.15 . 1 . . . . 126 LYS C . 26815 1 552 . 1 1 126 126 LYS CA C 13 57.079 0.15 . 1 . . . . 126 LYS CA . 26815 1 553 . 1 1 126 126 LYS CB C 13 30.349 0.15 . 1 . . . . 126 LYS CB . 26815 1 554 . 1 1 126 126 LYS N N 15 123.387 0.1 . 1 . . . . 126 LYS N . 26815 1 555 . 1 1 127 127 MET H H 1 8.009 0.02 . 1 . . . . 127 MET H . 26815 1 556 . 1 1 127 127 MET CA C 13 56.260 0.15 . 1 . . . . 127 MET CA . 26815 1 557 . 1 1 127 127 MET CB C 13 29.607 0.15 . 1 . . . . 127 MET CB . 26815 1 558 . 1 1 127 127 MET N N 15 117.411 0.1 . 1 . . . . 127 MET N . 26815 1 559 . 1 1 128 128 LYS C C 13 176.584 0.15 . 1 . . . . 128 LYS C . 26815 1 560 . 1 1 128 128 LYS CA C 13 55.110 0.15 . 1 . . . . 128 LYS CA . 26815 1 561 . 1 1 128 128 LYS CB C 13 36.234 0.15 . 1 . . . . 128 LYS CB . 26815 1 562 . 1 1 129 129 GLU H H 1 7.304 0.02 . 1 . . . . 129 GLU H . 26815 1 563 . 1 1 129 129 GLU C C 13 177.363 0.15 . 1 . . . . 129 GLU C . 26815 1 564 . 1 1 129 129 GLU CA C 13 55.964 0.15 . 1 . . . . 129 GLU CA . 26815 1 565 . 1 1 129 129 GLU N N 15 125.551 0.1 . 1 . . . . 129 GLU N . 26815 1 566 . 1 1 130 130 ILE C C 13 179.287 0.15 . 1 . . . . 130 ILE C . 26815 1 567 . 1 1 130 130 ILE CA C 13 64.715 0.15 . 1 . . . . 130 ILE CA . 26815 1 568 . 1 1 130 130 ILE CB C 13 38.053 0.15 . 1 . . . . 130 ILE CB . 26815 1 569 . 1 1 131 131 ALA H H 1 8.027 0.02 . 1 . . . . 131 ALA H . 26815 1 570 . 1 1 131 131 ALA C C 13 178.946 0.15 . 1 . . . . 131 ALA C . 26815 1 571 . 1 1 131 131 ALA CA C 13 54.978 0.15 . 1 . . . . 131 ALA CA . 26815 1 572 . 1 1 131 131 ALA CB C 13 17.049 0.15 . 1 . . . . 131 ALA CB . 26815 1 573 . 1 1 131 131 ALA N N 15 124.992 0.1 . 1 . . . . 131 ALA N . 26815 1 574 . 1 1 132 132 GLU H H 1 8.907 0.02 . 1 . . . . 132 GLU H . 26815 1 575 . 1 1 132 132 GLU C C 13 180.496 0.15 . 1 . . . . 132 GLU C . 26815 1 576 . 1 1 132 132 GLU CA C 13 59.222 0.15 . 1 . . . . 132 GLU CA . 26815 1 577 . 1 1 132 132 GLU CB C 13 28.371 0.15 . 1 . . . . 132 GLU CB . 26815 1 578 . 1 1 132 132 GLU N N 15 119.772 0.1 . 1 . . . . 132 GLU N . 26815 1 579 . 1 1 133 133 ALA H H 1 8.340 0.02 . 1 . . . . 133 ALA H . 26815 1 580 . 1 1 133 133 ALA C C 13 179.305 0.15 . 1 . . . . 133 ALA C . 26815 1 581 . 1 1 133 133 ALA CA C 13 54.185 0.15 . 1 . . . . 133 ALA CA . 26815 1 582 . 1 1 133 133 ALA CB C 13 17.133 0.15 . 1 . . . . 133 ALA CB . 26815 1 583 . 1 1 133 133 ALA N N 15 123.334 0.1 . 1 . . . . 133 ALA N . 26815 1 584 . 1 1 134 134 TYR H H 1 7.309 0.02 . 1 . . . . 134 TYR H . 26815 1 585 . 1 1 134 134 TYR C C 13 177.479 0.15 . 1 . . . . 134 TYR C . 26815 1 586 . 1 1 134 134 TYR CA C 13 59.763 0.15 . 1 . . . . 134 TYR CA . 26815 1 587 . 1 1 134 134 TYR CB C 13 39.395 0.15 . 1 . . . . 134 TYR CB . 26815 1 588 . 1 1 134 134 TYR N N 15 118.057 0.1 . 1 . . . . 134 TYR N . 26815 1 589 . 1 1 135 135 LEU H H 1 8.680 0.02 . 1 . . . . 135 LEU H . 26815 1 590 . 1 1 135 135 LEU C C 13 178.539 0.15 . 1 . . . . 135 LEU C . 26815 1 591 . 1 1 135 135 LEU CA C 13 55.376 0.15 . 1 . . . . 135 LEU CA . 26815 1 592 . 1 1 135 135 LEU CB C 13 42.829 0.15 . 1 . . . . 135 LEU CB . 26815 1 593 . 1 1 135 135 LEU N N 15 117.084 0.1 . 1 . . . . 135 LEU N . 26815 1 594 . 1 1 136 136 GLY H H 1 8.455 0.02 . 1 . . . . 136 GLY H . 26815 1 595 . 1 1 136 136 GLY C C 13 173.323 0.15 . 1 . . . . 136 GLY C . 26815 1 596 . 1 1 136 136 GLY CA C 13 45.733 0.15 . 1 . . . . 136 GLY CA . 26815 1 597 . 1 1 136 136 GLY N N 15 108.602 0.1 . 1 . . . . 136 GLY N . 26815 1 598 . 1 1 137 137 LYS H H 1 7.147 0.02 . 1 . . . . 137 LYS H . 26815 1 599 . 1 1 137 137 LYS C C 13 173.647 0.15 . 1 . . . . 137 LYS C . 26815 1 600 . 1 1 137 137 LYS CA C 13 53.459 0.15 . 1 . . . . 137 LYS CA . 26815 1 601 . 1 1 137 137 LYS CB C 13 34.766 0.15 . 1 . . . . 137 LYS CB . 26815 1 602 . 1 1 137 137 LYS N N 15 115.926 0.1 . 1 . . . . 137 LYS N . 26815 1 603 . 1 1 138 138 THR H H 1 7.907 0.02 . 1 . . . . 138 THR H . 26815 1 604 . 1 1 138 138 THR C C 13 174.050 0.15 . 1 . . . . 138 THR C . 26815 1 605 . 1 1 138 138 THR CA C 13 62.904 0.15 . 1 . . . . 138 THR CA . 26815 1 606 . 1 1 138 138 THR CB C 13 69.291 0.15 . 1 . . . . 138 THR CB . 26815 1 607 . 1 1 138 138 THR N N 15 114.735 0.1 . 1 . . . . 138 THR N . 26815 1 608 . 1 1 139 139 VAL H H 1 10.218 0.02 . 1 . . . . 139 VAL H . 26815 1 609 . 1 1 139 139 VAL C C 13 174.005 0.15 . 1 . . . . 139 VAL C . 26815 1 610 . 1 1 139 139 VAL CA C 13 61.541 0.15 . 1 . . . . 139 VAL CA . 26815 1 611 . 1 1 139 139 VAL CB C 13 32.642 0.15 . 1 . . . . 139 VAL CB . 26815 1 612 . 1 1 139 139 VAL N N 15 130.242 0.1 . 1 . . . . 139 VAL N . 26815 1 613 . 1 1 140 140 THR H H 1 8.644 0.02 . 1 . . . . 140 THR H . 26815 1 614 . 1 1 140 140 THR C C 13 173.526 0.15 . 1 . . . . 140 THR C . 26815 1 615 . 1 1 140 140 THR CA C 13 61.760 0.15 . 1 . . . . 140 THR CA . 26815 1 616 . 1 1 140 140 THR CB C 13 70.339 0.15 . 1 . . . . 140 THR CB . 26815 1 617 . 1 1 140 140 THR N N 15 116.896 0.1 . 1 . . . . 140 THR N . 26815 1 618 . 1 1 141 141 ASN H H 1 8.450 0.02 . 1 . . . . 141 ASN H . 26815 1 619 . 1 1 141 141 ASN C C 13 174.717 0.15 . 1 . . . . 141 ASN C . 26815 1 620 . 1 1 141 141 ASN CA C 13 52.487 0.15 . 1 . . . . 141 ASN CA . 26815 1 621 . 1 1 141 141 ASN CB C 13 40.166 0.15 . 1 . . . . 141 ASN CB . 26815 1 622 . 1 1 141 141 ASN N N 15 122.469 0.1 . 1 . . . . 141 ASN N . 26815 1 623 . 1 1 142 142 ALA H H 1 8.542 0.02 . 1 . . . . 142 ALA H . 26815 1 624 . 1 1 142 142 ALA C C 13 176.678 0.15 . 1 . . . . 142 ALA C . 26815 1 625 . 1 1 142 142 ALA CA C 13 50.190 0.15 . 1 . . . . 142 ALA CA . 26815 1 626 . 1 1 142 142 ALA CB C 13 23.140 0.15 . 1 . . . . 142 ALA CB . 26815 1 627 . 1 1 142 142 ALA N N 15 120.151 0.1 . 1 . . . . 142 ALA N . 26815 1 628 . 1 1 143 143 VAL H H 1 8.535 0.02 . 1 . . . . 143 VAL H . 26815 1 629 . 1 1 143 143 VAL C C 13 174.019 0.15 . 1 . . . . 143 VAL C . 26815 1 630 . 1 1 143 143 VAL CA C 13 61.504 0.15 . 1 . . . . 143 VAL CA . 26815 1 631 . 1 1 143 143 VAL CB C 13 33.131 0.15 . 1 . . . . 143 VAL CB . 26815 1 632 . 1 1 143 143 VAL N N 15 121.518 0.1 . 1 . . . . 143 VAL N . 26815 1 633 . 1 1 144 144 VAL H H 1 7.372 0.02 . 1 . . . . 144 VAL H . 26815 1 634 . 1 1 144 144 VAL C C 13 174.049 0.15 . 1 . . . . 144 VAL C . 26815 1 635 . 1 1 144 144 VAL CA C 13 59.233 0.15 . 1 . . . . 144 VAL CA . 26815 1 636 . 1 1 144 144 VAL CB C 13 33.879 0.15 . 1 . . . . 144 VAL CB . 26815 1 637 . 1 1 144 144 VAL N N 15 126.528 0.1 . 1 . . . . 144 VAL N . 26815 1 638 . 1 1 145 145 THR H H 1 7.827 0.02 . 1 . . . . 145 THR H . 26815 1 639 . 1 1 145 145 THR C C 13 174.035 0.15 . 1 . . . . 145 THR C . 26815 1 640 . 1 1 145 145 THR CA C 13 59.182 0.15 . 1 . . . . 145 THR CA . 26815 1 641 . 1 1 145 145 THR CB C 13 69.126 0.15 . 1 . . . . 145 THR CB . 26815 1 642 . 1 1 145 145 THR N N 15 115.978 0.1 . 1 . . . . 145 THR N . 26815 1 643 . 1 1 146 146 VAL H H 1 7.840 0.02 . 1 . . . . 146 VAL H . 26815 1 644 . 1 1 146 146 VAL C C 13 173.045 0.15 . 1 . . . . 146 VAL C . 26815 1 645 . 1 1 146 146 VAL CA C 13 57.580 0.15 . 1 . . . . 146 VAL CA . 26815 1 646 . 1 1 146 146 VAL CB C 13 32.766 0.15 . 1 . . . . 146 VAL CB . 26815 1 647 . 1 1 146 146 VAL N N 15 108.087 0.1 . 1 . . . . 146 VAL N . 26815 1 648 . 1 1 147 147 PRO C C 13 177.417 0.15 . 1 . . . . 147 PRO C . 26815 1 649 . 1 1 147 147 PRO CA C 13 65.870 0.15 . 1 . . . . 147 PRO CA . 26815 1 650 . 1 1 148 148 ALA H H 1 11.139 0.02 . 1 . . . . 148 ALA H . 26815 1 651 . 1 1 148 148 ALA C C 13 179.206 0.15 . 1 . . . . 148 ALA C . 26815 1 652 . 1 1 148 148 ALA N N 15 116.080 0.1 . 1 . . . . 148 ALA N . 26815 1 653 . 1 1 149 149 TYR H H 1 7.861 0.02 . 1 . . . . 149 TYR H . 26815 1 654 . 1 1 149 149 TYR C C 13 178.812 0.15 . 1 . . . . 149 TYR C . 26815 1 655 . 1 1 149 149 TYR CA C 13 57.170 0.15 . 1 . . . . 149 TYR CA . 26815 1 656 . 1 1 149 149 TYR CB C 13 40.054 0.15 . 1 . . . . 149 TYR CB . 26815 1 657 . 1 1 149 149 TYR N N 15 118.886 0.1 . 1 . . . . 149 TYR N . 26815 1 658 . 1 1 150 150 PHE H H 1 6.792 0.02 . 1 . . . . 150 PHE H . 26815 1 659 . 1 1 150 150 PHE C C 13 180.150 0.15 . 1 . . . . 150 PHE C . 26815 1 660 . 1 1 150 150 PHE CA C 13 55.612 0.15 . 1 . . . . 150 PHE CA . 26815 1 661 . 1 1 150 150 PHE CB C 13 35.769 0.15 . 1 . . . . 150 PHE CB . 26815 1 662 . 1 1 150 150 PHE N N 15 122.247 0.1 . 1 . . . . 150 PHE N . 26815 1 663 . 1 1 151 151 ASN H H 1 8.248 0.02 . 1 . . . . 151 ASN H . 26815 1 664 . 1 1 151 151 ASN C C 13 176.197 0.15 . 1 . . . . 151 ASN C . 26815 1 665 . 1 1 151 151 ASN CB C 13 38.443 0.15 . 1 . . . . 151 ASN CB . 26815 1 666 . 1 1 151 151 ASN N N 15 122.071 0.1 . 1 . . . . 151 ASN N . 26815 1 667 . 1 1 152 152 ASP H H 1 8.558 0.02 . 1 . . . . 152 ASP H . 26815 1 668 . 1 1 152 152 ASP C C 13 178.655 0.15 . 1 . . . . 152 ASP C . 26815 1 669 . 1 1 152 152 ASP CA C 13 57.992 0.15 . 1 . . . . 152 ASP CA . 26815 1 670 . 1 1 152 152 ASP CB C 13 39.720 0.15 . 1 . . . . 152 ASP CB . 26815 1 671 . 1 1 152 152 ASP N N 15 117.977 0.1 . 1 . . . . 152 ASP N . 26815 1 672 . 1 1 153 153 SER H H 1 8.178 0.02 . 1 . . . . 153 SER H . 26815 1 673 . 1 1 153 153 SER C C 13 177.820 0.15 . 1 . . . . 153 SER C . 26815 1 674 . 1 1 153 153 SER CA C 13 61.227 0.15 . 1 . . . . 153 SER CA . 26815 1 675 . 1 1 153 153 SER CB C 13 62.005 0.15 . 1 . . . . 153 SER CB . 26815 1 676 . 1 1 153 153 SER N N 15 117.954 0.1 . 1 . . . . 153 SER N . 26815 1 677 . 1 1 154 154 GLN H H 1 8.639 0.02 . 1 . . . . 154 GLN H . 26815 1 678 . 1 1 154 154 GLN C C 13 179.166 0.15 . 1 . . . . 154 GLN C . 26815 1 679 . 1 1 154 154 GLN CA C 13 58.908 0.15 . 1 . . . . 154 GLN CA . 26815 1 680 . 1 1 154 154 GLN CB C 13 28.568 0.15 . 1 . . . . 154 GLN CB . 26815 1 681 . 1 1 154 154 GLN N N 15 122.541 0.1 . 1 . . . . 154 GLN N . 26815 1 682 . 1 1 155 155 ARG H H 1 8.618 0.02 . 1 . . . . 155 ARG H . 26815 1 683 . 1 1 155 155 ARG C C 13 177.735 0.15 . 1 . . . . 155 ARG C . 26815 1 684 . 1 1 155 155 ARG CA C 13 60.629 0.15 . 1 . . . . 155 ARG CA . 26815 1 685 . 1 1 155 155 ARG CB C 13 28.879 0.15 . 1 . . . . 155 ARG CB . 26815 1 686 . 1 1 155 155 ARG N N 15 121.486 0.1 . 1 . . . . 155 ARG N . 26815 1 687 . 1 1 156 156 GLN H H 1 8.625 0.02 . 1 . . . . 156 GLN H . 26815 1 688 . 1 1 156 156 GLN C C 13 177.494 0.15 . 1 . . . . 156 GLN C . 26815 1 689 . 1 1 156 156 GLN CA C 13 57.962 0.15 . 1 . . . . 156 GLN CA . 26815 1 690 . 1 1 156 156 GLN CB C 13 27.053 0.15 . 1 . . . . 156 GLN CB . 26815 1 691 . 1 1 156 156 GLN N N 15 120.416 0.1 . 1 . . . . 156 GLN N . 26815 1 692 . 1 1 157 157 ALA H H 1 8.105 0.02 . 1 . . . . 157 ALA H . 26815 1 693 . 1 1 157 157 ALA C C 13 179.245 0.15 . 1 . . . . 157 ALA C . 26815 1 694 . 1 1 157 157 ALA CA C 13 54.289 0.15 . 1 . . . . 157 ALA CA . 26815 1 695 . 1 1 157 157 ALA CB C 13 18.874 0.15 . 1 . . . . 157 ALA CB . 26815 1 696 . 1 1 157 157 ALA N N 15 120.502 0.1 . 1 . . . . 157 ALA N . 26815 1 697 . 1 1 158 158 THR H H 1 7.366 0.02 . 1 . . . . 158 THR H . 26815 1 698 . 1 1 158 158 THR C C 13 175.248 0.15 . 1 . . . . 158 THR C . 26815 1 699 . 1 1 158 158 THR CA C 13 67.748 0.15 . 1 . . . . 158 THR CA . 26815 1 700 . 1 1 158 158 THR N N 15 115.521 0.1 . 1 . . . . 158 THR N . 26815 1 701 . 1 1 159 159 LYS H H 1 8.020 0.02 . 1 . . . . 159 LYS H . 26815 1 702 . 1 1 159 159 LYS C C 13 178.766 0.15 . 1 . . . . 159 LYS C . 26815 1 703 . 1 1 159 159 LYS CA C 13 60.535 0.15 . 1 . . . . 159 LYS CA . 26815 1 704 . 1 1 159 159 LYS CB C 13 30.624 0.15 . 1 . . . . 159 LYS CB . 26815 1 705 . 1 1 159 159 LYS N N 15 123.622 0.1 . 1 . . . . 159 LYS N . 26815 1 706 . 1 1 160 160 ASP H H 1 8.950 0.02 . 1 . . . . 160 ASP H . 26815 1 707 . 1 1 160 160 ASP C C 13 177.865 0.15 . 1 . . . . 160 ASP C . 26815 1 708 . 1 1 160 160 ASP CA C 13 56.911 0.15 . 1 . . . . 160 ASP CA . 26815 1 709 . 1 1 160 160 ASP CB C 13 38.836 0.15 . 1 . . . . 160 ASP CB . 26815 1 710 . 1 1 160 160 ASP N N 15 120.714 0.1 . 1 . . . . 160 ASP N . 26815 1 711 . 1 1 161 161 ALA H H 1 7.973 0.02 . 1 . . . . 161 ALA H . 26815 1 712 . 1 1 161 161 ALA C C 13 179.305 0.15 . 1 . . . . 161 ALA C . 26815 1 713 . 1 1 161 161 ALA CA C 13 54.594 0.15 . 1 . . . . 161 ALA CA . 26815 1 714 . 1 1 161 161 ALA CB C 13 17.317 0.15 . 1 . . . . 161 ALA CB . 26815 1 715 . 1 1 161 161 ALA N N 15 122.279 0.1 . 1 . . . . 161 ALA N . 26815 1 716 . 1 1 162 162 GLY H H 1 7.727 0.02 . 1 . . . . 162 GLY H . 26815 1 717 . 1 1 162 162 GLY C C 13 174.254 0.15 . 1 . . . . 162 GLY C . 26815 1 718 . 1 1 162 162 GLY CA C 13 47.223 0.15 . 1 . . . . 162 GLY CA . 26815 1 719 . 1 1 162 162 GLY N N 15 105.133 0.1 . 1 . . . . 162 GLY N . 26815 1 720 . 1 1 163 163 THR C C 13 179.507 0.15 . 1 . . . . 163 THR C . 26815 1 721 . 1 1 163 163 THR CA C 13 66.234 0.15 . 1 . . . . 163 THR CA . 26815 1 722 . 1 1 163 163 THR CB C 13 67.954 0.15 . 1 . . . . 163 THR CB . 26815 1 723 . 1 1 164 164 ILE H H 1 8.903 0.02 . 1 . . . . 164 ILE H . 26815 1 724 . 1 1 164 164 ILE C C 13 177.564 0.15 . 1 . . . . 164 ILE C . 26815 1 725 . 1 1 164 164 ILE CA C 13 64.985 0.15 . 1 . . . . 164 ILE CA . 26815 1 726 . 1 1 164 164 ILE CB C 13 37.589 0.15 . 1 . . . . 164 ILE CB . 26815 1 727 . 1 1 164 164 ILE N N 15 125.506 0.1 . 1 . . . . 164 ILE N . 26815 1 728 . 1 1 165 165 ALA H H 1 7.339 0.02 . 1 . . . . 165 ALA H . 26815 1 729 . 1 1 165 165 ALA C C 13 176.232 0.15 . 1 . . . . 165 ALA C . 26815 1 730 . 1 1 165 165 ALA CA C 13 52.077 0.15 . 1 . . . . 165 ALA CA . 26815 1 731 . 1 1 165 165 ALA CB C 13 18.682 0.15 . 1 . . . . 165 ALA CB . 26815 1 732 . 1 1 165 165 ALA N N 15 120.913 0.1 . 1 . . . . 165 ALA N . 26815 1 733 . 1 1 166 166 GLY H H 1 7.878 0.02 . 1 . . . . 166 GLY H . 26815 1 734 . 1 1 166 166 GLY C C 13 174.719 0.15 . 1 . . . . 166 GLY C . 26815 1 735 . 1 1 166 166 GLY CA C 13 44.704 0.15 . 1 . . . . 166 GLY CA . 26815 1 736 . 1 1 166 166 GLY N N 15 106.263 0.1 . 1 . . . . 166 GLY N . 26815 1 737 . 1 1 167 167 LEU H H 1 8.131 0.02 . 1 . . . . 167 LEU H . 26815 1 738 . 1 1 167 167 LEU C C 13 175.619 0.15 . 1 . . . . 167 LEU C . 26815 1 739 . 1 1 167 167 LEU CA C 13 52.307 0.15 . 1 . . . . 167 LEU CA . 26815 1 740 . 1 1 167 167 LEU CB C 13 42.014 0.15 . 1 . . . . 167 LEU CB . 26815 1 741 . 1 1 167 167 LEU N N 15 119.698 0.1 . 1 . . . . 167 LEU N . 26815 1 742 . 1 1 168 168 ASN H H 1 8.933 0.02 . 1 . . . . 168 ASN H . 26815 1 743 . 1 1 168 168 ASN C C 13 174.054 0.15 . 1 . . . . 168 ASN C . 26815 1 744 . 1 1 168 168 ASN CA C 13 51.883 0.15 . 1 . . . . 168 ASN CA . 26815 1 745 . 1 1 168 168 ASN CB C 13 37.574 0.15 . 1 . . . . 168 ASN CB . 26815 1 746 . 1 1 168 168 ASN N N 15 121.938 0.1 . 1 . . . . 168 ASN N . 26815 1 747 . 1 1 169 169 VAL H H 1 8.362 0.02 . 1 . . . . 169 VAL H . 26815 1 748 . 1 1 169 169 VAL C C 13 175.559 0.15 . 1 . . . . 169 VAL C . 26815 1 749 . 1 1 169 169 VAL CA C 13 61.522 0.15 . 1 . . . . 169 VAL CA . 26815 1 750 . 1 1 169 169 VAL CB C 13 29.129 0.15 . 1 . . . . 169 VAL CB . 26815 1 751 . 1 1 169 169 VAL N N 15 126.755 0.1 . 1 . . . . 169 VAL N . 26815 1 752 . 1 1 170 170 LEU H H 1 9.065 0.02 . 1 . . . . 170 LEU H . 26815 1 753 . 1 1 170 170 LEU C C 13 177.527 0.15 . 1 . . . . 170 LEU C . 26815 1 754 . 1 1 170 170 LEU CA C 13 56.274 0.15 . 1 . . . . 170 LEU CA . 26815 1 755 . 1 1 170 170 LEU CB C 13 42.313 0.15 . 1 . . . . 170 LEU CB . 26815 1 756 . 1 1 170 170 LEU N N 15 131.052 0.1 . 1 . . . . 170 LEU N . 26815 1 757 . 1 1 171 171 ARG H H 1 7.033 0.02 . 1 . . . . 171 ARG H . 26815 1 758 . 1 1 171 171 ARG C C 13 173.228 0.15 . 1 . . . . 171 ARG C . 26815 1 759 . 1 1 171 171 ARG CA C 13 54.862 0.15 . 1 . . . . 171 ARG CA . 26815 1 760 . 1 1 171 171 ARG CB C 13 33.489 0.15 . 1 . . . . 171 ARG CB . 26815 1 761 . 1 1 171 171 ARG N N 15 113.481 0.1 . 1 . . . . 171 ARG N . 26815 1 762 . 1 1 172 172 ILE H H 1 8.356 0.02 . 1 . . . . 172 ILE H . 26815 1 763 . 1 1 172 172 ILE C C 13 176.835 0.15 . 1 . . . . 172 ILE C . 26815 1 764 . 1 1 172 172 ILE CA C 13 57.963 0.15 . 1 . . . . 172 ILE CA . 26815 1 765 . 1 1 172 172 ILE CB C 13 36.244 0.15 . 1 . . . . 172 ILE CB . 26815 1 766 . 1 1 172 172 ILE N N 15 125.758 0.1 . 1 . . . . 172 ILE N . 26815 1 767 . 1 1 173 173 ILE H H 1 7.624 0.02 . 1 . . . . 173 ILE H . 26815 1 768 . 1 1 173 173 ILE C C 13 174.000 0.15 . 1 . . . . 173 ILE C . 26815 1 769 . 1 1 173 173 ILE CA C 13 57.464 0.15 . 1 . . . . 173 ILE CA . 26815 1 770 . 1 1 173 173 ILE CB C 13 40.045 0.15 . 1 . . . . 173 ILE CB . 26815 1 771 . 1 1 173 173 ILE N N 15 120.646 0.1 . 1 . . . . 173 ILE N . 26815 1 772 . 1 1 174 174 ASN H H 1 8.571 0.02 . 1 . . . . 174 ASN H . 26815 1 773 . 1 1 174 174 ASN C C 13 176.825 0.15 . 1 . . . . 174 ASN C . 26815 1 774 . 1 1 174 174 ASN CA C 13 51.361 0.15 . 1 . . . . 174 ASN CA . 26815 1 775 . 1 1 174 174 ASN CB C 13 37.928 0.15 . 1 . . . . 174 ASN CB . 26815 1 776 . 1 1 174 174 ASN N N 15 119.618 0.1 . 1 . . . . 174 ASN N . 26815 1 777 . 1 1 175 175 GLU H H 1 9.101 0.02 . 1 . . . . 175 GLU H . 26815 1 778 . 1 1 175 175 GLU C C 13 174.282 0.15 . 1 . . . . 175 GLU C . 26815 1 779 . 1 1 175 175 GLU CA C 13 60.463 0.15 . 1 . . . . 175 GLU CA . 26815 1 780 . 1 1 175 175 GLU CB C 13 26.243 0.15 . 1 . . . . 175 GLU CB . 26815 1 781 . 1 1 175 175 GLU N N 15 122.976 0.1 . 1 . . . . 175 GLU N . 26815 1 782 . 1 1 176 176 PRO C C 13 177.394 0.15 . 