data_19654 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19654 _Entry.Title ; NMR Structure of human Mcl-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-04 _Entry.Accession_date 2013-12-04 _Entry.Last_release_date 2014-05-12 _Entry.Original_release_date 2014-05-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaohua Liu . . . 19654 2 Leszek Poppe . . . 19654 3 Ken Aoki . . . 19654 4 Harvey Yamane . . . 19654 5 Jeffrey Lewis . . . 19654 6 Thomas Szyperski . . . 19654 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19654 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Apoptosis . 19654 'Bcl-2 family' . 19654 'BH domain' . 19654 'Cancer drug' . 19654 'GFT NMR' . 19654 Mcl-1 . 19654 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19654 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 548 19654 '15N chemical shifts' 175 19654 '1H chemical shifts' 1153 19654 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 . . 2014-05-12 2013-12-03 original author . 19654 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHS 'BMRB Entry Tracking System' 19654 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19654 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24789074 _Citation.Full_citation . _Citation.Title 'High-quality NMR Structure of Human Anti-apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev PLOS _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 5 _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 e96521 _Citation.Page_last e96521 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gaohua Liu . . . 19654 1 2 Leszek Poppe . . . 19654 1 3 Ken Aoki . . . 19654 1 4 Harvey Yamane . . . 19654 1 5 Jeffrey Lewis . . . 19654 1 6 Thomas Szyperski . . . 19654 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19654 _Assembly.ID 1 _Assembly.Name 'human Mcl-1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human Mcl-1' 1 $entity A . yes native no no . . . 19654 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19654 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEDELYRQSLEIISRYLREQ ATGAKDTKPMGRSGATSRKA LETLRRVGDGVQRNHETAFQ GMLRKLDIKNEDDVKSLSRV MIHVFSDGVTNWGRIVTLIS FGAFVAKHLKTINQESSIEP LAESITDVLVRTKRDWLVKQ RGWDGFVEFFHVEDLEGGHH HHHHMEDELYRQSLEIISRY LREQATGAKDTKPMGRSGAT SRKALETLRRVGDGVQRNHE TAFQGMLRKLDIKNEDDVKS LSRVMIHVFSDGVTNWGRIV TLISFGAFVAKHLKTINQES SIEPLAESITDVLVRTKRDW LVKQRGWDGFVEFFHVEDLE GGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 328 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 37715.047 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MHS . "Nmr Structure Of Human Mcl-1" . . . . . 50.00 164 100.00 100.00 2.42e-112 . . . . 19654 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 . 19654 1 2 . GLU . 19654 1 3 . ASP . 19654 1 4 . GLU . 19654 1 5 . LEU . 19654 1 6 . TYR . 19654 1 7 . ARG . 19654 1 8 . GLN . 19654 1 9 . SER . 19654 1 10 . LEU . 19654 1 11 . GLU . 19654 1 12 . ILE . 19654 1 13 . ILE . 19654 1 14 . SER . 19654 1 15 . ARG . 19654 1 16 . TYR . 19654 1 17 . LEU . 19654 1 18 . ARG . 19654 1 19 . GLU . 19654 1 20 . GLN . 19654 1 21 . ALA . 19654 1 22 . THR . 19654 1 23 . GLY . 19654 1 24 . ALA . 19654 1 25 . LYS . 19654 1 26 . ASP . 19654 1 27 . THR . 19654 1 28 . LYS . 19654 1 29 . PRO . 19654 1 30 . MET . 19654 1 31 . GLY . 19654 1 32 . ARG . 19654 1 33 . SER . 19654 1 34 . GLY . 19654 1 35 . ALA . 19654 1 36 . THR . 19654 1 37 . SER . 19654 1 38 . ARG . 19654 1 39 . LYS . 19654 1 40 . ALA . 19654 1 41 . LEU . 19654 1 42 . GLU . 19654 1 43 . THR . 19654 1 44 . LEU . 19654 1 45 . ARG . 19654 1 46 . ARG . 19654 1 47 . VAL . 19654 1 48 . GLY . 19654 1 49 . ASP . 19654 1 50 . GLY . 19654 1 51 . VAL . 19654 1 52 . GLN . 19654 1 53 . ARG . 19654 1 54 . ASN . 19654 1 55 . HIS . 19654 1 56 . GLU . 19654 1 57 . THR . 19654 1 58 . ALA . 19654 1 59 . PHE . 19654 1 60 . GLN . 19654 1 61 . GLY . 19654 1 62 . MET . 19654 1 63 . LEU . 19654 1 64 . ARG . 19654 1 65 . LYS . 19654 1 66 . LEU . 19654 1 67 . ASP . 19654 1 68 . ILE . 19654 1 69 . LYS . 19654 1 70 . ASN . 19654 1 71 . GLU . 19654 1 72 . ASP . 19654 1 73 . ASP . 19654 1 74 . VAL . 19654 1 75 . LYS . 19654 1 76 . SER . 19654 1 77 . LEU . 19654 1 78 . SER . 19654 1 79 . ARG . 19654 1 80 . VAL . 19654 1 81 . MET . 19654 1 82 . ILE . 19654 1 83 . HIS . 19654 1 84 . VAL . 19654 1 85 . PHE . 19654 1 86 . SER . 19654 1 87 . ASP . 19654 1 88 . GLY . 19654 1 89 . VAL . 19654 1 90 . THR . 19654 1 91 . ASN . 19654 1 92 . TRP . 19654 1 93 . GLY . 19654 1 94 . ARG . 19654 1 95 . ILE . 19654 1 96 . VAL . 19654 1 97 . THR . 19654 1 98 . LEU . 19654 1 99 . ILE . 19654 1 100 . SER . 19654 1 101 . PHE . 19654 1 102 . GLY . 19654 1 103 . ALA . 19654 1 104 . PHE . 19654 1 105 . VAL . 19654 1 106 . ALA . 19654 1 107 . LYS . 19654 1 108 . HIS . 19654 1 109 . LEU . 19654 1 110 . LYS . 19654 1 111 . THR . 19654 1 112 . ILE . 19654 1 113 . ASN . 19654 1 114 . GLN . 19654 1 115 . GLU . 19654 1 116 . SER . 19654 1 117 . SER . 19654 1 118 . ILE . 19654 1 119 . GLU . 19654 1 120 . PRO . 19654 1 121 . LEU . 19654 1 122 . ALA . 19654 1 123 . GLU . 19654 1 124 . SER . 19654 1 125 . ILE . 19654 1 126 . THR . 19654 1 127 . ASP . 19654 1 128 . VAL . 19654 1 129 . LEU . 19654 1 130 . VAL . 19654 1 131 . ARG . 19654 1 132 . THR . 19654 1 133 . LYS . 19654 1 134 . ARG . 19654 1 135 . ASP . 19654 1 136 . TRP . 19654 1 137 . LEU . 19654 1 138 . VAL . 19654 1 139 . LYS . 19654 1 140 . GLN . 19654 1 141 . ARG . 19654 1 142 . GLY . 19654 1 143 . TRP . 19654 1 144 . ASP . 19654 1 145 . GLY . 19654 1 146 . PHE . 19654 1 147 . VAL . 19654 1 148 . GLU . 19654 1 149 . PHE . 19654 1 150 . PHE . 19654 1 151 . HIS . 19654 1 152 . VAL . 19654 1 153 . GLU . 19654 1 154 . ASP . 19654 1 155 . LEU . 19654 1 156 . GLU . 19654 1 157 . GLY . 19654 1 158 . GLY . 19654 1 159 . HIS . 19654 1 160 . HIS . 19654 1 161 . HIS . 19654 1 162 . HIS . 19654 1 163 . HIS . 19654 1 164 . HIS . 19654 1 165 . MET . 19654 1 166 . GLU . 19654 1 167 . ASP . 19654 1 168 . GLU . 19654 1 169 . LEU . 19654 1 170 . TYR . 19654 1 171 . ARG . 19654 1 172 . GLN . 19654 1 173 . SER . 19654 1 174 . LEU . 19654 1 175 . GLU . 19654 1 176 . ILE . 19654 1 177 . ILE . 19654 1 178 . SER . 19654 1 179 . ARG . 19654 1 180 . TYR . 19654 1 181 . LEU . 19654 1 182 . ARG . 19654 1 183 . GLU . 19654 1 184 . GLN . 19654 1 185 . ALA . 19654 1 186 . THR . 19654 1 187 . GLY . 19654 1 188 . ALA . 19654 1 189 . LYS . 19654 1 190 . ASP . 19654 1 191 . THR . 19654 1 192 . LYS . 19654 1 193 . PRO . 19654 1 194 . MET . 19654 1 195 . GLY . 19654 1 196 . ARG . 19654 1 197 . SER . 19654 1 198 . GLY . 19654 1 199 . ALA . 19654 1 200 . THR . 19654 1 201 . SER . 19654 1 202 . ARG . 19654 1 203 . LYS . 19654 1 204 . ALA . 19654 1 205 . LEU . 19654 1 206 . GLU . 19654 1 207 . THR . 19654 1 208 . LEU . 19654 1 209 . ARG . 19654 1 210 . ARG . 19654 1 211 . VAL . 19654 1 212 . GLY . 19654 1 213 . ASP . 19654 1 214 . GLY . 19654 1 215 . VAL . 19654 1 216 . GLN . 19654 1 217 . ARG . 19654 1 218 . ASN . 19654 1 219 . HIS . 19654 1 220 . GLU . 19654 1 221 . THR . 19654 1 222 . ALA . 19654 1 223 . PHE . 19654 1 224 . GLN . 19654 1 225 . GLY . 19654 1 226 . MET . 19654 1 227 . LEU . 19654 1 228 . ARG . 19654 1 229 . LYS . 19654 1 230 . LEU . 19654 1 231 . ASP . 19654 1 232 . ILE . 19654 1 233 . LYS . 19654 1 234 . ASN . 19654 1 235 . GLU . 19654 1 236 . ASP . 19654 1 237 . ASP . 19654 1 238 . VAL . 19654 1 239 . LYS . 19654 1 240 . SER . 19654 1 241 . LEU . 19654 1 242 . SER . 19654 1 243 . ARG . 19654 1 244 . VAL . 19654 1 245 . MET . 19654 1 246 . ILE . 19654 1 247 . HIS . 19654 1 248 . VAL . 19654 1 249 . PHE . 19654 1 250 . SER . 19654 1 251 . ASP . 19654 1 252 . GLY . 19654 1 253 . VAL . 19654 1 254 . THR . 19654 1 255 . ASN . 19654 1 256 . TRP . 19654 1 257 . GLY . 19654 1 258 . ARG . 19654 1 259 . ILE . 19654 1 260 . VAL . 19654 1 261 . THR . 19654 1 262 . LEU . 19654 1 263 . ILE . 19654 1 264 . SER . 19654 1 265 . PHE . 19654 1 266 . GLY . 19654 1 267 . ALA . 19654 1 268 . PHE . 19654 1 269 . VAL . 19654 1 270 . ALA . 19654 1 271 . LYS . 19654 1 272 . HIS . 19654 1 273 . LEU . 19654 1 274 . LYS . 19654 1 275 . THR . 19654 1 276 . ILE . 19654 1 277 . ASN . 19654 1 278 . GLN . 19654 1 279 . GLU . 19654 1 280 . SER . 19654 1 281 . SER . 19654 1 282 . ILE . 19654 1 283 . GLU . 19654 1 284 . PRO . 19654 1 285 . LEU . 19654 1 286 . ALA . 19654 1 287 . GLU . 19654 1 288 . SER . 19654 1 289 . ILE . 19654 1 290 . THR . 19654 1 291 . ASP . 19654 1 292 . VAL . 19654 1 293 . LEU . 19654 1 294 . VAL . 19654 1 295 . ARG . 19654 1 296 . THR . 19654 1 297 . LYS . 19654 1 298 . ARG . 19654 1 299 . ASP . 19654 1 300 . TRP . 19654 1 301 . LEU . 19654 1 302 . VAL . 19654 1 303 . LYS . 19654 1 304 . GLN . 19654 1 305 . ARG . 19654 1 306 . GLY . 19654 1 307 . TRP . 19654 1 308 . ASP . 19654 1 309 . GLY . 19654 1 310 . PHE . 19654 1 311 . VAL . 19654 1 312 . GLU . 19654 1 313 . PHE . 19654 1 314 . PHE . 19654 1 315 . HIS . 19654 1 316 . VAL . 19654 1 317 . GLU . 19654 1 318 . ASP . 19654 1 319 . LEU . 19654 1 320 . GLU . 19654 1 321 . GLY . 19654 1 322 . GLY . 19654 1 323 . HIS . 19654 1 324 . HIS . 19654 1 325 . HIS . 19654 1 326 . HIS . 19654 1 327 . HIS . 19654 1 328 . HIS . 