1 . . . . 176 PRO C . 26815 1 783 . 1 1 176 176 PRO CA C 13 65.060 0.15 . 1 . . . . 176 PRO CA . 26815 1 784 . 1 1 176 176 PRO CB C 13 29.485 0.15 . 1 . . . . 176 PRO CB . 26815 1 785 . 1 1 177 177 THR H H 1 6.546 0.02 . 1 . . . . 177 THR H . 26815 1 786 . 1 1 177 177 THR C C 13 175.222 0.15 . 1 . . . . 177 THR C . 26815 1 787 . 1 1 177 177 THR CA C 13 65.849 0.15 . 1 . . . . 177 THR CA . 26815 1 788 . 1 1 177 177 THR CB C 13 66.696 0.15 . 1 . . . . 177 THR CB . 26815 1 789 . 1 1 177 177 THR N N 15 115.093 0.1 . 1 . . . . 177 THR N . 26815 1 790 . 1 1 178 178 ALA H H 1 8.128 0.02 . 1 . . . . 178 ALA H . 26815 1 791 . 1 1 178 178 ALA C C 13 178.986 0.15 . 1 . . . . 178 ALA C . 26815 1 792 . 1 1 178 178 ALA CA C 13 55.039 0.15 . 1 . . . . 178 ALA CA . 26815 1 793 . 1 1 178 178 ALA CB C 13 17.510 0.15 . 1 . . . . 178 ALA CB . 26815 1 794 . 1 1 178 178 ALA N N 15 123.362 0.1 . 1 . . . . 178 ALA N . 26815 1 795 . 1 1 179 179 ALA H H 1 8.616 0.02 . 1 . . . . 179 ALA H . 26815 1 796 . 1 1 179 179 ALA C C 13 177.867 0.15 . 1 . . . . 179 ALA C . 26815 1 797 . 1 1 179 179 ALA CA C 13 54.538 0.15 . 1 . . . . 179 ALA CA . 26815 1 798 . 1 1 179 179 ALA N N 15 120.655 0.1 . 1 . . . . 179 ALA N . 26815 1 799 . 1 1 180 180 ALA H H 1 7.626 0.02 . 1 . . . . 180 ALA H . 26815 1 800 . 1 1 180 180 ALA C C 13 180.120 0.15 . 1 . . . . 180 ALA C . 26815 1 801 . 1 1 180 180 ALA CA C 13 54.783 0.15 . 1 . . . . 180 ALA CA . 26815 1 802 . 1 1 180 180 ALA CB C 13 17.826 0.15 . 1 . . . . 180 ALA CB . 26815 1 803 . 1 1 180 180 ALA N N 15 118.790 0.1 . 1 . . . . 180 ALA N . 26815 1 804 . 1 1 181 181 ILE H H 1 8.482 0.02 . 1 . . . . 181 ILE H . 26815 1 805 . 1 1 181 181 ILE C C 13 180.670 0.15 . 1 . . . . 181 ILE C . 26815 1 806 . 1 1 181 181 ILE CA C 13 64.739 0.15 . 1 . . . . 181 ILE CA . 26815 1 807 . 1 1 181 181 ILE CB C 13 37.086 0.15 . 1 . . . . 181 ILE CB . 26815 1 808 . 1 1 181 181 ILE N N 15 120.845 0.1 . 1 . . . . 181 ILE N . 26815 1 809 . 1 1 182 182 ALA H H 1 8.313 0.02 . 1 . . . . 182 ALA H . 26815 1 810 . 1 1 182 182 ALA C C 13 177.345 0.15 . 1 . . . . 182 ALA C . 26815 1 811 . 1 1 182 182 ALA CA C 13 55.391 0.15 . 1 . . . . 182 ALA CA . 26815 1 812 . 1 1 182 182 ALA CB C 13 17.054 0.15 . 1 . . . . 182 ALA CB . 26815 1 813 . 1 1 182 182 ALA N N 15 125.962 0.1 . 1 . . . . 182 ALA N . 26815 1 814 . 1 1 183 183 TYR H H 1 6.805 0.02 . 1 . . . . 183 TYR H . 26815 1 815 . 1 1 183 183 TYR C C 13 175.669 0.15 . 1 . . . . 183 TYR C . 26815 1 816 . 1 1 183 183 TYR CA C 13 59.732 0.15 . 1 . . . . 183 TYR CA . 26815 1 817 . 1 1 183 183 TYR CB C 13 38.770 0.15 . 1 . . . . 183 TYR CB . 26815 1 818 . 1 1 183 183 TYR N N 15 111.261 0.1 . 1 . . . . 183 TYR N . 26815 1 819 . 1 1 184 184 GLY H H 1 8.327 0.02 . 1 . . . . 184 GLY H . 26815 1 820 . 1 1 184 184 GLY C C 13 177.541 0.15 . 1 . . . . 184 GLY C . 26815 1 821 . 1 1 184 184 GLY CA C 13 45.932 0.15 . 1 . . . . 184 GLY CA . 26815 1 822 . 1 1 184 184 GLY N N 15 110.093 0.1 . 1 . . . . 184 GLY N . 26815 1 823 . 1 1 185 185 LEU H H 1 7.908 0.02 . 1 . . . . 185 LEU H . 26815 1 824 . 1 1 185 185 LEU C C 13 176.084 0.15 . 1 . . . . 185 LEU C . 26815 1 825 . 1 1 185 185 LEU CA C 13 56.394 0.15 . 1 . . . . 185 LEU CA . 26815 1 826 . 1 1 185 185 LEU CB C 13 39.595 0.15 . 1 . . . . 185 LEU CB . 26815 1 827 . 1 1 185 185 LEU N N 15 117.574 0.1 . 1 . . . . 185 LEU N . 26815 1 828 . 1 1 186 186 ASP H H 1 9.787 0.02 . 1 . . . . 186 ASP H . 26815 1 829 . 1 1 186 186 ASP C C 13 175.749 0.15 . 1 . . . . 186 ASP C . 26815 1 830 . 1 1 186 186 ASP CA C 13 53.632 0.15 . 1 . . . . 186 ASP CA . 26815 1 831 . 1 1 186 186 ASP CB C 13 38.244 0.15 . 1 . . . . 186 ASP CB . 26815 1 832 . 1 1 186 186 ASP N N 15 113.967 0.1 . 1 . . . . 186 ASP N . 26815 1 833 . 1 1 187 187 LYS H H 1 7.193 0.02 . 1 . . . . 187 LYS H . 26815 1 834 . 1 1 187 187 LYS C C 13 176.658 0.15 . 1 . . . . 187 LYS C . 26815 1 835 . 1 1 187 187 LYS CA C 13 54.740 0.15 . 1 . . . . 187 LYS CA . 26815 1 836 . 1 1 187 187 LYS CB C 13 31.132 0.15 . 1 . . . . 187 LYS CB . 26815 1 837 . 1 1 187 187 LYS N N 15 118.847 0.1 . 1 . . . . 187 LYS N . 26815 1 838 . 1 1 188 188 LYS H H 1 7.349 0.02 . 1 . . . . 188 LYS H . 26815 1 839 . 1 1 188 188 LYS C C 13 176.179 0.15 . 1 . . . . 188 LYS C . 26815 1 840 . 1 1 188 188 LYS CA C 13 55.679 0.15 . 1 . . . . 188 LYS CA . 26815 1 841 . 1 1 188 188 LYS CB C 13 31.171 0.15 . 1 . . . . 188 LYS CB . 26815 1 842 . 1 1 188 188 LYS N N 15 121.806 0.1 . 1 . . . . 188 LYS N . 26815 1 843 . 1 1 189 189 VAL H H 1 8.123 0.02 . 1 . . . . 189 VAL H . 26815 1 844 . 1 1 189 189 VAL C C 13 176.378 0.15 . 1 . . . . 189 VAL C . 26815 1 845 . 1 1 189 189 VAL CA C 13 61.489 0.15 . 1 . . . . 189 VAL CA . 26815 1 846 . 1 1 189 189 VAL CB C 13 32.095 0.15 . 1 . . . . 189 VAL CB . 26815 1 847 . 1 1 189 189 VAL N N 15 121.940 0.1 . 1 . . . . 189 VAL N . 26815 1 848 . 1 1 190 190 GLY H H 1 8.488 0.02 . 1 . . . . 190 GLY H . 26815 1 849 . 1 1 190 190 GLY C C 13 173.208 0.15 . 1 . . . . 190 GLY C . 26815 1 850 . 1 1 190 190 GLY CA C 13 44.628 0.15 . 1 . . . . 190 GLY CA . 26815 1 851 . 1 1 190 190 GLY N N 15 113.563 0.1 . 1 . . . . 190 GLY N . 26815 1 852 . 1 1 191 191 ALA H H 1 7.954 0.02 . 1 . . . . 191 ALA H . 26815 1 853 . 1 1 191 191 ALA C C 13 176.469 0.15 . 1 . . . . 191 ALA C . 26815 1 854 . 1 1 191 191 ALA CA C 13 51.594 0.15 . 1 . . . . 191 ALA CA . 26815 1 855 . 1 1 191 191 ALA CB C 13 19.057 0.15 . 1 . . . . 191 ALA CB . 26815 1 856 . 1 1 191 191 ALA N N 15 124.506 0.1 . 1 . . . . 191 ALA N . 26815 1 857 . 1 1 192 192 GLU H H 1 8.345 0.02 . 1 . . . . 192 GLU H . 26815 1 858 . 1 1 192 192 GLU C C 13 174.863 0.15 . 1 . . . . 192 GLU C . 26815 1 859 . 1 1 192 192 GLU CA C 13 55.912 0.15 . 1 . . . . 192 GLU CA . 26815 1 860 . 1 1 192 192 GLU CB C 13 29.297 0.15 . 1 . . . . 192 GLU CB . 26815 1 861 . 1 1 192 192 GLU N N 15 120.445 0.1 . 1 . . . . 192 GLU N . 26815 1 862 . 1 1 193 193 ARG H H 1 8.254 0.02 . 1 . . . . 193 ARG H . 26815 1 863 . 1 1 193 193 ARG C C 13 174.424 0.15 . 1 . . . . 193 ARG C . 26815 1 864 . 1 1 193 193 ARG CA C 13 53.765 0.15 . 1 . . . . 193 ARG CA . 26815 1 865 . 1 1 193 193 ARG CB C 13 32.443 0.15 . 1 . . . . 193 ARG CB . 26815 1 866 . 1 1 193 193 ARG N N 15 123.949 0.1 . 1 . . . . 193 ARG N . 26815 1 867 . 1 1 194 194 ASN H H 1 11.647 0.02 . 1 . . . . 194 ASN H . 26815 1 868 . 1 1 194 194 ASN C C 13 174.818 0.15 . 1 . . . . 194 ASN C . 26815 1 869 . 1 1 194 194 ASN CA C 13 51.881 0.15 . 1 . . . . 194 ASN CA . 26815 1 870 . 1 1 194 194 ASN CB C 13 39.700 0.15 . 1 . . . . 194 ASN CB . 26815 1 871 . 1 1 194 194 ASN N N 15 126.849 0.1 . 1 . . . . 194 ASN N . 26815 1 872 . 1 1 195 195 VAL H H 1 9.728 0.02 . 1 . . . . 195 VAL H . 26815 1 873 . 1 1 195 195 VAL C C 13 173.535 0.15 . 1 . . . . 195 VAL C . 26815 1 874 . 1 1 195 195 VAL CA C 13 59.520 0.15 . 1 . . . . 195 VAL CA . 26815 1 875 . 1 1 195 195 VAL CB C 13 34.471 0.15 . 1 . . . . 195 VAL CB . 26815 1 876 . 1 1 195 195 VAL N N 15 125.210 0.1 . 1 . . . . 195 VAL N . 26815 1 877 . 1 1 196 196 LEU H H 1 8.833 0.02 . 1 . . . . 196 LEU H . 26815 1 878 . 1 1 196 196 LEU C C 13 173.888 0.15 . 1 . . . . 196 LEU C . 26815 1 879 . 1 1 196 196 LEU CA C 13 53.458 0.15 . 1 . . . . 196 LEU CA . 26815 1 880 . 1 1 196 196 LEU CB C 13 44.130 0.15 . 1 . . . . 196 LEU CB . 26815 1 881 . 1 1 196 196 LEU N N 15 128.399 0.1 . 1 . . . . 196 LEU N . 26815 1 882 . 1 1 197 197 ILE H H 1 9.558 0.02 . 1 . . . . 197 ILE H . 26815 1 883 . 1 1 197 197 ILE C C 13 173.563 0.15 . 1 . . . . 197 ILE C . 26815 1 884 . 1 1 197 197 ILE CA C 13 58.791 0.15 . 1 . . . . 197 ILE CA . 26815 1 885 . 1 1 197 197 ILE CB C 13 35.207 0.15 . 1 . . . . 197 ILE CB . 26815 1 886 . 1 1 197 197 ILE N N 15 128.591 0.1 . 1 . . . . 197 ILE N . 26815 1 887 . 1 1 198 198 PHE H H 1 8.830 0.02 . 1 . . . . 198 PHE H . 26815 1 888 . 1 1 198 198 PHE C C 13 171.961 0.15 . 1 . . . . 198 PHE C . 26815 1 889 . 1 1 198 198 PHE CA C 13 56.869 0.15 . 1 . . . . 198 PHE CA . 26815 1 890 . 1 1 198 198 PHE CB C 13 39.919 0.15 . 1 . . . . 198 PHE CB . 26815 1 891 . 1 1 198 198 PHE N N 15 132.755 0.1 . 1 . . . . 198 PHE N . 26815 1 892 . 1 1 199 199 ASP H H 1 8.475 0.02 . 1 . . . . 199 ASP H . 26815 1 893 . 1 1 199 199 ASP C C 13 175.592 0.15 . 1 . . . . 199 ASP C . 26815 1 894 . 1 1 199 199 ASP CA C 13 51.017 0.15 . 1 . . . . 199 ASP CA . 26815 1 895 . 1 1 199 199 ASP CB C 13 42.267 0.15 . 1 . . . . 199 ASP CB . 26815 1 896 . 1 1 199 199 ASP N N 15 127.164 0.1 . 1 . . . . 199 ASP N . 26815 1 897 . 1 1 200 200 LEU H H 1 8.098 0.02 . 1 . . . . 200 LEU H . 26815 1 898 . 1 1 200 200 LEU C C 13 175.426 0.15 . 1 . . . . 200 LEU C . 26815 1 899 . 1 1 200 200 LEU CA C 13 53.208 0.15 . 1 . . . . 200 LEU CA . 26815 1 900 . 1 1 200 200 LEU CB C 13 43.737 0.15 . 1 . . . . 200 LEU CB . 26815 1 901 . 1 1 200 200 LEU N N 15 128.061 0.1 . 1 . . . . 200 LEU N . 26815 1 902 . 1 1 201 201 GLY H H 1 8.708 0.02 . 1 . . . . 201 GLY H . 26815 1 903 . 1 1 201 201 GLY C C 13 176.687 0.15 . 1 . . . . 201 GLY C . 26815 1 904 . 1 1 201 201 GLY CA C 13 44.329 0.15 . 1 . . . . 201 GLY CA . 26815 1 905 . 1 1 201 201 GLY N N 15 115.464 0.1 . 1 . . . . 201 GLY N . 26815 1 906 . 1 1 204 204 THR C C 13 173.673 0.15 . 1 . . . . 204 THR C . 26815 1 907 . 1 1 204 204 THR CA C 13 60.364 0.15 . 1 . . . . 204 THR CA . 26815 1 908 . 1 1 204 204 THR CB C 13 72.043 0.15 . 1 . . . . 204 THR CB . 26815 1 909 . 1 1 205 205 PHE H H 1 8.329 0.02 . 1 . . . . 205 PHE H . 26815 1 910 . 1 1 205 205 PHE C C 13 174.117 0.15 . 1 . . . . 205 PHE C . 26815 1 911 . 1 1 205 205 PHE CA C 13 52.533 0.15 . 1 . . . . 205 PHE CA . 26815 1 912 . 1 1 205 205 PHE CB C 13 39.775 0.15 . 1 . . . . 205 PHE CB . 26815 1 913 . 1 1 205 205 PHE N N 15 121.691 0.1 . 1 . . . . 205 PHE N . 26815 1 914 . 1 1 206 206 ASP H H 1 9.843 0.02 . 1 . . . . 206 ASP H . 26815 1 915 . 1 1 206 206 ASP C C 13 173.017 0.15 . 1 . . . . 206 ASP C . 26815 1 916 . 1 1 206 206 ASP CA C 13 53.427 0.15 . 1 . . . . 206 ASP CA . 26815 1 917 . 1 1 206 206 ASP CB C 13 45.584 0.15 . 1 . . . . 206 ASP CB . 26815 1 918 . 1 1 206 206 ASP N N 15 128.474 0.1 . 1 . . . . 206 ASP N . 26815 1 919 . 1 1 207 207 VAL H H 1 8.586 0.02 . 1 . . . . 207 VAL H . 26815 1 920 . 1 1 207 207 VAL C C 13 174.733 0.15 . 1 . . . . 207 VAL C . 26815 1 921 . 1 1 207 207 VAL CA C 13 59.772 0.15 . 1 . . . . 207 VAL CA . 26815 1 922 . 1 1 207 207 VAL CB C 13 32.393 0.15 . 1 . . . . 207 VAL CB . 26815 1 923 . 1 1 207 207 VAL N N 15 125.173 0.1 . 1 . . . . 207 VAL N . 26815 1 924 . 1 1 208 208 SER H H 1 8.489 0.02 . 1 . . . . 208 SER H . 26815 1 925 . 1 1 208 208 SER C C 13 172.431 0.15 . 1 . . . . 208 SER C . 26815 1 926 . 1 1 208 208 SER CA C 13 56.267 0.15 . 1 . . . . 208 SER CA . 26815 1 927 . 1 1 208 208 SER CB C 13 64.794 0.15 . 1 . . . . 208 SER CB . 26815 1 928 . 1 1 208 208 SER N N 15 119.708 0.1 . 1 . . . . 208 SER N . 26815 1 929 . 1 1 209 209 ILE H H 1 8.804 0.02 . 1 . . . . 209 ILE H . 26815 1 930 . 1 1 209 209 ILE C C 13 174.711 0.15 . 1 . . . . 209 ILE C . 26815 1 931 . 1 1 209 209 ILE CA C 13 59.477 0.15 . 1 . . . . 209 ILE CA . 26815 1 932 . 1 1 209 209 ILE CB C 13 36.273 0.15 . 1 . . . . 209 ILE CB . 26815 1 933 . 1 1 209 209 ILE N N 15 124.747 0.1 . 1 . . . . 209 ILE N . 26815 1 934 . 1 1 210 210 LEU H H 1 9.473 0.02 . 1 . . . . 210 LEU H . 26815 1 935 . 1 1 210 210 LEU C C 13 176.020 0.15 . 1 . . . . 210 LEU C . 26815 1 936 . 1 1 210 210 LEU CA C 13 51.911 0.15 . 1 . . . . 210 LEU CA . 26815 1 937 . 1 1 210 210 LEU CB C 13 44.265 0.15 . 1 . . . . 210 LEU CB . 26815 1 938 . 1 1 210 210 LEU N N 15 128.501 0.1 . 1 . . . . 210 LEU N . 26815 1 939 . 1 1 211 211 THR H H 1 9.142 0.02 . 1 . . . . 211 THR H . 26815 1 940 . 1 1 211 211 THR C C 13 173.878 0.15 . 1 . . . . 211 THR C . 26815 1 941 . 1 1 211 211 THR CA C 13 61.123 0.15 . 1 . . . . 211 THR CA . 26815 1 942 . 1 1 211 211 THR CB C 13 70.584 0.15 . 1 . . . . 211 THR CB . 26815 1 943 . 1 1 211 211 THR N N 15 117.514 0.1 . 1 . . . . 211 THR N . 26815 1 944 . 1 1 212 212 ILE H H 1 8.954 0.02 . 1 . . . . 212 ILE H . 26815 1 945 . 1 1 212 212 ILE C C 13 175.466 0.15 . 1 . . . . 212 ILE C . 26815 1 946 . 1 1 212 212 ILE CA C 13 59.166 0.15 . 1 . . . . 212 ILE CA . 26815 1 947 . 1 1 212 212 ILE CB C 13 38.410 0.15 . 1 . . . . 212 ILE CB . 26815 1 948 . 1 1 212 212 ILE N N 15 125.845 0.1 . 1 . . . . 212 ILE N . 26815 1 949 . 1 1 213 213 GLU H H 1 8.305 0.02 . 1 . . . . 213 GLU H . 26815 1 950 . 1 1 213 213 GLU C C 13 175.524 0.15 . 1 . . . . 213 GLU C . 26815 1 951 . 1 1 213 213 GLU CA C 13 55.184 0.15 . 1 . . . . 213 GLU CA . 26815 1 952 . 1 1 213 213 GLU CB C 13 31.188 0.15 . 1 . . . . 213 GLU CB . 26815 1 953 . 1 1 213 213 GLU N N 15 128.608 0.1 . 1 . . . . 213 GLU N . 26815 1 954 . 1 1 214 214 ASP H H 1 9.433 0.02 . 1 . . . . 214 ASP H . 26815 1 955 . 1 1 214 214 ASP C C 13 175.631 0.15 . 1 . . . . 214 ASP C . 26815 1 956 . 1 1 214 214 ASP CA C 13 55.077 0.15 . 1 . . . . 214 ASP CA . 26815 1 957 . 1 1 214 214 ASP CB C 13 39.162 0.15 . 1 . . . . 214 ASP CB . 26815 1 958 . 1 1 214 214 ASP N N 15 129.343 0.1 . 1 . . . . 214 ASP N . 26815 1 959 . 1 1 215 215 GLY H H 1 8.451 0.02 . 1 . . . . 215 GLY H . 26815 1 960 . 1 1 215 215 GLY C C 13 172.661 0.15 . 1 . . . . 215 GLY C . 26815 1 961 . 1 1 215 215 GLY CA C 13 45.062 0.15 . 1 . . . . 215 GLY CA . 26815 1 962 . 1 1 215 215 GLY N N 15 103.253 0.1 . 1 . . . . 215 GLY N . 26815 1 963 . 1 1 216 216 ILE H H 1 7.700 0.02 . 1 . . . . 216 ILE H . 26815 1 964 . 1 1 216 216 ILE C C 13 175.627 0.15 . 1 . . . . 216 ILE C . 26815 1 965 . 1 1 216 216 ILE CA C 13 58.996 0.15 . 1 . . . . 216 ILE CA . 26815 1 966 . 1 1 216 216 ILE CB C 13 37.318 0.15 . 1 . . . . 216 ILE CB . 26815 1 967 . 1 1 216 216 ILE N N 15 121.941 0.1 . 1 . . . . 216 ILE N . 26815 1 968 . 1 1 217 217 PHE H H 1 8.792 0.02 . 1 . . . . 217 PHE H . 26815 1 969 . 1 1 217 217 PHE C C 13 175.893 0.15 . 1 . . . . 217 PHE C . 26815 1 970 . 1 1 217 217 PHE CA C 13 57.389 0.15 . 1 . . . . 217 PHE CA . 26815 1 971 . 1 1 217 217 PHE CB C 13 40.248 0.15 . 1 . . . . 217 PHE CB . 26815 1 972 . 1 1 217 217 PHE N N 15 126.174 0.1 . 1 . . . . 217 PHE N . 26815 1 973 . 1 1 218 218 GLU H H 1 8.986 0.02 . 1 . . . . 218 GLU H . 26815 1 974 . 1 1 218 218 GLU C C 13 175.520 0.15 . 1 . . . . 218 GLU C . 26815 1 975 . 1 1 218 218 GLU CA C 13 54.724 0.15 . 1 . . . . 218 GLU CA . 26815 1 976 . 1 1 218 218 GLU CB C 13 31.772 0.15 . 1 . . . . 218 GLU CB . 26815 1 977 . 1 1 218 218 GLU N N 15 124.163 0.1 . 1 . . . . 218 GLU N . 26815 1 978 . 1 1 219 219 VAL H H 1 8.973 0.02 . 1 . . . . 219 VAL H . 26815 1 979 . 1 1 219 219 VAL C C 13 175.947 0.15 . 1 . . . . 219 VAL C . 26815 1 980 . 1 1 219 219 VAL CA C 13 62.396 0.15 . 1 . . . . 219 VAL CA . 26815 1 981 . 1 1 219 219 VAL CB C 13 29.902 0.15 . 1 . . . . 219 VAL CB . 26815 1 982 . 1 1 219 219 VAL N N 15 126.493 0.1 . 1 . . . . 219 VAL N . 26815 1 983 . 1 1 220 220 LYS H H 1 9.393 0.02 . 1 . . . . 220 LYS H . 26815 1 984 . 1 1 220 220 LYS C C 13 176.998 0.15 . 1 . . . . 220 LYS C . 26815 1 985 . 1 1 220 220 LYS CA C 13 56.255 0.15 . 1 . . . . 220 LYS CA . 26815 1 986 . 1 1 220 220 LYS CB C 13 32.399 0.15 . 1 . . . . 220 LYS CB . 26815 1 987 . 1 1 220 220 LYS N N 15 130.854 0.1 . 1 . . . . 220 LYS N . 26815 1 988 . 1 1 221 221 SER H H 1 7.758 0.02 . 1 . . . . 221 SER H . 26815 1 989 . 1 1 221 221 SER C C 13 172.243 0.15 . 1 . . . . 221 SER C . 26815 1 990 . 1 1 221 221 SER CA C 13 57.146 0.15 . 1 . . . . 221 SER CA . 26815 1 991 . 1 1 221 221 SER CB C 13 64.304 0.15 . 1 . . . . 221 SER CB . 26815 1 992 . 1 1 221 221 SER N N 15 110.341 0.1 . 1 . . . . 221 SER N . 26815 1 993 . 1 1 222 222 THR H H 1 8.005 0.02 . 1 . . . . 222 THR H . 26815 1 994 . 1 1 222 222 THR C C 13 172.906 0.15 . 1 . . . . 222 THR C . 26815 1 995 . 1 1 222 222 THR CA C 13 59.516 0.15 . 1 . . . . 222 THR CA . 26815 1 996 . 1 1 222 222 THR CB C 13 71.790 0.15 . 1 . . . . 222 THR CB . 26815 1 997 . 1 1 222 222 THR N N 15 109.515 0.1 . 1 . . . . 222 THR N . 26815 1 998 . 1 1 223 223 ALA H H 1 9.283 0.02 . 1 . . . . 223 ALA H . 26815 1 999 . 1 1 223 223 ALA C C 13 175.446 0.15 . 1 . . . . 223 ALA C . 26815 1 1000 . 1 1 223 223 ALA CA C 13 50.572 0.15 . 1 . . . . 223 ALA CA . 26815 1 1001 . 1 1 223 223 ALA CB C 13 22.159 0.15 . 1 . . . . 223 ALA CB . 26815 1 1002 . 1 1 223 223 ALA N N 15 123.547 0.1 . 1 . . . . 223 ALA N . 26815 1 1003 . 1 1 224 224 GLY H H 1 8.565 0.02 . 1 . . . . 224 GLY H . 26815 1 1004 . 1 1 224 224 GLY C C 13 170.907 0.15 . 1 . . . . 224 GLY C . 26815 1 1005 . 1 1 224 224 GLY CA C 13 43.985 0.15 . 1 . . . . 224 GLY CA . 26815 1 1006 . 1 1 224 224 GLY N N 15 115.783 0.1 . 1 . . . . 224 GLY N . 26815 1 1007 . 1 1 225 225 ASP H H 1 9.162 0.02 . 1 . . . . 225 ASP H . 26815 1 1008 . 1 1 225 225 ASP C C 13 176.352 0.15 . 1 . . . . 225 ASP C . 26815 1 1009 . 1 1 225 225 ASP CA C 13 53.378 0.15 . 1 . . . . 225 ASP CA . 26815 1 1010 . 1 1 225 225 ASP CB C 13 43.337 0.15 . 1 . . . . 225 ASP CB . 26815 1 1011 . 1 1 225 225 ASP N N 15 120.985 0.1 . 1 . . . . 225 ASP N . 26815 1 1012 . 1 1 226 226 THR H H 1 8.815 0.02 . 1 . . . . 226 THR H . 26815 1 1013 . 1 1 226 226 THR C C 13 173.673 0.15 . 1 . . . . 226 THR C . 26815 1 1014 . 1 1 226 226 THR CA C 13 62.653 0.15 . 1 . . . . 226 THR CA . 26815 1 1015 . 1 1 226 226 THR CB C 13 68.785 0.15 . 1 . . . . 226 THR CB . 26815 1 1016 . 1 1 226 226 THR N N 15 118.913 0.1 . 1 . . . . 226 THR N . 26815 1 1017 . 1 1 227 227 HIS H H 1 9.579 0.02 . 1 . . . . 227 HIS H . 26815 1 1018 . 1 1 227 227 HIS C C 13 172.519 0.15 . 1 . . . . 227 HIS C . 26815 1 1019 . 1 1 227 227 HIS CA C 13 54.788 0.15 . 1 . . . . 227 HIS CA . 26815 1 1020 . 1 1 227 227 HIS CB C 13 27.672 0.15 . 1 . . . . 227 HIS CB . 26815 1 1021 . 1 1 227 227 HIS N N 15 123.043 0.1 . 1 . . . . 227 HIS N . 26815 1 1022 . 1 1 228 228 LEU H H 1 6.679 0.02 . 1 . . . . 228 LEU H . 26815 1 1023 . 1 1 228 228 LEU C C 13 172.251 0.15 . 1 . . . . 228 LEU C . 26815 1 1024 . 1 1 228 228 LEU CA C 13 54.218 0.15 . 1 . . . . 228 LEU CA . 26815 1 1025 . 1 1 228 228 LEU CB C 13 42.680 0.15 . 1 . . . . 228 LEU CB . 26815 1 1026 . 1 1 228 228 LEU N N 15 123.763 0.1 . 1 . . . . 228 LEU N . 26815 1 1027 . 1 1 229 229 GLY H H 1 8.515 0.02 . 1 . . . . 229 GLY H . 26815 1 1028 . 1 1 229 229 GLY C C 13 172.686 0.15 . 1 . . . . 229 GLY C . 26815 1 1029 . 1 1 229 229 GLY CA C 13 43.372 0.15 . 1 . . . . 229 GLY CA . 26815 1 1030 . 1 1 229 229 GLY N N 15 107.682 0.1 . 1 . . . . 229 GLY N . 26815 1 1031 . 1 1 230 230 GLY H H 1 9.318 0.02 . 1 . . . . 230 GLY H . 26815 1 1032 . 1 1 230 230 GLY C C 13 175.742 0.15 . 1 . . . . 230 GLY C . 26815 1 1033 . 1 1 230 230 GLY CA C 13 47.226 0.15 . 1 . . . . 230 GLY CA . 26815 1 1034 . 1 1 230 230 GLY N N 15 107.228 0.1 . 1 . . . . 230 GLY N . 26815 1 1035 . 1 1 231 231 GLU H H 1 9.341 0.02 . 1 . . . . 231 GLU H . 26815 1 1036 . 1 1 231 231 GLU C C 13 179.180 0.15 . 1 . . . . 231 GLU C . 26815 1 1037 . 1 1 231 231 GLU CA C 13 58.426 0.15 . 1 . . . . 231 GLU CA . 26815 1 1038 . 1 1 231 231 GLU CB C 13 28.830 0.15 . 1 . . . . 231 GLU CB . 26815 1 1039 . 1 1 231 231 GLU N N 15 121.061 0.1 . 1 . . . . 231 GLU N . 26815 1 1040 . 1 1 233 233 PHE C C 13 180.149 0.15 . 1 . . . . 233 PHE C . 26815 1 1041 . 1 1 233 233 PHE CA C 13 55.403 0.15 . 1 . . . . 233 PHE CA . 26815 1 1042 . 1 1 233 233 PHE CB C 13 35.725 0.15 . 1 . . . . 233 PHE CB . 26815 1 1043 . 1 1 234 234 ASP H H 1 8.269 0.02 . 1 . . . . 234 ASP H . 26815 1 1044 . 1 1 234 234 ASP C C 13 179.600 0.15 . 1 . . . . 234 ASP C . 26815 1 1045 . 1 1 234 234 ASP CA C 13 57.066 0.15 . 1 . . . . 234 ASP CA . 26815 1 1046 . 1 1 234 234 ASP CB C 13 38.661 0.15 . 1 . . . . 234 ASP CB . 26815 1 1047 . 1 1 234 234 ASP N N 15 122.241 0.1 . 1 . . . . 234 ASP N . 26815 1 1048 . 1 1 235 235 ASN H H 1 8.103 0.02 . 1 . . . . 235 ASN H . 26815 1 1049 . 1 1 235 235 ASN C C 13 178.005 0.15 . 1 . . . . 235 ASN C . 26815 1 1050 . 1 1 235 235 ASN CA C 13 55.691 0.15 . 1 . . . . 235 ASN CA . 26815 1 1051 . 1 1 235 235 ASN CB C 13 37.559 0.15 . 1 . . . . 235 ASN CB . 26815 1 1052 . 1 1 235 235 ASN N N 15 118.311 0.1 . 1 . . . . 235 ASN N . 26815 1 1053 . 1 1 236 236 ARG H H 1 7.729 0.02 . 1 . . . . 236 ARG H . 26815 1 1054 . 1 1 236 236 ARG C C 13 180.792 0.15 . 1 . . . . 236 ARG C . 26815 1 1055 . 1 1 236 236 ARG CA C 13 57.463 0.15 . 1 . . . . 236 ARG CA . 26815 1 1056 . 1 1 236 236 ARG CB C 13 29.143 0.15 . 1 . . . . 236 ARG CB . 26815 1 1057 . 1 1 236 236 ARG N N 15 119.419 0.1 . 1 . . . . 236 ARG N . 26815 1 1058 . 1 1 237 237 MET H H 1 7.648 0.02 . 1 . . . . 237 MET H . 26815 1 1059 . 1 1 237 237 MET C C 13 176.869 0.15 . 1 . . . . 237 MET C . 26815 1 1060 . 1 1 237 237 MET CA C 13 59.306 0.15 . 1 . . . . 237 MET CA . 26815 1 1061 . 1 1 237 237 MET CB C 13 33.729 0.15 . 1 . . . . 237 MET CB . 26815 1 1062 . 1 1 237 237 MET N N 15 119.276 0.1 . 1 . . . . 237 MET N . 26815 1 1063 . 1 1 238 238 VAL H H 1 8.900 0.02 . 1 . . . . 238 VAL H . 26815 1 1064 . 1 1 238 238 VAL C C 13 177.789 0.15 . 1 . . . . 238 VAL C . 26815 1 1065 . 1 1 238 238 VAL CA C 13 66.745 0.15 . 1 . . . . 238 VAL CA . 26815 1 1066 . 1 1 238 238 VAL CB C 13 30.611 0.15 . 1 . . . . 238 VAL CB . 26815 1 1067 . 1 1 238 238 VAL N N 15 121.943 0.1 . 1 . . . . 238 VAL N . 26815 1 1068 . 1 1 239 239 ASN H H 1 8.129 0.02 . 1 . . . . 239 ASN H . 26815 1 1069 . 1 1 239 239 ASN C C 13 178.387 0.15 . 1 . . . . 239 ASN C . 26815 1 1070 . 1 1 239 239 ASN CA C 13 56.067 0.15 . 1 . . . . 239 ASN CA . 26815 1 1071 . 1 1 239 239 ASN CB C 13 37.047 0.15 . 1 . . . . 239 ASN CB . 26815 1 1072 . 1 1 239 239 ASN N N 15 117.381 0.1 . 1 . . . . 239 ASN N . 26815 1 1073 . 1 1 240 240 HIS H H 1 7.449 0.02 . 1 . . . . 240 HIS H . 26815 1 1074 . 1 1 240 240 HIS C C 13 177.599 0.15 . 1 . . . . 240 HIS C . 26815 1 1075 . 1 1 240 240 HIS CA C 13 59.287 0.15 . 1 . . . . 240 HIS CA . 26815 1 1076 . 1 1 240 240 HIS CB C 13 30.318 0.15 . 1 . . . . 240 HIS CB . 26815 1 1077 . 1 1 240 240 HIS N N 15 122.479 0.1 . 1 . . . . 240 HIS N . 26815 1 1078 . 1 1 241 241 PHE H H 1 8.465 0.02 . 1 . . . . 241 PHE H . 26815 1 1079 . 1 1 241 241 PHE C C 13 178.285 0.15 . 1 . . . . 241 PHE C . 26815 1 1080 . 1 1 241 241 PHE CA C 13 61.046 0.15 . 1 . . . . 241 PHE CA . 26815 1 1081 . 1 1 241 241 PHE CB C 13 38.812 0.15 . 1 . . . . 241 PHE CB . 26815 1 1082 . 1 1 241 241 PHE N N 15 119.647 0.1 . 1 . . . . 241 PHE N . 26815 1 1083 . 1 1 242 242 ILE C C 13 179.333 0.15 . 1 . . . . 242 ILE C . 26815 1 1084 . 1 1 242 242 ILE CA C 13 66.237 0.15 . 1 . . . . 242 ILE CA . 26815 1 1085 . 1 1 242 242 ILE CB C 13 37.048 0.15 . 1 . . . . 242 ILE CB . 26815 1 1086 . 1 1 243 243 ALA H H 1 7.466 0.02 . 1 . . . . 243 ALA H . 26815 1 1087 . 1 1 243 243 ALA C C 13 180.505 0.15 . 1 . . . . 243 ALA C . 26815 1 1088 . 1 1 243 243 ALA CA C 13 54.754 0.15 . 1 . . . . 243 ALA CA . 26815 1 1089 . 1 1 243 243 ALA CB C 13 16.579 0.15 . 1 . . . . 243 ALA CB . 26815 1 1090 . 1 1 243 243 ALA N N 15 123.825 0.1 . 1 . . . . 243 ALA N . 26815 1 1091 . 1 1 244 244 GLU H H 1 8.150 0.02 . 1 . . . . 244 GLU H . 26815 1 1092 . 1 1 244 244 GLU C C 13 178.142 0.15 . 1 . . . . 244 GLU C . 26815 1 1093 . 1 1 244 244 GLU CA C 13 59.265 0.15 . 1 . . . . 244 GLU CA . 26815 1 1094 . 1 1 244 244 GLU CB C 13 29.613 0.15 . 1 . . . . 244 GLU CB . 26815 1 1095 . 1 1 244 244 GLU N N 15 122.105 0.1 . 1 . . . . 244 GLU N . 26815 1 1096 . 1 1 245 245 PHE H H 1 9.051 0.02 . 1 . . . . 245 PHE H . 26815 1 1097 . 1 1 245 245 PHE C C 13 177.776 0.15 . 1 . . . . 245 PHE C . 26815 1 1098 . 1 1 245 245 PHE CA C 13 61.798 0.15 . 1 . . . . 245 PHE CA . 26815 1 1099 . 1 1 245 245 PHE CB C 13 37.483 0.15 . 1 . . . . 245 PHE CB . 26815 1 1100 . 1 1 245 245 PHE N N 15 122.447 0.1 . 1 . . . . 245 PHE N . 26815 1 1101 . 1 1 246 246 LYS H H 1 8.023 0.02 . 1 . . . . 246 LYS H . 26815 1 1102 . 1 1 246 246 LYS C C 13 179.555 0.15 . 1 . . . . 246 LYS C . 26815 1 1103 . 1 1 246 246 LYS CA C 13 59.208 0.15 . 1 . . . . 246 LYS CA . 26815 1 1104 . 1 1 246 246 LYS CB C 13 31.767 0.15 . 1 . . . . 246 LYS CB . 26815 1 1105 . 1 1 246 246 LYS N N 15 119.785 0.1 . 1 . . . . 246 LYS N . 26815 1 1106 . 1 1 247 247 ARG H H 1 8.119 0.02 . 1 . . . . 247 ARG H . 26815 1 1107 . 1 1 247 247 ARG C C 13 177.919 0.15 . 1 . . . . 247 ARG C . 26815 1 1108 . 1 1 247 247 ARG CA C 13 58.948 0.15 . 1 . . . . 247 ARG CA . 26815 1 1109 . 1 1 247 247 ARG CB C 13 29.364 0.15 . 1 . . . . 247 ARG CB . 26815 1 1110 . 1 1 247 247 ARG N N 15 121.185 0.1 . 1 . . . . 247 ARG N . 26815 1 1111 . 1 1 248 248 LYS H H 1 8.056 0.02 . 1 . . . . 248 LYS H . 26815 1 1112 . 1 1 248 248 LYS C C 13 177.894 0.15 . 1 . . . . 248 LYS C . 26815 1 1113 . 1 1 248 248 LYS CA C 13 58.305 0.15 . 1 . . . . 248 LYS CA . 26815 1 1114 . 1 1 248 248 LYS CB C 13 32.760 0.15 . 1 . . . . 248 LYS CB . 26815 1 1115 . 1 1 248 248 LYS N N 15 116.981 0.1 . 1 . . . . 248 LYS N . 26815 1 1116 . 1 1 249 249 HIS H H 1 8.229 0.02 . 1 . . . . 249 HIS H . 26815 1 1117 . 1 1 249 249 HIS C C 13 175.193 0.15 . 1 . . . . 249 HIS C . 26815 1 1118 . 1 1 249 249 HIS CA C 13 55.412 0.15 . 1 . . . . 249 HIS CA . 26815 1 1119 . 1 1 249 249 HIS CB C 13 30.583 0.15 . 1 . . . . 249 HIS CB . 26815 1 1120 . 1 1 249 249 HIS N N 15 114.403 0.1 . 1 . . . . 249 HIS N . 26815 1 1121 . 1 1 250 250 LYS H H 1 7.956 0.02 . 1 . . . . 250 LYS H . 26815 1 1122 . 1 1 250 250 LYS C C 13 175.324 0.15 . 1 . . . . 250 LYS C . 26815 1 1123 . 1 1 250 250 LYS CA C 13 56.878 0.15 . 1 . . . . 250 LYS CA . 26815 1 1124 . 1 1 250 250 LYS CB C 13 27.458 0.15 . 1 . . . . 250 LYS CB . 26815 1 1125 . 1 1 250 250 LYS N N 15 115.365 0.1 . 1 . . . . 250 LYS N . 26815 1 1126 . 1 1 251 251 LYS H H 1 6.647 0.02 . 1 . . . . 251 LYS H . 26815 1 1127 . 1 1 251 251 LYS C C 13 174.170 0.15 . 1 . . . . 251 LYS C . 26815 1 1128 . 1 1 251 251 LYS CA C 13 53.588 0.15 . 1 . . . . 251 LYS CA . 26815 1 1129 . 1 1 251 251 LYS CB C 13 35.888 0.15 . 1 . . . . 251 LYS CB . 26815 1 1130 . 1 1 251 251 LYS N N 15 115.173 0.1 . 1 . . . . 251 LYS N . 26815 1 1131 . 1 1 252 252 ASP H H 1 8.698 0.02 . 1 . . . . 252 ASP H . 26815 1 1132 . 1 1 252 252 ASP C C 13 176.687 0.15 . 1 . . . . 252 ASP C . 26815 1 1133 . 1 1 252 252 ASP CA C 13 51.420 0.15 . 1 . . . . 252 ASP CA . 26815 1 1134 . 1 1 252 252 ASP CB C 13 40.967 0.15 . 1 . . . . 252 ASP CB . 26815 1 1135 . 1 1 252 252 ASP N N 15 122.679 0.1 . 1 . . . . 252 ASP N . 26815 1 1136 . 1 1 253 253 ILE H H 1 8.138 0.02 . 1 . . . . 253 ILE H . 26815 1 1137 . 1 1 253 253 ILE C C 13 176.465 0.15 . 1 . . . . 253 ILE C . 26815 1 1138 . 1 1 253 253 ILE CA C 13 61.253 0.15 . 1 . . . . 253 ILE CA . 26815 1 1139 . 1 1 253 253 ILE CB C 13 36.838 0.15 . 1 . . . . 253 ILE CB . 26815 1 1140 . 1 1 253 253 ILE N N 15 120.028 0.1 . 1 . . . . 253 ILE N . 26815 1 1141 . 1 1 254 254 SER H H 1 8.114 0.02 . 1 . . . . 254 SER H . 26815 1 1142 . 1 1 254 254 SER C C 13 174.714 0.15 . 1 . . . . 254 SER C . 26815 1 1143 . 1 1 254 254 SER CA C 13 61.789 0.15 . 1 . . . . 254 SER CA . 26815 1 1144 . 1 1 254 254 SER CB C 13 62.434 0.15 . 1 . . . . 254 SER CB . 26815 1 1145 . 1 1 254 254 SER N N 15 115.173 0.1 . 1 . . . . 254 SER N . 26815 1 1146 . 1 1 255 255 GLU H H 1 8.005 0.02 . 1 . . . . 255 GLU H . 26815 1 1147 . 1 1 255 255 GLU C C 13 175.553 0.15 . 1 . . . . 255 GLU C . 26815 1 1148 . 1 1 255 255 GLU CA C 13 55.709 0.15 . 1 . . . . 255 GLU CA . 26815 1 1149 . 1 1 255 255 GLU CB C 13 28.438 0.15 . 1 . . . . 255 GLU CB . 26815 1 1150 . 1 1 255 255 GLU N N 15 118.303 0.1 . 1 . . . . 255 GLU N . 26815 1 1151 . 1 1 256 256 ASN H H 1 8.182 0.02 . 1 . . . . 256 ASN H . 26815 1 1152 . 1 1 256 256 ASN C C 13 173.302 0.15 . 1 . . . . 256 ASN C . 26815 1 1153 . 1 1 256 256 ASN CA C 13 52.223 0.15 . 1 . . . . 256 ASN CA . 26815 1 1154 . 1 1 256 256 ASN CB C 13 38.238 0.15 . 1 . . . . 256 ASN CB . 26815 1 1155 . 1 1 256 256 ASN N N 15 122.177 0.1 . 1 . . . . 256 ASN N . 26815 1 1156 . 1 1 257 257 LYS H H 1 8.506 0.02 . 1 . . . . 257 LYS H . 26815 1 1157 . 1 1 257 257 LYS C C 13 179.158 0.15 . 1 . . . . 257 LYS C . 26815 1 1158 . 1 1 257 257 LYS CA C 13 59.086 0.15 . 1 . . . . 257 LYS CA . 26815 1 1159 . 1 1 257 257 LYS CB C 13 30.946 0.15 . 1 . . . . 257 LYS CB . 26815 1 1160 . 1 1 257 257 LYS N N 15 125.056 0.1 . 1 . . . . 257 LYS N . 26815 1 1161 . 1 1 258 258 ARG H H 1 8.354 0.02 . 1 . . . . 258 ARG H . 26815 1 1162 . 1 1 258 258 ARG C C 13 177.684 0.15 . 1 . . . . 258 ARG C . 26815 1 1163 . 1 1 258 258 ARG CA C 13 59.492 0.15 . 1 . . . . 258 ARG CA . 26815 1 1164 . 1 1 258 258 ARG CB C 13 28.660 0.15 . 1 . . . . 258 ARG CB . 26815 1 1165 . 1 1 258 258 ARG N N 15 121.070 0.1 . 1 . . . . 258 ARG N . 26815 1 1166 . 1 1 259 259 ALA H H 1 8.248 0.02 . 1 . . . . 259 ALA H . 26815 1 1167 . 1 1 259 259 ALA C C 13 179.706 0.15 . 1 . . . . 259 ALA C . 26815 1 1168 . 1 1 259 259 ALA CA C 13 54.726 0.15 . 1 . . . . 259 ALA CA . 26815 1 1169 . 1 1 259 259 ALA CB C 13 17.266 0.15 . 1 . . . . 259 ALA CB . 26815 1 1170 . 1 1 259 259 ALA N N 15 123.220 0.1 . 1 . . . . 259 ALA N . 26815 1 1171 . 1 1 260 260 VAL H H 1 8.077 0.02 . 1 . . . . 260 VAL H . 26815 1 1172 . 1 1 260 260 VAL C C 13 177.885 0.15 . 1 . . . . 260 VAL C . 26815 1 1173 . 1 1 260 260 VAL CA C 13 67.016 0.15 . 1 . . . . 260 VAL CA . 26815 1 1174 . 1 1 260 260 VAL CB C 13 30.633 0.15 . 1 . . . . 260 VAL CB . 26815 1 1175 . 1 1 260 260 VAL N N 15 117.013 0.1 . 1 . . . . 260 VAL N . 26815 1 1176 . 1 1 261 261 ARG H H 1 8.092 0.02 . 1 . . . . 261 ARG H . 26815 1 1177 . 1 1 261 261 ARG C C 13 179.296 0.15 . 1 . . . . 261 ARG C . 26815 1 1178 . 1 1 261 261 ARG CA C 13 58.571 0.15 . 1 . . . . 261 ARG CA . 26815 1 1179 . 1 1 261 261 ARG CB C 13 28.584 0.15 . 1 . . . . 261 ARG CB . 26815 1 1180 . 1 1 261 261 ARG N N 15 119.741 0.1 . 1 . . . . 261 ARG N . 26815 1 1181 . 1 1 262 262 ARG H H 1 8.078 0.02 . 1 . . . . 262 ARG H . 26815 1 1182 . 1 1 262 262 ARG C C 13 180.179 0.15 . 1 . . . . 262 ARG C . 26815 1 1183 . 1 1 262 262 ARG CA C 13 59.458 0.15 . 1 . . . . 262 ARG CA . 26815 1 1184 . 1 1 262 262 ARG CB C 13 29.306 0.15 . 1 . . . . 262 ARG CB . 26815 1 1185 . 1 1 263 263 LEU H H 1 8.452 0.02 . 1 . . . . 263 LEU H . 26815 1 1186 . 1 1 263 263 LEU C C 13 178.268 0.15 . 1 . . . . 263 LEU C . 26815 1 1187 . 1 1 263 263 LEU CA C 13 57.143 0.15 . 1 . . . . 263 LEU CA . 26815 1 1188 . 1 1 263 263 LEU CB C 13 41.206 0.15 . 1 . . . . 263 LEU CB . 26815 1 1189 . 1 1 263 263 LEU N N 15 122.795 0.1 . 1 . . . . 263 LEU N . 26815 1 1190 . 1 1 264 264 ARG H H 1 9.148 0.02 . 1 . . . . 264 ARG H . 26815 1 1191 . 1 1 264 264 ARG C C 13 178.002 0.15 . 1 . . . . 264 ARG C . 26815 1 1192 . 1 1 264 264 ARG CA C 13 60.440 0.15 . 1 . . . . 264 ARG CA . 26815 1 1193 . 1 1 264 264 ARG CB C 13 29.120 0.15 . 1 . . . . 264 ARG CB . 26815 1 1194 . 1 1 264 264 ARG N N 15 123.992 0.1 . 1 . . . . 264 ARG N . 26815 1 1195 . 1 1 265 265 THR H H 1 8.300 0.02 . 1 . . . . 265 THR H . 26815 1 1196 . 1 1 265 265 THR C C 13 176.844 0.15 . 1 . . . . 265 THR C . 26815 1 1197 . 1 1 265 265 THR CA C 13 66.048 0.15 . 1 . . . . 265 THR CA . 26815 1 1198 . 1 1 265 265 THR CB C 13 68.280 0.15 . 1 . . . . 265 THR CB . 26815 1 1199 . 1 1 265 265 THR N N 15 116.926 0.1 . 1 . . . . 265 THR N . 26815 1 1200 . 1 1 266 266 ALA H H 1 7.559 0.02 . 1 . . . . 266 ALA H . 26815 1 1201 . 1 1 266 266 ALA C C 13 180.992 0.15 . 1 . . . . 266 ALA C . 26815 1 1202 . 1 1 266 266 ALA CA C 13 54.408 0.15 . 1 . . . . 266 ALA CA . 26815 1 1203 . 1 1 266 266 ALA CB C 13 17.780 0.15 . 1 . . . . 266 ALA CB . 26815 1 1204 . 1 1 266 266 ALA N N 15 123.932 0.1 . 1 . . . . 266 ALA N . 26815 1 1205 . 1 1 267 267 CYS H H 1 8.798 0.02 . 1 . . . . 267 CYS H . 26815 1 1206 . 1 1 267 267 CYS CB C 13 45.791 0.15 . 1 . . . . 267 CYS CB . 26815 1 1207 . 1 1 267 267 CYS N N 15 119.114 0.1 . 1 . . . . 267 CYS N . 26815 1 1208 . 1 1 268 268 GLU H H 1 8.338 0.02 . 1 . . . . 268 GLU H . 26815 1 1209 . 1 1 268 268 GLU C C 13 178.166 0.15 . 1 . . . . 268 GLU C . 26815 1 1210 . 1 1 268 268 GLU CA C 13 60.079 0.15 . 1 . . . . 268 GLU CA . 26815 1 1211 . 1 1 268 268 GLU CB C 13 27.347 0.15 . 1 . . . . 268 GLU CB . 26815 1 1212 . 1 1 268 268 GLU N N 15 123.428 0.1 . 1 . . . . 268 GLU N . 26815 1 1213 . 1 1 269 269 ARG H H 1 7.138 0.02 . 1 . . . . 269 ARG H . 26815 1 1214 . 1 1 269 269 ARG C C 13 178.991 0.15 . 1 . . . . 269 ARG C . 26815 1 1215 . 1 1 269 269 ARG CA C 13 58.801 0.15 . 1 . . . . 269 ARG CA . 26815 1 1216 . 1 1 269 269 ARG CB C 13 28.890 0.15 . 1 . . . . 269 ARG CB . 26815 1 1217 . 1 1 269 269 ARG N N 15 117.000 0.1 . 1 . . . . 269 ARG N . 26815 1 1218 . 1 1 270 270 ALA H H 1 7.930 0.02 . 1 . . . . 270 ALA H . 26815 1 1219 . 1 1 270 270 ALA C C 13 178.593 0.15 . 1 . . . . 270 ALA C . 26815 1 1220 . 1 1 270 270 ALA CA C 13 54.209 0.15 . 1 . . . . 270 ALA CA . 26815 1 1221 . 1 1 270 270 ALA CB C 13 17.153 0.15 . 1 . . . . 270 ALA CB . 26815 1 1222 . 1 1 270 270 ALA N N 15 123.500 0.1 . 1 . . . . 270 ALA N . 26815 1 1223 . 1 1 271 271 LYS H H 1 8.505 0.02 . 1 . . . . 271 LYS H . 26815 1 1224 . 1 1 271 271 LYS C C 13 178.510 0.15 . 1 . . . . 271 LYS C . 26815 1 1225 . 1 1 271 271 LYS CA C 13 58.885 0.15 . 1 . . . . 271 LYS CA . 26815 1 1226 . 1 1 271 271 LYS CB C 13 29.095 0.15 . 1 . . . . 271 LYS CB . 26815 1 1227 . 1 1 271 271 LYS N N 15 118.554 0.1 . 1 . . . . 271 LYS N . 26815 1 1228 . 1 1 272 272 ARG H H 1 7.166 0.02 . 1 . . . . 272 ARG H . 26815 1 1229 . 1 1 272 272 ARG C C 13 180.765 0.15 . 1 . . . . 272 ARG C . 26815 1 1230 . 1 1 272 272 ARG CA C 13 59.359 0.15 . 1 . . . . 272 ARG CA . 26815 1 1231 . 1 1 272 272 ARG CB C 13 28.308 0.15 . 1 . . . . 272 ARG CB . 26815 1 1232 . 1 1 272 272 ARG N N 15 116.429 0.1 . 1 . . . . 272 ARG N . 26815 1 1233 . 1 1 273 273 THR H H 1 7.767 0.02 . 1 . . . . 273 THR H . 26815 1 1234 . 1 1 273 273 THR C C 13 176.107 0.15 . 1 . . . . 273 THR C . 26815 1 1235 . 1 1 273 273 THR CA C 13 66.295 0.15 . 1 . . . . 273 THR CA . 26815 1 1236 . 1 1 273 273 THR CB C 13 67.933 0.15 . 1 . . . . 273 THR CB . 26815 1 1237 . 1 1 273 273 THR N N 15 120.839 0.1 . 1 . . . . 273 THR N . 26815 1 1238 . 1 1 274 274 LEU H H 1 7.879 0.02 . 1 . . . . 274 LEU H . 26815 1 1239 . 1 1 274 274 LEU C C 13 178.892 0.15 . 1 . . . . 274 LEU C . 26815 1 1240 . 1 1 274 274 LEU CA C 13 55.379 0.15 . 1 . . . . 274 LEU CA . 26815 1 1241 . 1 1 274 274 LEU CB C 13 40.756 0.15 . 