19654 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 19654 1 . GLU 2 2 19654 1 . ASP 3 3 19654 1 . GLU 4 4 19654 1 . LEU 5 5 19654 1 . TYR 6 6 19654 1 . ARG 7 7 19654 1 . GLN 8 8 19654 1 . SER 9 9 19654 1 . LEU 10 10 19654 1 . GLU 11 11 19654 1 . ILE 12 12 19654 1 . ILE 13 13 19654 1 . SER 14 14 19654 1 . ARG 15 15 19654 1 . TYR 16 16 19654 1 . LEU 17 17 19654 1 . ARG 18 18 19654 1 . GLU 19 19 19654 1 . GLN 20 20 19654 1 . ALA 21 21 19654 1 . THR 22 22 19654 1 . GLY 23 23 19654 1 . ALA 24 24 19654 1 . LYS 25 25 19654 1 . ASP 26 26 19654 1 . THR 27 27 19654 1 . LYS 28 28 19654 1 . PRO 29 29 19654 1 . MET 30 30 19654 1 . GLY 31 31 19654 1 . ARG 32 32 19654 1 . SER 33 33 19654 1 . GLY 34 34 19654 1 . ALA 35 35 19654 1 . THR 36 36 19654 1 . SER 37 37 19654 1 . ARG 38 38 19654 1 . LYS 39 39 19654 1 . ALA 40 40 19654 1 . LEU 41 41 19654 1 . GLU 42 42 19654 1 . THR 43 43 19654 1 . LEU 44 44 19654 1 . ARG 45 45 19654 1 . ARG 46 46 19654 1 . VAL 47 47 19654 1 . GLY 48 48 19654 1 . ASP 49 49 19654 1 . GLY 50 50 19654 1 . VAL 51 51 19654 1 . GLN 52 52 19654 1 . ARG 53 53 19654 1 . ASN 54 54 19654 1 . HIS 55 55 19654 1 . GLU 56 56 19654 1 . THR 57 57 19654 1 . ALA 58 58 19654 1 . PHE 59 59 19654 1 . GLN 60 60 19654 1 . GLY 61 61 19654 1 . MET 62 62 19654 1 . LEU 63 63 19654 1 . ARG 64 64 19654 1 . LYS 65 65 19654 1 . LEU 66 66 19654 1 . ASP 67 67 19654 1 . ILE 68 68 19654 1 . LYS 69 69 19654 1 . ASN 70 70 19654 1 . GLU 71 71 19654 1 . ASP 72 72 19654 1 . ASP 73 73 19654 1 . VAL 74 74 19654 1 . LYS 75 75 19654 1 . SER 76 76 19654 1 . LEU 77 77 19654 1 . SER 78 78 19654 1 . ARG 79 79 19654 1 . VAL 80 80 19654 1 . MET 81 81 19654 1 . ILE 82 82 19654 1 . HIS 83 83 19654 1 . VAL 84 84 19654 1 . PHE 85 85 19654 1 . SER 86 86 19654 1 . ASP 87 87 19654 1 . GLY 88 88 19654 1 . VAL 89 89 19654 1 . THR 90 90 19654 1 . ASN 91 91 19654 1 . TRP 92 92 19654 1 . GLY 93 93 19654 1 . ARG 94 94 19654 1 . ILE 95 95 19654 1 . VAL 96 96 19654 1 . THR 97 97 19654 1 . LEU 98 98 19654 1 . ILE 99 99 19654 1 . SER 100 100 19654 1 . PHE 101 101 19654 1 . GLY 102 102 19654 1 . ALA 103 103 19654 1 . PHE 104 104 19654 1 . VAL 105 105 19654 1 . ALA 106 106 19654 1 . LYS 107 107 19654 1 . HIS 108 108 19654 1 . LEU 109 109 19654 1 . LYS 110 110 19654 1 . THR 111 111 19654 1 . ILE 112 112 19654 1 . ASN 113 113 19654 1 . GLN 114 114 19654 1 . GLU 115 115 19654 1 . SER 116 116 19654 1 . SER 117 117 19654 1 . ILE 118 118 19654 1 . GLU 119 119 19654 1 . PRO 120 120 19654 1 . LEU 121 121 19654 1 . ALA 122 122 19654 1 . GLU 123 123 19654 1 . SER 124 124 19654 1 . ILE 125 125 19654 1 . THR 126 126 19654 1 . ASP 127 127 19654 1 . VAL 128 128 19654 1 . LEU 129 129 19654 1 . VAL 130 130 19654 1 . ARG 131 131 19654 1 . THR 132 132 19654 1 . LYS 133 133 19654 1 . ARG 134 134 19654 1 . ASP 135 135 19654 1 . TRP 136 136 19654 1 . LEU 137 137 19654 1 . VAL 138 138 19654 1 . LYS 139 139 19654 1 . GLN 140 140 19654 1 . ARG 141 141 19654 1 . GLY 142 142 19654 1 . TRP 143 143 19654 1 . ASP 144 144 19654 1 . GLY 145 145 19654 1 . PHE 146 146 19654 1 . VAL 147 147 19654 1 . GLU 148 148 19654 1 . PHE 149 149 19654 1 . PHE 150 150 19654 1 . HIS 151 151 19654 1 . VAL 152 152 19654 1 . GLU 153 153 19654 1 . ASP 154 154 19654 1 . LEU 155 155 19654 1 . GLU 156 156 19654 1 . GLY 157 157 19654 1 . GLY 158 158 19654 1 . HIS 159 159 19654 1 . HIS 160 160 19654 1 . HIS 161 161 19654 1 . HIS 162 162 19654 1 . HIS 163 163 19654 1 . HIS 164 164 19654 1 . MET 165 165 19654 1 . GLU 166 166 19654 1 . ASP 167 167 19654 1 . GLU 168 168 19654 1 . LEU 169 169 19654 1 . TYR 170 170 19654 1 . ARG 171 171 19654 1 . GLN 172 172 19654 1 . SER 173 173 19654 1 . LEU 174 174 19654 1 . GLU 175 175 19654 1 . ILE 176 176 19654 1 . ILE 177 177 19654 1 . SER 178 178 19654 1 . ARG 179 179 19654 1 . TYR 180 180 19654 1 . LEU 181 181 19654 1 . ARG 182 182 19654 1 . GLU 183 183 19654 1 . GLN 184 184 19654 1 . ALA 185 185 19654 1 . THR 186 186 19654 1 . GLY 187 187 19654 1 . ALA 188 188 19654 1 . LYS 189 189 19654 1 . ASP 190 190 19654 1 . THR 191 191 19654 1 . LYS 192 192 19654 1 . PRO 193 193 19654 1 . MET 194 194 19654 1 . GLY 195 195 19654 1 . ARG 196 196 19654 1 . SER 197 197 19654 1 . GLY 198 198 19654 1 . ALA 199 199 19654 1 . THR 200 200 19654 1 . SER 201 201 19654 1 . ARG 202 202 19654 1 . LYS 203 203 19654 1 . ALA 204 204 19654 1 . LEU 205 205 19654 1 . GLU 206 206 19654 1 . THR 207 207 19654 1 . LEU 208 208 19654 1 . ARG 209 209 19654 1 . ARG 210 210 19654 1 . VAL 211 211 19654 1 . GLY 212 212 19654 1 . ASP 213 213 19654 1 . GLY 214 214 19654 1 . VAL 215 215 19654 1 . GLN 216 216 19654 1 . ARG 217 217 19654 1 . ASN 218 218 19654 1 . HIS 219 219 19654 1 . GLU 220 220 19654 1 . THR 221 221 19654 1 . ALA 222 222 19654 1 . PHE 223 223 19654 1 . GLN 224 224 19654 1 . GLY 225 225 19654 1 . MET 226 226 19654 1 . LEU 227 227 19654 1 . ARG 228 228 19654 1 . LYS 229 229 19654 1 . LEU 230 230 19654 1 . ASP 231 231 19654 1 . ILE 232 232 19654 1 . LYS 233 233 19654 1 . ASN 234 234 19654 1 . GLU 235 235 19654 1 . ASP 236 236 19654 1 . ASP 237 237 19654 1 . VAL 238 238 19654 1 . LYS 239 239 19654 1 . SER 240 240 19654 1 . LEU 241 241 19654 1 . SER 242 242 19654 1 . ARG 243 243 19654 1 . VAL 244 244 19654 1 . MET 245 245 19654 1 . ILE 246 246 19654 1 . HIS 247 247 19654 1 . VAL 248 248 19654 1 . PHE 249 249 19654 1 . SER 250 250 19654 1 . ASP 251 251 19654 1 . GLY 252 252 19654 1 . VAL 253 253 19654 1 . THR 254 254 19654 1 . ASN 255 255 19654 1 . TRP 256 256 19654 1 . GLY 257 257 19654 1 . ARG 258 258 19654 1 . ILE 259 259 19654 1 . VAL 260 260 19654 1 . THR 261 261 19654 1 . LEU 262 262 19654 1 . ILE 263 263 19654 1 . SER 264 264 19654 1 . PHE 265 265 19654 1 . GLY 266 266 19654 1 . ALA 267 267 19654 1 . PHE 268 268 19654 1 . VAL 269 269 19654 1 . ALA 270 270 19654 1 . LYS 271 271 19654 1 . HIS 272 272 19654 1 . LEU 273 273 19654 1 . LYS 274 274 19654 1 . THR 275 275 19654 1 . ILE 276 276 19654 1 . ASN 277 277 19654 1 . GLN 278 278 19654 1 . GLU 279 279 19654 1 . SER 280 280 19654 1 . SER 281 281 19654 1 . ILE 282 282 19654 1 . GLU 283 283 19654 1 . PRO 284 284 19654 1 . LEU 285 285 19654 1 . ALA 286 286 19654 1 . GLU 287 287 19654 1 . SER 288 288 19654 1 . ILE 289 289 19654 1 . THR 290 290 19654 1 . ASP 291 291 19654 1 . VAL 292 292 19654 1 . LEU 293 293 19654 1 . VAL 294 294 19654 1 . ARG 295 295 19654 1 . THR 296 296 19654 1 . LYS 297 297 19654 1 . ARG 298 298 19654 1 . ASP 299 299 19654 1 . TRP 300 300 19654 1 . LEU 301 301 19654 1 . VAL 302 302 19654 1 . LYS 303 303 19654 1 . GLN 304 304 19654 1 . ARG 305 305 19654 1 . GLY 306 306 19654 1 . TRP 307 307 19654 1 . ASP 308 308 19654 1 . GLY 309 309 19654 1 . PHE 310 310 19654 1 . VAL 311 311 19654 1 . GLU 312 312 19654 1 . PHE 313 313 19654 1 . PHE 314 314 19654 1 . HIS 315 315 19654 1 . VAL 316 316 19654 1 . GLU 317 317 19654 1 . ASP 318 318 19654 1 . LEU 319 319 19654 1 . GLU 320 320 19654 1 . GLY 321 321 19654 1 . GLY 322 322 19654 1 . HIS 323 323 19654 1 . HIS 324 324 19654 1 . HIS 325 325 19654 1 . HIS 326 326 19654 1 . HIS 327 327 19654 1 . HIS 328 328 19654 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19654 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'hMcl-1(171-327) Cys 286 Ser referred to as hMcl-1(171-327) in this publication.' . . 19654 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 19654 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pSR482-21.1 . . . . . . 19654 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 19654 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mcl-1 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 19654 1 stop_ save_ save_sample_NC5 _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5 _Sample.Entry_ID 19654 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mcl-1 '[U-5% 13C; U-100% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 19654 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 19654 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 19654 1 pH 7.4 . pH 19654 1 pressure 1 . atm 19654 1 temperature 298 . K 19654 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 19654 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19654 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19654 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19654 _Software.ID 2 _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' . . 19654 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19654 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19654 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19654 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19654 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 19654 _Software.ID 4 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 19654 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19654 4 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 19654 _Software.ID 5 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 19654 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19654 5 refinement 19654 5 'structure solution' 19654 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19654 _Software.ID 6 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19654 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19654 6 refinement 19654 6 'structure solution' 19654 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19654 _Software.ID 7 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19654 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19654 7 'structure solution' 19654 7 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 19654 _Software.ID 8 _Software.Name SPSCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Glaser . . 19654 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19654 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19654 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 19654 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19654 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_V750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode V750 _NMR_spectrometer.Entry_ID 19654 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_V600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode V600 _NMR_spectrometer.Entry_ID 19654 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19654 _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 V750 Varian INOVA . 750 . . . 19654 1 2 V600 Varian INOVA . 600 . . . 19654 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 19654 _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 '3D 15N/13Caliphatic/13Caromatic-resolved NOESY' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 1 2 'GFT(4,3)D HNNCabCa' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 1 3 GFT(4,3)DCabCacoNHN no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 1 4 'GFT(4,3)D HabCabcoNHN' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 1 5 'GFT(4,3)D HNNCO' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 1 6 'GFT (4,3)D HCCH' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $V600 . . . . . . . . . . . . . . . . 