1 . . . . 274 LEU CB . 26815 1 1242 . 1 1 274 274 LEU N N 15 120.952 0.1 . 1 . . . . 274 LEU N . 26815 1 1243 . 1 1 278 278 THR C C 13 174.409 0.15 . 1 . . . . 278 THR C . 26815 1 1244 . 1 1 278 278 THR CA C 13 62.628 0.15 . 1 . . . . 278 THR CA . 26815 1 1245 . 1 1 278 278 THR CB C 13 68.413 0.15 . 1 . . . . 278 THR CB . 26815 1 1246 . 1 1 279 279 GLN H H 1 7.627 0.02 . 1 . . . . 279 GLN H . 26815 1 1247 . 1 1 279 279 GLN C C 13 172.470 0.15 . 1 . . . . 279 GLN C . 26815 1 1248 . 1 1 279 279 GLN CA C 13 55.087 0.15 . 1 . . . . 279 GLN CA . 26815 1 1249 . 1 1 279 279 GLN CB C 13 30.574 0.15 . 1 . . . . 279 GLN CB . 26815 1 1250 . 1 1 279 279 GLN N N 15 119.804 0.1 . 1 . . . . 279 GLN N . 26815 1 1251 . 1 1 280 280 ALA H H 1 8.632 0.02 . 1 . . . . 280 ALA H . 26815 1 1252 . 1 1 280 280 ALA C C 13 175.297 0.15 . 1 . . . . 280 ALA C . 26815 1 1253 . 1 1 280 280 ALA CA C 13 50.693 0.15 . 1 . . . . 280 ALA CA . 26815 1 1254 . 1 1 280 280 ALA CB C 13 22.319 0.15 . 1 . . . . 280 ALA CB . 26815 1 1255 . 1 1 280 280 ALA N N 15 123.234 0.1 . 1 . . . . 280 ALA N . 26815 1 1256 . 1 1 281 281 SER H H 1 8.675 0.02 . 1 . . . . 281 SER H . 26815 1 1257 . 1 1 281 281 SER C C 13 172.994 0.15 . 1 . . . . 281 SER C . 26815 1 1258 . 1 1 281 281 SER CA C 13 57.144 0.15 . 1 . . . . 281 SER CA . 26815 1 1259 . 1 1 281 281 SER CB C 13 63.939 0.15 . 1 . . . . 281 SER CB . 26815 1 1260 . 1 1 281 281 SER N N 15 116.627 0.1 . 1 . . . . 281 SER N . 26815 1 1261 . 1 1 282 282 ILE H H 1 8.219 0.02 . 1 . . . . 282 ILE H . 26815 1 1262 . 1 1 282 282 ILE C C 13 173.692 0.15 . 1 . . . . 282 ILE C . 26815 1 1263 . 1 1 282 282 ILE CA C 13 59.443 0.15 . 1 . . . . 282 ILE CA . 26815 1 1264 . 1 1 282 282 ILE CB C 13 38.454 0.15 . 1 . . . . 282 ILE CB . 26815 1 1265 . 1 1 282 282 ILE N N 15 125.583 0.1 . 1 . . . . 282 ILE N . 26815 1 1266 . 1 1 283 283 GLU H H 1 8.438 0.02 . 1 . . . . 283 GLU H . 26815 1 1267 . 1 1 283 283 GLU C C 13 174.510 0.15 . 1 . . . . 283 GLU C . 26815 1 1268 . 1 1 283 283 GLU CA C 13 54.036 0.15 . 1 . . . . 283 GLU CA . 26815 1 1269 . 1 1 283 283 GLU CB C 13 30.230 0.15 . 1 . . . . 283 GLU CB . 26815 1 1270 . 1 1 283 283 GLU N N 15 126.789 0.1 . 1 . . . . 283 GLU N . 26815 1 1271 . 1 1 284 284 ILE H H 1 8.364 0.02 . 1 . . . . 284 ILE H . 26815 1 1272 . 1 1 284 284 ILE C C 13 174.352 0.15 . 1 . . . . 284 ILE C . 26815 1 1273 . 1 1 284 284 ILE CA C 13 59.939 0.15 . 1 . . . . 284 ILE CA . 26815 1 1274 . 1 1 284 284 ILE CB C 13 40.019 0.15 . 1 . . . . 284 ILE CB . 26815 1 1275 . 1 1 284 284 ILE N N 15 124.636 0.1 . 1 . . . . 284 ILE N . 26815 1 1276 . 1 1 285 285 ASP H H 1 8.797 0.02 . 1 . . . . 285 ASP H . 26815 1 1277 . 1 1 285 285 ASP C C 13 176.629 0.15 . 1 . . . . 285 ASP C . 26815 1 1278 . 1 1 285 285 ASP CA C 13 53.523 0.15 . 1 . . . . 285 ASP CA . 26815 1 1279 . 1 1 285 285 ASP CB C 13 39.942 0.15 . 1 . . . . 285 ASP CB . 26815 1 1280 . 1 1 285 285 ASP N N 15 129.052 0.1 . 1 . . . . 285 ASP N . 26815 1 1281 . 1 1 286 286 SER H H 1 10.546 0.02 . 1 . . . . 286 SER H . 26815 1 1282 . 1 1 286 286 SER C C 13 175.178 0.15 . 1 . . . . 286 SER C . 26815 1 1283 . 1 1 286 286 SER CA C 13 57.459 0.15 . 1 . . . . 286 SER CA . 26815 1 1284 . 1 1 286 286 SER CB C 13 60.936 0.15 . 1 . . . . 286 SER CB . 26815 1 1285 . 1 1 286 286 SER N N 15 120.723 0.1 . 1 . . . . 286 SER N . 26815 1 1286 . 1 1 287 287 LEU H H 1 8.194 0.02 . 1 . . . . 287 LEU H . 26815 1 1287 . 1 1 287 287 LEU C C 13 176.098 0.15 . 1 . . . . 287 LEU C . 26815 1 1288 . 1 1 287 287 LEU CA C 13 57.126 0.15 . 1 . . . . 287 LEU CA . 26815 1 1289 . 1 1 287 287 LEU CB C 13 40.354 0.15 . 1 . . . . 287 LEU CB . 26815 1 1290 . 1 1 287 287 LEU N N 15 123.579 0.1 . 1 . . . . 287 LEU N . 26815 1 1291 . 1 1 288 288 TYR H H 1 6.839 0.02 . 1 . . . . 288 TYR H . 26815 1 1292 . 1 1 288 288 TYR C C 13 173.886 0.15 . 1 . . . . 288 TYR C . 26815 1 1293 . 1 1 288 288 TYR CA C 13 56.944 0.15 . 1 . . . . 288 TYR CA . 26815 1 1294 . 1 1 288 288 TYR CB C 13 41.289 0.15 . 1 . . . . 288 TYR CB . 26815 1 1295 . 1 1 288 288 TYR N N 15 113.740 0.1 . 1 . . . . 288 TYR N . 26815 1 1296 . 1 1 289 289 GLU H H 1 8.798 0.02 . 1 . . . . 289 GLU H . 26815 1 1297 . 1 1 289 289 GLU C C 13 175.710 0.15 . 1 . . . . 289 GLU C . 26815 1 1298 . 1 1 289 289 GLU CA C 13 56.707 0.15 . 1 . . . . 289 GLU CA . 26815 1 1299 . 1 1 289 289 GLU CB C 13 26.501 0.15 . 1 . . . . 289 GLU CB . 26815 1 1300 . 1 1 289 289 GLU N N 15 126.805 0.1 . 1 . . . . 289 GLU N . 26815 1 1301 . 1 1 290 290 GLY H H 1 8.417 0.02 . 1 . . . . 290 GLY H . 26815 1 1302 . 1 1 290 290 GLY C C 13 174.242 0.15 . 1 . . . . 290 GLY C . 26815 1 1303 . 1 1 290 290 GLY CA C 13 44.959 0.15 . 1 . . . . 290 GLY CA . 26815 1 1304 . 1 1 290 290 GLY N N 15 104.620 0.1 . 1 . . . . 290 GLY N . 26815 1 1305 . 1 1 291 291 ILE H H 1 8.170 0.02 . 1 . . . . 291 ILE H . 26815 1 1306 . 1 1 291 291 ILE C C 13 176.362 0.15 . 1 . . . . 291 ILE C . 26815 1 1307 . 1 1 291 291 ILE CA C 13 61.219 0.15 . 1 . . . . 291 ILE CA . 26815 1 1308 . 1 1 291 291 ILE CB C 13 37.672 0.15 . 1 . . . . 291 ILE CB . 26815 1 1309 . 1 1 291 291 ILE N N 15 124.119 0.1 . 1 . . . . 291 ILE N . 26815 1 1310 . 1 1 292 292 ASP H H 1 8.582 0.02 . 1 . . . . 292 ASP H . 26815 1 1311 . 1 1 292 292 ASP C C 13 174.887 0.15 . 1 . . . . 292 ASP C . 26815 1 1312 . 1 1 292 292 ASP CA C 13 53.724 0.15 . 1 . . . . 292 ASP CA . 26815 1 1313 . 1 1 292 292 ASP CB C 13 41.115 0.15 . 1 . . . . 292 ASP CB . 26815 1 1314 . 1 1 292 292 ASP N N 15 129.319 0.1 . 1 . . . . 292 ASP N . 26815 1 1315 . 1 1 293 293 PHE H H 1 9.364 0.02 . 1 . . . . 293 PHE H . 26815 1 1316 . 1 1 293 293 PHE C C 13 171.507 0.15 . 1 . . . . 293 PHE C . 26815 1 1317 . 1 1 293 293 PHE CA C 13 54.831 0.15 . 1 . . . . 293 PHE CA . 26815 1 1318 . 1 1 293 293 PHE CB C 13 41.625 0.15 . 1 . . . . 293 PHE CB . 26815 1 1319 . 1 1 293 293 PHE N N 15 123.104 0.1 . 1 . . . . 293 PHE N . 26815 1 1320 . 1 1 294 294 TYR H H 1 8.467 0.02 . 1 . . . . 294 TYR H . 26815 1 1321 . 1 1 294 294 TYR C C 13 174.828 0.15 . 1 . . . . 294 TYR C . 26815 1 1322 . 1 1 294 294 TYR CA C 13 54.997 0.15 . 1 . . . . 294 TYR CA . 26815 1 1323 . 1 1 294 294 TYR CB C 13 37.703 0.15 . 1 . . . . 294 TYR CB . 26815 1 1324 . 1 1 294 294 TYR N N 15 129.922 0.1 . 1 . . . . 294 TYR N . 26815 1 1325 . 1 1 295 295 THR H H 1 8.809 0.02 . 1 . . . . 295 THR H . 26815 1 1326 . 1 1 295 295 THR C C 13 172.501 0.15 . 1 . . . . 295 THR C . 26815 1 1327 . 1 1 295 295 THR CA C 13 58.822 0.15 . 1 . . . . 295 THR CA . 26815 1 1328 . 1 1 295 295 THR CB C 13 67.646 0.15 . 1 . . . . 295 THR CB . 26815 1 1329 . 1 1 295 295 THR N N 15 119.589 0.1 . 1 . . . . 295 THR N . 26815 1 1330 . 1 1 296 296 SER H H 1 8.850 0.02 . 1 . . . . 296 SER H . 26815 1 1331 . 1 1 296 296 SER C C 13 171.725 0.15 . 1 . . . . 296 SER C . 26815 1 1332 . 1 1 296 296 SER CA C 13 56.647 0.15 . 1 . . . . 296 SER CA . 26815 1 1333 . 1 1 296 296 SER CB C 13 65.251 0.15 . 1 . . . . 296 SER CB . 26815 1 1334 . 1 1 296 296 SER N N 15 117.296 0.1 . 1 . . . . 296 SER N . 26815 1 1335 . 1 1 297 297 ILE H H 1 8.935 0.02 . 1 . . . . 297 ILE H . 26815 1 1336 . 1 1 297 297 ILE C C 13 172.660 0.15 . 1 . . . . 297 ILE C . 26815 1 1337 . 1 1 297 297 ILE CA C 13 58.582 0.15 . 1 . . . . 297 ILE CA . 26815 1 1338 . 1 1 297 297 ILE CB C 13 40.763 0.15 . 1 . . . . 297 ILE CB . 26815 1 1339 . 1 1 297 297 ILE N N 15 118.979 0.1 . 1 . . . . 297 ILE N . 26815 1 1340 . 1 1 298 298 THR H H 1 7.868 0.02 . 1 . . . . 298 THR H . 26815 1 1341 . 1 1 298 298 THR C C 13 175.299 0.15 . 1 . . . . 298 THR C . 26815 1 1342 . 1 1 298 298 THR CA C 13 59.256 0.15 . 1 . . . . 298 THR CA . 26815 1 1343 . 1 1 298 298 THR CB C 13 70.822 0.15 . 1 . . . . 298 THR CB . 26815 1 1344 . 1 1 298 298 THR N N 15 116.169 0.1 . 1 . . . . 298 THR N . 26815 1 1345 . 1 1 299 299 ARG H H 1 8.734 0.02 . 1 . . . . 299 ARG H . 26815 1 1346 . 1 1 299 299 ARG C C 13 177.624 0.15 . 1 . . . . 299 ARG C . 26815 1 1347 . 1 1 299 299 ARG CA C 13 59.703 0.15 . 1 . . . . 299 ARG CA . 26815 1 1348 . 1 1 299 299 ARG CB C 13 29.291 0.15 . 1 . . . . 299 ARG CB . 26815 1 1349 . 1 1 299 299 ARG N N 15 123.752 0.1 . 1 . . . . 299 ARG N . 26815 1 1350 . 1 1 300 300 ALA H H 1 8.672 0.02 . 1 . . . . 300 ALA H . 26815 1 1351 . 1 1 300 300 ALA C C 13 180.113 0.15 . 1 . . . . 300 ALA C . 26815 1 1352 . 1 1 300 300 ALA CA C 13 54.776 0.15 . 1 . . . . 300 ALA CA . 26815 1 1353 . 1 1 300 300 ALA CB C 13 17.176 0.15 . 1 . . . . 300 ALA CB . 26815 1 1354 . 1 1 300 300 ALA N N 15 120.987 0.1 . 1 . . . . 300 ALA N . 26815 1 1355 . 1 1 301 301 ARG H H 1 8.058 0.02 . 1 . . . . 301 ARG H . 26815 1 1356 . 1 1 301 301 ARG C C 13 178.150 0.15 . 1 . . . . 301 ARG C . 26815 1 1357 . 1 1 301 301 ARG CA C 13 56.943 0.15 . 1 . . . . 301 ARG CA . 26815 1 1358 . 1 1 301 301 ARG CB C 13 28.057 0.15 . 1 . . . . 301 ARG CB . 26815 1 1359 . 1 1 301 301 ARG N N 15 120.157 0.1 . 1 . . . . 301 ARG N . 26815 1 1360 . 1 1 302 302 PHE H H 1 8.270 0.02 . 1 . . . . 302 PHE H . 26815 1 1361 . 1 1 302 302 PHE C C 13 176.917 0.15 . 1 . . . . 302 PHE C . 26815 1 1362 . 1 1 302 302 PHE CA C 13 61.352 0.15 . 1 . . . . 302 PHE CA . 26815 1 1363 . 1 1 302 302 PHE CB C 13 39.364 0.15 . 1 . . . . 302 PHE CB . 26815 1 1364 . 1 1 302 302 PHE N N 15 121.077 0.1 . 1 . . . . 302 PHE N . 26815 1 1365 . 1 1 303 303 GLU H H 1 8.792 0.02 . 1 . . . . 303 GLU H . 26815 1 1366 . 1 1 303 303 GLU C C 13 179.441 0.15 . 1 . . . . 303 GLU C . 26815 1 1367 . 1 1 303 303 GLU CA C 13 59.015 0.15 . 1 . . . . 303 GLU CA . 26815 1 1368 . 1 1 303 303 GLU CB C 13 27.958 0.15 . 1 . . . . 303 GLU CB . 26815 1 1369 . 1 1 303 303 GLU N N 15 119.821 0.1 . 1 . . . . 303 GLU N . 26815 1 1370 . 1 1 304 304 GLU H H 1 8.007 0.02 . 1 . . . . 304 GLU H . 26815 1 1371 . 1 1 304 304 GLU C C 13 180.083 0.15 . 1 . . . . 304 GLU C . 26815 1 1372 . 1 1 304 304 GLU CA C 13 58.881 0.15 . 1 . . . . 304 GLU CA . 26815 1 1373 . 1 1 304 304 GLU CB C 13 28.849 0.15 . 1 . . . . 304 GLU CB . 26815 1 1374 . 1 1 304 304 GLU N N 15 121.729 0.1 . 1 . . . . 304 GLU N . 26815 1 1375 . 1 1 305 305 LEU H H 1 8.349 0.02 . 1 . . . . 305 LEU H . 26815 1 1376 . 1 1 305 305 LEU C C 13 177.605 0.15 . 1 . . . . 305 LEU C . 26815 1 1377 . 1 1 305 305 LEU CA C 13 56.267 0.15 . 1 . . . . 305 LEU CA . 26815 1 1378 . 1 1 305 305 LEU CB C 13 42.314 0.15 . 1 . . . . 305 LEU CB . 26815 1 1379 . 1 1 305 305 LEU N N 15 118.569 0.1 . 1 . . . . 305 LEU N . 26815 1 1380 . 1 1 306 306 ASN H H 1 6.439 0.02 . 1 . . . . 306 ASN H . 26815 1 1381 . 1 1 306 306 ASN C C 13 175.197 0.15 . 1 . . . . 306 ASN C . 26815 1 1382 . 1 1 306 306 ASN CA C 13 52.838 0.15 . 1 . . . . 306 ASN CA . 26815 1 1383 . 1 1 306 306 ASN CB C 13 40.151 0.15 . 1 . . . . 306 ASN CB . 26815 1 1384 . 1 1 306 306 ASN N N 15 113.450 0.1 . 1 . . . . 306 ASN N . 26815 1 1385 . 1 1 307 307 ALA H H 1 7.063 0.02 . 1 . . . . 307 ALA H . 26815 1 1386 . 1 1 307 307 ALA C C 13 179.202 0.15 . 1 . . . . 307 ALA C . 26815 1 1387 . 1 1 307 307 ALA CA C 13 56.576 0.15 . 1 . . . . 307 ALA CA . 26815 1 1388 . 1 1 307 307 ALA CB C 13 18.350 0.15 . 1 . . . . 307 ALA CB . 26815 1 1389 . 1 1 307 307 ALA N N 15 124.581 0.1 . 1 . . . . 307 ALA N . 26815 1 1390 . 1 1 308 308 ASP H H 1 9.198 0.02 . 1 . . . . 308 ASP H . 26815 1 1391 . 1 1 308 308 ASP C C 13 178.653 0.15 . 1 . . . . 308 ASP C . 26815 1 1392 . 1 1 308 308 ASP CA C 13 55.402 0.15 . 1 . . . . 308 ASP CA . 26815 1 1393 . 1 1 308 308 ASP CB C 13 37.728 0.15 . 1 . . . . 308 ASP CB . 26815 1 1394 . 1 1 308 308 ASP N N 15 114.478 0.1 . 1 . . . . 308 ASP N . 26815 1 1395 . 1 1 309 309 LEU H H 1 6.924 0.02 . 1 . . . . 309 LEU H . 26815 1 1396 . 1 1 309 309 LEU C C 13 179.455 0.15 . 1 . . . . 309 LEU C . 26815 1 1397 . 1 1 309 309 LEU CA C 13 55.995 0.15 . 1 . . . . 309 LEU CA . 26815 1 1398 . 1 1 309 309 LEU CB C 13 41.114 0.15 . 1 . . . . 309 LEU CB . 26815 1 1399 . 1 1 309 309 LEU N N 15 121.813 0.1 . 1 . . . . 309 LEU N . 26815 1 1400 . 1 1 310 310 PHE H H 1 8.164 0.02 . 1 . . . . 310 PHE H . 26815 1 1401 . 1 1 310 310 PHE C C 13 178.591 0.15 . 1 . . . . 310 PHE C . 26815 1 1402 . 1 1 310 310 PHE CA C 13 56.027 0.15 . 1 . . . . 310 PHE CA . 26815 1 1403 . 1 1 310 310 PHE CB C 13 35.298 0.15 . 1 . . . . 310 PHE CB . 26815 1 1404 . 1 1 310 310 PHE N N 15 115.777 0.1 . 1 . . . . 310 PHE N . 26815 1 1405 . 1 1 311 311 ARG H H 1 8.076 0.02 . 1 . . . . 311 ARG H . 26815 1 1406 . 1 1 311 311 ARG C C 13 178.938 0.15 . 1 . . . . 311 ARG C . 26815 1 1407 . 1 1 311 311 ARG CA C 13 58.903 0.15 . 1 . . . . 311 ARG CA . 26815 1 1408 . 1 1 311 311 ARG CB C 13 28.371 0.15 . 1 . . . . 311 ARG CB . 26815 1 1409 . 1 1 311 311 ARG N N 15 119.872 0.1 . 1 . . . . 311 ARG N . 26815 1 1410 . 1 1 312 312 GLY H H 1 7.819 0.02 . 1 . . . . 312 GLY H . 26815 1 1411 . 1 1 312 312 GLY C C 13 176.688 0.15 . 1 . . . . 312 GLY C . 26815 1 1412 . 1 1 312 312 GLY CA C 13 45.868 0.15 . 1 . . . . 312 GLY CA . 26815 1 1413 . 1 1 312 312 GLY N N 15 106.974 0.1 . 1 . . . . 312 GLY N . 26815 1 1414 . 1 1 313 313 THR H H 1 7.425 0.02 . 1 . . . . 313 THR H . 26815 1 1415 . 1 1 313 313 THR C C 13 175.490 0.15 . 1 . . . . 313 THR C . 26815 1 1416 . 1 1 313 313 THR CA C 13 63.806 0.15 . 1 . . . . 313 THR CA . 26815 1 1417 . 1 1 313 313 THR CB C 13 68.568 0.15 . 1 . . . . 313 THR CB . 26815 1 1418 . 1 1 313 313 THR N N 15 112.644 0.1 . 1 . . . . 313 THR N . 26815 1 1419 . 1 1 314 314 LEU H H 1 7.169 0.02 . 1 . . . . 314 LEU H . 26815 1 1420 . 1 1 314 314 LEU C C 13 179.223 0.15 . 1 . . . . 314 LEU C . 26815 1 1421 . 1 1 314 314 LEU CA C 13 55.148 0.15 . 1 . . . . 314 LEU CA . 26815 1 1422 . 1 1 314 314 LEU CB C 13 39.474 0.15 . 1 . . . . 314 LEU CB . 26815 1 1423 . 1 1 314 314 LEU N N 15 117.036 0.1 . 1 . . . . 314 LEU N . 26815 1 1424 . 1 1 315 315 ASP H H 1 7.669 0.02 . 1 . . . . 315 ASP H . 26815 1 1425 . 1 1 315 315 ASP C C 13 177.591 0.15 . 1 . . . . 315 ASP C . 26815 1 1426 . 1 1 315 315 ASP CA C 13 58.627 0.15 . 1 . . . . 315 ASP CA . 26815 1 1427 . 1 1 315 315 ASP CB C 13 37.595 0.15 . 1 . . . . 315 ASP CB . 26815 1 1428 . 1 1 315 315 ASP N N 15 121.125 0.1 . 1 . . . . 315 ASP N . 26815 1 1429 . 1 1 316 316 PRO C C 13 177.501 0.15 . 1 . . . . 316 PRO C . 26815 1 1430 . 1 1 316 316 PRO CA C 13 64.722 0.15 . 1 . . . . 316 PRO CA . 26815 1 1431 . 1 1 317 317 VAL H H 1 6.664 0.02 . 1 . . . . 317 VAL H . 26815 1 1432 . 1 1 317 317 VAL C C 13 176.577 0.15 . 1 . . . . 317 VAL C . 26815 1 1433 . 1 1 317 317 VAL CA C 13 66.520 0.15 . 1 . . . . 317 VAL CA . 26815 1 1434 . 1 1 317 317 VAL CB C 13 29.782 0.15 . 1 . . . . 317 VAL CB . 26815 1 1435 . 1 1 317 317 VAL N N 15 115.682 0.1 . 1 . . . . 317 VAL N . 26815 1 1436 . 1 1 318 318 GLU H H 1 7.821 0.02 . 1 . . . . 318 GLU H . 26815 1 1437 . 1 1 318 318 GLU C C 13 179.565 0.15 . 1 . . . . 318 GLU C . 26815 1 1438 . 1 1 318 318 GLU CA C 13 59.770 0.15 . 1 . . . . 318 GLU CA . 26815 1 1439 . 1 1 318 318 GLU CB C 13 28.836 0.15 . 1 . . . . 318 GLU CB . 26815 1 1440 . 1 1 318 318 GLU N N 15 118.886 0.1 . 1 . . . . 318 GLU N . 26815 1 1441 . 1 1 319 319 LYS H H 1 8.185 0.02 . 1 . . . . 319 LYS H . 26815 1 1442 . 1 1 319 319 LYS C C 13 177.298 0.15 . 1 . . . . 319 LYS C . 26815 1 1443 . 1 1 319 319 LYS CA C 13 58.944 0.15 . 1 . . . . 319 LYS CA . 26815 1 1444 . 1 1 319 319 LYS CB C 13 31.628 0.15 . 1 . . . . 319 LYS CB . 26815 1 1445 . 1 1 319 319 LYS N N 15 120.853 0.1 . 1 . . . . 319 LYS N . 26815 1 1446 . 1 1 320 320 ALA H H 1 8.338 0.02 . 1 . . . . 320 ALA H . 26815 1 1447 . 1 1 320 320 ALA C C 13 181.791 0.15 . 1 . . . . 320 ALA C . 26815 1 1448 . 1 1 320 320 ALA CA C 13 54.826 0.15 . 1 . . . . 320 ALA CA . 26815 1 1449 . 1 1 320 320 ALA CB C 13 15.976 0.15 . 1 . . . . 320 ALA CB . 26815 1 1450 . 1 1 320 320 ALA N N 15 121.770 0.1 . 1 . . . . 320 ALA N . 26815 1 1451 . 1 1 321 321 LEU H H 1 8.080 0.02 . 1 . . . . 321 LEU H . 26815 1 1452 . 1 1 321 321 LEU C C 13 177.916 0.15 . 1 . . . . 321 LEU C . 26815 1 1453 . 1 1 321 321 LEU CA C 13 58.317 0.15 . 1 . . . . 321 LEU CA . 26815 1 1454 . 1 1 321 321 LEU CB C 13 39.845 0.15 . 1 . . . . 321 LEU CB . 26815 1 1455 . 1 1 321 321 LEU N N 15 120.565 0.1 . 1 . . . . 321 LEU N . 26815 1 1456 . 1 1 322 322 ARG H H 1 7.934 0.02 . 1 . . . . 322 ARG H . 26815 1 1457 . 1 1 322 322 ARG C C 13 174.216 0.15 . 1 . . . . 322 ARG C . 26815 1 1458 . 1 1 322 322 ARG CA C 13 58.883 0.15 . 1 . . . . 322 ARG CA . 26815 1 1459 . 1 1 322 322 ARG CB C 13 28.866 0.15 . 1 . . . . 322 ARG CB . 26815 1 1460 . 1 1 322 322 ARG N N 15 119.771 0.1 . 1 . . . . 322 ARG N . 26815 1 1461 . 1 1 323 323 ASP H H 1 8.904 0.02 . 1 . . . . 323 ASP H . 26815 1 1462 . 1 1 323 323 ASP C C 13 177.741 0.15 . 1 . . . . 323 ASP C . 26815 1 1463 . 1 1 323 323 ASP CA C 13 56.548 0.15 . 1 . . . . 323 ASP CA . 26815 1 1464 . 1 1 323 323 ASP CB C 13 39.285 0.15 . 1 . . . . 323 ASP CB . 26815 1 1465 . 1 1 323 323 ASP N N 15 122.446 0.1 . 1 . . . . 323 ASP N . 26815 1 1466 . 1 1 324 324 ALA H H 1 7.731 0.02 . 1 . . . . 324 ALA H . 26815 1 1467 . 1 1 324 324 ALA C C 13 174.791 0.15 . 1 . . . . 324 ALA C . 26815 1 1468 . 1 1 324 324 ALA CA C 13 51.813 0.15 . 1 . . . . 324 ALA CA . 26815 1 1469 . 1 1 324 324 ALA CB C 13 18.291 0.15 . 1 . . . . 324 ALA CB . 26815 1 1470 . 1 1 324 324 ALA N N 15 120.777 0.1 . 1 . . . . 324 ALA N . 26815 1 1471 . 1 1 325 325 LYS H H 1 7.866 0.02 . 1 . . . . 325 LYS H . 26815 1 1472 . 1 1 325 325 LYS C C 13 175.252 0.15 . 1 . . . . 325 LYS C . 26815 1 1473 . 1 1 325 325 LYS CA C 13 56.294 0.15 . 1 . . . . 325 LYS CA . 26815 1 1474 . 1 1 325 325 LYS CB C 13 27.799 0.15 . 1 . . . . 325 LYS CB . 26815 1 1475 . 1 1 325 325 LYS N N 15 115.808 0.1 . 1 . . . . 325 LYS N . 26815 1 1476 . 1 1 326 326 LEU H H 1 7.920 0.02 . 1 . . . . 326 LEU H . 26815 1 1477 . 1 1 326 326 LEU C C 13 175.710 0.15 . 1 . . . . 326 LEU C . 26815 1 1478 . 1 1 326 326 LEU CA C 13 52.429 0.15 . 1 . . . . 326 LEU CA . 26815 1 1479 . 1 1 326 326 LEU CB C 13 44.951 0.15 . 1 . . . . 326 LEU CB . 26815 1 1480 . 1 1 326 326 LEU N N 15 118.138 0.1 . 1 . . . . 326 LEU N . 26815 1 1481 . 1 1 327 327 ASP H H 1 8.593 0.02 . 1 . . . . 327 ASP H . 26815 1 1482 . 1 1 327 327 ASP C C 13 177.795 0.15 . 1 . . . . 327 ASP C . 26815 1 1483 . 1 1 327 327 ASP CA C 13 52.504 0.15 . 1 . . . . 327 ASP CA . 26815 1 1484 . 1 1 327 327 ASP CB C 13 43.517 0.15 . 1 . . . . 327 ASP CB . 26815 1 1485 . 1 1 327 327 ASP N N 15 120.521 0.1 . 1 . . . . 327 ASP N . 26815 1 1486 . 1 1 328 328 LYS H H 1 8.819 0.02 . 1 . . . . 328 LYS H . 26815 1 1487 . 1 1 328 328 LYS C C 13 177.666 0.15 . 1 . . . . 328 LYS C . 26815 1 1488 . 1 1 328 328 LYS CA C 13 59.494 0.15 . 1 . . . . 328 LYS CA . 26815 1 1489 . 1 1 328 328 LYS CB C 13 30.948 0.15 . 1 . . . . 328 LYS CB . 26815 1 1490 . 1 1 328 328 LYS N N 15 122.500 0.1 . 1 . . . . 328 LYS N . 26815 1 1491 . 1 1 329 329 SER H H 1 8.548 0.02 . 1 . . . . 329 SER H . 26815 1 1492 . 1 1 329 329 SER C C 13 175.256 0.15 . 1 . . . . 329 SER C . 26815 1 1493 . 1 1 329 329 SER CA C 13 60.034 0.15 . 1 . . . . 329 SER CA . 26815 1 1494 . 1 1 329 329 SER CB C 13 62.486 0.15 . 1 . . . . 329 SER CB . 26815 1 1495 . 1 1 329 329 SER N N 15 115.303 0.1 . 1 . . . . 329 SER N . 26815 1 1496 . 1 1 330 330 GLN H H 1 7.973 0.02 . 1 . . . . 330 GLN H . 26815 1 1497 . 1 1 330 330 GLN C C 13 174.011 0.15 . 1 . . . . 330 GLN C . 26815 1 1498 . 1 1 330 330 GLN CA C 13 55.168 0.15 . 1 . . . . 330 GLN CA . 26815 1 1499 . 1 1 330 330 GLN CB C 13 29.533 0.15 . 1 . . . . 330 GLN CB . 26815 1 1500 . 1 1 330 330 GLN N N 15 120.313 0.1 . 1 . . . . 330 GLN N . 26815 1 1501 . 1 1 331 331 ILE H H 1 6.863 0.02 . 1 . . . . 331 ILE H . 26815 1 1502 . 1 1 331 331 ILE C C 13 175.097 0.15 . 1 . . . . 331 ILE C . 26815 1 1503 . 1 1 331 331 ILE CA C 13 57.339 0.15 . 1 . . . . 331 ILE CA . 26815 1 1504 . 1 1 331 331 ILE CB C 13 34.042 0.15 . 1 . . . . 331 ILE CB . 26815 1 1505 . 1 1 331 331 ILE N N 15 118.035 0.1 . 1 . . . . 331 ILE N . 26815 1 1506 . 1 1 332 332 HIS H H 1 9.002 0.02 . 1 . . . . 332 HIS H . 26815 1 1507 . 1 1 332 332 HIS C C 13 176.039 0.15 . 1 . . . . 332 HIS C . 26815 1 1508 . 1 1 332 332 HIS CA C 13 60.404 0.15 . 1 . . . . 332 HIS CA . 26815 1 1509 . 1 1 332 332 HIS CB C 13 31.299 0.15 . 1 . . . . 332 HIS CB . 26815 1 1510 . 1 1 332 332 HIS N N 15 129.677 0.1 . 1 . . . . 332 HIS N . 26815 1 1511 . 1 1 333 333 ASP H H 1 7.373 0.02 . 1 . . . . 333 ASP H . 26815 1 1512 . 1 1 333 333 ASP C C 13 173.028 0.15 . 1 . . . . 333 ASP C . 26815 1 1513 . 1 1 333 333 ASP CA C 13 52.742 0.15 . 1 . . . . 333 ASP CA . 26815 1 1514 . 1 1 333 333 ASP CB C 13 46.232 0.15 . 1 . . . . 333 ASP CB . 26815 1 1515 . 1 1 333 333 ASP N N 15 115.937 0.1 . 1 . . . . 333 ASP N . 26815 1 1516 . 1 1 334 334 ILE H H 1 9.250 0.02 . 1 . . . . 334 ILE H . 26815 1 1517 . 1 1 334 334 ILE C C 13 175.122 0.15 . 1 . . . . 334 ILE C . 26815 1 1518 . 1 1 334 334 ILE CA C 13 59.850 0.15 . 1 . . . . 334 ILE CA . 26815 1 1519 . 1 1 334 334 ILE CB C 13 38.782 0.15 . 1 . . . . 334 ILE CB . 26815 1 1520 . 1 1 334 334 ILE N N 15 122.918 0.1 . 1 . . . . 334 ILE N . 26815 1 1521 . 1 1 335 335 VAL H H 1 9.146 0.02 . 1 . . . . 335 VAL H . 26815 1 1522 . 1 1 335 335 VAL C C 13 173.785 0.15 . 1 . . . . 335 VAL C . 26815 1 1523 . 1 1 335 335 VAL CA C 13 60.791 0.15 . 1 . . . . 335 VAL CA . 26815 1 1524 . 1 1 335 335 VAL CB C 13 33.400 0.15 . 1 . . . . 335 VAL CB . 26815 1 1525 . 1 1 335 335 VAL N N 15 130.303 0.1 . 1 . . . . 335 VAL N . 26815 1 1526 . 1 1 336 336 LEU H H 1 7.857 0.02 . 1 . . . . 336 LEU H . 26815 1 1527 . 1 1 336 336 LEU C C 13 174.195 0.15 . 1 . . . . 336 LEU C . 26815 1 1528 . 1 1 336 336 LEU CA C 13 53.938 0.15 . 1 . . . . 336 LEU CA . 26815 1 1529 . 1 1 336 336 LEU CB C 13 40.211 0.15 . 1 . . . . 336 LEU CB . 26815 1 1530 . 1 1 336 336 LEU N N 15 126.682 0.1 . 1 . . . . 336 LEU N . 26815 1 1531 . 1 1 337 337 VAL H H 1 9.104 0.02 . 1 . . . . 337 VAL H . 26815 1 1532 . 1 1 337 337 VAL C C 13 172.582 0.15 . 1 . . . . 337 VAL C . 26815 1 1533 . 1 1 337 337 VAL CA C 13 60.046 0.15 . 1 . . . . 337 VAL CA . 26815 1 1534 . 1 1 337 337 VAL CB C 13 34.301 0.15 . 1 . . . . 337 VAL CB . 26815 1 1535 . 1 1 337 337 VAL N N 15 124.083 0.1 . 1 . . . . 337 VAL N . 26815 1 1536 . 1 1 338 338 GLY H H 1 7.022 0.02 . 1 . . . . 338 GLY H . 26815 1 1537 . 1 1 338 338 GLY C C 13 177.024 0.15 . 1 . . . . 338 GLY C . 26815 1 1538 . 1 1 338 338 GLY CA C 13 42.283 0.15 . 1 . . . . 338 GLY CA . 26815 1 1539 . 1 1 338 338 GLY N N 15 110.179 0.1 . 1 . . . . 338 GLY N . 26815 1 1540 . 1 1 339 339 GLY H H 1 9.744 0.02 . 1 . . . . 339 GLY H . 26815 1 1541 . 1 1 339 339 GLY C C 13 174.233 0.15 . 1 . . . . 339 GLY C . 26815 1 1542 . 1 1 339 339 GLY CA C 13 47.253 0.15 . 1 . . . . 339 GLY CA . 26815 1 1543 . 1 1 339 339 GLY N N 15 114.218 0.1 . 1 . . . . 339 GLY N . 26815 1 1544 . 1 1 340 340 SER H H 1 7.643 0.02 . 1 . . . . 340 SER H . 26815 1 1545 . 1 1 340 340 SER C C 13 174.766 0.15 . 1 . . . . 340 SER C . 26815 1 1546 . 1 1 340 340 SER CA C 13 59.973 0.15 . 1 . . . . 340 SER CA . 26815 1 1547 . 1 1 340 340 SER CB C 13 62.677 0.15 . 1 . . . . 340 SER CB . 26815 1 1548 . 1 1 340 340 SER N N 15 110.182 0.1 . 1 . . . . 340 SER N . 26815 1 1549 . 1 1 341 341 THR C C 13 173.868 0.15 . 1 . . . . 341 THR C . 26815 1 1550 . 1 1 341 341 THR CA C 13 63.576 0.15 . 1 . . . . 341 THR CA . 26815 1 1551 . 1 1 341 341 THR CB C 13 67.672 0.15 . 1 . . . . 341 THR CB . 26815 1 1552 . 1 1 342 342 ARG H H 1 6.596 0.02 . 1 . . . . 342 ARG H . 26815 1 1553 . 1 1 342 342 ARG C C 13 175.747 0.15 . 1 . . . . 342 ARG C . 26815 1 1554 . 1 1 342 342 ARG CA C 13 57.012 0.15 . 1 . . . . 342 ARG CA . 26815 1 1555 . 1 1 342 342 ARG CB C 13 29.655 0.15 . 1 . . . . 342 ARG CB . 26815 1 1556 . 1 1 342 342 ARG N N 15 116.920 0.1 . 1 . . . . 342 ARG N . 26815 1 1557 . 1 1 343 343 ILE H H 1 6.960 0.02 . 1 . . . . 343 ILE H . 26815 1 1558 . 1 1 343 343 ILE C C 13 175.734 0.15 . 1 . . . . 343 ILE C . 26815 1 1559 . 1 1 343 343 ILE CA C 13 60.108 0.15 . 1 . . . . 343 ILE CA . 26815 1 1560 . 1 1 343 343 ILE CB C 13 37.861 0.15 . 1 . . . . 343 ILE CB . 26815 1 1561 . 1 1 343 343 ILE N N 15 119.962 0.1 . 1 . . . . 343 ILE N . 26815 1 1562 . 1 1 344 344 PRO C C 13 179.402 0.15 . 1 . . . . 344 PRO C . 26815 1 1563 . 1 1 344 344 PRO CA C 13 65.682 0.15 . 1 . . . . 344 PRO CA . 26815 1 1564 . 1 1 344 344 PRO CB C 13 30.741 0.15 . 1 . . . . 344 PRO CB . 26815 1 1565 . 1 1 345 345 LYS H H 1 9.363 0.02 . 1 . . . . 345 LYS H . 26815 1 1566 . 1 1 345 345 LYS C C 13 178.023 0.15 . 1 . . . . 345 LYS C . 26815 1 1567 . 1 1 345 345 LYS CA C 13 57.157 0.15 . 1 . . . . 345 LYS CA . 26815 1 1568 . 1 1 345 345 LYS CB C 13 30.482 0.15 . 1 . . . . 345 LYS CB . 26815 1 1569 . 1 1 345 345 LYS N N 15 118.891 0.1 . 1 . . . . 345 LYS N . 26815 1 1570 . 1 1 346 346 ILE H H 1 6.457 0.02 . 1 . . . . 346 ILE H . 26815 1 1571 . 1 1 346 346 ILE C C 13 176.644 0.15 . 1 . . . . 346 ILE C . 26815 1 1572 . 1 1 346 346 ILE CA C 13 62.419 0.15 . 1 . . . . 346 ILE CA . 26815 1 1573 . 1 1 346 346 ILE CB C 13 35.180 0.15 . 1 . . . . 346 ILE CB . 26815 1 1574 . 1 1 346 346 ILE N N 15 116.215 0.1 . 1 . . . . 346 ILE N . 26815 1 1575 . 1 1 347 347 GLN H H 1 6.859 0.02 . 1 . . . . 347 GLN H . 26815 1 1576 . 1 1 347 347 GLN C C 13 177.792 0.15 . 1 . . . . 347 GLN C . 26815 1 1577 . 1 1 347 347 GLN CA C 13 59.153 0.15 . 1 . . . . 347 GLN CA . 26815 1 1578 . 1 1 347 347 GLN CB C 13 26.195 0.15 . 1 . . . . 347 GLN CB . 26815 1 1579 . 1 1 347 347 GLN N N 15 116.338 0.1 . 1 . . . . 347 GLN N . 26815 1 1580 . 1 1 348 348 LYS H H 1 8.026 0.02 . 1 . . . . 348 LYS H . 26815 1 1581 . 1 1 348 348 LYS C C 13 178.167 0.15 . 1 . . . . 348 LYS C . 26815 1 1582 . 1 1 348 348 LYS CA C 13 58.255 0.15 . 1 . . . . 348 LYS CA . 26815 1 1583 . 1 1 348 348 LYS CB C 13 31.406 0.15 . 1 . . . . 348 LYS CB . 26815 1 1584 . 1 1 348 348 LYS N N 15 119.473 0.1 . 1 . . . . 348 LYS N . 26815 1 1585 . 1 1 349 349 LEU H H 1 8.122 0.02 . 1 . . . . 349 LEU H . 26815 1 1586 . 1 1 349 349 LEU C C 13 180.351 0.15 . 1 . . . . 349 LEU C . 26815 1 1587 . 1 1 349 349 LEU CA C 13 57.377 0.15 . 1 . . . . 349 LEU CA . 26815 1 1588 . 1 1 349 349 LEU CB C 13 41.183 0.15 . 1 . . . . 349 LEU CB . 26815 1 1589 . 1 1 349 349 LEU N N 15 119.444 0.1 . 1 . . . . 349 LEU N . 26815 1 1590 . 1 1 350 350 LEU C C 13 178.154 0.15 . 1 . . . . 350 LEU C . 26815 1 1591 . 1 1 350 350 LEU CA C 13 56.896 0.15 . 1 . . . . 350 LEU CA . 26815 1 1592 . 1 1 350 350 LEU CB C 13 41.148 0.15 . 1 . . . . 350 LEU CB . 26815 1 1593 . 1 1 351 351 GLN H H 1 8.584 0.02 . 1 . . . . 351 GLN H . 26815 1 1594 . 1 1 351 351 GLN C C 13 179.106 0.15 . 1 . . . . 351 GLN C . 26815 1 1595 . 1 1 351 351 GLN CA C 13 59.861 0.15 . 1 . . . . 351 GLN CA . 26815 1 1596 . 1 1 351 351 GLN CB C 13 27.905 0.15 . 1 . . . . 351 GLN CB . 26815 1 1597 . 1 1 351 351 GLN N N 15 120.227 0.1 . 1 . . . . 351 GLN N . 26815 1 1598 . 1 1 352 352 ASP H H 1 8.771 0.02 . 1 . . . . 352 ASP H . 26815 1 1599 . 1 1 352 352 ASP C C 13 180.279 0.15 . 1 . . . . 352 ASP C . 26815 1 1600 . 1 1 352 352 ASP CA C 13 56.706 0.15 . 1 . . . . 352 ASP CA . 26815 1 1601 . 1 1 352 352 ASP CB C 13 39.062 0.15 . 1 . . . . 352 ASP CB . 26815 1 1602 . 1 1 352 352 ASP N N 15 119.965 0.1 . 1 . . . . 352 ASP N . 26815 1 1603 . 1 1 353 353 PHE H H 1 8.021 0.02 . 1 . . . . 353 PHE H . 26815 1 1604 . 1 1 353 353 PHE C C 13 176.080 0.15 . 1 . . . . 353 PHE C . 26815 1 1605 . 1 1 353 353 PHE CA C 13 61.212 0.15 . 1 . . . . 353 PHE CA . 26815 1 1606 . 1 1 353 353 PHE CB C 13 38.169 0.15 . 1 . . . . 353 PHE CB . 26815 1 1607 . 1 1 353 353 PHE N N 15 124.622 0.1 . 1 . . . . 353 PHE N . 26815 1 1608 . 1 1 354 354 PHE H H 1 7.646 0.02 . 1 . . . . 354 PHE H . 26815 1 1609 . 1 1 354 354 PHE C C 13 175.044 0.15 . 1 . . . . 354 PHE C . 26815 1 1610 . 1 1 354 354 PHE CA C 13 58.853 0.15 . 1 . . . . 354 PHE CA . 26815 1 1611 . 1 1 354 354 PHE CB C 13 36.998 0.15 . 1 . . . . 354 PHE CB . 26815 1 1612 . 1 1 354 354 PHE N N 15 114.904 0.1 . 1 . . . . 354 PHE N . 26815 1 1613 . 1 1 355 355 ASN H H 1 7.840 0.02 . 1 . . . . 355 ASN H . 26815 1 1614 . 1 1 355 355 ASN C C 13 175.333 0.15 . 1 . . . . 355 ASN C . 26815 1 1615 . 1 1 355 355 ASN CA C 13 54.254 0.15 . 1 . . . . 355 ASN CA . 26815 1 1616 . 1 1 355 355 ASN CB C 13 36.433 0.15 . 1 . . . . 355 ASN CB . 26815 1 1617 . 1 1 355 355 ASN N N 15 116.272 0.1 . 1 . . . . 355 ASN N . 26815 1 1618 . 1 1 356 356 GLY H H 1 8.753 0.02 . 1 . . . . 356 GLY H . 26815 1 1619 . 1 1 356 356 GLY C C 13 174.233 0.15 . 1 . . . . 356 GLY C . 26815 1 1620 . 1 1 356 356 GLY CA C 13 44.870 0.15 . 1 . . . . 356 GLY CA . 26815 1 1621 . 1 1 356 356 GLY N N 15 105.967 0.1 . 1 . . . . 356 GLY N . 26815 1 1622 . 1 1 357 357 LYS H H 1 6.977 0.02 . 1 . . . . 357 LYS H . 26815 1 1623 . 1 1 357 357 LYS C C 13 174.252 0.15 . 1 . . . . 357 LYS C . 26815 1 1624 . 1 1 357 357 LYS CA C 13 56.552 0.15 . 1 . . . . 357 LYS CA . 26815 1 1625 . 1 1 357 357 LYS CB C 13 32.979 0.15 . 1 . . . . 357 LYS CB . 26815 1 1626 . 1 1 357 357 LYS N N 15 124.009 0.1 . 1 . . . . 357 LYS N . 26815 1 1627 . 1 1 358 358 GLU H H 1 8.126 0.02 . 1 . . . . 358 GLU H . 26815 1 1628 . 1 1 358 358 GLU C C 13 175.524 0.15 . 1 . . . . 358 GLU C . 26815 1 1629 . 1 1 358 358 GLU CA C 13 56.389 0.15 . 1 . . . . 358 GLU CA . 26815 1 1630 . 1 1 358 358 GLU CB C 13 28.986 0.15 . 1 . . . . 358 GLU CB . 26815 1 1631 . 1 1 358 358 GLU N N 15 122.837 0.1 . 1 . . . . 358 GLU N . 26815 1 1632 . 1 1 359 359 LEU H H 1 8.421 0.02 . 1 . . . . 359 LEU H . 26815 1 1633 . 1 1 359 359 LEU C C 13 176.385 0.15 . 1 . . . . 359 LEU C . 26815 1 1634 . 1 1 359 359 LEU CA C 13 52.467 0.15 . 1 . . . . 359 LEU CA . 26815 1 1635 . 1 1 359 359 LEU CB C 13 42.003 0.15 . 1 . . . . 359 LEU CB . 26815 1 1636 . 1 1 359 359 LEU N N 15 121.632 0.1 . 1 . . . . 359 LEU N . 26815 1 1637 . 1 1 360 360 ASN H H 1 8.429 0.02 . 1 . . . . 360 ASN H . 26815 1 1638 . 1 1 360 360 ASN CA C 13 53.992 0.15 . 1 . . . . 360 ASN CA . 26815 1 1639 . 1 1 360 360 ASN CB C 13 37.241 0.15 . 1 . . . . 360 ASN CB . 26815 1 1640 . 1 1 360 360 ASN N N 15 120.741 0.1 . 1 . . . . 360 ASN N . 26815 1 1641 . 1 1 361 361 LYS H H 1 8.604 0.02 . 1 . . . . 361 LYS H . 26815 1 1642 . 1 1 361 361 LYS C C 13 174.657 0.15 . 1 . . . . 361 LYS C . 26815 1 1643 . 1 1 361 361 LYS CA C 13 54.838 0.15 . 1 . . . . 361 LYS CA . 26815 1 1644 . 1 1 361 361 LYS CB C 13 31.755 0.15 . 1 . . . . 361 LYS CB . 26815 1 1645 . 1 1 361 361 LYS N N 15 120.821 0.1 . 1 . . . . 361 LYS N . 26815 1 1646 . 1 1 362 362 SER H H 1 7.811 0.02 . 1 . . . . 362 SER H . 26815 1 1647 . 1 1 362 362 SER C C 13 175.772 0.15 . 1 . . . . 362 SER C . 26815 1 1648 . 1 1 362 362 SER CA C 13 59.847 0.15 . 1 . . . . 362 SER CA . 26815 1 1649 . 1 1 362 362 SER CB C 13 62.065 0.15 . 1 . . . . 362 SER CB . 26815 1 1650 . 1 1 362 362 SER N N 15 117.865 0.1 . 1 . . . . 362 SER N . 26815 1 1651 . 1 1 363 363 ILE H H 1 8.154 0.02 . 1 . . . . 363 ILE H . 26815 1 1652 . 1 1 363 363 ILE C C 13 175.367 0.15 . 1 . . . . 363 ILE C . 26815 1 1653 . 1 1 363 363 ILE CA C 13 59.837 0.15 . 1 . . . . 363 ILE CA . 26815 1 1654 . 1 1 363 363 ILE CB C 13 37.000 0.15 . 1 . . . . 363 ILE CB . 26815 1 1655 . 1 1 363 363 ILE N N 15 125.617 0.1 . 1 . . . . 363 ILE N . 26815 1 1656 . 1 1 364 364 ASN H H 1 8.786 0.02 . 1 . . . . 364 ASN H . 26815 1 1657 . 1 1 364 364 ASN CA C 13 50.781 0.15 . 1 . . . . 364 ASN CA . 26815 1 1658 . 1 1 364 364 ASN CB C 13 36.160 0.15 . 1 . . . . 364 ASN CB . 26815 1 1659 . 1 1 364 364 ASN N N 15 128.239 0.1 . 1 . . . . 364 ASN N . 26815 1 1660 . 1 1 367 367 GLU H H 1 8.238 0.02 . 1 . . . . 367 GLU H . 26815 1 1661 . 1 1 368 368 ALA H H 1 8.952 0.02 . 1 . . . . 368 ALA H . 26815 1 1662 . 1 1 368 368 ALA CA C 13 49.882 0.15 . 1 . . . . 368 ALA CA . 26815 1 1663 . 1 1 368 368 ALA CB C 13 21.005 0.15 . 1 . . . . 368 ALA CB . 26815 1 1664 . 1 1 368 368 ALA N N 15 126.190 0.1 . 1 . . . . 368 ALA N . 26815 1 1665 . 1 1 370 370 ALA C C 13 178.595 0.15 . 1 . . . . 370 ALA C . 26815 1 1666 . 1 1 370 370 ALA CA C 13 54.746 0.15 . 1 . . . . 370 ALA CA . 26815 1 1667 . 1 1 370 370 ALA CB C 13 17.373 0.15 . 1 . . . . 370 ALA CB . 26815 1 1668 . 1 1 371 371 TYR H H 1 8.378 0.02 . 1 . . . . 371 TYR H . 26815 1 1669 . 1 1 371 371 TYR C C 13 178.586 0.15 . 1 . . . . 371 TYR C . 26815 1 1670 . 1 1 371 371 TYR CA C 13 59.509 0.15 . 1 . . . . 371 TYR CA . 26815 1 1671 . 1 1 371 371 TYR CB C 13 37.924 0.15 . 1 . . . . 371 TYR CB . 26815 1 1672 . 1 1 371 371 TYR N N 15 118.047 0.1 . 1 . . . . 371 TYR N . 26815 1 1673 . 1 1 372 372 GLY H H 1 8.114 0.02 . 1 . . . . 372 GLY H . 26815 1 1674 . 1 1 372 372 GLY C C 13 175.970 0.15 . 1 . . . . 372 GLY C . 26815 1 1675 . 1 1 372 372 GLY CA C 13 46.353 0.15 . 1 . . . . 372 GLY CA . 26815 1 1676 . 1 1 372 372 GLY N N 15 105.628 0.1 . 1 . . . . 372 GLY N . 26815 1 1677 . 1 1 373 373 ALA H H 1 8.394 0.02 . 1 . . . . 373 ALA H . 26815 1 1678 . 1 1 373 373 ALA C C 13 178.602 0.15 . 1 . . . . 373 ALA C . 26815 1 1679 . 1 1 373 373 ALA CA C 13 54.556 0.15 . 1 . . . . 373 ALA CA . 26815 1 1680 . 1 1 373 373 ALA CB C 13 16.639 0.15 . 1 . . . . 373 ALA CB . 26815 1 1681 . 1 1 373 373 ALA N N 15 123.458 0.1 . 1 . . . . 373 ALA N . 26815 1 1682 . 1 1 374 374 ALA H H 1 8.576 0.02 . 1 . . . . 374 ALA H . 26815 1 1683 . 1 1 374 374 ALA C C 13 180.671 0.15 . 1 . . . . 374 ALA C . 26815 1 1684 . 1 1 374 374 ALA CA C 13 54.260 0.15 . 1 . . . . 374 ALA CA . 26815 1 1685 . 1 1 374 374 ALA CB C 13 16.712 0.15 . 1 . . . . 374 ALA CB . 26815 1 1686 . 1 1 374 374 ALA N N 15 122.798 0.1 . 1 . . . . 374 ALA N . 26815 1 1687 . 1 1 375 375 VAL H H 1 7.795 0.02 . 1 . . . . 375 VAL H . 26815 1 1688 . 1 1 375 375 VAL C C 13 177.699 0.15 . 1 . . . . 375 VAL C . 26815 1 1689 . 1 1 375 375 VAL CA C 13 66.417 0.15 . 1 . . . . 375 VAL CA . 26815 1 1690 . 1 1 375 375 VAL CB C 13 30.569 0.15 . 1 . . . . 375 VAL CB . 26815 1 1691 . 1 1 375 375 VAL N N 15 121.704 0.1 . 1 . . . . 375 VAL N . 26815 1 1692 . 1 1 376 376 GLN C C 13 178.212 0.15 . 1 . . . . 376 GLN C . 26815 1 1693 . 1 1 376 376 GLN CA C 13 57.590 0.15 . 1 . . . . 376 GLN CA . 26815 1 1694 . 1 1 376 376 GLN CB C 13 27.462 0.15 . 1 . . . . 376 GLN CB . 26815 1 1695 . 1 1 377 377 ALA H H 1 8.633 0.02 . 1 . . . . 377 ALA H . 26815 1 1696 . 1 1 377 377 ALA C C 13 178.256 0.15 . 1 . . . . 377 ALA C . 26815 1 1697 . 1 1 377 377 ALA CA C 13 54.839 0.15 . 