19654 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $V750 . . . . . . . . . . . . . . . . 19654 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 19654 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19654 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19654 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19654 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 19654 _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 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N/13Caliphatic/13Caromatic-resolved NOESY' . . . 19654 1 2 'GFT(4,3)D HNNCabCa' . . . 19654 1 3 GFT(4,3)DCabCacoNHN . . . 19654 1 4 'GFT(4,3)D HabCabcoNHN' . . . 19654 1 6 'GFT (4,3)D HCCH' . . . 19654 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.998 0.02 . . . . . A 1 MET HA . 19654 1 2 . 1 1 1 1 MET HB2 H 1 2.073 0.02 . . . . . A 1 MET HB2 . 19654 1 3 . 1 1 1 1 MET HB3 H 1 2.050 0.02 . . . . . A 1 MET HB3 . 19654 1 4 . 1 1 1 1 MET HG2 H 1 2.552 0.02 . . . . . A 1 MET HG2 . 19654 1 5 . 1 1 1 1 MET HG3 H 1 2.552 0.02 . . . . . A 1 MET HG3 . 19654 1 6 . 1 1 1 1 MET HE1 H 1 2.086 0.02 . . . . . A 1 MET HE1 . 19654 1 7 . 1 1 1 1 MET HE2 H 1 2.086 0.02 . . . . . A 1 MET HE2 . 19654 1 8 . 1 1 1 1 MET HE3 H 1 2.086 0.02 . . . . . A 1 MET HE3 . 19654 1 9 . 1 1 1 1 MET CA C 13 55.165 0.5 . . . . . A 1 MET CA . 19654 1 10 . 1 1 1 1 MET CB C 13 33.225 0.5 . . . . . A 1 MET CB . 19654 1 11 . 1 1 1 1 MET CG C 13 30.866 0.5 . . . . . A 1 MET CG . 19654 1 12 . 1 1 1 1 MET CE C 13 16.700 0.5 . . . . . A 1 MET CE . 19654 1 13 . 1 1 2 2 GLU HA H 1 4.333 0.02 . . . . . A 2 GLU HA . 19654 1 14 . 1 1 2 2 GLU HB2 H 1 2.014 0.02 . . . . . A 2 GLU HB2 . 19654 1 15 . 1 1 2 2 GLU HB3 H 1 1.918 0.02 . . . . . A 2 GLU HB3 . 19654 1 16 . 1 1 2 2 GLU HG2 H 1 2.157 0.02 . . . . . A 2 GLU HG2 . 19654 1 17 . 1 1 2 2 GLU HG3 H 1 2.157 0.02 . . . . . A 2 GLU HG3 . 19654 1 18 . 1 1 2 2 GLU CA C 13 56.183 0.5 . . . . . A 2 GLU CA . 19654 1 19 . 1 1 2 2 GLU CB C 13 30.150 0.5 . . . . . A 2 GLU CB . 19654 1 20 . 1 1 2 2 GLU CG C 13 35.954 0.5 . . . . . A 2 GLU CG . 19654 1 21 . 1 1 3 3 ASP H H 1 8.437 0.02 . . . . . A 3 ASP H . 19654 1 22 . 1 1 3 3 ASP HA H 1 4.729 0.02 . . . . . A 3 ASP HA . 19654 1 23 . 1 1 3 3 ASP HB2 H 1 2.894 0.02 . . . . . A 3 ASP HB2 . 19654 1 24 . 1 1 3 3 ASP HB3 H 1 2.741 0.02 . . . . . A 3 ASP HB3 . 19654 1 25 . 1 1 3 3 ASP CA C 13 53.659 0.5 . . . . . A 3 ASP CA . 19654 1 26 . 1 1 3 3 ASP CB C 13 41.319 0.5 . . . . . A 3 ASP CB . 19654 1 27 . 1 1 3 3 ASP N N 15 122.553 0.5 . . . . . A 3 ASP N . 19654 1 28 . 1 1 4 4 GLU H H 1 8.726 0.02 . . . . . A 4 GLU H . 19654 1 29 . 1 1 4 4 GLU HA H 1 4.235 0.02 . . . . . A 4 GLU HA . 19654 1 30 . 1 1 4 4 GLU HB2 H 1 2.076 0.02 . . . . . A 4 GLU HB2 . 19654 1 31 . 1 1 4 4 GLU HB3 H 1 2.120 0.02 . . . . . A 4 GLU HB3 . 19654 1 32 . 1 1 4 4 GLU HG2 H 1 2.389 0.02 . . . . . A 4 GLU HG2 . 19654 1 33 . 1 1 4 4 GLU HG3 H 1 2.389 0.02 . . . . . A 4 GLU HG3 . 19654 1 34 . 1 1 4 4 GLU CA C 13 58.915 0.5 . . . . . A 4 GLU CA . 19654 1 35 . 1 1 4 4 GLU CB C 13 29.274 0.5 . . . . . A 4 GLU CB . 19654 1 36 . 1 1 4 4 GLU CG C 13 35.515 0.5 . . . . . A 4 GLU CG . 19654 1 37 . 1 1 4 4 GLU N N 15 125.121 0.5 . . . . . A 4 GLU N . 19654 1 38 . 1 1 5 5 LEU H H 1 8.381 0.02 . . . . . A 5 LEU H . 19654 1 39 . 1 1 5 5 LEU HA H 1 4.517 0.02 . . . . . A 5 LEU HA . 19654 1 40 . 1 1 5 5 LEU HB2 H 1 1.922 0.02 . . . . . A 5 LEU HB2 . 19654 1 41 . 1 1 5 5 LEU HB3 H 1 1.766 0.02 . . . . . A 5 LEU HB3 . 19654 1 42 . 1 1 5 5 LEU HG H 1 1.552 0.02 . . . . . A 5 LEU HG . 19654 1 43 . 1 1 5 5 LEU HD11 H 1 1.068 0.02 . . . . . A 5 LEU HD11 . 19654 1 44 . 1 1 5 5 LEU HD12 H 1 1.068 0.02 . . . . . A 5 LEU HD12 . 19654 1 45 . 1 1 5 5 LEU HD13 H 1 1.068 0.02 . . . . . A 5 LEU HD13 . 19654 1 46 . 1 1 5 5 LEU HD21 H 1 0.987 0.02 . . . . . A 5 LEU HD21 . 19654 1 47 . 1 1 5 5 LEU HD22 H 1 0.987 0.02 . . . . . A 5 LEU HD22 . 19654 1 48 . 1 1 5 5 LEU HD23 H 1 0.987 0.02 . . . . . A 5 LEU HD23 . 19654 1 49 . 1 1 5 5 LEU CA C 13 57.939 0.5 . . . . . A 5 LEU CA . 19654 1 50 . 1 1 5 5 LEU CB C 13 40.917 0.5 . . . . . A 5 LEU CB . 19654 1 51 . 1 1 5 5 LEU CG C 13 27.490 0.5 . . . . . A 5 LEU CG . 19654 1 52 . 1 1 5 5 LEU CD1 C 13 22.059 0.5 . . . . . A 5 LEU CD1 . 19654 1 53 . 1 1 5 5 LEU CD2 C 13 26.087 0.5 . . . . . A 5 LEU CD2 . 19654 1 54 . 1 1 5 5 LEU N N 15 120.976 0.5 . . . . . A 5 LEU N . 19654 1 55 . 1 1 6 6 TYR H H 1 8.342 0.02 . . . . . A 6 TYR H . 19654 1 56 . 1 1 6 6 TYR HA H 1 3.865 0.02 . . . . . A 6 TYR HA . 19654 1 57 . 1 1 6 6 TYR HB2 H 1 3.244 0.02 . . . . . A 6 TYR HB2 . 19654 1 58 . 1 1 6 6 TYR HB3 H 1 3.060 0.02 . . . . . A 6 TYR HB3 . 19654 1 59 . 1 1 6 6 TYR HD1 H 1 6.922 0.02 . . . . . A 6 TYR HD1 . 19654 1 60 . 1 1 6 6 TYR HD2 H 1 6.922 0.02 . . . . . A 6 TYR HD2 . 19654 1 61 . 1 1 6 6 TYR HE1 H 1 6.808 0.02 . . . . . A 6 TYR HE1 . 19654 1 62 . 1 1 6 6 TYR HE2 H 1 6.808 0.02 . . . . . A 6 TYR HE2 . 19654 1 63 . 1 1 6 6 TYR CA C 13 62.721 0.5 . . . . . A 6 TYR CA . 19654 1 64 . 1 1 6 6 TYR CB C 13 38.475 0.5 . . . . . A 6 TYR CB . 19654 1 65 . 1 1 6 6 TYR CD1 C 13 132.800 0.5 . . . . . A 6 TYR CD1 . 19654 1 66 . 1 1 6 6 TYR CE1 C 13 117.896 0.5 . . . . . A 6 TYR CE1 . 19654 1 67 . 1 1 6 6 TYR N N 15 123.977 0.5 . . . . . A 6 TYR N . 19654 1 68 . 1 1 7 7 ARG H H 1 8.452 0.02 . . . . . A 7 ARG H . 19654 1 69 . 1 1 7 7 ARG HA H 1 3.828 0.02 . . . . . A 7 ARG HA . 19654 1 70 . 1 1 7 7 ARG HB2 H 1 2.042 0.02 . . . . . A 7 ARG HB2 . 19654 1 71 . 1 1 7 7 ARG HB3 H 1 1.909 0.02 . . . . . A 7 ARG HB3 . 19654 1 72 . 1 1 7 7 ARG HG2 H 1 1.859 0.02 . . . . . A 7 ARG HG2 . 19654 1 73 . 1 1 7 7 ARG HG3 H 1 1.677 0.02 . . . . . A 7 ARG HG3 . 19654 1 74 . 1 1 7 7 ARG HD2 H 1 3.282 0.02 . . . . . A 7 ARG HD2 . 19654 1 75 . 1 1 7 7 ARG HD3 H 1 3.189 0.02 . . . . . A 7 ARG HD3 . 19654 1 76 . 1 1 7 7 ARG HE H 1 7.601 0.02 . . . . . A 7 ARG HE . 19654 1 77 . 1 1 7 7 ARG CA C 13 59.619 0.5 . . . . . A 7 ARG CA . 19654 1 78 . 1 1 7 7 ARG CB C 13 29.720 0.5 . . . . . A 7 ARG CB . 19654 1 79 . 1 1 7 7 ARG CG C 13 26.601 0.5 . . . . . A 7 ARG CG . 19654 1 80 . 1 1 7 7 ARG CD C 13 42.802 0.5 . . . . . A 7 ARG CD . 19654 1 81 . 1 1 7 7 ARG N N 15 118.301 0.5 . . . . . A 7 ARG N . 19654 1 82 . 1 1 7 7 ARG NE N 15 82.590 0.5 . . . . . A 7 ARG NE . 19654 1 83 . 1 1 8 8 GLN H H 1 8.894 0.02 . . . . . A 8 GLN H . 19654 1 84 . 1 1 8 8 GLN HA H 1 3.944 0.02 . . . . . A 8 GLN HA . 19654 1 85 . 1 1 8 8 GLN HB2 H 1 2.260 0.02 . . . . . A 8 GLN HB2 . 19654 1 86 . 1 1 8 8 GLN HB3 H 1 2.139 0.02 . . . . . A 8 GLN HB3 . 19654 1 87 . 1 1 8 8 GLN HG2 H 1 2.388 0.02 . . . . . A 8 GLN HG2 . 19654 1 88 . 1 1 8 8 GLN HG3 H 1 2.012 0.02 . . . . . A 8 GLN HG3 . 19654 1 89 . 1 1 8 8 GLN HE21 H 1 7.352 0.02 . . . . . A 8 GLN HE21 . 19654 1 90 . 1 1 8 8 GLN HE22 H 1 7.041 0.02 . . . . . A 8 GLN HE22 . 19654 1 91 . 1 1 8 8 GLN CA C 13 58.827 0.5 . . . . . A 8 GLN CA . 19654 1 92 . 1 1 8 8 GLN CB C 13 28.918 0.5 . . . . . A 8 GLN CB . 19654 1 93 . 1 1 8 8 GLN CG C 13 33.541 0.5 . . . . . A 8 GLN CG . 19654 1 94 . 1 1 8 8 GLN N N 15 119.421 0.5 . . . . . A 8 GLN N . 19654 1 95 . 1 1 8 8 GLN NE2 N 15 110.218 0.5 . . . . . A 8 GLN NE2 . 19654 1 96 . 1 1 9 9 SER H H 1 8.018 0.02 . . . . . A 9 SER H . 19654 1 97 . 1 1 9 9 SER HA H 1 4.007 0.02 . . . . . A 9 SER HA . 19654 1 98 . 1 1 9 9 SER HB2 H 1 4.183 0.02 . . . . . A 9 SER HB2 . 19654 1 99 . 1 1 9 9 SER HB3 H 1 3.823 0.02 . . . . . A 9 SER HB3 . 19654 1 100 . 1 1 9 9 SER HG H 1 5.157 0.02 . . . . . A 9 SER HG . 19654 1 101 . 1 1 9 9 SER CA C 13 62.117 0.5 . . . . . A 9 SER CA . 19654 1 102 . 1 1 9 9 SER CB C 13 63.544 0.5 . . . . . A 9 SER CB . 19654 1 103 . 1 1 9 9 SER N N 15 113.384 0.5 . . . . . A 9 SER N . 19654 1 104 . 1 1 10 10 LEU H H 1 8.599 0.02 . . . . . A 10 LEU H . 19654 1 105 . 1 1 10 10 LEU HA H 1 4.130 0.02 . . . . . A 10 LEU HA . 19654 1 106 . 1 1 10 10 LEU HB2 H 1 1.726 0.02 . . . . . A 10 LEU HB2 . 19654 1 107 . 1 1 10 10 LEU HB3 H 1 1.091 0.02 . . . . . A 10 LEU HB3 . 19654 1 108 . 1 1 10 10 LEU HG H 1 1.490 0.02 . . . . . A 10 LEU HG . 19654 1 109 . 1 1 10 10 LEU HD11 H 1 0.795 0.02 . . . . . A 10 LEU HD11 . 19654 1 110 . 1 1 10 10 LEU HD12 H 1 0.795 0.02 . . . . . A 10 LEU HD12 . 19654 1 111 . 1 1 10 10 LEU HD13 H 1 0.795 0.02 . . . . . A 10 LEU HD13 . 19654 1 112 . 1 1 10 10 LEU HD21 H 1 0.999 0.02 . . . . . A 10 LEU HD21 . 19654 1 113 . 1 1 10 10 LEU HD22 H 1 0.999 0.02 . . . . . A 10 LEU HD22 . 19654 1 114 . 1 1 10 10 LEU HD23 H 1 0.999 0.02 . . . . . A 10 LEU HD23 . 19654 1 115 . 1 1 10 10 LEU CA C 13 57.022 0.5 . . . . . A 10 LEU CA . 19654 1 116 . 1 1 10 10 LEU CB C 13 41.146 0.5 . . . . . A 10 LEU CB . 19654 1 117 . 1 1 10 10 LEU CG C 13 27.014 0.5 . . . . . A 10 LEU CG . 19654 1 118 . 1 1 10 10 LEU CD1 C 13 22.976 0.5 . . . . . A 10 LEU CD1 . 19654 1 119 . 1 1 10 10 LEU CD2 C 13 26.087 0.5 . . . . . A 10 LEU CD2 . 19654 1 120 . 1 1 10 10 LEU N N 15 121.112 0.5 . . . . . A 10 LEU N . 19654 1 121 . 1 1 11 11 GLU H H 1 7.806 0.02 . . . . . A 11 GLU H . 19654 1 122 . 1 1 11 11 GLU HA H 1 3.914 0.02 . . . . . A 11 GLU HA . 19654 1 123 . 1 1 11 11 GLU HB2 H 1 2.095 0.02 . . . . . A 11 GLU HB2 . 19654 1 124 . 1 1 11 11 GLU HB3 H 1 2.095 0.02 . . . . . A 11 GLU HB3 . 19654 1 125 . 1 1 11 11 GLU HG2 H 1 2.220 0.02 . . . . . A 11 GLU HG2 . 19654 1 126 . 1 1 11 11 GLU HG3 H 1 2.138 0.02 . . . . . A 11 GLU HG3 . 19654 1 127 . 1 1 11 11 GLU CA C 13 59.627 0.5 . . . . . A 11 GLU CA . 19654 1 128 . 1 1 11 11 GLU CB C 13 29.298 0.5 . . . . . A 11 GLU CB . 19654 1 129 . 1 1 11 11 GLU CG C 13 36.335 0.5 . . . . . A 11 GLU CG . 19654 1 130 . 1 1 11 11 GLU N N 15 120.653 0.5 . . . . . A 11 GLU N . 19654 1 131 . 1 1 12 12 ILE H H 1 7.401 0.02 . . . . . A 12 ILE H . 19654 1 132 . 1 1 12 12 ILE HA H 1 3.121 0.02 . . . . . A 12 ILE HA . 19654 1 133 . 1 1 12 12 ILE HB H 1 0.931 0.02 . . . . . A 12 ILE HB . 19654 1 134 . 1 1 12 12 ILE HG12 H 1 1.452 0.02 . . . . . A 12 ILE HG12 . 19654 1 135 . 1 1 12 12 ILE HG13 H 1 0.479 0.02 . . . . . A 12 ILE HG13 . 19654 1 136 . 1 1 12 12 ILE HG21 H 1 -0.039 0.02 . . . . . A 12 ILE HG21 . 19654 1 137 . 1 1 12 12 ILE HG22 H 1 -0.039 0.02 . . . . . A 12 ILE HG22 . 19654 1 138 . 1 1 12 12 ILE HG23 H 1 -0.039 0.02 . . . . . A 12 ILE HG23 . 19654 1 139 . 1 1 12 12 ILE HD11 H 1 -0.577 0.02 . . . . . A 12 ILE HD11 . 19654 1 140 . 1 1 12 12 ILE HD12 H 1 -0.577 0.02 . . . . . A 12 ILE HD12 . 19654 1 141 . 1 1 12 12 ILE HD13 H 1 -0.577 0.02 . . . . . A 12 ILE HD13 . 19654 1 142 . 1 1 12 12 ILE CA C 13 65.774 0.5 . . . . . A 12 ILE CA . 19654 1 143 . 1 1 12 12 ILE CB C 13 39.143 0.5 . . . . . A 12 ILE CB . 19654 1 144 . 1 1 12 12 ILE CG1 C 13 28.840 0.5 . . . . . A 12 ILE CG1 . 19654 1 145 . 1 1 12 12 ILE CG2 C 13 16.584 0.5 . . . . . A 12 ILE CG2 . 19654 1 146 . 1 1 12 12 ILE CD1 C 13 13.204 0.5 . . . . . A 12 ILE CD1 . 19654 1 147 . 1 1 12 12 ILE N N 15 117.297 0.5 . . . . . A 12 ILE N . 19654 1 148 . 1 1 13 13 ILE H H 1 8.378 0.02 . . . . . A 13 ILE H . 19654 1 149 . 1 1 13 13 ILE HA H 1 3.302 0.02 . . . . . A 13 ILE HA . 19654 1 150 . 1 1 13 13 ILE HB H 1 1.844 0.02 . . . . . A 13 ILE HB . 19654 1 151 . 1 1 13 13 ILE HG12 H 1 1.834 0.02 . . . . . A 13 ILE HG12 . 19654 1 152 . 1 1 13 13 ILE HG13 H 1 0.699 0.02 . . . . . A 13 ILE HG13 . 19654 1 153 . 1 1 13 13 ILE HG21 H 1 0.879 0.02 . . . . . A 13 ILE HG21 . 19654 1 154 . 1 1 13 13 ILE HG22 H 1 0.879 0.02 . . . . . A 13 ILE HG22 . 19654 1 155 . 1 1 13 13 ILE HG23 H 1 0.879 0.02 . . . . . A 13 ILE HG23 . 19654 1 156 . 1 1 13 13 ILE HD11 H 1 0.875 0.02 . . . . . A 13 ILE HD11 . 19654 1 157 . 1 1 13 13 ILE HD12 H 1 0.875 0.02 . . . . . A 13 ILE HD12 . 19654 1 158 . 1 1 13 13 ILE HD13 H 1 0.875 0.02 . . . . . A 13 ILE HD13 . 19654 1 159 . 1 1 13 13 ILE CA C 13 66.420 0.5 . . . . . A 13 ILE CA . 19654 1 160 . 1 1 13 13 ILE CB C 13 37.714 0.5 . . . . . A 13 ILE CB . 19654 1 161 . 1 1 13 13 ILE CG1 C 13 31.045 0.5 . . . . . A 13 ILE CG1 . 19654 1 162 . 1 1 13 13 ILE CG2 C 13 17.275 0.5 . . . . . A 13 ILE CG2 . 19654 1 163 . 1 1 13 13 ILE CD1 C 13 13.156 0.5 . . . . . A 13 ILE CD1 . 19654 1 164 . 1 1 13 13 ILE N N 15 117.560 0.5 . . . . . A 13 ILE N . 19654 1 165 . 1 1 14 14 SER H H 1 9.048 0.02 . . . . . A 14 SER H . 19654 1 166 . 1 1 14 14 SER HA H 1 3.889 0.02 . . . . . A 14 SER HA . 19654 1 167 . 1 1 14 14 SER HB2 H 1 3.861 0.02 . . . . . A 14 SER HB2 . 19654 1 168 . 1 1 14 14 SER HB3 H 1 3.834 0.02 . . . . . A 14 SER HB3 . 19654 1 169 . 1 1 14 14 SER CA C 13 62.310 0.5 . . . . . A 14 SER CA . 19654 1 170 . 1 1 14 14 SER CB C 13 62.282 0.5 . . . . . A 14 SER CB . 19654 1 171 . 1 1 14 14 SER N N 15 113.892 0.5 . . . . . A 14 SER N . 19654 1 172 . 1 1 15 15 ARG H H 1 7.655 0.02 . . . . . A 15 ARG H . 19654 1 173 . 1 1 15 15 ARG HA H 1 4.033 0.02 . . . . . A 15 ARG HA . 19654 1 174 . 1 1 15 15 ARG HB2 H 1 2.002 0.02 . . . . . A 15 ARG HB2 . 19654 1 175 . 1 1 15 15 ARG HB3 H 1 1.775 0.02 . . . . . A 15 ARG HB3 . 19654 1 176 . 1 1 15 15 ARG HG2 H 1 1.978 0.02 . . . . . A 15 ARG HG2 . 19654 1 177 . 1 1 15 15 ARG HG3 H 1 1.704 0.02 . . . . . A 15 ARG HG3 . 19654 1 178 . 1 1 15 15 ARG HD2 H 1 3.156 0.02 . . . . . A 15 ARG HD2 . 19654 1 179 . 1 1 15 15 ARG HD3 H 1 3.016 0.02 . . . . . A 15 ARG HD3 . 19654 1 180 . 1 1 15 15 ARG HE H 1 7.562 0.02 . . . . . A 15 ARG HE . 19654 1 181 . 1 1 15 15 ARG CA C 13 59.496 0.5 . . . . . A 15 ARG CA . 19654 1 182 . 1 1 15 15 ARG CB C 13 29.727 0.5 . . . . . A 15 ARG CB . 19654 1 183 . 1 1 15 15 ARG CG C 13 28.806 0.5 . . . . . A 15 ARG CG . 19654 1 184 . 1 1 15 15 ARG CD C 13 43.499 0.5 . . . . . A 15 ARG CD . 19654 1 185 . 1 1 15 15 ARG N N 15 118.890 0.5 . . . . . A 15 ARG N . 19654 1 186 . 1 1 15 15 ARG NE N 15 85.600 0.5 . . . . . A 15 ARG NE . 19654 1 187 . 1 1 16 16 TYR H H 1 8.351 0.02 . . . . . A 16 TYR H . 19654 1 188 . 1 1 16 16 TYR HA H 1 4.146 0.02 . . . . . A 16 TYR HA . 19654 1 189 . 1 1 16 16 TYR HB2 H 1 2.709 0.02 . . . . . A 16 TYR HB2 . 19654 1 190 . 1 1 16 16 TYR HB3 H 1 3.032 0.02 . . . . . A 16 TYR HB3 . 19654 1 191 . 1 1 16 16 TYR HD1 H 1 6.800 0.02 . . . . . A 16 TYR HD1 . 19654 1 192 . 1 1 16 16 TYR HD2 H 1 6.800 0.02 . . . . . A 16 TYR HD2 . 19654 1 193 . 1 1 16 16 TYR HE1 H 1 6.558 0.02 . . . . . A 16 TYR HE1 . 19654 1 194 . 1 1 16 16 TYR HE2 H 1 6.558 0.02 . . . . . A 16 TYR HE2 . 19654 1 195 . 1 1 16 16 TYR CA C 13 61.265 0.5 . . . . . A 16 TYR CA . 19654 1 196 . 1 1 16 16 TYR CB C 13 38.495 0.5 . . . . . A 16 TYR CB . 19654 1 197 . 1 1 16 16 TYR CD1 C 13 132.121 0.5 . . . . . A 16 TYR CD1 . 19654 1 198 . 1 1 16 16 TYR CE1 C 13 117.294 0.5 . . . . . A 16 TYR CE1 . 19654 1 199 . 1 1 16 16 TYR N N 15 119.757 0.5 . . . . . A 16 TYR N . 19654 1 200 . 1 1 17 17 LEU H H 1 8.578 0.02 . . . . . A 17 LEU H . 19654 1 201 . 1 1 17 17 LEU HA H 1 3.375 0.02 . . . . . A 17 LEU HA . 19654 1 202 . 1 1 17 17 LEU HB2 H 1 1.301 0.02 . . . . . A 17 LEU HB2 . 19654 1 203 . 1 1 17 17 LEU HB3 H 1 1.703 0.02 . . . . . A 17 LEU HB3 . 19654 1 204 . 1 1 17 17 LEU HG H 1 1.699 0.02 . . . . . A 17 LEU HG . 19654 1 205 . 1 1 17 17 LEU HD11 H 1 0.921 0.02 . . . . . A 17 LEU HD11 . 19654 1 206 . 1 1 17 17 LEU HD12 H 1 0.921 0.02 . . . . . A 17 LEU HD12 . 19654 1 207 . 1 1 17 17 LEU HD13 H 1 0.921 0.02 . . . . . A 17 LEU HD13 . 19654 1 208 . 1 1 17 17 LEU HD21 H 1 0.630 0.02 . . . . . A 17 LEU HD21 . 19654 1 209 . 1 1 17 17 LEU HD22 H 1 0.630 0.02 . . . . . A 17 LEU HD22 . 19654 1 210 . 1 1 17 17 LEU HD23 H 1 0.630 0.02 . . . . . A 17 LEU HD23 . 19654 1 211 . 1 1 17 17 LEU CA C 13 59.627 0.5 . . . . . A 17 LEU CA . 19654 1 212 . 1 1 17 17 LEU CB C 13 39.949 0.5 . . . . . A 17 LEU CB . 19654 1 213 . 1 1 17 17 LEU CG C 13 29.734 0.5 . . . . . A 17 LEU CG . 19654 1 214 . 1 1 17 17 LEU CD1 C 13 22.863 0.5 . . . . . A 17 LEU CD1 . 19654 1 215 . 1 1 17 17 LEU CD2 C 13 24.124 0.5 . . . . . A 17 LEU CD2 . 19654 1 216 . 1 1 17 17 LEU N N 15 118.494 0.5 . . . . . A 17 LEU N . 19654 1 217 . 1 1 18 18 ARG H H 1 8.044 0.02 . . . . . A 18 ARG H . 19654 1 218 . 1 1 18 18 ARG HA H 1 3.858 0.02 . . . . . A 18 ARG HA . 19654 1 219 . 1 1 18 18 ARG HB2 H 1 1.890 0.02 . . . . . A 18 ARG HB2 . 19654 1 220 . 1 1 18 18 ARG HB3 H 1 1.890 0.02 . . . . . A 18 ARG HB3 . 19654 1 221 . 1 1 18 18 ARG HG2 H 1 1.700 0.02 . . . . . A 18 ARG HG2 . 19654 1 222 . 1 1 18 18 ARG HG3 H 1 1.615 0.02 . . . . . A 18 ARG HG3 . 19654 1 223 . 1 1 18 18 ARG HD2 H 1 3.204 0.02 . . . . . A 18 ARG HD2 . 19654 1 224 . 1 1 18 18 ARG HD3 H 1 3.125 0.02 . . . . . A 18 ARG HD3 . 19654 1 225 . 1 1 18 18 ARG HE H 1 7.604 0.02 . . . . . A 18 ARG HE . 19654 1 226 . 1 1 18 18 ARG CA C 13 60.233 0.5 . . . . . A 18 ARG CA . 19654 1 227 . 1 1 18 18 ARG CB C 13 29.993 0.5 . . . . . A 18 ARG CB . 19654 1 228 . 1 1 18 18 ARG CG C 13 28.432 0.5 . . . . . A 18 ARG CG . 19654 1 229 . 1 1 18 18 ARG CD C 13 43.094 0.5 . . . . . A 18 ARG CD . 19654 1 230 . 1 1 18 18 ARG N N 15 115.962 0.5 . . . . . A 18 ARG N . 19654 1 231 . 1 1 18 18 ARG NE N 15 84.061 0.5 . . . . . A 18 ARG NE . 19654 1 232 . 1 1 19 19 GLU H H 1 8.268 0.02 . . . . . A 19 GLU H . 19654 1 233 . 1 1 19 19 GLU HA H 1 4.153 0.02 . . . . . A 19 GLU HA . 19654 1 234 . 1 1 19 19 GLU HB2 H 1 2.126 0.02 . . . . . A 19 GLU HB2 . 19654 1 235 . 1 1 19 19 GLU HB3 H 1 1.994 0.02 . . . . . A 19 GLU HB3 . 19654 1 236 . 1 1 19 19 GLU HG2 H 1 2.379 0.02 . . . . . A 19 GLU HG2 . 19654 1 237 . 1 1 19 19 GLU HG3 H 1 2.244 0.02 . . . . . A 19 GLU HG3 . 19654 1 238 . 1 1 19 19 GLU CA C 13 58.857 0.5 . . . . . A 19 GLU CA . 19654 1 239 . 1 1 19 19 GLU CB C 13 29.661 0.5 . . . . . A 19 GLU CB . 19654 1 240 . 1 1 19 19 GLU CG C 13 36.004 0.5 . . . . . A 19 GLU CG . 19654 1 241 . 1 1 19 19 GLU N N 15 120.998 0.5 . . . . . A 19 GLU N . 19654 1 242 . 1 1 20 20 GLN H H 1 8.193 0.02 . . . . . A 20 GLN H . 19654 1 243 . 1 1 20 20 GLN HA H 1 3.715 0.02 . . . . . A 20 GLN HA . 19654 1 244 . 1 1 20 20 GLN HB2 H 1 1.814 0.02 . . . . . A 20 GLN HB2 . 19654 1 245 . 1 1 20 20 GLN HB3 H 1 1.843 0.02 . . . . . A 20 GLN HB3 . 19654 1 246 . 1 1 20 20 GLN HG2 H 1 1.591 0.02 . . . . . A 20 GLN HG2 . 19654 1 247 . 1 1 20 20 GLN HG3 H 1 1.121 0.02 . . . . . A 20 GLN HG3 . 19654 1 248 . 1 1 20 20 GLN HE21 H 1 7.070 0.02 . . . . . A 20 GLN HE21 . 19654 1 249 . 1 1 20 20 GLN HE22 H 1 7.471 0.02 . . . . . A 20 GLN HE22 . 19654 1 250 . 1 1 20 20 GLN CA C 13 58.008 0.5 . . . . . A 20 GLN CA . 19654 1 251 . 1 1 20 20 GLN CB C 13 28.666 0.5 . . . . . A 20 GLN CB . 19654 1 252 . 1 1 20 20 GLN CG C 13 35.041 0.5 . . . . . A 20 GLN CG . 19654 1 253 . 1 1 20 20 GLN N N 15 119.903 0.5 . . . . . A 20 GLN N . 19654 1 254 . 1 1 20 20 GLN NE2 N 15 116.984 0.5 . . . . . A 20 GLN NE2 . 19654 1 255 . 1 1 21 21 ALA H H 1 7.883 0.02 . . . . . A 21 ALA H . 19654 1 256 . 1 1 21 21 ALA HA H 1 3.985 0.02 . . . . . A 21 ALA HA . 19654 1 257 . 1 1 21 21 ALA HB1 H 1 1.311 0.02 . . . . . A 21 ALA HB1 . 19654 1 258 . 1 1 21 21 ALA HB2 H 1 1.311 0.02 . . . . . A 21 ALA HB2 . 19654 1 259 . 1 1 21 21 ALA HB3 H 1 1.311 0.02 . . . . . A 21 ALA HB3 . 19654 1 260 . 1 1 21 21 ALA CA C 13 54.397 0.5 . . . . . A 21 ALA CA . 19654 1 261 . 1 1 21 21 ALA CB C 13 20.022 0.5 . . . . . A 21 ALA CB . 19654 1 262 . 1 1 21 21 ALA N N 15 117.771 0.5 . . . . . A 21 ALA N . 19654 1 263 . 1 1 22 22 THR H H 1 8.024 0.02 . . . . . A 22 THR H . 19654 1 264 . 1 1 22 22 THR HA H 1 4.279 0.02 . . . . . A 22 THR HA . 19654 1 265 . 1 1 22 22 THR HB H 1 4.301 0.02 . . . . . A 22 THR HB . 19654 1 266 . 1 1 22 22 THR HG21 H 1 1.231 0.02 . . . . . A 22 THR HG21 . 19654 1 267 . 1 1 22 22 THR HG22 H 1 1.231 0.02 . . . . . A 22 THR HG22 . 19654 1 268 . 1 1 22 22 THR HG23 H 1 1.231 0.02 . . . . . A 22 THR HG23 . 19654 1 269 . 1 1 22 22 THR CA C 13 62.357 0.5 . . . . . A 22 THR CA . 19654 1 270 . 1 1 22 22 THR CB C 13 71.071 0.5 . . . . . A 22 THR CB . 19654 1 271 . 