1 . . . . 377 ALA CA . 26815 1 1698 . 1 1 377 377 ALA CB C 13 17.197 0.15 . 1 . . . . 377 ALA CB . 26815 1 1699 . 1 1 377 377 ALA N N 15 121.783 0.1 . 1 . . . . 377 ALA N . 26815 1 1700 . 1 1 378 378 ALA H H 1 7.442 0.02 . 1 . . . . 378 ALA H . 26815 1 1701 . 1 1 378 378 ALA C C 13 180.267 0.15 . 1 . . . . 378 ALA C . 26815 1 1702 . 1 1 378 378 ALA CA C 13 53.974 0.15 . 1 . . . . 378 ALA CA . 26815 1 1703 . 1 1 378 378 ALA CB C 13 17.827 0.15 . 1 . . . . 378 ALA CB . 26815 1 1704 . 1 1 378 378 ALA N N 15 120.576 0.1 . 1 . . . . 378 ALA N . 26815 1 1705 . 1 1 379 379 ILE H H 1 7.653 0.02 . 1 . . . . 379 ILE H . 26815 1 1706 . 1 1 379 379 ILE C C 13 179.590 0.15 . 1 . . . . 379 ILE C . 26815 1 1707 . 1 1 379 379 ILE CA C 13 63.752 0.15 . 1 . . . . 379 ILE CA . 26815 1 1708 . 1 1 379 379 ILE CB C 13 37.334 0.15 . 1 . . . . 379 ILE CB . 26815 1 1709 . 1 1 379 379 ILE N N 15 120.399 0.1 . 1 . . . . 379 ILE N . 26815 1 1710 . 1 1 380 380 LEU H H 1 7.961 0.02 . 1 . . . . 380 LEU H . 26815 1 1711 . 1 1 380 380 LEU C C 13 178.331 0.15 . 1 . . . . 380 LEU C . 26815 1 1712 . 1 1 380 380 LEU CA C 13 56.004 0.15 . 1 . . . . 380 LEU CA . 26815 1 1713 . 1 1 380 380 LEU CB C 13 40.745 0.15 . 1 . . . . 380 LEU CB . 26815 1 1714 . 1 1 380 380 LEU N N 15 119.172 0.1 . 1 . . . . 380 LEU N . 26815 1 1715 . 1 1 381 381 SER H H 1 7.870 0.02 . 1 . . . . 381 SER H . 26815 1 1716 . 1 1 381 381 SER C C 13 174.882 0.15 . 1 . . . . 381 SER C . 26815 1 1717 . 1 1 381 381 SER CA C 13 58.622 0.15 . 1 . . . . 381 SER CA . 26815 1 1718 . 1 1 381 381 SER CB C 13 63.148 0.15 . 1 . . . . 381 SER CB . 26815 1 1719 . 1 1 381 381 SER N N 15 113.714 0.1 . 1 . . . . 381 SER N . 26815 1 1720 . 1 1 382 382 GLY H H 1 7.659 0.02 . 1 . . . . 382 GLY H . 26815 1 1721 . 1 1 382 382 GLY C C 13 173.898 0.15 . 1 . . . . 382 GLY C . 26815 1 1722 . 1 1 382 382 GLY CA C 13 44.942 0.15 . 1 . . . . 382 GLY CA . 26815 1 1723 . 1 1 382 382 GLY N N 15 109.701 0.1 . 1 . . . . 382 GLY N . 26815 1 1724 . 1 1 383 383 ASP H H 1 8.118 0.02 . 1 . . . . 383 ASP H . 26815 1 1725 . 1 1 383 383 ASP C C 13 175.644 0.15 . 1 . . . . 383 ASP C . 26815 1 1726 . 1 1 383 383 ASP CA C 13 54.569 0.15 . 1 . . . . 383 ASP CA . 26815 1 1727 . 1 1 383 383 ASP CB C 13 40.951 0.15 . 1 . . . . 383 ASP CB . 26815 1 1728 . 1 1 383 383 ASP N N 15 121.328 0.1 . 1 . . . . 383 ASP N . 26815 1 1729 . 1 1 384 384 LYS H H 1 7.904 0.02 . 1 . . . . 384 LYS H . 26815 1 1730 . 1 1 384 384 LYS C C 13 175.729 0.15 . 1 . . . . 384 LYS C . 26815 1 1731 . 1 1 384 384 LYS CA C 13 55.105 0.15 . 1 . . . . 384 LYS CA . 26815 1 1732 . 1 1 384 384 LYS CB C 13 32.607 0.15 . 1 . . . . 384 LYS CB . 26815 1 1733 . 1 1 384 384 LYS N N 15 121.772 0.1 . 1 . . . . 384 LYS N . 26815 1 1734 . 1 1 385 385 SER H H 1 8.438 0.02 . 1 . . . . 385 SER H . 26815 1 1735 . 1 1 385 385 SER C C 13 173.450 0.15 . 1 . . . . 385 SER C . 26815 1 1736 . 1 1 385 385 SER CA C 13 58.050 0.15 . 1 . . . . 385 SER CA . 26815 1 1737 . 1 1 385 385 SER CB C 13 63.221 0.15 . 1 . . . . 385 SER CB . 26815 1 1738 . 1 1 385 385 SER N N 15 119.850 0.1 . 1 . . . . 385 SER N . 26815 1 1739 . 1 1 386 386 GLU H H 1 8.000 0.02 . 1 . . . . 386 GLU H . 26815 1 1740 . 1 1 386 386 GLU C C 13 180.864 0.15 . 1 . . . . 386 GLU C . 26815 1 1741 . 1 1 386 386 GLU CA C 13 57.491 0.15 . 1 . . . . 386 GLU CA . 26815 1 1742 . 1 1 386 386 GLU CB C 13 30.122 0.15 . 1 . . . . 386 GLU CB . 26815 1 1743 . 1 1 386 386 GLU N N 15 127.832 0.1 . 1 . . . . 386 GLU N . 26815 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26815 _Assigned_chem_shift_list.ID 2 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'By assignment' _Assigned_chem_shift_list.Details ; The methyl assignments were obtained from a sample obtained from 1H-13C methyl labeled keto-acids for Ile, Val and Leu, and 1H-13C Methyl labeled Ala and Methionine. The 13C methyls in all chemicals had 12C neighbors, and are hence their 13C chemical shifts are approximately + 0.9 ppm isotope-shifted as compared with methyls in uniformly labeled samples. The methyl assignments are NOT stereospecific, with the upfield (low ppm) 13C resonance arbitrarily assigned to label "1". ; _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 9 '3D HNCA TROSY' . . . 26815 2 10 '3D HN(CO)CA TROSY' . . . 26815 2 12 '3D HNCO TROSY' . . . 26815 2 13 '3D HN(CA)CO TROSY' . . . 26815 2 14 '3D HnCANH' . . . 26815 2 15 '3D hNCANH' . . . 26815 2 17 '3D H-NH NOESY-TROSY' . . . 26815 2 18 '3D C-NH HMQC-NOESY-TROSY' . . . 26815 2 19 '3D H-CH HMQC-NOESY-HSQC' . . . 26815 2 20 '3D C-CH HMQC-NOESY-HSQC' . . . 26815 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 26815 2 3 $EZ-ASSIGN . . 26815 2 4 $NOE-Calculations . . 26815 2 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 6 6 ALA HB1 H 1 1.168 0.005 . 1 . . . . 6 ALA MB . 26815 2 2 . 1 1 6 6 ALA HB2 H 1 1.168 0.005 . 1 . . . . 6 ALA MB . 26815 2 3 . 1 1 6 6 ALA HB3 H 1 1.168 0.005 . 1 . . . . 6 ALA MB . 26815 2 4 . 1 1 6 6 ALA CB C 13 21.380 0.01 . 1 . . . . 6 ALA CB . 26815 2 5 . 1 1 7 7 VAL HG11 H 1 0.972 0.005 . 2 . . . . 7 VAL MG1 . 26815 2 6 . 1 1 7 7 VAL HG12 H 1 0.972 0.005 . 2 . . . . 7 VAL MG1 . 26815 2 7 . 1 1 7 7 VAL HG13 H 1 0.972 0.005 . 2 . . . . 7 VAL MG1 . 26815 2 8 . 1 1 7 7 VAL HG21 H 1 0.765 0.005 . 2 . . . . 7 VAL MG2 . 26815 2 9 . 1 1 7 7 VAL HG22 H 1 0.765 0.005 . 2 . . . . 7 VAL MG2 . 26815 2 10 . 1 1 7 7 VAL HG23 H 1 0.765 0.005 . 2 . . . . 7 VAL MG2 . 26815 2 11 . 1 1 7 7 VAL CG1 C 13 21.454 0.01 . 2 . . . . 7 VAL CG1 . 26815 2 12 . 1 1 7 7 VAL CG2 C 13 21.919 0.01 . 2 . . . . 7 VAL CG2 . 26815 2 13 . 1 1 26 26 VAL HG11 H 1 0.120 0.005 . 2 . . . . 26 VAL MG1 . 26815 2 14 . 1 1 26 26 VAL HG12 H 1 0.120 0.005 . 2 . . . . 26 VAL MG1 . 26815 2 15 . 1 1 26 26 VAL HG13 H 1 0.120 0.005 . 2 . . . . 26 VAL MG1 . 26815 2 16 . 1 1 26 26 VAL HG21 H 1 0.464 0.005 . 2 . . . . 26 VAL MG2 . 26815 2 17 . 1 1 26 26 VAL HG22 H 1 0.464 0.005 . 2 . . . . 26 VAL MG2 . 26815 2 18 . 1 1 26 26 VAL HG23 H 1 0.464 0.005 . 2 . . . . 26 VAL MG2 . 26815 2 19 . 1 1 26 26 VAL CG1 C 13 21.489 0.01 . 2 . . . . 26 VAL CG1 . 26815 2 20 . 1 1 26 26 VAL CG2 C 13 23.619 0.01 . 2 . . . . 26 VAL CG2 . 26815 2 21 . 1 1 28 28 ILE HD11 H 1 0.525 0.005 . 1 . . . . 28 ILE HD1 . 26815 2 22 . 1 1 28 28 ILE HD12 H 1 0.525 0.005 . 1 . . . . 28 ILE HD1 . 26815 2 23 . 1 1 28 28 ILE HD13 H 1 0.525 0.005 . 1 . . . . 28 ILE HD1 . 26815 2 24 . 1 1 28 28 ILE CD1 C 13 8.232 0.01 . 1 . . . . 28 ILE CD1 . 26815 2 25 . 1 1 29 29 ILE HD11 H 1 0.644 0.005 . 1 . . . . 29 ILE HD1 . 26815 2 26 . 1 1 29 29 ILE HD12 H 1 0.644 0.005 . 1 . . . . 29 ILE HD1 . 26815 2 27 . 1 1 29 29 ILE HD13 H 1 0.644 0.005 . 1 . . . . 29 ILE HD1 . 26815 2 28 . 1 1 29 29 ILE CD1 C 13 13.172 0.01 . 1 . . . . 29 ILE CD1 . 26815 2 29 . 1 1 30 30 ALA HB1 H 1 1.108 0.005 . 1 . . . . 30 ALA MB . 26815 2 30 . 1 1 30 30 ALA HB2 H 1 1.108 0.005 . 1 . . . . 30 ALA MB . 26815 2 31 . 1 1 30 30 ALA HB3 H 1 1.108 0.005 . 1 . . . . 30 ALA MB . 26815 2 32 . 1 1 30 30 ALA CB C 13 19.202 0.01 . 1 . . . . 30 ALA CB . 26815 2 33 . 1 1 42 42 VAL HG11 H 1 0.570 0.005 . 2 . . . . 42 VAL MG1 . 26815 2 34 . 1 1 42 42 VAL HG12 H 1 0.570 0.005 . 2 . . . . 42 VAL MG1 . 26815 2 35 . 1 1 42 42 VAL HG13 H 1 0.570 0.005 . 2 . . . . 42 VAL MG1 . 26815 2 36 . 1 1 42 42 VAL HG21 H 1 0.350 0.005 . 2 . . . . 42 VAL MG2 . 26815 2 37 . 1 1 42 42 VAL HG22 H 1 0.350 0.005 . 2 . . . . 42 VAL MG2 . 26815 2 38 . 1 1 42 42 VAL HG23 H 1 0.350 0.005 . 2 . . . . 42 VAL MG2 . 26815 2 39 . 1 1 42 42 VAL CG1 C 13 21.518 0.01 . 2 . . . . 42 VAL CG1 . 26815 2 40 . 1 1 42 42 VAL CG2 C 13 21.738 0.01 . 2 . . . . 42 VAL CG2 . 26815 2 41 . 1 1 43 43 ALA HB1 H 1 1.234 0.005 . 1 . . . . 43 ALA MB . 26815 2 42 . 1 1 43 43 ALA HB2 H 1 1.234 0.005 . 1 . . . . 43 ALA MB . 26815 2 43 . 1 1 43 43 ALA HB3 H 1 1.234 0.005 . 1 . . . . 43 ALA MB . 26815 2 44 . 1 1 43 43 ALA CB C 13 25.304 0.01 . 1 . . . . 43 ALA CB . 26815 2 45 . 1 1 50 50 LEU HD11 H 1 0.664 0.005 . 2 . . . . 50 LEU MD1 . 26815 2 46 . 1 1 50 50 LEU HD12 H 1 0.664 0.005 . 2 . . . . 50 LEU MD1 . 26815 2 47 . 1 1 50 50 LEU HD13 H 1 0.664 0.005 . 2 . . . . 50 LEU MD1 . 26815 2 48 . 1 1 50 50 LEU HD21 H 1 0.588 0.005 . 2 . . . . 50 LEU MD2 . 26815 2 49 . 1 1 50 50 LEU HD22 H 1 0.588 0.005 . 2 . . . . 50 LEU MD2 . 26815 2 50 . 1 1 50 50 LEU HD23 H 1 0.588 0.005 . 2 . . . . 50 LEU MD2 . 26815 2 51 . 1 1 50 50 LEU CD1 C 13 22.740 0.01 . 2 . . . . 50 LEU CD1 . 26815 2 52 . 1 1 50 50 LEU CD2 C 13 25.729 0.01 . 2 . . . . 50 LEU CD2 . 26815 2 53 . 1 1 51 51 ILE HD11 H 1 0.679 0.005 . 1 . . . . 51 ILE HD1 . 26815 2 54 . 1 1 51 51 ILE HD12 H 1 0.679 0.005 . 1 . . . . 51 ILE HD1 . 26815 2 55 . 1 1 51 51 ILE HD13 H 1 0.679 0.005 . 1 . . . . 51 ILE HD1 . 26815 2 56 . 1 1 51 51 ILE CD1 C 13 13.770 0.01 . 1 . . . . 51 ILE CD1 . 26815 2 57 . 1 1 54 54 ALA HB1 H 1 1.342 0.005 . 1 . . . . 54 ALA MB . 26815 2 58 . 1 1 54 54 ALA HB2 H 1 1.342 0.005 . 1 . . . . 54 ALA MB . 26815 2 59 . 1 1 54 54 ALA HB3 H 1 1.342 0.005 . 1 . . . . 54 ALA MB . 26815 2 60 . 1 1 54 54 ALA CB C 13 19.010 0.01 . 1 . . . . 54 ALA CB . 26815 2 61 . 1 1 55 55 ALA HB1 H 1 1.151 0.005 . 1 . . . . 55 ALA MB . 26815 2 62 . 1 1 55 55 ALA HB2 H 1 1.151 0.005 . 1 . . . . 55 ALA MB . 26815 2 63 . 1 1 55 55 ALA HB3 H 1 1.151 0.005 . 1 . . . . 55 ALA MB . 26815 2 64 . 1 1 55 55 ALA CB C 13 19.580 0.01 . 1 . . . . 55 ALA CB . 26815 2 65 . 1 1 59 59 VAL HG11 H 1 1.022 0.005 . 2 . . . . 59 VAL MG1 . 26815 2 66 . 1 1 59 59 VAL HG12 H 1 1.022 0.005 . 2 . . . . 59 VAL MG1 . 26815 2 67 . 1 1 59 59 VAL HG13 H 1 1.022 0.005 . 2 . . . . 59 VAL MG1 . 26815 2 68 . 1 1 59 59 VAL HG21 H 1 1.202 0.005 . 2 . . . . 59 VAL MG2 . 26815 2 69 . 1 1 59 59 VAL HG22 H 1 1.202 0.005 . 2 . . . . 59 VAL MG2 . 26815 2 70 . 1 1 59 59 VAL HG23 H 1 1.202 0.005 . 2 . . . . 59 VAL MG2 . 26815 2 71 . 1 1 59 59 VAL CG1 C 13 20.372 0.01 . 2 . . . . 59 VAL CG1 . 26815 2 72 . 1 1 59 59 VAL CG2 C 13 22.802 0.01 . 2 . . . . 59 VAL CG2 . 26815 2 73 . 1 1 60 60 ALA HB1 H 1 1.385 0.005 . 1 . . . . 60 ALA MB . 26815 2 74 . 1 1 60 60 ALA HB2 H 1 1.385 0.005 . 1 . . . . 60 ALA MB . 26815 2 75 . 1 1 60 60 ALA HB3 H 1 1.385 0.005 . 1 . . . . 60 ALA MB . 26815 2 76 . 1 1 60 60 ALA CB C 13 18.557 0.01 . 1 . . . . 60 ALA CB . 26815 2 77 . 1 1 61 61 MET HE1 H 1 2.094 0.005 . 1 . . . . 61 MET ME . 26815 2 78 . 1 1 61 61 MET HE2 H 1 2.094 0.005 . 1 . . . . 61 MET ME . 26815 2 79 . 1 1 61 61 MET HE3 H 1 2.094 0.005 . 1 . . . . 61 MET ME . 26815 2 80 . 1 1 61 61 MET CE C 13 16.964 0.01 . 1 . . . . 61 MET CE . 26815 2 81 . 1 1 67 67 VAL HG11 H 1 0.342 0.005 . 2 . . . . 67 VAL MG1 . 26815 2 82 . 1 1 67 67 VAL HG12 H 1 0.342 0.005 . 2 . . . . 67 VAL MG1 . 26815 2 83 . 1 1 67 67 VAL HG13 H 1 0.342 0.005 . 2 . . . . 67 VAL MG1 . 26815 2 84 . 1 1 67 67 VAL HG21 H 1 -0.024 0.005 . 2 . . . . 67 VAL MG2 . 26815 2 85 . 1 1 67 67 VAL HG22 H 1 -0.024 0.005 . 2 . . . . 67 VAL MG2 . 26815 2 86 . 1 1 67 67 VAL HG23 H 1 -0.024 0.005 . 2 . . . . 67 VAL MG2 . 26815 2 87 . 1 1 67 67 VAL CG1 C 13 21.073 0.01 . 2 . . . . 67 VAL CG1 . 26815 2 88 . 1 1 67 67 VAL CG2 C 13 21.886 0.01 . 2 . . . . 67 VAL CG2 . 26815 2 89 . 1 1 70 70 ALA HB1 H 1 1.046 0.005 . 1 . . . . 70 ALA MB . 26815 2 90 . 1 1 70 70 ALA HB2 H 1 1.046 0.005 . 1 . . . . 70 ALA MB . 26815 2 91 . 1 1 70 70 ALA HB3 H 1 1.046 0.005 . 1 . . . . 70 ALA MB . 26815 2 92 . 1 1 70 70 ALA CB C 13 16.787 0.01 . 1 . . . . 70 ALA CB . 26815 2 93 . 1 1 73 73 LEU HD11 H 1 0.675 0.005 . 2 . . . . 73 LEU MD1 . 26815 2 94 . 1 1 73 73 LEU HD12 H 1 0.675 0.005 . 2 . . . . 73 LEU MD1 . 26815 2 95 . 1 1 73 73 LEU HD13 H 1 0.675 0.005 . 2 . . . . 73 LEU MD1 . 26815 2 96 . 1 1 73 73 LEU HD21 H 1 0.604 0.005 . 2 . . . . 73 LEU MD2 . 26815 2 97 . 1 1 73 73 LEU HD22 H 1 0.604 0.005 . 2 . . . . 73 LEU MD2 . 26815 2 98 . 1 1 73 73 LEU HD23 H 1 0.604 0.005 . 2 . . . . 73 LEU MD2 . 26815 2 99 . 1 1 73 73 LEU CD1 C 13 22.763 0.01 . 1 . . . . 73 LEU CD1 . 26815 2 100 . 1 1 73 73 LEU CD2 C 13 25.564 0.01 . 1 . . . . 73 LEU CD2 . 26815 2 101 . 1 1 74 74 ILE HD11 H 1 0.747 0.005 . 1 . . . . 74 ILE HD1 . 26815 2 102 . 1 1 74 74 ILE HD12 H 1 0.747 0.005 . 1 . . . . 74 ILE HD1 . 26815 2 103 . 1 1 74 74 ILE HD13 H 1 0.747 0.005 . 1 . . . . 74 ILE HD1 . 26815 2 104 . 1 1 74 74 ILE CD1 C 13 12.365 0.01 . 1 . . . . 74 ILE CD1 . 26815 2 105 . 1 1 81 81 ALA HB1 H 1 1.415 0.005 . 1 . . . . 81 ALA MB . 26815 2 106 . 1 1 81 81 ALA HB2 H 1 1.415 0.005 . 1 . . . . 81 ALA MB . 26815 2 107 . 1 1 81 81 ALA HB3 H 1 1.415 0.005 . 1 . . . . 81 ALA MB . 26815 2 108 . 1 1 81 81 ALA CB C 13 18.451 0.01 . 1 . . . . 81 ALA CB . 26815 2 109 . 1 1 82 82 VAL HG11 H 1 0.992 0.005 . 2 . . . . 82 VAL MG1 . 26815 2 110 . 1 1 82 82 VAL HG12 H 1 0.992 0.005 . 2 . . . . 82 VAL MG1 . 26815 2 111 . 1 1 82 82 VAL HG13 H 1 0.992 0.005 . 2 . . . . 82 VAL MG1 . 26815 2 112 . 1 1 82 82 VAL HG21 H 1 1.027 0.005 . 2 . . . . 82 VAL MG2 . 26815 2 113 . 1 1 82 82 VAL HG22 H 1 1.027 0.005 . 2 . . . . 82 VAL MG2 . 26815 2 114 . 1 1 82 82 VAL HG23 H 1 1.027 0.005 . 2 . . . . 82 VAL MG2 . 26815 2 115 . 1 1 82 82 VAL CG1 C 13 20.770 0.01 . 2 . . . . 82 VAL CG1 . 26815 2 116 . 1 1 82 82 VAL CG2 C 13 22.380 0.01 . 2 . . . . 82 VAL CG2 . 26815 2 117 . 1 1 83 83 VAL HG11 H 1 0.759 0.005 . 2 . . . . 83 VAL MG1 . 26815 2 118 . 1 1 83 83 VAL HG12 H 1 0.759 0.005 . 2 . . . . 83 VAL MG1 . 26815 2 119 . 1 1 83 83 VAL HG13 H 1 0.759 0.005 . 2 . . . . 83 VAL MG1 . 26815 2 120 . 1 1 83 83 VAL HG21 H 1 1.102 0.005 . 2 . . . . 83 VAL MG2 . 26815 2 121 . 1 1 83 83 VAL HG22 H 1 1.102 0.005 . 2 . . . . 83 VAL MG2 . 26815 2 122 . 1 1 83 83 VAL HG23 H 1 1.102 0.005 . 2 . . . . 83 VAL MG2 . 26815 2 123 . 1 1 83 83 VAL CG1 C 13 21.135 0.01 . 2 . . . . 83 VAL CG1 . 26815 2 124 . 1 1 83 83 VAL CG2 C 13 23.522 0.01 . 2 . . . . 83 VAL CG2 . 26815 2 125 . 1 1 87 87 MET HE1 H 1 1.958 0.005 . 1 . . . . 87 MET ME . 26815 2 126 . 1 1 87 87 MET HE2 H 1 1.958 0.005 . 1 . . . . 87 MET ME . 26815 2 127 . 1 1 87 87 MET HE3 H 1 1.958 0.005 . 1 . . . . 87 MET ME . 26815 2 128 . 1 1 87 87 MET CE C 13 16.602 0.01 . 1 . . . . 87 MET CE . 26815 2 129 . 1 1 93 93 MET HE1 H 1 2.037 0.005 . 1 . . . . 93 MET ME . 26815 2 130 . 1 1 93 93 MET HE2 H 1 2.037 0.005 . 1 . . . . 93 MET ME . 26815 2 131 . 1 1 93 93 MET HE3 H 1 2.037 0.005 . 1 . . . . 93 MET ME . 26815 2 132 . 1 1 93 93 MET CE C 13 16.695 0.01 . 1 . . . . 93 MET CE . 26815 2 133 . 1 1 94 94 VAL HG11 H 1 1.099 0.005 . 2 . . . . 94 VAL MG1 . 26815 2 134 . 1 1 94 94 VAL HG12 H 1 1.099 0.005 . 2 . . . . 94 VAL MG1 . 26815 2 135 . 1 1 94 94 VAL HG13 H 1 1.099 0.005 . 2 . . . . 94 VAL MG1 . 26815 2 136 . 1 1 94 94 VAL HG21 H 1 1.300 0.005 . 2 . . . . 94 VAL MG2 . 26815 2 137 . 1 1 94 94 VAL HG22 H 1 1.300 0.005 . 2 . . . . 94 VAL MG2 . 26815 2 138 . 1 1 94 94 VAL HG23 H 1 1.300 0.005 . 2 . . . . 94 VAL MG2 . 26815 2 139 . 1 1 94 94 VAL CG1 C 13 22.180 0.01 . 2 . . . . 94 VAL CG1 . 26815 2 140 . 1 1 94 94 VAL CG2 C 13 22.793 0.01 . 2 . . . . 94 VAL CG2 . 26815 2 141 . 1 1 95 95 VAL HG11 H 1 0.538 0.005 . 2 . . . . 95 VAL MG1 . 26815 2 142 . 1 1 95 95 VAL HG12 H 1 0.538 0.005 . 2 . . . . 95 VAL MG1 . 26815 2 143 . 1 1 95 95 VAL HG13 H 1 0.538 0.005 . 2 . . . . 95 VAL MG1 . 26815 2 144 . 1 1 95 95 VAL HG21 H 1 0.701 0.005 . 2 . . . . 95 VAL MG2 . 26815 2 145 . 1 1 95 95 VAL HG22 H 1 0.701 0.005 . 2 . . . . 95 VAL MG2 . 26815 2 146 . 1 1 95 95 VAL HG23 H 1 0.701 0.005 . 2 . . . . 95 VAL MG2 . 26815 2 147 . 1 1 95 95 VAL CG1 C 13 18.062 0.01 . 2 . . . . 95 VAL CG1 . 26815 2 148 . 1 1 95 95 VAL CG2 C 13 21.510 0.01 . 2 . . . . 95 VAL CG2 . 26815 2 149 . 1 1 98 98 ALA HB1 H 1 1.344 0.005 . 1 . . . . 98 ALA MB . 26815 2 150 . 1 1 98 98 ALA HB2 H 1 1.344 0.005 . 1 . . . . 98 ALA MB . 26815 2 151 . 1 1 98 98 ALA HB3 H 1 1.344 0.005 . 1 . . . . 98 ALA MB . 26815 2 152 . 1 1 98 98 ALA CB C 13 16.986 0.01 . 1 . . . . 98 ALA CB . 26815 2 153 . 1 1 103 103 VAL HG11 H 1 0.689 0.005 . 2 . . . . 103 VAL MG1 . 26815 2 154 . 1 1 103 103 VAL HG12 H 1 0.689 0.005 . 2 . . . . 103 VAL MG1 . 26815 2 155 . 1 1 103 103 VAL HG13 H 1 0.689 0.005 . 2 . . . . 103 VAL MG1 . 26815 2 156 . 1 1 103 103 VAL HG21 H 1 0.674 0.005 . 2 . . . . 103 VAL MG2 . 26815 2 157 . 1 1 103 103 VAL HG22 H 1 0.674 0.005 . 2 . . . . 103 VAL MG2 . 26815 2 158 . 1 1 103 103 VAL HG23 H 1 0.674 0.005 . 2 . . . . 103 VAL MG2 . 26815 2 159 . 1 1 103 103 VAL CG1 C 13 20.170 0.01 . 2 . . . . 103 VAL CG1 . 26815 2 160 . 1 1 103 103 VAL CG2 C 13 21.854 0.01 . 2 . . . . 103 VAL CG2 . 26815 2 161 . 1 1 105 105 VAL HG11 H 1 -0.079 0.005 . 2 . . . . 105 VAL MG1 . 26815 2 162 . 1 1 105 105 VAL HG12 H 1 -0.079 0.005 . 2 . . . . 105 VAL MG1 . 26815 2 163 . 1 1 105 105 VAL HG13 H 1 -0.079 0.005 . 2 . . . . 105 VAL MG1 . 26815 2 164 . 1 1 105 105 VAL HG21 H 1 0.766 0.005 . 2 . . . . 105 VAL MG2 . 26815 2 165 . 1 1 105 105 VAL HG22 H 1 0.766 0.005 . 2 . . . . 105 VAL MG2 . 26815 2 166 . 1 1 105 105 VAL HG23 H 1 0.766 0.005 . 2 . . . . 105 VAL MG2 . 26815 2 167 . 1 1 105 105 VAL CG1 C 13 16.333 0.01 . 2 . . . . 105 VAL CG1 . 26815 2 168 . 1 1 105 105 VAL CG2 C 13 21.443 0.01 . 2 . . . . 105 VAL CG2 . 26815 2 169 . 1 1 119 119 VAL HG11 H 1 0.654 0.005 . 