1 1 22 22 THR CG2 C 13 20.841 0.5 . . . . . A 22 THR CG2 . 19654 1 272 . 1 1 22 22 THR N N 15 103.721 0.5 . . . . . A 22 THR N . 19654 1 273 . 1 1 23 23 GLY H H 1 8.155 0.02 . . . . . A 23 GLY H . 19654 1 274 . 1 1 23 23 GLY HA2 H 1 3.740 0.02 . . . . . A 23 GLY HA2 . 19654 1 275 . 1 1 23 23 GLY HA3 H 1 4.124 0.02 . . . . . A 23 GLY HA3 . 19654 1 276 . 1 1 23 23 GLY CA C 13 45.574 0.5 . . . . . A 23 GLY CA . 19654 1 277 . 1 1 23 23 GLY N N 15 111.610 0.5 . . . . . A 23 GLY N . 19654 1 278 . 1 1 24 24 ALA H H 1 7.763 0.02 . . . . . A 24 ALA H . 19654 1 279 . 1 1 24 24 ALA HA H 1 4.526 0.02 . . . . . A 24 ALA HA . 19654 1 280 . 1 1 24 24 ALA HB1 H 1 1.210 0.02 . . . . . A 24 ALA HB1 . 19654 1 281 . 1 1 24 24 ALA HB2 H 1 1.210 0.02 . . . . . A 24 ALA HB2 . 19654 1 282 . 1 1 24 24 ALA HB3 H 1 1.210 0.02 . . . . . A 24 ALA HB3 . 19654 1 283 . 1 1 24 24 ALA CA C 13 50.763 0.5 . . . . . A 24 ALA CA . 19654 1 284 . 1 1 24 24 ALA CB C 13 20.186 0.5 . . . . . A 24 ALA CB . 19654 1 285 . 1 1 24 24 ALA N N 15 123.004 0.5 . . . . . A 24 ALA N . 19654 1 286 . 1 1 25 25 LYS H H 1 8.349 0.02 . . . . . A 25 LYS H . 19654 1 287 . 1 1 25 25 LYS HA H 1 4.181 0.02 . . . . . A 25 LYS HA . 19654 1 288 . 1 1 25 25 LYS HB2 H 1 1.604 0.02 . . . . . A 25 LYS HB2 . 19654 1 289 . 1 1 25 25 LYS HB3 H 1 1.604 0.02 . . . . . A 25 LYS HB3 . 19654 1 290 . 1 1 25 25 LYS HG2 H 1 1.387 0.02 . . . . . A 25 LYS HG2 . 19654 1 291 . 1 1 25 25 LYS HG3 H 1 1.270 0.02 . . . . . A 25 LYS HG3 . 19654 1 292 . 1 1 25 25 LYS HD2 H 1 1.568 0.02 . . . . . A 25 LYS HD2 . 19654 1 293 . 1 1 25 25 LYS HD3 H 1 1.568 0.02 . . . . . A 25 LYS HD3 . 19654 1 294 . 1 1 25 25 LYS HE2 H 1 2.871 0.02 . . . . . A 25 LYS HE2 . 19654 1 295 . 1 1 25 25 LYS HE3 H 1 2.871 0.02 . . . . . A 25 LYS HE3 . 19654 1 296 . 1 1 25 25 LYS CA C 13 55.729 0.5 . . . . . A 25 LYS CA . 19654 1 297 . 1 1 25 25 LYS CB C 13 33.175 0.5 . . . . . A 25 LYS CB . 19654 1 298 . 1 1 25 25 LYS CG C 13 24.743 0.5 . . . . . A 25 LYS CG . 19654 1 299 . 1 1 25 25 LYS CD C 13 29.235 0.5 . . . . . A 25 LYS CD . 19654 1 300 . 1 1 25 25 LYS CE C 13 41.800 0.5 . . . . . A 25 LYS CE . 19654 1 301 . 1 1 25 25 LYS N N 15 121.392 0.5 . . . . . A 25 LYS N . 19654 1 302 . 1 1 26 26 ASP H H 1 8.803 0.02 . . . . . A 26 ASP H . 19654 1 303 . 1 1 26 26 ASP HA H 1 4.618 0.02 . . . . . A 26 ASP HA . 19654 1 304 . 1 1 26 26 ASP HB2 H 1 2.580 0.02 . . . . . A 26 ASP HB2 . 19654 1 305 . 1 1 26 26 ASP HB3 H 1 2.734 0.02 . . . . . A 26 ASP HB3 . 19654 1 306 . 1 1 26 26 ASP CA C 13 53.735 0.5 . . . . . A 26 ASP CA . 19654 1 307 . 1 1 26 26 ASP CB C 13 41.402 0.5 . . . . . A 26 ASP CB . 19654 1 308 . 1 1 26 26 ASP N N 15 124.433 0.5 . . . . . A 26 ASP N . 19654 1 309 . 1 1 27 27 THR H H 1 8.363 0.02 . . . . . A 27 THR H . 19654 1 310 . 1 1 27 27 THR HA H 1 4.249 0.02 . . . . . A 27 THR HA . 19654 1 311 . 1 1 27 27 THR HB H 1 4.425 0.02 . . . . . A 27 THR HB . 19654 1 312 . 1 1 27 27 THR HG21 H 1 1.142 0.02 . . . . . A 27 THR HG21 . 19654 1 313 . 1 1 27 27 THR HG22 H 1 1.142 0.02 . . . . . A 27 THR HG22 . 19654 1 314 . 1 1 27 27 THR HG23 H 1 1.142 0.02 . . . . . A 27 THR HG23 . 19654 1 315 . 1 1 27 27 THR CA C 13 61.268 0.5 . . . . . A 27 THR CA . 19654 1 316 . 1 1 27 27 THR CB C 13 68.993 0.5 . . . . . A 27 THR CB . 19654 1 317 . 1 1 27 27 THR CG2 C 13 21.000 0.5 . . . . . A 27 THR CG2 . 19654 1 318 . 1 1 27 27 THR N N 15 116.332 0.5 . . . . . A 27 THR N . 19654 1 319 . 1 1 28 28 LYS H H 1 8.346 0.02 . . . . . A 28 LYS H . 19654 1 320 . 1 1 28 28 LYS HA H 1 4.437 0.02 . . . . . A 28 LYS HA . 19654 1 321 . 1 1 28 28 LYS HB2 H 1 1.716 0.02 . . . . . A 28 LYS HB2 . 19654 1 322 . 1 1 28 28 LYS HB3 H 1 1.821 0.02 . . . . . A 28 LYS HB3 . 19654 1 323 . 1 1 28 28 LYS HG2 H 1 1.524 0.02 . . . . . A 28 LYS HG2 . 19654 1 324 . 1 1 28 28 LYS HG3 H 1 1.479 0.02 . . . . . A 28 LYS HG3 . 19654 1 325 . 1 1 28 28 LYS HD2 H 1 1.708 0.02 . . . . . A 28 LYS HD2 . 19654 1 326 . 1 1 28 28 LYS HD3 H 1 1.679 0.02 . . . . . A 28 LYS HD3 . 19654 1 327 . 1 1 28 28 LYS HE2 H 1 2.962 0.02 . . . . . A 28 LYS HE2 . 19654 1 328 . 1 1 28 28 LYS HE3 H 1 2.962 0.02 . . . . . A 28 LYS HE3 . 19654 1 329 . 1 1 28 28 LYS CA C 13 55.188 0.5 . . . . . A 28 LYS CA . 19654 1 330 . 1 1 28 28 LYS CB C 13 31.409 0.5 . . . . . A 28 LYS CB . 19654 1 331 . 1 1 28 28 LYS CG C 13 24.581 0.5 . . . . . A 28 LYS CG . 19654 1 332 . 1 1 28 28 LYS CD C 13 28.900 0.5 . . . . . A 28 LYS CD . 19654 1 333 . 1 1 28 28 LYS CE C 13 41.714 0.5 . . . . . A 28 LYS CE . 19654 1 334 . 1 1 28 28 LYS N N 15 125.551 0.5 . . . . . A 28 LYS N . 19654 1 335 . 1 1 29 29 PRO HA H 1 4.392 0.02 . . . . . A 29 PRO HA . 19654 1 336 . 1 1 29 29 PRO HB2 H 1 1.866 0.02 . . . . . A 29 PRO HB2 . 19654 1 337 . 1 1 29 29 PRO HB3 H 1 2.314 0.02 . . . . . A 29 PRO HB3 . 19654 1 338 . 1 1 29 29 PRO HG2 H 1 2.002 0.02 . . . . . A 29 PRO HG2 . 19654 1 339 . 1 1 29 29 PRO HG3 H 1 2.002 0.02 . . . . . A 29 PRO HG3 . 19654 1 340 . 1 1 29 29 PRO HD2 H 1 3.872 0.02 . . . . . A 29 PRO HD2 . 19654 1 341 . 1 1 29 29 PRO HD3 H 1 3.579 0.02 . . . . . A 29 PRO HD3 . 19654 1 342 . 1 1 29 29 PRO CA C 13 63.164 0.5 . . . . . A 29 PRO CA . 19654 1 343 . 1 1 29 29 PRO CB C 13 31.904 0.5 . . . . . A 29 PRO CB . 19654 1 344 . 1 1 29 29 PRO CG C 13 27.300 0.5 . . . . . A 29 PRO CG . 19654 1 345 . 1 1 29 29 PRO CD C 13 50.542 0.5 . . . . . A 29 PRO CD . 19654 1 346 . 1 1 30 30 MET H H 1 8.585 0.02 . . . . . A 30 MET H . 19654 1 347 . 1 1 30 30 MET HA H 1 4.381 0.02 . . . . . A 30 MET HA . 19654 1 348 . 1 1 30 30 MET HB2 H 1 1.856 0.02 . . . . . A 30 MET HB2 . 19654 1 349 . 1 1 30 30 MET HB3 H 1 2.072 0.02 . . . . . A 30 MET HB3 . 19654 1 350 . 1 1 30 30 MET HG2 H 1 2.493 0.02 . . . . . A 30 MET HG2 . 19654 1 351 . 1 1 30 30 MET HG3 H 1 2.402 0.02 . . . . . A 30 MET HG3 . 19654 1 352 . 1 1 30 30 MET HE1 H 1 1.851 0.02 . . . . . A 30 MET HE1 . 19654 1 353 . 1 1 30 30 MET HE2 H 1 1.851 0.02 . . . . . A 30 MET HE2 . 19654 1 354 . 1 1 30 30 MET HE3 H 1 1.851 0.02 . . . . . A 30 MET HE3 . 19654 1 355 . 1 1 30 30 MET CA C 13 55.229 0.5 . . . . . A 30 MET CA . 19654 1 356 . 1 1 30 30 MET CB C 13 33.819 0.5 . . . . . A 30 MET CB . 19654 1 357 . 1 1 30 30 MET CG C 13 32.767 0.5 . . . . . A 30 MET CG . 19654 1 358 . 1 1 30 30 MET CE C 13 17.543 0.5 . . . . . A 30 MET CE . 19654 1 359 . 1 1 30 30 MET N N 15 121.136 0.5 . . . . . A 30 MET N . 19654 1 360 . 1 1 31 31 GLY H H 1 8.930 0.02 . . . . . A 31 GLY H . 19654 1 361 . 1 1 31 31 GLY HA2 H 1 4.005 0.02 . . . . . A 31 GLY HA2 . 19654 1 362 . 1 1 31 31 GLY HA3 H 1 3.861 0.02 . . . . . A 31 GLY HA3 . 19654 1 363 . 1 1 31 31 GLY CA C 13 44.983 0.5 . . . . . A 31 GLY CA . 19654 1 364 . 1 1 31 31 GLY N N 15 109.849 0.5 . . . . . A 31 GLY N . 19654 1 365 . 1 1 32 32 ARG H H 1 8.447 0.02 . . . . . A 32 ARG H . 19654 1 366 . 1 1 32 32 ARG HA H 1 4.239 0.02 . . . . . A 32 ARG HA . 19654 1 367 . 1 1 32 32 ARG HB2 H 1 1.664 0.02 . . . . . A 32 ARG HB2 . 19654 1 368 . 1 1 32 32 ARG HB3 H 1 1.664 0.02 . . . . . A 32 ARG HB3 . 19654 1 369 . 1 1 32 32 ARG HG2 H 1 1.853 0.02 . . . . . A 32 ARG HG2 . 19654 1 370 . 1 1 32 32 ARG HG3 H 1 1.853 0.02 . . . . . A 32 ARG HG3 . 19654 1 371 . 1 1 32 32 ARG HD2 H 1 3.191 0.02 . . . . . A 32 ARG HD2 . 19654 1 372 . 1 1 32 32 ARG HD3 H 1 3.191 0.02 . . . . . A 32 ARG HD3 . 19654 1 373 . 1 1 32 32 ARG CA C 13 56.755 0.5 . . . . . A 32 ARG CA . 19654 1 374 . 1 1 32 32 ARG CB C 13 30.110 0.5 . . . . . A 32 ARG CB . 19654 1 375 . 1 1 32 32 ARG CG C 13 26.547 0.5 . . . . . A 32 ARG CG . 19654 1 376 . 1 1 32 32 ARG CD C 13 43.017 0.5 . . . . . A 32 ARG CD . 19654 1 377 . 1 1 32 32 ARG N N 15 121.001 0.5 . . . . . A 32 ARG N . 19654 1 378 . 1 1 33 33 SER H H 1 8.667 0.02 . . . . . A 33 SER H . 19654 1 379 . 1 1 33 33 SER HA H 1 4.386 0.02 . . . . . A 33 SER HA . 19654 1 380 . 1 1 33 33 SER HB2 H 1 4.008 0.02 . . . . . A 33 SER HB2 . 19654 1 381 . 1 1 33 33 SER HB3 H 1 3.941 0.02 . . . . . A 33 SER HB3 . 19654 1 382 . 1 1 33 33 SER CA C 13 58.502 0.5 . . . . . A 33 SER CA . 19654 1 383 . 1 1 33 33 SER CB C 13 62.609 0.5 . . . . . A 33 SER CB . 19654 1 384 . 1 1 33 33 SER N N 15 119.991 0.5 . . . . . A 33 SER N . 19654 1 385 . 1 1 34 34 GLY H H 1 8.216 0.02 . . . . . A 34 GLY H . 19654 1 386 . 1 1 34 34 GLY HA2 H 1 3.992 0.02 . . . . . A 34 GLY HA2 . 19654 1 387 . 1 1 34 34 GLY HA3 H 1 3.848 0.02 . . . . . A 34 GLY HA3 . 19654 1 388 . 1 1 34 34 GLY CA C 13 46.637 0.5 . . . . . A 34 GLY CA . 19654 1 389 . 1 1 34 34 GLY N N 15 108.582 0.5 . . . . . A 34 GLY N . 19654 1 390 . 1 1 35 35 ALA H H 1 8.506 0.02 . . . . . A 35 ALA H . 19654 1 391 . 1 1 35 35 ALA HA H 1 4.193 0.02 . . . . . A 35 ALA HA . 19654 1 392 . 1 1 35 35 ALA HB1 H 1 1.487 0.02 . . . . . A 35 ALA HB1 . 19654 1 393 . 1 1 35 35 ALA HB2 H 1 1.487 0.02 . . . . . A 35 ALA HB2 . 19654 1 394 . 1 1 35 35 ALA HB3 H 1 1.487 0.02 . . . . . A 35 ALA HB3 . 19654 1 395 . 1 1 35 35 ALA CA C 13 54.770 0.5 . . . . . A 35 ALA CA . 19654 1 396 . 1 1 35 35 ALA CB C 13 18.437 0.5 . . . . . A 35 ALA CB . 19654 1 397 . 1 1 35 35 ALA N N 15 123.445 0.5 . . . . . A 35 ALA N . 19654 1 398 . 1 1 36 36 THR H H 1 8.262 0.02 . . . . . A 36 THR H . 19654 1 399 . 1 1 36 36 THR HA H 1 3.919 0.02 . . . . . A 36 THR HA . 19654 1 400 . 1 1 36 36 THR HB H 1 4.092 0.02 . . . . . A 36 THR HB . 19654 1 401 . 1 1 36 36 THR HG21 H 1 1.205 0.02 . . . . . A 36 THR HG21 . 19654 1 402 . 1 1 36 36 THR HG22 H 1 1.205 0.02 . . . . . A 36 THR HG22 . 19654 1 403 . 1 1 36 36 THR HG23 H 1 1.205 0.02 . . . . . A 36 THR HG23 . 19654 1 404 . 1 1 36 36 THR CA C 13 67.249 0.5 . . . . . A 36 THR CA . 19654 1 405 . 1 1 36 36 THR CB C 13 68.225 0.5 . . . . . A 36 THR CB . 19654 1 406 . 1 1 36 36 THR CG2 C 13 21.598 0.5 . . . . . A 36 THR CG2 . 19654 1 407 . 1 1 36 36 THR N N 15 115.716 0.5 . . . . . A 36 THR N . 19654 1 408 . 1 1 37 37 SER H H 1 8.389 0.02 . . . . . A 37 SER H . 19654 1 409 . 1 1 37 37 SER HA H 1 3.869 0.02 . . . . . A 37 SER HA . 19654 1 410 . 1 1 37 37 SER HB2 H 1 3.856 0.02 . . . . . A 37 SER HB2 . 19654 1 411 . 1 1 37 37 SER HB3 H 1 3.623 0.02 . . . . . A 37 SER HB3 . 19654 1 412 . 1 1 37 37 SER CA C 13 62.333 0.5 . . . . . A 37 SER CA . 19654 1 413 . 1 1 37 37 SER CB C 13 62.333 0.5 . . . . . A 37 SER CB . 19654 1 414 . 1 1 37 37 SER N N 15 117.911 0.5 . . . . . A 37 SER N . 19654 1 415 . 1 1 38 38 ARG H H 1 8.278 0.02 . . . . . A 38 ARG H . 19654 1 416 . 1 1 38 38 ARG HA H 1 3.901 0.02 . . . . . A 38 ARG HA . 19654 1 417 . 1 1 38 38 ARG HB2 H 1 1.916 0.02 . . . . . A 38 ARG HB2 . 19654 1 418 . 1 1 38 38 ARG HB3 H 1 1.916 0.02 . . . . . A 38 ARG HB3 . 19654 1 419 . 1 1 38 38 ARG HG2 H 1 1.714 0.02 . . . . . A 38 ARG HG2 . 19654 1 420 . 1 1 38 38 ARG HG3 H 1 1.542 0.02 . . . . . A 38 ARG HG3 . 19654 1 421 . 1 1 38 38 ARG HD2 H 1 3.201 0.02 . . . . . A 38 ARG HD2 . 19654 1 422 . 1 1 38 38 ARG HD3 H 1 3.201 0.02 . . . . . A 38 ARG HD3 . 19654 1 423 . 1 1 38 38 ARG CA C 13 59.923 0.5 . . . . . A 38 ARG CA . 19654 1 424 . 1 1 38 38 ARG CB C 13 29.759 0.5 . . . . . A 38 ARG CB . 19654 1 425 . 1 1 38 38 ARG CG C 13 27.463 0.5 . . . . . A 38 ARG CG . 19654 1 426 . 1 1 38 38 ARG CD C 13 43.125 0.5 . . . . . A 38 ARG CD . 19654 1 427 . 1 1 38 38 ARG N N 15 120.924 0.5 . . . . . A 38 ARG N . 19654 1 428 . 1 1 39 39 LYS H H 1 7.930 0.02 . . . . . A 39 LYS H . 19654 1 429 . 1 1 39 39 LYS HA H 1 4.151 0.02 . . . . . A 39 LYS HA . 19654 1 430 . 1 1 39 39 LYS HB2 H 1 2.025 0.02 . . . . . A 39 LYS HB2 . 19654 1 431 . 1 1 39 39 LYS HB3 H 1 1.923 0.02 . . . . . A 39 LYS HB3 . 19654 1 432 . 1 1 39 39 LYS HG2 H 1 1.506 0.02 . . . . . A 39 LYS HG2 . 19654 1 433 . 1 1 39 39 LYS HG3 H 1 1.506 0.02 . . . . . A 39 LYS HG3 . 19654 1 434 . 1 1 39 39 LYS HD2 H 1 1.699 0.02 . . . . . A 39 LYS HD2 . 19654 1 435 . 1 1 39 39 LYS HD3 H 1 1.699 0.02 . . . . . A 39 LYS HD3 . 19654 1 436 . 1 1 39 39 LYS HE2 H 1 2.944 0.02 . . . . . A 39 LYS HE2 . 19654 1 437 . 1 1 39 39 LYS HE3 H 1 2.944 0.02 . . . . . A 39 LYS HE3 . 19654 1 438 . 1 1 39 39 LYS CA C 13 59.086 0.5 . . . . . A 39 LYS CA . 19654 1 439 . 1 1 39 39 LYS CB C 13 32.807 0.5 . . . . . A 39 LYS CB . 19654 1 440 . 1 1 39 39 LYS CG C 13 25.696 0.5 . . . . . A 39 LYS CG . 19654 1 441 . 1 1 39 39 LYS CD C 13 29.247 0.5 . . . . . A 39 LYS CD . 19654 1 442 . 1 1 39 39 LYS CE C 13 41.800 0.5 . . . . . A 39 LYS CE . 19654 1 443 . 1 1 39 39 LYS N N 15 119.172 0.5 . . . . . A 39 LYS N . 19654 1 444 . 1 1 40 40 ALA H H 1 9.192 0.02 . . . . . A 40 ALA H . 19654 1 445 . 1 1 40 40 ALA HA H 1 4.175 0.02 . . . . . A 40 ALA HA . 19654 1 446 . 1 1 40 40 ALA HB1 H 1 1.497 0.02 . . . . . A 40 ALA HB1 . 19654 1 447 . 1 1 40 40 ALA HB2 H 1 1.497 0.02 . . . . . A 40 ALA HB2 . 19654 1 448 . 1 1 40 40 ALA HB3 H 1 1.497 0.02 . . . . . A 40 ALA HB3 . 19654 1 449 . 1 1 40 40 ALA CA C 13 55.633 0.5 . . . . . A 40 ALA CA . 19654 1 450 . 1 1 40 40 ALA CB C 13 18.675 0.5 . . . . . A 40 ALA CB . 19654 1 451 . 1 1 40 40 ALA N N 15 125.586 0.5 . . . . . A 40 ALA N . 19654 1 452 . 1 1 41 41 LEU H H 1 8.209 0.02 . . . . . A 41 LEU H . 19654 1 453 . 1 1 41 41 LEU HA H 1 3.930 0.02 . . . . . A 41 LEU HA . 19654 1 454 . 1 1 41 41 LEU HB2 H 1 1.913 0.02 . . . . . A 41 LEU HB2 . 19654 1 455 . 1 1 41 41 LEU HB3 H 1 1.471 0.02 . . . . . A 41 LEU HB3 . 19654 1 456 . 1 1 41 41 LEU HG H 1 1.527 0.02 . . . . . A 41 LEU HG . 19654 1 457 . 1 1 41 41 LEU HD11 H 1 0.963 0.02 . . . . . A 41 LEU HD11 . 19654 1 458 . 1 1 41 41 LEU HD12 H 1 0.963 0.02 . . . . . A 41 LEU HD12 . 19654 1 459 . 1 1 41 41 LEU HD13 H 1 0.963 0.02 . . . . . A 41 LEU HD13 . 19654 1 460 . 1 1 41 41 LEU HD21 H 1 0.953 0.02 . . . . . A 41 LEU HD21 . 19654 1 461 . 1 1 41 41 LEU HD22 H 1 0.953 0.02 . . . . . A 41 LEU HD22 . 19654 1 462 . 1 1 41 41 LEU HD23 H 1 0.953 0.02 . . . . . A 41 LEU HD23 . 19654 1 463 . 1 1 41 41 LEU CA C 13 58.169 0.5 . . . . . A 41 LEU CA . 19654 1 464 . 1 1 41 41 LEU CB C 13 41.683 0.5 . . . . . A 41 LEU CB . 19654 1 465 . 1 1 41 41 LEU CG C 13 27.447 0.5 . . . . . A 41 LEU CG . 19654 1 466 . 1 1 41 41 LEU CD1 C 13 23.402 0.5 . . . . . A 41 LEU CD1 . 19654 1 467 . 1 1 41 41 LEU CD2 C 13 26.484 0.5 . . . . . A 41 LEU CD2 . 19654 1 468 . 1 1 41 41 LEU N N 15 120.080 0.5 . . . . . A 41 LEU N . 19654 1 469 . 1 1 42 42 GLU H H 1 8.197 0.02 . . . . . A 42 GLU H . 19654 1 470 . 1 1 42 42 GLU HA H 1 3.977 0.02 . . . . . A 42 GLU HA . 19654 1 471 . 1 1 42 42 GLU HB2 H 1 2.211 0.02 . . . . . A 42 GLU HB2 . 19654 1 472 . 1 1 42 42 GLU HB3 H 1 2.048 0.02 . . . . . A 42 GLU HB3 . 19654 1 473 . 1 1 42 42 GLU HG2 H 1 2.399 0.02 . . . . . A 42 GLU HG2 . 19654 1 474 . 1 1 42 42 GLU HG3 H 1 2.357 0.02 . . . . . A 42 GLU HG3 . 19654 1 475 . 1 1 42 42 GLU CA C 13 59.335 0.5 . . . . . A 42 GLU CA . 19654 1 476 . 1 1 42 42 GLU CB C 13 29.176 0.5 . . . . . A 42 GLU CB . 19654 1 477 . 1 1 42 42 GLU CG C 13 35.741 0.5 . . . . . A 42 GLU CG . 19654 1 478 . 1 1 42 42 GLU N N 15 117.875 0.5 . . . . . A 42 GLU N . 19654 1 479 . 1 1 43 43 THR H H 1 8.183 0.02 . . . . . A 43 THR H . 19654 1 480 . 1 1 43 43 THR HA H 1 3.793 0.02 . . . . . A 43 THR HA . 19654 1 481 . 1 1 43 43 THR HB H 1 4.542 0.02 . . . . . A 43 THR HB . 19654 1 482 . 1 1 43 43 THR HG21 H 1 0.689 0.02 . . . . . A 43 THR HG21 . 19654 1 483 . 1 1 43 43 THR HG22 H 1 0.689 0.02 . . . . . A 43 THR HG22 . 19654 1 484 . 1 1 43 43 THR HG23 H 1 0.689 0.02 . . . . . A 43 THR HG23 . 19654 1 485 . 1 1 43 43 THR CA C 13 67.517 0.5 . . . . . A 43 THR CA . 19654 1 486 . 1 1 43 43 THR CB C 13 68.089 0.5 . . . . . A 43 THR CB . 19654 1 487 . 1 1 43 43 THR CG2 C 13 22.370 0.5 . . . . . A 43 THR CG2 . 19654 1 488 . 1 1 43 43 THR N N 15 116.912 0.5 . . . . . A 43 THR N . 19654 1 489 . 1 1 44 44 LEU H H 1 8.509 0.02 . . . . . A 44 LEU H . 19654 1 490 . 1 1 44 44 LEU HA H 1 3.699 0.02 . . . . . A 44 LEU HA . 19654 1 491 . 1 1 44 44 LEU HB2 H 1 0.536 0.02 . . . . . A 44 LEU HB2 . 19654 1 492 . 1 1 44 44 LEU HB3 H 1 1.502 0.02 . . . . . A 44 LEU HB3 . 19654 1 493 . 1 1 44 44 LEU HG H 1 1.177 0.02 . . . . . A 44 LEU HG . 19654 1 494 . 1 1 44 44 LEU HD11 H 1 0.416 0.02 . . . . . A 44 LEU HD11 . 19654 1 495 . 1 1 44 44 LEU HD12 H 1 0.416 0.02 . . . . . A 44 LEU HD12 . 19654 1 496 . 1 1 44 44 LEU HD13 H 1 0.416 0.02 . . . . . A 44 LEU HD13 . 19654 1 497 . 1 1 44 44 LEU HD21 H 1 0.469 0.02 . . . . . A 44 LEU HD21 . 19654 1 498 . 1 1 44 44 LEU HD22 H 1 0.469 0.02 . . . . . A 44 LEU HD22 . 19654 1 499 . 1 1 44 44 LEU HD23 H 1 0.469 0.02 . . . . . A 44 LEU HD23 . 19654 1 500 . 1 1 44 44 LEU CA C 13 58.261 0.5 . . . . . A 44 LEU CA . 19654 1 501 . 1 1 44 44 LEU CB C 13 40.988 0.5 . . . . . A 44 LEU CB . 19654 1 502 . 1 1 44 44 LEU CG C 13 26.585 0.5 . . . . . A 44 LEU CG . 19654 1 503 . 1 1 44 44 LEU CD1 C 13 23.908 0.5 . . . . . A 44 LEU CD1 . 19654 1 504 . 1 1 44 44 LEU CD2 C 13 23.872 0.5 . . . . . A 44 LEU CD2 . 19654 1 505 . 1 1 44 44 LEU N N 15 123.099 0.5 . . . . . A 44 LEU N . 19654 1 506 . 1 1 45 45 ARG H H 1 8.398 0.02 . . . . . A 45 ARG H . 19654 1 507 . 1 1 45 45 ARG HA H 1 4.125 0.02 . . . . . A 45 ARG HA . 19654 1 508 . 1 1 45 45 ARG HB2 H 1 1.953 0.02 . . . . . A 45 ARG HB2 . 19654 1 509 . 1 1 45 45 ARG HB3 H 1 1.953 0.02 . . . . . A 45 ARG HB3 . 19654 1 510 . 1 1 45 45 ARG HG2 H 1 1.960 0.02 . . . . . A 45 ARG HG2 . 19654 1 511 . 1 1 45 45 ARG HG3 H 1 1.796 0.02 . . . . . A 45 ARG HG3 . 19654 1 512 . 1 1 45 45 ARG HD2 H 1 3.110 0.02 . . . . . A 45 ARG HD2 . 19654 1 513 . 1 1 45 45 ARG HD3 H 1 3.110 0.02 . . . . . A 45 ARG HD3 . 19654 1 514 . 1 1 45 45 ARG HE H 1 9.799 0.02 . . . . . A 45 ARG HE . 19654 1 515 . 1 1 45 45 ARG CA C 13 59.617 0.5 . . . . . A 45 ARG CA . 19654 1 516 . 1 1 45 45 ARG CB C 13 30.423 0.5 . . . . . A 45 ARG CB . 19654 1 517 . 1 1 45 45 ARG CG C 13 27.979 0.5 . . . . . A 45 ARG CG . 19654 1 518 . 1 1 45 45 ARG CD C 13 43.922 0.5 . . . . . A 45 ARG CD . 19654 1 519 . 1 1 45 45 ARG N N 15 116.885 0.5 . . . . . A 45 ARG N . 19654 1 520 . 1 1 45 45 ARG NE N 15 87.139 0.5 . . . . . A 45 ARG NE . 19654 1 521 . 1 1 46 46 ARG H H 1 7.421 0.02 . . . . . A 46 ARG H . 19654 1 522 . 1 1 46 46 ARG HA H 1 4.229 0.02 . . . . . A 46 ARG HA . 19654 1 523 . 1 1 46 46 ARG HB2 H 1 2.001 0.02 . . . . . A 46 ARG HB2 . 19654 1 524 . 1 1 46 46 ARG HB3 H 1 1.932 0.02 . . . . . A 46 ARG HB3 . 19654 1 525 . 1 1 46 46 ARG HG2 H 1 1.682 0.02 . . . . . A 46 ARG HG2 . 19654 1 526 . 1 1 46 46 ARG HG3 H 1 1.616 0.02 . . . . . A 46 ARG HG3 . 19654 1 527 . 1 1 46 46 ARG HD2 H 1 3.286 0.02 . . . . . A 46 ARG HD2 . 19654 1 528 . 1 1 46 46 ARG HD3 H 1 3.195 0.02 . . . . . A 46 ARG HD3 . 19654 1 529 . 1 1 46 46 ARG HE H 1 7.702 0.02 . . . . . A 46 ARG HE . 19654 1 530 . 1 1 46 46 ARG CA C 13 58.427 0.5 . . . . . A 46 ARG CA . 19654 1 531 . 1 1 46 46 ARG CB C 13 30.408 0.5 . . . . . A 46 ARG CB . 19654 1 532 . 1 1 46 46 ARG CG C 13 26.739 0.5 . . . . . A 46 ARG CG . 19654 1 533 . 1 1 46 46 ARG CD C 13 42.910 0.5 . . . . . A 46 ARG CD . 19654 1 534 . 1 1 46 46 ARG N N 15 117.297 0.5 . . . . . A 46 ARG N . 19654 1 535 . 1 1 46 46 ARG NE N 15 85.083 0.5 . . . . . A 46 ARG NE . 19654 1 536 . 1 1 47 47 VAL H H 1 8.515 0.02 . . . . . A 47 VAL H . 19654 1 537 . 1 1 47 47 VAL HA H 1 4.094 0.02 . . . . . A 47 VAL HA . 19654 1 538 . 1 1 47 47 VAL HB H 1 1.826 0.02 . . . . . A 47 VAL HB . 19654 1 539 . 1 1 47 47 VAL HG11 H 1 0.568 0.02 . . . . . A 47 VAL HG11 . 19654 1 540 . 1 1 47 47 VAL HG12 H 1 0.568 0.02 . . . . . A 47 VAL HG12 . 19654 1 541 . 1 1 47 47 VAL HG13 H 1 0.568 0.02 . . . . . A 47 VAL HG13 . 19654 1 542 . 1 1 47 47 VAL HG21 H 1 0.445 0.02 . . . . . A 47 VAL HG21 . 19654 1 543 . 1 1 47 47 VAL HG22 H 1 0.445 0.02 . . . . . A 47 VAL HG22 . 19654 1 544 . 1 1 47 47 VAL HG23 H 1 0.445 0.02 . . . . . A 47 VAL HG23 . 19654 1 545 . 1 1 47 47 VAL CA C 13 63.242 0.5 . . . . . A 47 VAL CA . 19654 1 546 . 1 1 47 47 VAL CB C 13 32.378 0.5 . . . . . A 47 VAL CB . 19654 1 547 . 1 1 47 47 VAL CG1 C 13 20.921 0.5 . . . . . A 47 VAL CG1 . 19654 1 548 . 1 1 47 47 VAL CG2 C 13 19.562 0.5 . . . . . A 47 VAL CG2 . 19654 1 549 . 1 1 47 47 VAL N N 15 114.304 0.5 . . . . . A 47 VAL N . 19654 1 550 . 1 1 48 48 GLY H H 1 8.890 0.02 . . . . . A 48 GLY H . 