2 . . . . 119 VAL MG1 . 26815 2 170 . 1 1 119 119 VAL HG12 H 1 0.654 0.005 . 2 . . . . 119 VAL MG1 . 26815 2 171 . 1 1 119 119 VAL HG13 H 1 0.654 0.005 . 2 . . . . 119 VAL MG1 . 26815 2 172 . 1 1 119 119 VAL CG1 C 13 21.448 0.01 . 2 . . . . 119 VAL CG1 . 26815 2 173 . 1 1 123 123 VAL HG11 H 1 0.707 0.005 . 2 . . . . 123 VAL MG1 . 26815 2 174 . 1 1 123 123 VAL HG12 H 1 0.707 0.005 . 2 . . . . 123 VAL MG1 . 26815 2 175 . 1 1 123 123 VAL HG13 H 1 0.707 0.005 . 2 . . . . 123 VAL MG1 . 26815 2 176 . 1 1 123 123 VAL CG1 C 13 21.854 0.01 . 2 . . . . 123 VAL CG1 . 26815 2 177 . 1 1 124 124 LEU HD11 H 1 0.728 0.005 . 2 . . . . 124 LEU MD1 . 26815 2 178 . 1 1 124 124 LEU HD12 H 1 0.728 0.005 . 2 . . . . 124 LEU MD1 . 26815 2 179 . 1 1 124 124 LEU HD13 H 1 0.728 0.005 . 2 . . . . 124 LEU MD1 . 26815 2 180 . 1 1 124 124 LEU HD21 H 1 0.560 0.005 . 2 . . . . 124 LEU MD2 . 26815 2 181 . 1 1 124 124 LEU HD22 H 1 0.560 0.005 . 2 . . . . 124 LEU MD2 . 26815 2 182 . 1 1 124 124 LEU HD23 H 1 0.560 0.005 . 2 . . . . 124 LEU MD2 . 26815 2 183 . 1 1 124 124 LEU CD1 C 13 22.904 0.01 . 2 . . . . 124 LEU CD1 . 26815 2 184 . 1 1 124 124 LEU CD2 C 13 25.556 0.01 . 2 . . . . 124 LEU CD2 . 26815 2 185 . 1 1 127 127 MET HE1 H 1 2.066 0.005 . 1 . . . . 127 MET ME . 26815 2 186 . 1 1 127 127 MET HE2 H 1 2.066 0.005 . 1 . . . . 127 MET ME . 26815 2 187 . 1 1 127 127 MET HE3 H 1 2.066 0.005 . 1 . . . . 127 MET ME . 26815 2 188 . 1 1 127 127 MET CE C 13 16.869 0.01 . 1 . . . . 127 MET CE . 26815 2 189 . 1 1 131 131 ALA HB1 H 1 1.313 0.005 . 1 . . . . 131 ALA MB . 26815 2 190 . 1 1 131 131 ALA HB2 H 1 1.313 0.005 . 1 . . . . 131 ALA MB . 26815 2 191 . 1 1 131 131 ALA HB3 H 1 1.313 0.005 . 1 . . . . 131 ALA MB . 26815 2 192 . 1 1 131 131 ALA CB C 13 17.863 0.01 . 1 . . . . 131 ALA CB . 26815 2 193 . 1 1 133 133 ALA HB1 H 1 1.513 0.005 . 1 . . . . 133 ALA MB . 26815 2 194 . 1 1 133 133 ALA HB2 H 1 1.513 0.005 . 1 . . . . 133 ALA MB . 26815 2 195 . 1 1 133 133 ALA HB3 H 1 1.513 0.005 . 1 . . . . 133 ALA MB . 26815 2 196 . 1 1 133 133 ALA CB C 13 17.984 0.01 . 1 . . . . 133 ALA CB . 26815 2 197 . 1 1 135 135 LEU HD11 H 1 0.842 0.005 . 2 . . . . 135 LEU MD1 . 26815 2 198 . 1 1 135 135 LEU HD12 H 1 0.842 0.005 . 2 . . . . 135 LEU MD1 . 26815 2 199 . 1 1 135 135 LEU HD13 H 1 0.842 0.005 . 2 . . . . 135 LEU MD1 . 26815 2 200 . 1 1 135 135 LEU HD21 H 1 0.718 0.005 . 2 . . . . 135 LEU MD2 . 26815 2 201 . 1 1 135 135 LEU HD22 H 1 0.718 0.005 . 2 . . . . 135 LEU MD2 . 26815 2 202 . 1 1 135 135 LEU HD23 H 1 0.718 0.005 . 2 . . . . 135 LEU MD2 . 26815 2 203 . 1 1 135 135 LEU CD1 C 13 23.623 0.01 . 2 . . . . 135 LEU CD1 . 26815 2 204 . 1 1 135 135 LEU CD2 C 13 25.838 0.01 . 2 . . . . 135 LEU CD2 . 26815 2 205 . 1 1 139 139 VAL HG11 H 1 0.819 0.005 . 2 . . . . 139 VAL MG1 . 26815 2 206 . 1 1 139 139 VAL HG12 H 1 0.819 0.005 . 2 . . . . 139 VAL MG1 . 26815 2 207 . 1 1 139 139 VAL HG13 H 1 0.819 0.005 . 2 . . . . 139 VAL MG1 . 26815 2 208 . 1 1 139 139 VAL HG21 H 1 0.872 0.005 . 2 . . . . 139 VAL MG2 . 26815 2 209 . 1 1 139 139 VAL HG22 H 1 0.872 0.005 . 2 . . . . 139 VAL MG2 . 26815 2 210 . 1 1 139 139 VAL HG23 H 1 0.872 0.005 . 2 . . . . 139 VAL MG2 . 26815 2 211 . 1 1 139 139 VAL CG1 C 13 21.648 0.01 . 2 . . . . 139 VAL CG1 . 26815 2 212 . 1 1 139 139 VAL CG2 C 13 21.740 0.01 . 2 . . . . 139 VAL CG2 . 26815 2 213 . 1 1 142 142 ALA HB1 H 1 1.021 0.005 . 1 . . . . 142 ALA MB . 26815 2 214 . 1 1 142 142 ALA HB2 H 1 1.021 0.005 . 1 . . . . 142 ALA MB . 26815 2 215 . 1 1 142 142 ALA HB3 H 1 1.021 0.005 . 1 . . . . 142 ALA MB . 26815 2 216 . 1 1 142 142 ALA CB C 13 24.104 0.01 . 1 . . . . 142 ALA CB . 26815 2 217 . 1 1 146 146 VAL HG11 H 1 0.478 0.005 . 2 . . . . 146 VAL MG1 . 26815 2 218 . 1 1 146 146 VAL HG12 H 1 0.478 0.005 . 2 . . . . 146 VAL MG1 . 26815 2 219 . 1 1 146 146 VAL HG13 H 1 0.478 0.005 . 2 . . . . 146 VAL MG1 . 26815 2 220 . 1 1 146 146 VAL HG21 H 1 0.894 0.005 . 2 . . . . 146 VAL MG2 . 26815 2 221 . 1 1 146 146 VAL HG22 H 1 0.894 0.005 . 2 . . . . 146 VAL MG2 . 26815 2 222 . 1 1 146 146 VAL HG23 H 1 0.894 0.005 . 2 . . . . 146 VAL MG2 . 26815 2 223 . 1 1 146 146 VAL CG1 C 13 17.789 0.01 . 2 . . . . 146 VAL CG1 . 26815 2 224 . 1 1 146 146 VAL CG2 C 13 23.672 0.01 . 2 . . . . 146 VAL CG2 . 26815 2 225 . 1 1 148 148 ALA HB1 H 1 1.286 0.005 . 1 . . . . 148 ALA MB . 26815 2 226 . 1 1 148 148 ALA HB2 H 1 1.286 0.005 . 1 . . . . 148 ALA MB . 26815 2 227 . 1 1 148 148 ALA HB3 H 1 1.286 0.005 . 1 . . . . 148 ALA MB . 26815 2 228 . 1 1 148 148 ALA CB C 13 17.429 0.01 . 1 . . . . 148 ALA CB . 26815 2 229 . 1 1 157 157 ALA HB1 H 1 1.417 0.005 . 1 . . . . 157 ALA MB . 26815 2 230 . 1 1 157 157 ALA HB2 H 1 1.417 0.005 . 1 . . . . 157 ALA MB . 26815 2 231 . 1 1 157 157 ALA HB3 H 1 1.417 0.005 . 1 . . . . 157 ALA MB . 26815 2 232 . 1 1 157 157 ALA CB C 13 19.696 0.01 . 1 . . . . 157 ALA CB . 26815 2 233 . 1 1 161 161 ALA HB1 H 1 1.355 0.005 . 1 . . . . 161 ALA MB . 26815 2 234 . 1 1 161 161 ALA HB2 H 1 1.355 0.005 . 1 . . . . 161 ALA MB . 26815 2 235 . 1 1 161 161 ALA HB3 H 1 1.355 0.005 . 1 . . . . 161 ALA MB . 26815 2 236 . 1 1 161 161 ALA CB C 13 18.183 0.01 . 1 . . . . 161 ALA CB . 26815 2 237 . 1 1 164 164 ILE HD11 H 1 0.726 0.005 . 1 . . . . 164 ILE HD1 . 26815 2 238 . 1 1 164 164 ILE HD12 H 1 0.726 0.005 . 1 . . . . 164 ILE HD1 . 26815 2 239 . 1 1 164 164 ILE HD13 H 1 0.726 0.005 . 1 . . . . 164 ILE HD1 . 26815 2 240 . 1 1 164 164 ILE CD1 C 13 13.410 0.01 . 1 . . . . 164 ILE CD1 . 26815 2 241 . 1 1 165 165 ALA HB1 H 1 1.521 0.005 . 1 . . . . 165 ALA MB . 26815 2 242 . 1 1 165 165 ALA HB2 H 1 1.521 0.005 . 1 . . . . 165 ALA MB . 26815 2 243 . 1 1 165 165 ALA HB3 H 1 1.521 0.005 . 1 . . . . 165 ALA MB . 26815 2 244 . 1 1 165 165 ALA CB C 13 19.600 0.01 . 1 . . . . 165 ALA CB . 26815 2 245 . 1 1 167 167 LEU HD11 H 1 0.481 0.005 . 2 . . . . 167 LEU MD1 . 26815 2 246 . 1 1 167 167 LEU HD12 H 1 0.481 0.005 . 2 . . . . 167 LEU MD1 . 26815 2 247 . 1 1 167 167 LEU HD13 H 1 0.481 0.005 . 2 . . . . 167 LEU MD1 . 26815 2 248 . 1 1 167 167 LEU HD21 H 1 0.718 0.005 . 2 . . . . 167 LEU MD2 . 26815 2 249 . 1 1 167 167 LEU HD22 H 1 0.718 0.005 . 2 . . . . 167 LEU MD2 . 26815 2 250 . 1 1 167 167 LEU HD23 H 1 0.718 0.005 . 2 . . . . 167 LEU MD2 . 26815 2 251 . 1 1 167 167 LEU CD1 C 13 22.693 0.01 . 2 . . . . 167 LEU CD1 . 26815 2 252 . 1 1 167 167 LEU CD2 C 13 25.916 0.01 . 2 . . . . 167 LEU CD2 . 26815 2 253 . 1 1 169 169 VAL HG11 H 1 0.853 0.005 . 2 . . . . 169 VAL MG1 . 26815 2 254 . 1 1 169 169 VAL HG12 H 1 0.853 0.005 . 2 . . . . 169 VAL MG1 . 26815 2 255 . 1 1 169 169 VAL HG13 H 1 0.853 0.005 . 2 . . . . 169 VAL MG1 . 26815 2 256 . 1 1 169 169 VAL HG21 H 1 0.717 0.005 . 2 . . . . 169 VAL MG2 . 26815 2 257 . 1 1 169 169 VAL HG22 H 1 0.717 0.005 . 2 . . . . 169 VAL MG2 . 26815 2 258 . 1 1 169 169 VAL HG23 H 1 0.717 0.005 . 2 . . . . 169 VAL MG2 . 26815 2 259 . 1 1 169 169 VAL CG1 C 13 21.286 0.01 . 2 . . . . 169 VAL CG1 . 26815 2 260 . 1 1 169 169 VAL CG2 C 13 21.940 0.01 . 2 . . . . 169 VAL CG2 . 26815 2 261 . 1 1 170 170 LEU HD11 H 1 0.722 0.005 . 2 . . . . 170 LEU MD1 . 26815 2 262 . 1 1 170 170 LEU HD12 H 1 0.722 0.005 . 2 . . . . 170 LEU MD1 . 26815 2 263 . 1 1 170 170 LEU HD13 H 1 0.722 0.005 . 2 . . . . 170 LEU MD1 . 26815 2 264 . 1 1 170 170 LEU HD21 H 1 0.951 0.005 . 2 . . . . 170 LEU MD2 . 26815 2 265 . 1 1 170 170 LEU HD22 H 1 0.951 0.005 . 2 . . . . 170 LEU MD2 . 26815 2 266 . 1 1 170 170 LEU HD23 H 1 0.951 0.005 . 2 . . . . 170 LEU MD2 . 26815 2 267 . 1 1 170 170 LEU CD1 C 13 22.070 0.01 . 2 . . . . 170 LEU CD1 . 26815 2 268 . 1 1 170 170 LEU CD2 C 13 26.510 0.01 . 2 . . . . 170 LEU CD2 . 26815 2 269 . 1 1 172 172 ILE HD11 H 1 0.641 0.005 . 1 . . . . 172 ILE HD1 . 26815 2 270 . 1 1 172 172 ILE HD12 H 1 0.641 0.005 . 1 . . . . 172 ILE HD1 . 26815 2 271 . 1 1 172 172 ILE HD13 H 1 0.641 0.005 . 1 . . . . 172 ILE HD1 . 26815 2 272 . 1 1 172 172 ILE CD1 C 13 12.012 0.01 . 1 . . . . 172 ILE CD1 . 26815 2 273 . 1 1 173 173 ILE HD11 H 1 0.491 0.005 . 1 . . . . 173 ILE HD1 . 26815 2 274 . 1 1 173 173 ILE HD12 H 1 0.491 0.005 . 1 . . . . 173 ILE HD1 . 26815 2 275 . 1 1 173 173 ILE HD13 H 1 0.491 0.005 . 1 . . . . 173 ILE HD1 . 26815 2 276 . 1 1 173 173 ILE CD1 C 13 13.660 0.01 . 1 . . . . 173 ILE CD1 . 26815 2 277 . 1 1 178 178 ALA HB1 H 1 1.520 0.005 . 1 . . . . 178 ALA MB . 26815 2 278 . 1 1 178 178 ALA HB2 H 1 1.520 0.005 . 1 . . . . 178 ALA MB . 26815 2 279 . 1 1 178 178 ALA HB3 H 1 1.520 0.005 . 1 . . . . 178 ALA MB . 26815 2 280 . 1 1 178 178 ALA CB C 13 18.382 0.01 . 1 . . . . 178 ALA CB . 26815 2 281 . 1 1 180 180 ALA HB1 H 1 1.365 0.005 . 1 . . . . 180 ALA MB . 26815 2 282 . 1 1 180 180 ALA HB2 H 1 1.365 0.005 . 1 . . . . 180 ALA MB . 26815 2 283 . 1 1 180 180 ALA HB3 H 1 1.365 0.005 . 1 . . . . 180 ALA MB . 26815 2 284 . 1 1 180 180 ALA CB C 13 18.576 0.01 . 1 . . . . 180 ALA CB . 26815 2 285 . 1 1 181 181 ILE HD11 H 1 0.502 0.005 . 1 . . . . 181 ILE HD1 . 26815 2 286 . 1 1 181 181 ILE HD12 H 1 0.502 0.005 . 1 . . . . 181 ILE HD1 . 26815 2 287 . 1 1 181 181 ILE HD13 H 1 0.502 0.005 . 1 . . . . 181 ILE HD1 . 26815 2 288 . 1 1 181 181 ILE CD1 C 13 13.802 0.01 . 1 . . . . 181 ILE CD1 . 26815 2 289 . 1 1 182 182 ALA HB1 H 1 1.136 0.005 . 1 . . . . 182 ALA MB . 26815 2 290 . 1 1 182 182 ALA HB2 H 1 1.136 0.005 . 1 . . . . 182 ALA MB . 26815 2 291 . 1 1 182 182 ALA HB3 H 1 1.136 0.005 . 1 . . . . 182 ALA MB . 26815 2 292 . 1 1 182 182 ALA CB C 13 18.050 0.01 . 1 . . . . 182 ALA CB . 26815 2 293 . 1 1 185 185 LEU HD11 H 1 0.646 0.005 . 2 . . . . 185 LEU MD1 . 26815 2 294 . 1 1 185 185 LEU HD12 H 1 0.646 0.005 . 2 . . . . 185 LEU MD1 . 26815 2 295 . 1 1 185 185 LEU HD13 H 1 0.646 0.005 . 2 . . . . 185 LEU MD1 . 26815 2 296 . 1 1 185 185 LEU HD21 H 1 0.681 0.005 . 2 . . . . 185 LEU MD2 . 26815 2 297 . 1 1 185 185 LEU HD22 H 1 0.681 0.005 . 2 . . . . 185 LEU MD2 . 26815 2 298 . 1 1 185 185 LEU HD23 H 1 0.681 0.005 . 2 . . . . 185 LEU MD2 . 26815 2 299 . 1 1 185 185 LEU CD1 C 13 21.260 0.01 . 2 . . . . 185 LEU CD1 . 26815 2 300 . 1 1 185 185 LEU CD2 C 13 26.233 0.01 . 2 . . . . 185 LEU CD2 . 26815 2 301 . 1 1 189 189 VAL HG11 H 1 0.852 0.005 . 2 . . . . 189 VAL MG1 . 26815 2 302 . 1 1 189 189 VAL HG12 H 1 0.852 0.005 . 2 . . . . 189 VAL MG1 . 26815 2 303 . 1 1 189 189 VAL HG13 H 1 0.852 0.005 . 2 . . . . 189 VAL MG1 . 26815 2 304 . 1 1 189 189 VAL HG21 H 1 0.847 0.005 . 2 . . . . 189 VAL MG2 . 26815 2 305 . 1 1 189 189 VAL HG22 H 1 0.847 0.005 . 2 . . . . 189 VAL MG2 . 26815 2 306 . 1 1 189 189 VAL HG23 H 1 0.847 0.005 . 2 . . . . 189 VAL MG2 . 26815 2 307 . 1 1 189 189 VAL CG1 C 13 19.933 0.01 . 2 . . . . 189 VAL CG1 . 26815 2 308 . 1 1 189 189 VAL CG2 C 13 21.143 0.01 . 2 . . . . 189 VAL CG2 . 26815 2 309 . 1 1 191 191 ALA HB1 H 1 1.333 0.005 . 1 . . . . 191 ALA MB . 26815 2 310 . 1 1 191 191 ALA HB2 H 1 1.333 0.005 . 1 . . . . 191 ALA MB . 26815 2 311 . 1 1 191 191 ALA HB3 H 1 1.333 0.005 . 1 . . . . 191 ALA MB . 26815 2 312 . 1 1 191 191 ALA CB C 13 19.950 0.01 . 1 . . . . 191 ALA CB . 26815 2 313 . 1 1 195 195 VAL HG11 H 1 0.912 0.005 . 2 . . . . 195 VAL MG1 . 26815 2 314 . 1 1 195 195 VAL HG12 H 1 0.912 0.005 . 2 . . . . 195 VAL MG1 . 26815 2 315 . 1 1 195 195 VAL HG13 H 1 0.912 0.005 . 2 . . . . 195 VAL MG1 . 26815 2 316 . 1 1 195 195 VAL HG21 H 1 0.677 0.005 . 2 . . . . 195 VAL MG2 . 26815 2 317 . 1 1 195 195 VAL HG22 H 1 0.677 0.005 . 2 . . . . 195 VAL MG2 . 26815 2 318 . 1 1 195 195 VAL HG23 H 1 0.677 0.005 . 2 . . . . 195 VAL MG2 . 26815 2 319 . 1 1 195 195 VAL CG1 C 13 21.158 0.01 . 2 . . . . 195 VAL CG1 . 26815 2 320 . 1 1 195 195 VAL CG2 C 13 21.832 0.01 . 2 . . . . 195 VAL CG2 . 26815 2 321 . 1 1 197 197 ILE HD11 H 1 0.545 0.005 . 1 . . . . 197 ILE HD1 . 26815 2 322 . 1 1 197 197 ILE HD12 H 1 0.545 0.005 . 1 . . . . 197 ILE HD1 . 26815 2 323 . 1 1 197 197 ILE HD13 H 1 0.545 0.005 . 1 . . . . 197 ILE HD1 . 26815 2 324 . 1 1 197 197 ILE CD1 C 13 11.733 0.01 . 1 . . . . 197 ILE CD1 . 26815 2 325 . 1 1 200 200 LEU HD11 H 1 0.671 0.005 . 2 . . . . 200 LEU MD1 . 26815 2 326 . 1 1 200 200 LEU HD12 H 1 0.671 0.005 . 2 . . . . 200 LEU MD1 . 26815 2 327 . 1 1 200 200 LEU HD13 H 1 0.671 0.005 . 2 . . . . 200 LEU MD1 . 26815 2 328 . 1 1 200 200 LEU HD21 H 1 0.802 0.005 . 2 . . . . 200 LEU MD2 . 26815 2 329 . 1 1 200 200 LEU HD22 H 1 0.802 0.005 . 2 . . . . 200 LEU MD2 . 26815 2 330 . 1 1 200 200 LEU HD23 H 1 0.802 0.005 . 2 . . . . 200 LEU MD2 . 26815 2 331 . 1 1 200 200 LEU CD1 C 13 23.631 0.01 . 2 . . . . 200 LEU CD1 . 26815 2 332 . 1 1 200 200 LEU CD2 C 13 26.421 0.01 . 2 . . . . 200 LEU CD2 . 26815 2 333 . 1 1 207 207 VAL HG11 H 1 0.690 0.005 . 2 . . . . 207 VAL MG1 . 26815 2 334 . 1 1 207 207 VAL HG12 H 1 0.690 0.005 . 2 . . . . 207 VAL MG1 . 26815 2 335 . 1 1 207 207 VAL HG13 H 1 0.690 0.005 . 2 . . . . 207 VAL MG1 . 26815 2 336 . 1 1 207 207 VAL HG21 H 1 0.271 0.005 . 2 . . . . 207 VAL MG2 . 26815 2 337 . 1 1 207 207 VAL HG22 H 1 0.271 0.005 . 2 . . . . 207 VAL MG2 . 26815 2 338 . 1 1 207 207 VAL HG23 H 1 0.271 0.005 . 2 . . . . 207 VAL MG2 . 26815 2 339 . 1 1 207 207 VAL CG1 C 13 22.376 0.01 . 2 . . . . 207 VAL CG1 . 26815 2 340 . 1 1 207 207 VAL CG2 C 13 23.363 0.01 . 2 . . . . 207 VAL CG2 . 26815 2 341 . 1 1 209 209 ILE HD11 H 1 0.641 0.005 . 1 . . . . 209 ILE HD1 . 26815 2 342 . 1 1 209 209 ILE HD12 H 1 0.641 0.005 . 1 . . . . 209 ILE HD1 . 26815 2 343 . 1 1 209 209 ILE HD13 H 1 0.641 0.005 . 1 . . . . 209 ILE HD1 . 26815 2 344 . 1 1 209 209 ILE CD1 C 13 12.904 0.01 . 1 . . . . 209 ILE CD1 . 26815 2 345 . 1 1 210 210 LEU HD11 H 1 0.706 0.005 . 2 . . . . 210 LEU MD1 . 26815 2 346 . 1 1 210 210 LEU HD12 H 1 0.706 0.005 . 2 . . . . 210 LEU MD1 . 26815 2 347 . 1 1 210 210 LEU HD13 H 1 0.706 0.005 . 2 . . . . 210 LEU MD1 . 26815 2 348 . 1 1 210 210 LEU HD21 H 1 0.649 0.005 . 2 . . . . 210 LEU MD2 . 26815 2 349 . 1 1 210 210 LEU HD22 H 1 0.649 0.005 . 2 . . . . 210 LEU MD2 . 26815 2 350 . 1 1 210 210 LEU HD23 H 1 0.649 0.005 . 2 . . . . 210 LEU MD2 . 26815 2 351 . 1 1 210 210 LEU CD1 C 13 24.999 0.01 . 2 . . . . 210 LEU CD1 . 26815 2 352 . 1 1 210 210 LEU CD2 C 13 25.924 0.01 . 2 . . . . 210 LEU CD2 . 26815 2 353 . 1 1 212 212 ILE HD11 H 1 0.324 0.005 . 1 . . . . 212 ILE HD1 . 26815 2 354 . 1 1 212 212 ILE HD12 H 1 0.324 0.005 . 1 . . . . 212 ILE HD1 . 26815 2 355 . 1 1 212 212 ILE HD13 H 1 0.324 0.005 . 1 . . . . 212 ILE HD1 . 26815 2 356 . 1 1 212 212 ILE CD1 C 13 15.015 0.01 . 1 . . . . 212 ILE CD1 . 26815 2 357 . 1 1 216 216 ILE HD11 H 1 0.784 0.005 . 1 . . . . 216 ILE HD1 . 26815 2 358 . 1 1 216 216 ILE HD12 H 1 0.784 0.005 . 1 . . . . 216 ILE HD1 . 26815 2 359 . 1 1 216 216 ILE HD13 H 1 0.784 0.005 . 1 . . . . 216 ILE HD1 . 26815 2 360 . 1 1 216 216 ILE CD1 C 13 11.396 0.01 . 1 . . . . 216 ILE CD1 . 26815 2 361 . 1 1 219 219 VAL HG11 H 1 0.837 0.005 . 2 . . . . 219 VAL MG1 . 26815 2 362 . 1 1 219 219 VAL HG12 H 1 0.837 0.005 . 2 . . . . 219 VAL MG1 . 26815 2 363 . 1 1 219 219 VAL HG13 H 1 0.837 0.005 . 2 . . . . 219 VAL MG1 . 26815 2 364 . 1 1 219 219 VAL HG21 H 1 0.734 0.005 . 2 . . . . 219 VAL MG2 . 26815 2 365 . 1 1 219 219 VAL HG22 H 1 0.734 0.005 . 2 . . . . 219 VAL MG2 . 26815 2 366 . 1 1 219 219 VAL HG23 H 1 0.734 0.005 . 2 . . . . 219 VAL MG2 . 26815 2 367 . 1 1 219 219 VAL CG1 C 13 20.395 0.01 . 2 . . . . 219 VAL CG1 . 26815 2 368 . 1 1 219 219 VAL CG2 C 13 21.696 0.01 . 2 . . . . 219 VAL CG2 . 26815 2 369 . 1 1 223 223 ALA HB1 H 1 1.370 0.005 . 1 . . . . 223 ALA MB . 26815 2 370 . 1 1 223 223 ALA HB2 H 1 1.370 0.005 . 1 . . . . 223 ALA MB . 26815 2 371 . 1 1 223 223 ALA HB3 H 1 1.370 0.005 . 1 . . . . 223 ALA MB . 26815 2 372 . 1 1 223 223 ALA CB C 13 23.403 0.01 . 1 . . . . 223 ALA CB . 26815 2 373 . 1 1 228 228 LEU HD11 H 1 0.853 0.005 . 2 . . . . 228 LEU MD1 . 26815 2 374 . 1 1 228 228 LEU HD12 H 1 0.853 0.005 . 2 . . . . 228 LEU MD1 . 26815 2 375 . 1 1 228 228 LEU HD13 H 1 0.853 0.005 . 2 . . . . 228 LEU MD1 . 26815 2 376 . 1 1 228 228 LEU HD21 H 1 0.706 0.005 . 2 . . . . 228 LEU MD2 . 26815 2 377 . 1 1 228 228 LEU HD22 H 1 0.706 0.005 . 2 . . . . 228 LEU MD2 . 26815 2 378 . 1 1 228 228 LEU HD23 H 1 0.706 0.005 . 2 . . . . 228 LEU MD2 . 26815 2 379 . 1 1 228 228 LEU CD1 C 13 23.750 0.01 . 2 . . . . 228 LEU CD1 . 26815 2 380 . 1 1 228 228 LEU CD2 C 13 25.763 0.01 . 2 . . . . 228 LEU CD2 . 26815 2 381 . 1 1 237 237 MET HE1 H 1 2.106 0.005 . 1 . . . . 237 MET ME . 26815 2 382 . 1 1 237 237 MET HE2 H 1 2.106 0.005 . 1 . . . . 237 MET ME . 26815 2 383 . 1 1 237 237 MET HE3 H 1 2.106 0.005 . 1 . . . . 237 MET ME . 26815 2 384 . 1 1 237 237 MET CE C 13 17.175 0.01 . 1 . . . . 237 MET CE . 26815 2 385 . 1 1 238 238 VAL HG11 H 1 0.975 0.005 . 2 . . . . 238 VAL MG1 . 26815 2 386 . 1 1 238 238 VAL HG12 H 1 0.975 0.005 . 2 . . . . 238 VAL MG1 . 26815 2 387 . 1 1 238 238 VAL HG13 H 1 0.975 0.005 . 2 . . . . 238 VAL MG1 . 26815 2 388 . 1 1 238 238 VAL HG21 H 1 1.114 0.005 . 2 . . . . 238 VAL MG2 . 26815 2 389 . 1 1 238 238 VAL HG22 H 1 1.114 0.005 . 2 . . . . 238 VAL MG2 . 26815 2 390 . 1 1 238 238 VAL HG23 H 1 1.114 0.005 . 2 . . . . 238 VAL MG2 . 26815 2 391 . 1 1 238 238 VAL CG1 C 13 21.747 0.01 . 2 . . . . 238 VAL CG1 . 