19654 1 551 . 1 1 48 48 GLY HA2 H 1 4.156 0.02 . . . . . A 48 GLY HA2 . 19654 1 552 . 1 1 48 48 GLY HA3 H 1 3.724 0.02 . . . . . A 48 GLY HA3 . 19654 1 553 . 1 1 48 48 GLY CA C 13 46.588 0.5 . . . . . A 48 GLY CA . 19654 1 554 . 1 1 48 48 GLY N N 15 110.132 0.5 . . . . . A 48 GLY N . 19654 1 555 . 1 1 49 49 ASP H H 1 7.392 0.02 . . . . . A 49 ASP H . 19654 1 556 . 1 1 49 49 ASP HA H 1 4.456 0.02 . . . . . A 49 ASP HA . 19654 1 557 . 1 1 49 49 ASP HB2 H 1 2.662 0.02 . . . . . A 49 ASP HB2 . 19654 1 558 . 1 1 49 49 ASP HB3 H 1 2.832 0.02 . . . . . A 49 ASP HB3 . 19654 1 559 . 1 1 49 49 ASP CA C 13 57.787 0.5 . . . . . A 49 ASP CA . 19654 1 560 . 1 1 49 49 ASP CB C 13 40.912 0.5 . . . . . A 49 ASP CB . 19654 1 561 . 1 1 49 49 ASP N N 15 121.292 0.5 . . . . . A 49 ASP N . 19654 1 562 . 1 1 50 50 GLY H H 1 8.132 0.02 . . . . . A 50 GLY H . 19654 1 563 . 1 1 50 50 GLY HA2 H 1 3.968 0.02 . . . . . A 50 GLY HA2 . 19654 1 564 . 1 1 50 50 GLY HA3 H 1 3.829 0.02 . . . . . A 50 GLY HA3 . 19654 1 565 . 1 1 50 50 GLY CA C 13 46.932 0.5 . . . . . A 50 GLY CA . 19654 1 566 . 1 1 50 50 GLY N N 15 106.682 0.5 . . . . . A 50 GLY N . 19654 1 567 . 1 1 51 51 VAL H H 1 7.476 0.02 . . . . . A 51 VAL H . 19654 1 568 . 1 1 51 51 VAL HA H 1 3.944 0.02 . . . . . A 51 VAL HA . 19654 1 569 . 1 1 51 51 VAL HB H 1 2.265 0.02 . . . . . A 51 VAL HB . 19654 1 570 . 1 1 51 51 VAL HG11 H 1 1.014 0.02 . . . . . A 51 VAL HG11 . 19654 1 571 . 1 1 51 51 VAL HG12 H 1 1.014 0.02 . . . . . A 51 VAL HG12 . 19654 1 572 . 1 1 51 51 VAL HG13 H 1 1.014 0.02 . . . . . A 51 VAL HG13 . 19654 1 573 . 1 1 51 51 VAL HG21 H 1 1.102 0.02 . . . . . A 51 VAL HG21 . 19654 1 574 . 1 1 51 51 VAL HG22 H 1 1.102 0.02 . . . . . A 51 VAL HG22 . 19654 1 575 . 1 1 51 51 VAL HG23 H 1 1.102 0.02 . . . . . A 51 VAL HG23 . 19654 1 576 . 1 1 51 51 VAL CA C 13 66.355 0.5 . . . . . A 51 VAL CA . 19654 1 577 . 1 1 51 51 VAL CB C 13 31.594 0.5 . . . . . A 51 VAL CB . 19654 1 578 . 1 1 51 51 VAL CG1 C 13 22.739 0.5 . . . . . A 51 VAL CG1 . 19654 1 579 . 1 1 51 51 VAL CG2 C 13 22.519 0.5 . . . . . A 51 VAL CG2 . 19654 1 580 . 1 1 51 51 VAL N N 15 121.747 0.5 . . . . . A 51 VAL N . 19654 1 581 . 1 1 52 52 GLN H H 1 8.439 0.02 . . . . . A 52 GLN H . 19654 1 582 . 1 1 52 52 GLN HA H 1 3.913 0.02 . . . . . A 52 GLN HA . 19654 1 583 . 1 1 52 52 GLN HB2 H 1 2.456 0.02 . . . . . A 52 GLN HB2 . 19654 1 584 . 1 1 52 52 GLN HB3 H 1 2.386 0.02 . . . . . A 52 GLN HB3 . 19654 1 585 . 1 1 52 52 GLN HG2 H 1 2.832 0.02 . . . . . A 52 GLN HG2 . 19654 1 586 . 1 1 52 52 GLN HG3 H 1 2.447 0.02 . . . . . A 52 GLN HG3 . 19654 1 587 . 1 1 52 52 GLN HE21 H 1 6.993 0.02 . . . . . A 52 GLN HE21 . 19654 1 588 . 1 1 52 52 GLN HE22 H 1 6.864 0.02 . . . . . A 52 GLN HE22 . 19654 1 589 . 1 1 52 52 GLN CA C 13 60.391 0.5 . . . . . A 52 GLN CA . 19654 1 590 . 1 1 52 52 GLN CB C 13 29.682 0.5 . . . . . A 52 GLN CB . 19654 1 591 . 1 1 52 52 GLN CG C 13 36.280 0.5 . . . . . A 52 GLN CG . 19654 1 592 . 1 1 52 52 GLN N N 15 118.494 0.5 . . . . . A 52 GLN N . 19654 1 593 . 1 1 52 52 GLN NE2 N 15 110.457 0.5 . . . . . A 52 GLN NE2 . 19654 1 594 . 1 1 53 53 ARG H H 1 7.873 0.02 . . . . . A 53 ARG H . 19654 1 595 . 1 1 53 53 ARG HA H 1 4.163 0.02 . . . . . A 53 ARG HA . 19654 1 596 . 1 1 53 53 ARG HB2 H 1 1.936 0.02 . . . . . A 53 ARG HB2 . 19654 1 597 . 1 1 53 53 ARG HB3 H 1 1.936 0.02 . . . . . A 53 ARG HB3 . 19654 1 598 . 1 1 53 53 ARG HG2 H 1 1.813 0.02 . . . . . A 53 ARG HG2 . 19654 1 599 . 1 1 53 53 ARG HG3 H 1 1.673 0.02 . . . . . A 53 ARG HG3 . 19654 1 600 . 1 1 53 53 ARG HD2 H 1 3.242 0.02 . . . . . A 53 ARG HD2 . 19654 1 601 . 1 1 53 53 ARG HD3 H 1 3.242 0.02 . . . . . A 53 ARG HD3 . 19654 1 602 . 1 1 53 53 ARG CA C 13 59.086 0.5 . . . . . A 53 ARG CA . 19654 1 603 . 1 1 53 53 ARG CB C 13 30.009 0.5 . . . . . A 53 ARG CB . 19654 1 604 . 1 1 53 53 ARG CG C 13 27.463 0.5 . . . . . A 53 ARG CG . 19654 1 605 . 1 1 53 53 ARG CD C 13 43.071 0.5 . . . . . A 53 ARG CD . 19654 1 606 . 1 1 53 53 ARG N N 15 116.807 0.5 . . . . . A 53 ARG N . 19654 1 607 . 1 1 54 54 ASN H H 1 8.123 0.02 . . . . . A 54 ASN H . 19654 1 608 . 1 1 54 54 ASN HA H 1 4.448 0.02 . . . . . A 54 ASN HA . 19654 1 609 . 1 1 54 54 ASN HB2 H 1 2.802 0.02 . . . . . A 54 ASN HB2 . 19654 1 610 . 1 1 54 54 ASN HB3 H 1 2.556 0.02 . . . . . A 54 ASN HB3 . 19654 1 611 . 1 1 54 54 ASN HD21 H 1 6.851 0.02 . . . . . A 54 ASN HD21 . 19654 1 612 . 1 1 54 54 ASN HD22 H 1 7.360 0.02 . . . . . A 54 ASN HD22 . 19654 1 613 . 1 1 54 54 ASN CA C 13 54.694 0.5 . . . . . A 54 ASN CA . 19654 1 614 . 1 1 54 54 ASN CB C 13 38.302 0.5 . . . . . A 54 ASN CB . 19654 1 615 . 1 1 54 54 ASN N N 15 116.356 0.5 . . . . . A 54 ASN N . 19654 1 616 . 1 1 54 54 ASN ND2 N 15 111.757 0.5 . . . . . A 54 ASN ND2 . 19654 1 617 . 1 1 55 55 HIS H H 1 7.558 0.02 . . . . . A 55 HIS H . 19654 1 618 . 1 1 55 55 HIS HA H 1 4.504 0.02 . . . . . A 55 HIS HA . 19654 1 619 . 1 1 55 55 HIS HB2 H 1 2.174 0.02 . . . . . A 55 HIS HB2 . 19654 1 620 . 1 1 55 55 HIS HB3 H 1 1.667 0.02 . . . . . A 55 HIS HB3 . 19654 1 621 . 1 1 55 55 HIS HD2 H 1 7.094 0.02 . . . . . A 55 HIS HD2 . 19654 1 622 . 1 1 55 55 HIS HE1 H 1 8.070 0.02 . . . . . A 55 HIS HE1 . 19654 1 623 . 1 1 55 55 HIS CA C 13 55.949 0.5 . . . . . A 55 HIS CA . 19654 1 624 . 1 1 55 55 HIS CB C 13 28.341 0.5 . . . . . A 55 HIS CB . 19654 1 625 . 1 1 55 55 HIS CD2 C 13 121.453 0.5 . . . . . A 55 HIS CD2 . 19654 1 626 . 1 1 55 55 HIS CE1 C 13 135.848 0.5 . . . . . A 55 HIS CE1 . 19654 1 627 . 1 1 55 55 HIS N N 15 114.809 0.5 . . . . . A 55 HIS N . 19654 1 628 . 1 1 56 56 GLU H H 1 7.071 0.02 . . . . . A 56 GLU H . 19654 1 629 . 1 1 56 56 GLU HA H 1 3.640 0.02 . . . . . A 56 GLU HA . 19654 1 630 . 1 1 56 56 GLU HB2 H 1 2.069 0.02 . . . . . A 56 GLU HB2 . 19654 1 631 . 1 1 56 56 GLU HB3 H 1 2.395 0.02 . . . . . A 56 GLU HB3 . 19654 1 632 . 1 1 56 56 GLU HG2 H 1 2.415 0.02 . . . . . A 56 GLU HG2 . 19654 1 633 . 1 1 56 56 GLU HG3 H 1 2.321 0.02 . . . . . A 56 GLU HG3 . 19654 1 634 . 1 1 56 56 GLU CA C 13 61.360 0.5 . . . . . A 56 GLU CA . 19654 1 635 . 1 1 56 56 GLU CB C 13 30.006 0.5 . . . . . A 56 GLU CB . 19654 1 636 . 1 1 56 56 GLU CG C 13 36.000 0.5 . . . . . A 56 GLU CG . 19654 1 637 . 1 1 56 56 GLU N N 15 121.943 0.5 . . . . . A 56 GLU N . 19654 1 638 . 1 1 57 57 THR H H 1 8.324 0.02 . . . . . A 57 THR H . 19654 1 639 . 1 1 57 57 THR HA H 1 3.984 0.02 . . . . . A 57 THR HA . 19654 1 640 . 1 1 57 57 THR HB H 1 4.084 0.02 . . . . . A 57 THR HB . 19654 1 641 . 1 1 57 57 THR HG21 H 1 1.237 0.02 . . . . . A 57 THR HG21 . 19654 1 642 . 1 1 57 57 THR HG22 H 1 1.237 0.02 . . . . . A 57 THR HG22 . 19654 1 643 . 1 1 57 57 THR HG23 H 1 1.237 0.02 . . . . . A 57 THR HG23 . 19654 1 644 . 1 1 57 57 THR CA C 13 66.247 0.5 . . . . . A 57 THR CA . 19654 1 645 . 1 1 57 57 THR CB C 13 68.002 0.5 . . . . . A 57 THR CB . 19654 1 646 . 1 1 57 57 THR CG2 C 13 22.015 0.5 . . . . . A 57 THR CG2 . 19654 1 647 . 1 1 57 57 THR N N 15 112.827 0.5 . . . . . A 57 THR N . 19654 1 648 . 1 1 58 58 ALA H H 1 7.910 0.02 . . . . . A 58 ALA H . 19654 1 649 . 1 1 58 58 ALA HA H 1 4.147 0.02 . . . . . A 58 ALA HA . 19654 1 650 . 1 1 58 58 ALA HB1 H 1 1.417 0.02 . . . . . A 58 ALA HB1 . 19654 1 651 . 1 1 58 58 ALA HB2 H 1 1.417 0.02 . . . . . A 58 ALA HB2 . 19654 1 652 . 1 1 58 58 ALA HB3 H 1 1.417 0.02 . . . . . A 58 ALA HB3 . 19654 1 653 . 1 1 58 58 ALA CA C 13 54.707 0.5 . . . . . A 58 ALA CA . 19654 1 654 . 1 1 58 58 ALA CB C 13 17.734 0.5 . . . . . A 58 ALA CB . 19654 1 655 . 1 1 58 58 ALA N N 15 126.520 0.5 . . . . . A 58 ALA N . 19654 1 656 . 1 1 59 59 PHE H H 1 9.017 0.02 . . . . . A 59 PHE H . 19654 1 657 . 1 1 59 59 PHE HA H 1 4.518 0.02 . . . . . A 59 PHE HA . 19654 1 658 . 1 1 59 59 PHE HB2 H 1 2.115 0.02 . . . . . A 59 PHE HB2 . 19654 1 659 . 1 1 59 59 PHE HB3 H 1 2.555 0.02 . . . . . A 59 PHE HB3 . 19654 1 660 . 1 1 59 59 PHE HD1 H 1 6.881 0.02 . . . . . A 59 PHE HD1 . 19654 1 661 . 1 1 59 59 PHE HD2 H 1 6.881 0.02 . . . . . A 59 PHE HD2 . 19654 1 662 . 1 1 59 59 PHE HE1 H 1 6.993 0.02 . . . . . A 59 PHE HE1 . 19654 1 663 . 1 1 59 59 PHE HE2 H 1 6.993 0.02 . . . . . A 59 PHE HE2 . 19654 1 664 . 1 1 59 59 PHE HZ H 1 7.109 0.02 . . . . . A 59 PHE HZ . 19654 1 665 . 1 1 59 59 PHE CA C 13 56.946 0.5 . . . . . A 59 PHE CA . 19654 1 666 . 1 1 59 59 PHE CB C 13 34.583 0.5 . . . . . A 59 PHE CB . 19654 1 667 . 1 1 59 59 PHE CD1 C 13 129.756 0.5 . . . . . A 59 PHE CD1 . 19654 1 668 . 1 1 59 59 PHE CE1 C 13 130.301 0.5 . . . . . A 59 PHE CE1 . 19654 1 669 . 1 1 59 59 PHE CZ C 13 128.873 0.5 . . . . . A 59 PHE CZ . 19654 1 670 . 1 1 59 59 PHE N N 15 119.326 0.5 . . . . . A 59 PHE N . 19654 1 671 . 1 1 60 60 GLN H H 1 8.678 0.02 . . . . . A 60 GLN H . 19654 1 672 . 1 1 60 60 GLN HA H 1 4.232 0.02 . . . . . A 60 GLN HA . 19654 1 673 . 1 1 60 60 GLN HB2 H 1 2.178 0.02 . . . . . A 60 GLN HB2 . 19654 1 674 . 1 1 60 60 GLN HB3 H 1 2.432 0.02 . . . . . A 60 GLN HB3 . 19654 1 675 . 1 1 60 60 GLN HG2 H 1 2.737 0.02 . . . . . A 60 GLN HG2 . 19654 1 676 . 1 1 60 60 GLN HG3 H 1 2.689 0.02 . . . . . A 60 GLN HG3 . 19654 1 677 . 1 1 60 60 GLN HE21 H 1 7.712 0.02 . . . . . A 60 GLN HE21 . 19654 1 678 . 1 1 60 60 GLN HE22 H 1 6.901 0.02 . . . . . A 60 GLN HE22 . 19654 1 679 . 1 1 60 60 GLN CA C 13 59.359 0.5 . . . . . A 60 GLN CA . 19654 1 680 . 1 1 60 60 GLN CB C 13 28.009 0.5 . . . . . A 60 GLN CB . 19654 1 681 . 1 1 60 60 GLN CG C 13 33.502 0.5 . . . . . A 60 GLN CG . 19654 1 682 . 1 1 60 60 GLN N N 15 119.670 0.5 . . . . . A 60 GLN N . 19654 1 683 . 1 1 60 60 GLN NE2 N 15 110.723 0.5 . . . . . A 60 GLN NE2 . 19654 1 684 . 1 1 61 61 GLY H H 1 7.975 0.02 . . . . . A 61 GLY H . 19654 1 685 . 1 1 61 61 GLY HA2 H 1 3.978 0.02 . . . . . A 61 GLY HA2 . 19654 1 686 . 1 1 61 61 GLY HA3 H 1 3.872 0.02 . . . . . A 61 GLY HA3 . 19654 1 687 . 1 1 61 61 GLY CA C 13 47.085 0.5 . . . . . A 61 GLY CA . 19654 1 688 . 1 1 61 61 GLY N N 15 106.140 0.5 . . . . . A 61 GLY N . 19654 1 689 . 1 1 62 62 MET H H 1 8.007 0.02 . . . . . A 62 MET H . 19654 1 690 . 