26815 2 392 . 1 1 238 238 VAL CG2 C 13 24.113 0.01 . 2 . . . . 238 VAL CG2 . 26815 2 393 . 1 1 242 242 ILE HD11 H 1 0.748 0.005 . 1 . . . . 242 ILE HD1 . 26815 2 394 . 1 1 242 242 ILE HD12 H 1 0.748 0.005 . 1 . . . . 242 ILE HD1 . 26815 2 395 . 1 1 242 242 ILE HD13 H 1 0.748 0.005 . 1 . . . . 242 ILE HD1 . 26815 2 396 . 1 1 242 242 ILE CD1 C 13 14.044 0.01 . 1 . . . . 242 ILE CD1 . 26815 2 397 . 1 1 243 243 ALA HB1 H 1 1.511 0.005 . 1 . . . . 243 ALA MB . 26815 2 398 . 1 1 243 243 ALA HB2 H 1 1.511 0.005 . 1 . . . . 243 ALA MB . 26815 2 399 . 1 1 243 243 ALA HB3 H 1 1.511 0.005 . 1 . . . . 243 ALA MB . 26815 2 400 . 1 1 243 243 ALA CB C 13 17.392 0.01 . 1 . . . . 243 ALA CB . 26815 2 401 . 1 1 253 253 ILE HD11 H 1 0.105 0.005 . 1 . . . . 253 ILE HD1 . 26815 2 402 . 1 1 253 253 ILE HD12 H 1 0.105 0.005 . 1 . . . . 253 ILE HD1 . 26815 2 403 . 1 1 253 253 ILE HD13 H 1 0.105 0.005 . 1 . . . . 253 ILE HD1 . 26815 2 404 . 1 1 253 253 ILE CD1 C 13 13.535 0.01 . 1 . . . . 253 ILE CD1 . 26815 2 405 . 1 1 259 259 ALA HB1 H 1 1.438 0.005 . 1 . . . . 259 ALA MB . 26815 2 406 . 1 1 259 259 ALA HB2 H 1 1.438 0.005 . 1 . . . . 259 ALA MB . 26815 2 407 . 1 1 259 259 ALA HB3 H 1 1.438 0.005 . 1 . . . . 259 ALA MB . 26815 2 408 . 1 1 259 259 ALA CB C 13 18.220 0.01 . 1 . . . . 259 ALA CB . 26815 2 409 . 1 1 260 260 VAL HG11 H 1 0.905 0.005 . 2 . . . . 260 VAL MG1 . 26815 2 410 . 1 1 260 260 VAL HG12 H 1 0.905 0.005 . 2 . . . . 260 VAL MG1 . 26815 2 411 . 1 1 260 260 VAL HG13 H 1 0.905 0.005 . 2 . . . . 260 VAL MG1 . 26815 2 412 . 1 1 260 260 VAL HG21 H 1 0.908 0.005 . 2 . . . . 260 VAL MG2 . 26815 2 413 . 1 1 260 260 VAL HG22 H 1 0.908 0.005 . 2 . . . . 260 VAL MG2 . 26815 2 414 . 1 1 260 260 VAL HG23 H 1 0.908 0.005 . 2 . . . . 260 VAL MG2 . 26815 2 415 . 1 1 260 260 VAL CG1 C 13 21.689 0.01 . 2 . . . . 260 VAL CG1 . 26815 2 416 . 1 1 260 260 VAL CG2 C 13 23.703 0.01 . 2 . . . . 260 VAL CG2 . 26815 2 417 . 1 1 263 263 LEU HD11 H 1 0.905 0.005 . 2 . . . . 263 LEU MD1 . 26815 2 418 . 1 1 263 263 LEU HD12 H 1 0.905 0.005 . 2 . . . . 263 LEU MD1 . 26815 2 419 . 1 1 263 263 LEU HD13 H 1 0.905 0.005 . 2 . . . . 263 LEU MD1 . 26815 2 420 . 1 1 263 263 LEU HD21 H 1 0.908 0.005 . 2 . . . . 263 LEU MD2 . 26815 2 421 . 1 1 263 263 LEU HD22 H 1 0.908 0.005 . 2 . . . . 263 LEU MD2 . 26815 2 422 . 1 1 263 263 LEU HD23 H 1 0.908 0.005 . 2 . . . . 263 LEU MD2 . 26815 2 423 . 1 1 263 263 LEU CD1 C 13 21.689 0.01 . 2 . . . . 263 LEU CD1 . 26815 2 424 . 1 1 263 263 LEU CD2 C 13 23.703 0.01 . 2 . . . . 263 LEU CD2 . 26815 2 425 . 1 1 266 266 ALA HB1 H 1 1.504 0.005 . 1 . . . . 266 ALA MB . 26815 2 426 . 1 1 266 266 ALA HB2 H 1 1.504 0.005 . 1 . . . . 266 ALA MB . 26815 2 427 . 1 1 266 266 ALA HB3 H 1 1.504 0.005 . 1 . . . . 266 ALA MB . 26815 2 428 . 1 1 266 266 ALA CB C 13 18.659 0.01 . 1 . . . . 266 ALA CB . 26815 2 429 . 1 1 270 270 ALA HB1 H 1 1.195 0.005 . 1 . . . . 270 ALA MB . 26815 2 430 . 1 1 270 270 ALA HB2 H 1 1.195 0.005 . 1 . . . . 270 ALA MB . 26815 2 431 . 1 1 270 270 ALA HB3 H 1 1.195 0.005 . 1 . . . . 270 ALA MB . 26815 2 432 . 1 1 270 270 ALA CB C 13 18.005 0.01 . 1 . . . . 270 ALA CB . 26815 2 433 . 1 1 274 274 LEU HD11 H 1 0.449 0.005 . 2 . . . . 274 LEU MD1 . 26815 2 434 . 1 1 274 274 LEU HD12 H 1 0.449 0.005 . 2 . . . . 274 LEU MD1 . 26815 2 435 . 1 1 274 274 LEU HD13 H 1 0.449 0.005 . 2 . . . . 274 LEU MD1 . 26815 2 436 . 1 1 274 274 LEU HD21 H 1 0.343 0.005 . 2 . . . . 274 LEU MD2 . 26815 2 437 . 1 1 274 274 LEU HD22 H 1 0.343 0.005 . 2 . . . . 274 LEU MD2 . 26815 2 438 . 1 1 274 274 LEU HD23 H 1 0.343 0.005 . 2 . . . . 274 LEU MD2 . 26815 2 439 . 1 1 274 274 LEU CD1 C 13 21.995 0.01 . 2 . . . . 274 LEU CD1 . 26815 2 440 . 1 1 274 274 LEU CD2 C 13 25.941 0.01 . 2 . . . . 274 LEU CD2 . 26815 2 441 . 1 1 280 280 ALA HB1 H 1 1.189 0.005 . 1 . . . . 280 ALA MB . 26815 2 442 . 1 1 280 280 ALA HB2 H 1 1.189 0.005 . 1 . . . . 280 ALA MB . 26815 2 443 . 1 1 280 280 ALA HB3 H 1 1.189 0.005 . 1 . . . . 280 ALA MB . 26815 2 444 . 1 1 280 280 ALA CB C 13 23.222 0.01 . 1 . . . . 280 ALA CB . 26815 2 445 . 1 1 282 282 ILE HD11 H 1 0.313 0.005 . 1 . . . . 282 ILE HD1 . 26815 2 446 . 1 1 282 282 ILE HD12 H 1 0.313 0.005 . 1 . . . . 282 ILE HD1 . 26815 2 447 . 1 1 282 282 ILE HD13 H 1 0.313 0.005 . 1 . . . . 282 ILE HD1 . 26815 2 448 . 1 1 282 282 ILE CD1 C 13 13.228 0.01 . 1 . . . . 282 ILE CD1 . 26815 2 449 . 1 1 284 284 ILE HD11 H 1 0.726 0.005 . 1 . . . . 284 ILE HD1 . 26815 2 450 . 1 1 284 284 ILE HD12 H 1 0.726 0.005 . 1 . . . . 284 ILE HD1 . 26815 2 451 . 1 1 284 284 ILE HD13 H 1 0.726 0.005 . 1 . . . . 284 ILE HD1 . 26815 2 452 . 1 1 284 284 ILE CD1 C 13 15.849 0.01 . 1 . . . . 284 ILE CD1 . 26815 2 453 . 1 1 291 291 ILE HD11 H 1 0.774 0.005 . 1 . . . . 291 ILE HD1 . 26815 2 454 . 1 1 291 291 ILE HD12 H 1 0.774 0.005 . 1 . . . . 291 ILE HD1 . 26815 2 455 . 1 1 291 291 ILE HD13 H 1 0.774 0.005 . 1 . . . . 291 ILE HD1 . 26815 2 456 . 1 1 291 291 ILE CD1 C 13 13.303 0.01 . 1 . . . . 291 ILE CD1 . 26815 2 457 . 1 1 297 297 ILE HD11 H 1 0.443 0.005 . 1 . . . . 297 ILE HD1 . 26815 2 458 . 1 1 297 297 ILE HD12 H 1 0.443 0.005 . 1 . . . . 297 ILE HD1 . 26815 2 459 . 1 1 297 297 ILE HD13 H 1 0.443 0.005 . 1 . . . . 297 ILE HD1 . 26815 2 460 . 1 1 297 297 ILE CD1 C 13 13.039 0.01 . 1 . . . . 297 ILE CD1 . 26815 2 461 . 1 1 300 300 ALA HB1 H 1 1.419 0.005 . 1 . . . . 300 ALA MB . 26815 2 462 . 1 1 300 300 ALA HB2 H 1 1.419 0.005 . 1 . . . . 300 ALA MB . 26815 2 463 . 1 1 300 300 ALA HB3 H 1 1.419 0.005 . 1 . . . . 300 ALA MB . 26815 2 464 . 1 1 300 300 ALA CB C 13 18.019 0.01 . 1 . . . . 300 ALA CB . 26815 2 465 . 1 1 305 305 LEU HD11 H 1 0.680 0.005 . 2 . . . . 305 LEU MD1 . 26815 2 466 . 1 1 305 305 LEU HD12 H 1 0.680 0.005 . 2 . . . . 305 LEU MD1 . 26815 2 467 . 1 1 305 305 LEU HD13 H 1 0.680 0.005 . 2 . . . . 305 LEU MD1 . 26815 2 468 . 1 1 305 305 LEU HD21 H 1 0.313 0.005 . 2 . . . . 305 LEU MD2 . 26815 2 469 . 1 1 305 305 LEU HD22 H 1 0.313 0.005 . 2 . . . . 305 LEU MD2 . 26815 2 470 . 1 1 305 305 LEU HD23 H 1 0.313 0.005 . 2 . . . . 305 LEU MD2 . 26815 2 471 . 1 1 305 305 LEU CD1 C 13 22.229 0.01 . 2 . . . . 305 LEU CD1 . 26815 2 472 . 1 1 305 305 LEU CD2 C 13 25.352 0.01 . 2 . . . . 305 LEU CD2 . 26815 2 473 . 1 1 307 307 ALA HB1 H 1 1.470 0.005 . 1 . . . . 307 ALA MB . 26815 2 474 . 1 1 307 307 ALA HB2 H 1 1.470 0.005 . 1 . . . . 307 ALA MB . 26815 2 475 . 1 1 307 307 ALA HB3 H 1 1.470 0.005 . 1 . . . . 307 ALA MB . 26815 2 476 . 1 1 307 307 ALA CB C 13 19.207 0.01 . 1 . . . . 307 ALA CB . 26815 2 477 . 1 1 309 309 LEU HD11 H 1 0.780 0.005 . 2 . . . . 309 LEU MD1 . 26815 2 478 . 1 1 309 309 LEU HD12 H 1 0.780 0.005 . 2 . . . . 309 LEU MD1 . 26815 2 479 . 1 1 309 309 LEU HD13 H 1 0.780 0.005 . 2 . . . . 309 LEU MD1 . 26815 2 480 . 1 1 309 309 LEU HD21 H 1 0.984 0.005 . 2 . . . . 309 LEU MD2 . 26815 2 481 . 1 1 309 309 LEU HD22 H 1 0.984 0.005 . 2 . . . . 309 LEU MD2 . 26815 2 482 . 1 1 309 309 LEU HD23 H 1 0.984 0.005 . 2 . . . . 309 LEU MD2 . 26815 2 483 . 1 1 309 309 LEU CD1 C 13 21.770 0.01 . 2 . . . . 309 LEU CD1 . 26815 2 484 . 1 1 309 309 LEU CD2 C 13 25.385 0.01 . 2 . . . . 309 LEU CD2 . 26815 2 485 . 1 1 314 314 LEU HD11 H 1 0.820 0.005 . 2 . . . . 314 LEU MD1 . 26815 2 486 . 1 1 314 314 LEU HD12 H 1 0.820 0.005 . 2 . . . . 314 LEU MD1 . 26815 2 487 . 1 1 314 314 LEU HD13 H 1 0.820 0.005 . 2 . . . . 314 LEU MD1 . 26815 2 488 . 1 1 314 314 LEU HD21 H 1 0.422 0.005 . 2 . . . . 314 LEU MD2 . 26815 2 489 . 1 1 314 314 LEU HD22 H 1 0.422 0.005 . 2 . . . . 314 LEU MD2 . 26815 2 490 . 1 1 314 314 LEU HD23 H 1 0.422 0.005 . 2 . . . . 314 LEU MD2 . 26815 2 491 . 1 1 314 314 LEU CD1 C 13 25.156 0.01 . 2 . . . . 314 LEU CD1 . 26815 2 492 . 1 1 314 314 LEU CD2 C 13 21.280 0.01 . 2 . . . . 314 LEU CD2 . 26815 2 493 . 1 1 317 317 VAL HG11 H 1 0.689 0.005 . 1 . . . . 317 VAL MG1 . 26815 2 494 . 1 1 317 317 VAL HG12 H 1 0.689 0.005 . 1 . . . . 317 VAL MG1 . 26815 2 495 . 1 1 317 317 VAL HG13 H 1 0.689 0.005 . 1 . . . . 317 VAL MG1 . 26815 2 496 . 1 1 317 317 VAL CG1 C 13 23.580 0.01 . 1 . . . . 317 VAL CG1 . 26815 2 497 . 1 1 320 320 ALA HB1 H 1 1.207 0.005 . 1 . . . . 320 ALA MB . 26815 2 498 . 1 1 320 320 ALA HB2 H 1 1.207 0.005 . 1 . . . . 320 ALA MB . 26815 2 499 . 1 1 320 320 ALA HB3 H 1 1.207 0.005 . 1 . . . . 320 ALA MB . 26815 2 500 . 1 1 320 320 ALA CB C 13 16.910 0.01 . 1 . . . . 320 ALA CB . 26815 2 501 . 1 1 321 321 LEU HD11 H 1 0.689 0.005 . 2 . . . . 321 LEU MD1 . 26815 2 502 . 1 1 321 321 LEU HD12 H 1 0.689 0.005 . 2 . . . . 321 LEU MD1 . 26815 2 503 . 1 1 321 321 LEU HD13 H 1 0.689 0.005 . 2 . . . . 321 LEU MD1 . 26815 2 504 . 1 1 321 321 LEU HD21 H 1 0.682 0.005 . 2 . . . . 321 LEU MD2 . 26815 2 505 . 1 1 321 321 LEU HD22 H 1 0.682 0.005 . 2 . . . . 321 LEU MD2 . 26815 2 506 . 1 1 321 321 LEU HD23 H 1 0.682 0.005 . 2 . . . . 321 LEU MD2 . 26815 2 507 . 1 1 321 321 LEU CD1 C 13 23.580 0.01 . 2 . . . . 321 LEU CD1 . 26815 2 508 . 1 1 321 321 LEU CD2 C 13 23.657 0.01 . 2 . . . . 321 LEU CD2 . 26815 2 509 . 1 1 324 324 ALA HB1 H 1 1.334 0.005 . 1 . . . . 324 ALA MB . 26815 2 510 . 1 1 324 324 ALA HB2 H 1 1.334 0.005 . 1 . . . . 324 ALA MB . 26815 2 511 . 1 1 324 324 ALA HB3 H 1 1.334 0.005 . 1 . . . . 324 ALA MB . 26815 2 512 . 1 1 324 324 ALA CB C 13 19.158 0.01 . 1 . . . . 324 ALA CB . 26815 2 513 . 1 1 326 326 LEU HD11 H 1 0.732 0.005 . 2 . . . . 326 LEU MD1 . 26815 2 514 . 1 1 326 326 LEU HD12 H 1 0.732 0.005 . 2 . . . . 326 LEU MD1 . 26815 2 515 . 1 1 326 326 LEU HD13 H 1 0.732 0.005 . 2 . . . . 326 LEU MD1 . 26815 2 516 . 1 1 326 326 LEU HD21 H 1 0.542 0.005 . 2 . . . . 326 LEU MD2 . 26815 2 517 . 1 1 326 326 LEU HD22 H 1 0.542 0.005 . 2 . . . . 326 LEU MD2 . 26815 2 518 . 1 1 326 326 LEU HD23 H 1 0.542 0.005 . 2 . . . . 326 LEU MD2 . 26815 2 519 . 1 1 326 326 LEU CD1 C 13 22.991 0.01 . 2 . . . . 326 LEU CD1 . 26815 2 520 . 1 1 326 326 LEU CD2 C 13 26.366 0.01 . 2 . . . . 326 LEU CD2 . 26815 2 521 . 1 1 331 331 ILE HD11 H 1 0.466 0.005 . 1 . . . . 331 ILE HD1 . 26815 2 522 . 1 1 331 331 ILE HD12 H 1 0.466 0.005 . 1 . . . . 331 ILE HD1 . 26815 2 523 . 1 1 331 331 ILE HD13 H 1 0.466 0.005 . 1 . . . . 331 ILE HD1 . 26815 2 524 . 1 1 331 331 ILE CD1 C 13 8.569 0.01 . 1 . . . . 331 ILE CD1 . 26815 2 525 . 1 1 334 334 ILE HD11 H 1 -0.145 0.005 . 1 . . . . 334 ILE HD1 . 26815 2 526 . 1 1 334 334 ILE HD12 H 1 -0.145 0.005 . 1 . . . . 334 ILE HD1 . 26815 2 527 . 1 1 334 334 ILE HD13 H 1 -0.145 0.005 . 1 . . . . 334 ILE HD1 . 26815 2 528 . 1 1 334 334 ILE CD1 C 13 14.413 0.01 . 1 . . . . 334 ILE CD1 . 26815 2 529 . 1 1 336 336 LEU HD11 H 1 0.730 0.005 . 2 . . . . 336 LEU MD1 . 26815 2 530 . 1 1 336 336 LEU HD12 H 1 0.730 0.005 . 2 . . . . 336 LEU MD1 . 26815 2 531 . 1 1 336 336 LEU HD13 H 1 0.730 0.005 . 2 . . . . 336 LEU MD1 . 26815 2 532 . 1 1 336 336 LEU CD1 C 13 23.509 0.01 . 2 . . . . 336 LEU CD1 . 26815 2 533 . 1 1 337 337 VAL HG11 H 1 0.709 0.005 . 2 . . . . 337 VAL MG1 . 26815 2 534 . 1 1 337 337 VAL HG12 H 1 0.709 0.005 . 2 . . . . 337 VAL MG1 . 26815 2 535 . 1 1 337 337 VAL HG13 H 1 0.709 0.005 . 2 . . . . 337 VAL MG1 . 26815 2 536 . 1 1 337 337 VAL CG1 C 13 24.437 0.01 . 2 . . . . 337 VAL CG1 . 26815 2 537 . 1 1 343 343 ILE HD11 H 1 1.274 0.005 . 1 . . . . 343 ILE HD1 . 26815 2 538 . 1 1 343 343 ILE HD12 H 1 1.274 0.005 . 1 . . . . 343 ILE HD1 . 26815 2 539 . 1 1 343 343 ILE HD13 H 1 1.274 0.005 . 1 . . . . 343 ILE HD1 . 26815 2 540 . 1 1 343 343 ILE CD1 C 13 14.326 0.01 . 1 . . . . 343 ILE CD1 . 26815 2 541 . 1 1 346 346 ILE HD11 H 1 0.335 0.005 . 1 . . . . 346 ILE HD1 . 26815 2 542 . 1 1 346 346 ILE HD12 H 1 0.335 0.005 . 1 . . . . 346 ILE HD1 . 26815 2 543 . 1 1 346 346 ILE HD13 H 1 0.335 0.005 . 1 . . . . 346 ILE HD1 . 26815 2 544 . 1 1 346 346 ILE CD1 C 13 10.738 0.01 . 1 . . . . 346 ILE CD1 . 26815 2 545 . 1 1 349 349 LEU HD11 H 1 0.681 0.005 . 2 . . . . 349 LEU MD1 . 26815 2 546 . 1 1 349 349 LEU HD12 H 1 0.681 0.005 . 2 . . . . 349 LEU MD1 . 26815 2 547 . 1 1 349 349 LEU HD13 H 1 0.681 0.005 . 2 . . . . 349 LEU MD1 . 26815 2 548 . 1 1 349 349 LEU HD21 H 1 0.822 0.005 . 2 . . . . 349 LEU MD2 . 26815 2 549 . 1 1 349 349 LEU HD22 H 1 0.822 0.005 . 2 . . . . 349 LEU MD2 . 26815 2 550 . 1 1 349 349 LEU HD23 H 1 0.822 0.005 . 2 . . . . 349 LEU MD2 . 26815 2 551 . 1 1 349 349 LEU CD1 C 13 23.642 0.01 . 2 . . . . 349 LEU CD1 . 26815 2 552 . 1 1 349 349 LEU CD2 C 13 26.417 0.01 . 2 . . . . 349 LEU CD2 . 26815 2 553 . 1 1 350 350 LEU HD11 H 1 0.534 0.005 . 2 . . . . 350 LEU MD1 . 26815 2 554 . 1 1 350 350 LEU HD12 H 1 0.534 0.005 . 2 . . . . 350 LEU MD1 . 26815 2 555 . 1 1 350 350 LEU HD13 H 1 0.534 0.005 . 2 . . . . 350 LEU MD1 . 26815 2 556 . 1 1 350 350 LEU HD21 H 1 0.015 0.005 . 2 . . . . 350 LEU MD2 . 26815 2 557 . 1 1 350 350 LEU HD22 H 1 0.015 0.005 . 2 . . . . 350 LEU MD2 . 26815 2 558 . 1 1 350 350 LEU HD23 H 1 0.015 0.005 . 2 . . . . 350 LEU MD2 . 26815 2 559 . 1 1 350 350 LEU CD1 C 13 23.493 0.01 . 2 . . . . 350 LEU CD1 . 26815 2 560 . 1 1 350 350 LEU CD2 C 13 25.010 0.01 . 2 . . . . 350 LEU CD2 . 26815 2 561 . 1 1 359 359 LEU HD11 H 1 0.488 0.005 . 2 . . . . 359 LEU MD1 . 26815 2 562 . 1 1 359 359 LEU HD12 H 1 0.488 0.005 . 2 . . . . 359 LEU MD1 . 26815 2 563 . 1 1 359 359 LEU HD13 H 1 0.488 0.005 . 2 . . . . 359 LEU MD1 . 26815 2 564 . 1 1 359 359 LEU HD21 H 1 0.805 0.005 . 2 . . . . 359 LEU MD2 . 26815 2 565 . 1 1 359 359 LEU HD22 H 1 0.805 0.005 . 2 . . . . 359 LEU MD2 . 26815 2 566 . 1 1 359 359 LEU HD23 H 1 0.805 0.005 . 2 . . . . 359 LEU MD2 . 26815 2 567 . 1 1 359 359 LEU CD1 C 13 22.237 0.01 . 2 . . . . 359 LEU CD1 . 26815 2 568 . 1 1 359 359 LEU CD2 C 13 26.421 0.01 . 2 . . . . 359 LEU CD2 . 26815 2 569 . 1 1 363 363 ILE HD11 H 1 -0.864 0.005 . 1 . . . . 363 ILE HD1 . 26815 2 570 . 1 1 363 363 ILE HD12 H 1 -0.864 0.005 . 1 . . . . 363 ILE HD1 . 26815 2 571 . 1 1 363 363 ILE HD13 H 1 -0.864 0.005 . 1 . . . . 363 ILE HD1 . 26815 2 572 . 1 1 363 363 ILE CD1 C 13 11.353 0.01 . 1 . . . . 363 ILE CD1 . 26815 2 573 . 1 1 368 368 ALA CB C 13 21.005 0.01 . 1 . . . . 368 ALA CB . 26815 2 574 . 1 1 369 369 VAL HG11 H 1 0.910 0.005 . 2 . . . . 369 VAL MG1 . 26815 2 575 . 1 1 369 369 VAL HG12 H 1 0.910 0.005 . 2 . . . . 369 VAL MG1 . 26815 2 576 . 1 1 369 369 VAL HG13 H 1 0.910 0.005 . 2 . . . . 369 VAL MG1 . 26815 2 577 . 1 1 369 369 VAL CG1 C 13 23.740 0.01 . 2 . . . . 369 VAL CG1 . 26815 2 578 . 1 1 370 370 ALA HB1 H 1 1.212 0.005 . 1 . . . . 370 ALA MB . 26815 2 579 . 1 1 370 370 ALA HB2 H 1 1.212 0.005 . 1 . . . . 370 ALA MB . 26815 2 580 . 1 1 370 370 ALA HB3 H 1 1.212 0.005 . 1 . . . . 370 ALA MB . 26815 2 581 . 1 1 370 370 ALA CB C 13 18.211 0.01 . 1 . . . . 370 ALA CB . 26815 2 582 . 1 1 373 373 ALA HB1 H 1 1.298 0.005 . 1 . . . . 373 ALA MB . 26815 2 583 . 1 1 373 373 ALA HB2 H 1 1.298 0.005 . 1 . . . . 373 ALA MB . 26815 2 584 . 1 1 373 373 ALA HB3 H 1 1.298 0.005 . 1 . . . . 373 ALA MB . 26815 2 585 . 1 1 373 373 ALA CB C 13 17.630 0.01 . 1 . . . . 373 ALA CB . 26815 2 586 . 1 1 374 374 ALA HB1 H 1 1.290 0.005 . 1 . . . . 374 ALA MB . 26815 2 587 . 1 1 374 374 ALA HB2 H 1 1.290 0.005 . 1 . . . . 374 ALA MB . 26815 2 588 . 1 1 374 374 ALA HB3 H 1 1.290 0.005 . 1 . . . . 374 ALA MB . 26815 2 589 . 1 1 374 374 ALA CB C 13 17.592 0.01 . 1 . . . . 374 ALA CB . 26815 2 590 . 1 1 375 375 VAL HG11 H 1 0.747 0.005 . 2 . . . . 375 VAL MG1 . 26815 2 591 . 1 1 375 375 VAL HG12 H 1 0.747 0.005 . 2 . . . . 375 VAL MG1 . 26815 2 592 . 1 1 375 375 VAL HG13 H 1 0.747 0.005 . 2 . . . . 375 VAL MG1 . 26815 2 593 . 1 1 375 375 VAL CG1 C 13 20.925 0.01 . 2 . . . . 375 VAL CG1 . 26815 2 594 . 1 1 377 377 ALA HB1 H 1 1.126 0.005 . 1 . . . . 377 ALA MB . 26815 2 595 . 1 1 377 377 ALA HB2 H 1 1.126 0.005 . 1 . . . . 377 ALA MB . 26815 2 596 . 1 1 377 377 ALA HB3 H 1 1.126 0.005 . 1 . . . . 377 ALA MB . 26815 2 597 . 1 1 377 377 ALA CB C 13 17.440 0.01 . 1 . . . . 377 ALA CB . 26815 2 598 . 1 1 378 378 ALA HB1 H 1 1.306 0.005 . 1 . . . . 378 ALA MB . 26815 2 599 . 1 1 378 378 ALA HB2 H 1 1.306 0.005 . 1 . . . . 378 ALA MB . 26815 2 600 . 1 1 378 378 ALA HB3 H 1 1.306 0.005 . 1 . . . . 378 ALA MB . 26815 2 601 . 1 1 378 378 ALA CB C 13 18.698 0.01 . 1 . . . . 378 ALA CB . 26815 2 602 . 1 1 379 379 ILE HD11 H 1 0.623 0.005 . 1 . . . . 379 ILE HD1 . 26815 2 603 . 1 1 379 379 ILE HD12 H 1 0.623 0.005 . 1 . . . . 379 ILE HD1 . 26815 2 604 . 1 1 379 379 ILE HD13 H 1 0.623 0.005 . 1 . . . . 379 ILE HD1 . 26815 2 605 . 1 1 379 379 ILE CD1 C 13 13.034 0.01 . 1 . . . . 379 ILE CD1 . 26815 2 606 . 1 1 380 380 LEU HD11 H 1 0.782 0.005 . 2 . . . . 380 LEU MD1 . 26815 2 607 . 1 1 380 380 LEU HD12 H 1 0.782 0.005 . 2 . . . . 380 LEU MD1 . 26815 2 608 . 1 1 380 380 LEU HD13 H 1 0.782 0.005 . 2 . . . . 380 LEU MD1 . 26815 2 609 . 1 1 380 380 LEU HD21 H 1 0.622 0.005 . 2 . . . . 380 LEU MD2 . 26815 2 610 . 1 1 380 380 LEU HD22 H 1 0.622 0.005 . 2 . . . . 380 LEU MD2 . 26815 2 611 . 1 1 380 380 LEU HD23 H 1 0.622 0.005 . 2 . . . . 380 LEU MD2 . 26815 2 612 . 1 1 380 380 LEU CD1 C 13 21.594 0.01 . 2 . . . . 380 LEU CD1 . 26815 2 613 . 1 1 380 380 LEU CD2 C 13 26.387 0.01 . 2 . . . . 380 LEU CD2 . 26815 2 stop_ save_