1 1 62 62 MET HA H 1 4.080 0.02 . . . . . A 62 MET HA . 19654 1 691 . 1 1 62 62 MET HB2 H 1 1.898 0.02 . . . . . A 62 MET HB2 . 19654 1 692 . 1 1 62 62 MET HB3 H 1 2.192 0.02 . . . . . A 62 MET HB3 . 19654 1 693 . 1 1 62 62 MET HG2 H 1 2.570 0.02 . . . . . A 62 MET HG2 . 19654 1 694 . 1 1 62 62 MET HG3 H 1 2.350 0.02 . . . . . A 62 MET HG3 . 19654 1 695 . 1 1 62 62 MET HE1 H 1 1.449 0.02 . . . . . A 62 MET HE1 . 19654 1 696 . 1 1 62 62 MET HE2 H 1 1.449 0.02 . . . . . A 62 MET HE2 . 19654 1 697 . 1 1 62 62 MET HE3 H 1 1.449 0.02 . . . . . A 62 MET HE3 . 19654 1 698 . 1 1 62 62 MET CA C 13 58.752 0.5 . . . . . A 62 MET CA . 19654 1 699 . 1 1 62 62 MET CB C 13 33.824 0.5 . . . . . A 62 MET CB . 19654 1 700 . 1 1 62 62 MET CG C 13 32.031 0.5 . . . . . A 62 MET CG . 19654 1 701 . 1 1 62 62 MET CE C 13 15.894 0.5 . . . . . A 62 MET CE . 19654 1 702 . 1 1 62 62 MET N N 15 120.973 0.5 . . . . . A 62 MET N . 19654 1 703 . 1 1 63 63 LEU H H 1 8.394 0.02 . . . . . A 63 LEU H . 19654 1 704 . 1 1 63 63 LEU HA H 1 4.139 0.02 . . . . . A 63 LEU HA . 19654 1 705 . 1 1 63 63 LEU HB2 H 1 2.039 0.02 . . . . . A 63 LEU HB2 . 19654 1 706 . 1 1 63 63 LEU HB3 H 1 1.765 0.02 . . . . . A 63 LEU HB3 . 19654 1 707 . 1 1 63 63 LEU HG H 1 1.603 0.02 . . . . . A 63 LEU HG . 19654 1 708 . 1 1 63 63 LEU HD11 H 1 0.757 0.02 . . . . . A 63 LEU HD11 . 19654 1 709 . 1 1 63 63 LEU HD12 H 1 0.757 0.02 . . . . . A 63 LEU HD12 . 19654 1 710 . 1 1 63 63 LEU HD13 H 1 0.757 0.02 . . . . . A 63 LEU HD13 . 19654 1 711 . 1 1 63 63 LEU HD21 H 1 0.586 0.02 . . . . . A 63 LEU HD21 . 19654 1 712 . 1 1 63 63 LEU HD22 H 1 0.586 0.02 . . . . . A 63 LEU HD22 . 19654 1 713 . 1 1 63 63 LEU HD23 H 1 0.586 0.02 . . . . . A 63 LEU HD23 . 19654 1 714 . 1 1 63 63 LEU CA C 13 57.645 0.5 . . . . . A 63 LEU CA . 19654 1 715 . 1 1 63 63 LEU CB C 13 42.173 0.5 . . . . . A 63 LEU CB . 19654 1 716 . 1 1 63 63 LEU CG C 13 27.000 0.5 . . . . . A 63 LEU CG . 19654 1 717 . 1 1 63 63 LEU CD1 C 13 24.371 0.5 . . . . . A 63 LEU CD1 . 19654 1 718 . 1 1 63 63 LEU CD2 C 13 24.701 0.5 . . . . . A 63 LEU CD2 . 19654 1 719 . 1 1 63 63 LEU N N 15 119.043 0.5 . . . . . A 63 LEU N . 19654 1 720 . 1 1 64 64 ARG H H 1 7.912 0.02 . . . . . A 64 ARG H . 19654 1 721 . 1 1 64 64 ARG HA H 1 4.090 0.02 . . . . . A 64 ARG HA . 19654 1 722 . 1 1 64 64 ARG HB2 H 1 1.951 0.02 . . . . . A 64 ARG HB2 . 19654 1 723 . 1 1 64 64 ARG HB3 H 1 1.951 0.02 . . . . . A 64 ARG HB3 . 19654 1 724 . 1 1 64 64 ARG HG2 H 1 1.826 0.02 . . . . . A 64 ARG HG2 . 19654 1 725 . 1 1 64 64 ARG HG3 H 1 1.705 0.02 . . . . . A 64 ARG HG3 . 19654 1 726 . 1 1 64 64 ARG HD2 H 1 3.237 0.02 . . . . . A 64 ARG HD2 . 19654 1 727 . 1 1 64 64 ARG HD3 H 1 3.237 0.02 . . . . . A 64 ARG HD3 . 19654 1 728 . 1 1 64 64 ARG CA C 13 58.551 0.5 . . . . . A 64 ARG CA . 19654 1 729 . 1 1 64 64 ARG CB C 13 29.772 0.5 . . . . . A 64 ARG CB . 19654 1 730 . 1 1 64 64 ARG CG C 13 27.409 0.5 . . . . . A 64 ARG CG . 19654 1 731 . 1 1 64 64 ARG CD C 13 43.071 0.5 . . . . . A 64 ARG CD . 19654 1 732 . 1 1 64 64 ARG N N 15 117.294 0.5 . . . . . A 64 ARG N . 19654 1 733 . 1 1 65 65 LYS H H 1 7.506 0.02 . . . . . A 65 LYS H . 19654 1 734 . 1 1 65 65 LYS HA H 1 4.165 0.02 . . . . . A 65 LYS HA . 19654 1 735 . 1 1 65 65 LYS HB2 H 1 1.859 0.02 . . . . . A 65 LYS HB2 . 19654 1 736 . 1 1 65 65 LYS HB3 H 1 1.958 0.02 . . . . . A 65 LYS HB3 . 19654 1 737 . 1 1 65 65 LYS HG2 H 1 1.533 0.02 . . . . . A 65 LYS HG2 . 19654 1 738 . 1 1 65 65 LYS HG3 H 1 1.427 0.02 . . . . . A 65 LYS HG3 . 19654 1 739 . 1 1 65 65 LYS HD2 H 1 1.658 0.02 . . . . . A 65 LYS HD2 . 19654 1 740 . 1 1 65 65 LYS HD3 H 1 1.658 0.02 . . . . . A 65 LYS HD3 . 19654 1 741 . 1 1 65 65 LYS HE2 H 1 2.946 0.02 . . . . . A 65 LYS HE2 . 19654 1 742 . 1 1 65 65 LYS HE3 H 1 2.946 0.02 . . . . . A 65 LYS HE3 . 19654 1 743 . 1 1 65 65 LYS CA C 13 57.175 0.5 . . . . . A 65 LYS CA . 19654 1 744 . 1 1 65 65 LYS CB C 13 32.299 0.5 . . . . . A 65 LYS CB . 19654 1 745 . 1 1 65 65 LYS CG C 13 24.851 0.5 . . . . . A 65 LYS CG . 19654 1 746 . 1 1 65 65 LYS CD C 13 28.900 0.5 . . . . . A 65 LYS CD . 19654 1 747 . 1 1 65 65 LYS CE C 13 41.800 0.5 . . . . . A 65 LYS CE . 19654 1 748 . 1 1 65 65 LYS N N 15 116.840 0.5 . . . . . A 65 LYS N . 19654 1 749 . 1 1 66 66 LEU H H 1 7.736 0.02 . . . . . A 66 LEU H . 19654 1 750 . 1 1 66 66 LEU HA H 1 4.232 0.02 . . . . . A 66 LEU HA . 19654 1 751 . 1 1 66 66 LEU HB2 H 1 1.469 0.02 . . . . . A 66 LEU HB2 . 19654 1 752 . 1 1 66 66 LEU HB3 H 1 1.798 0.02 . . . . . A 66 LEU HB3 . 19654 1 753 . 1 1 66 66 LEU HG H 1 1.838 0.02 . . . . . A 66 LEU HG . 19654 1 754 . 1 1 66 66 LEU HD11 H 1 0.916 0.02 . . . . . A 66 LEU HD11 . 19654 1 755 . 1 1 66 66 LEU HD12 H 1 0.916 0.02 . . . . . A 66 LEU HD12 . 19654 1 756 . 1 1 66 66 LEU HD13 H 1 0.916 0.02 . . . . . A 66 LEU HD13 . 19654 1 757 . 1 1 66 66 LEU HD21 H 1 0.859 0.02 . . . . . A 66 LEU HD21 . 19654 1 758 . 1 1 66 66 LEU HD22 H 1 0.859 0.02 . . . . . A 66 LEU HD22 . 19654 1 759 . 1 1 66 66 LEU HD23 H 1 0.859 0.02 . . . . . A 66 LEU HD23 . 19654 1 760 . 1 1 66 66 LEU CA C 13 55.442 0.5 . . . . . A 66 LEU CA . 19654 1 761 . 1 1 66 66 LEU CB C 13 43.042 0.5 . . . . . A 66 LEU CB . 19654 1 762 . 1 1 66 66 LEU CG C 13 26.477 0.5 . . . . . A 66 LEU CG . 19654 1 763 . 1 1 66 66 LEU CD1 C 13 25.675 0.5 . . . . . A 66 LEU CD1 . 19654 1 764 . 1 1 66 66 LEU CD2 C 13 23.147 0.5 . . . . . A 66 LEU CD2 . 19654 1 765 . 1 1 66 66 LEU N N 15 119.257 0.5 . . . . . A 66 LEU N . 19654 1 766 . 1 1 67 67 ASP H H 1 8.068 0.02 . . . . . A 67 ASP H . 19654 1 767 . 1 1 67 67 ASP HA H 1 4.457 0.02 . . . . . A 67 ASP HA . 19654 1 768 . 1 1 67 67 ASP HB2 H 1 2.890 0.02 . . . . . A 67 ASP HB2 . 19654 1 769 . 1 1 67 67 ASP HB3 H 1 2.318 0.02 . . . . . A 67 ASP HB3 . 19654 1 770 . 1 1 67 67 ASP CA C 13 53.850 0.5 . . . . . A 67 ASP CA . 19654 1 771 . 1 1 67 67 ASP CB C 13 40.195 0.5 . . . . . A 67 ASP CB . 19654 1 772 . 1 1 67 67 ASP N N 15 119.743 0.5 . . . . . A 67 ASP N . 19654 1 773 . 1 1 68 68 ILE H H 1 8.275 0.02 . . . . . A 68 ILE H . 19654 1 774 . 1 1 68 68 ILE HA H 1 3.870 0.02 . . . . . A 68 ILE HA . 19654 1 775 . 1 1 68 68 ILE HB H 1 1.785 0.02 . . . . . A 68 ILE HB . 19654 1 776 . 1 1 68 68 ILE HG12 H 1 1.499 0.02 . . . . . A 68 ILE HG12 . 19654 1 777 . 1 1 68 68 ILE HG13 H 1 1.012 0.02 . . . . . A 68 ILE HG13 . 19654 1 778 . 1 1 68 68 ILE HG21 H 1 0.795 0.02 . . . . . A 68 ILE HG21 . 19654 1 779 . 1 1 68 68 ILE HG22 H 1 0.795 0.02 . . . . . A 68 ILE HG22 . 19654 1 780 . 1 1 68 68 ILE HG23 H 1 0.795 0.02 . . . . . A 68 ILE HG23 . 19654 1 781 . 1 1 68 68 ILE HD11 H 1 0.793 0.02 . . . . . A 68 ILE HD11 . 19654 1 782 . 1 1 68 68 ILE HD12 H 1 0.793 0.02 . . . . . A 68 ILE HD12 . 19654 1 783 . 1 1 68 68 ILE HD13 H 1 0.793 0.02 . . . . . A 68 ILE HD13 . 19654 1 784 . 1 1 68 68 ILE CA C 13 61.524 0.5 . . . . . A 68 ILE CA . 19654 1 785 . 1 1 68 68 ILE CB C 13 37.986 0.5 . . . . . A 68 ILE CB . 19654 1 786 . 1 1 68 68 ILE CG1 C 13 27.389 0.5 . . . . . A 68 ILE CG1 . 19654 1 787 . 1 1 68 68 ILE CG2 C 13 17.628 0.5 . . . . . A 68 ILE CG2 . 19654 1 788 . 1 1 68 68 ILE CD1 C 13 13.551 0.5 . . . . . A 68 ILE CD1 . 19654 1 789 . 1 1 68 68 ILE N N 15 120.055 0.5 . . . . . A 68 ILE N . 19654 1 790 . 1 1 69 69 LYS H H 1 9.722 0.02 . . . . . A 69 LYS H . 19654 1 791 . 1 1 69 69 LYS HA H 1 4.481 0.02 . . . . . A 69 LYS HA . 19654 1 792 . 1 1 69 69 LYS HB2 H 1 1.825 0.02 . . . . . A 69 LYS HB2 . 19654 1 793 . 1 1 69 69 LYS HB3 H 1 1.787 0.02 . . . . . A 69 LYS HB3 . 19654 1 794 . 1 1 69 69 LYS HG2 H 1 1.391 0.02 . . . . . A 69 LYS HG2 . 19654 1 795 . 1 1 69 69 LYS HG3 H 1 1.391 0.02 . . . . . A 69 LYS HG3 . 19654 1 796 . 1 1 69 69 LYS HD2 H 1 1.712 0.02 . . . . . A 69 LYS HD2 . 19654 1 797 . 1 1 69 69 LYS HD3 H 1 1.639 0.02 . . . . . A 69 LYS HD3 . 19654 1 798 . 1 1 69 69 LYS HE2 H 1 3.003 0.02 . . . . . A 69 LYS HE2 . 19654 1 799 . 1 1 69 69 LYS HE3 H 1 3.003 0.02 . . . . . A 69 LYS HE3 . 19654 1 800 . 1 1 69 69 LYS CA C 13 56.304 0.5 . . . . . A 69 LYS CA . 19654 1 801 . 1 1 69 69 LYS CB C 13 34.136 0.5 . . . . . A 69 LYS CB . 19654 1 802 . 1 1 69 69 LYS CG C 13 23.827 0.5 . . . . . A 69 LYS CG . 19654 1 803 . 1 1 69 69 LYS CD C 13 28.427 0.5 . . . . . A 69 LYS CD . 19654 1 804 . 1 1 69 69 LYS CE C 13 41.424 0.5 . . . . . A 69 LYS CE . 19654 1 805 . 1 1 69 69 LYS N N 15 126.186 0.5 . . . . . A 69 LYS N . 19654 1 806 . 1 1 70 70 ASN H H 1 7.959 0.02 . . . . . A 70 ASN H . 19654 1 807 . 1 1 70 70 ASN HA H 1 4.700 0.02 . . . . . A 70 ASN HA . 19654 1 808 . 1 1 70 70 ASN HB2 H 1 2.995 0.02 . . . . . A 70 ASN HB2 . 19654 1 809 . 1 1 70 70 ASN HB3 H 1 2.995 0.02 . . . . . A 70 ASN HB3 . 19654 1 810 . 1 1 70 70 ASN HD21 H 1 6.937 0.02 . . . . . A 70 ASN HD21 . 19654 1 811 . 1 1 70 70 ASN HD22 H 1 7.529 0.02 . . . . . A 70 ASN HD22 . 19654 1 812 . 1 1 70 70 ASN CA C 13 51.977 0.5 . . . . . A 70 ASN CA . 19654 1 813 . 1 1 70 70 ASN CB C 13 39.474 0.5 . . . . . A 70 ASN CB . 19654 1 814 . 1 1 70 70 ASN N N 15 115.056 0.5 . . . . . A 70 ASN N . 19654 1 815 . 1 1 70 70 ASN ND2 N 15 113.297 0.5 . . . . . A 70 ASN ND2 . 19654 1 816 . 1 1 71 71 GLU H H 1 8.831 0.02 . . . . . A 71 GLU H . 19654 1 817 . 1 1 71 71 GLU HA H 1 3.967 0.02 . . . . . A 71 GLU HA . 19654 1 818 . 1 1 71 71 GLU HB2 H 1 2.034 0.02 . . . . . A 71 GLU HB2 . 19654 1 819 . 1 1 71 71 GLU HB3 H 1 2.034 0.02 . . . . . A 71 GLU HB3 . 19654 1 820 . 1 1 71 71 GLU HG2 H 1 2.224 0.02 . . . . . A 71 GLU HG2 . 19654 1 821 . 1 1 71 71 GLU HG3 H 1 2.224 0.02 . . . . . A 71 GLU HG3 . 19654 1 822 . 1 1 71 71 GLU CA C 13 59.354 0.5 . . . . . A 71 GLU CA . 19654 1 823 . 1 1 71 71 GLU CB C 13 29.520 0.5 . . . . . A 71 GLU CB . 19654 1 824 . 1 1 71 71 GLU CG C 13 36.226 0.5 . . . . . A 71 GLU CG . 19654 1 825 . 1 1 71 71 GLU N N 15 118.214 0.5 . . . . . A 71 GLU N . 19654 1 826 . 1 1 72 72 ASP H H 1 8.167 0.02 . . . . . A 72 ASP H . 19654 1 827 . 1 1 72 72 ASP HA H 1 4.422 0.02 . . . . . A 72 ASP HA . 19654 1 828 . 1 1 72 72 ASP HB2 H 1 2.728 0.02 . . . . . A 72 ASP HB2 . 19654 1 829 . 1 1 72 72 ASP HB3 H 1 2.650 0.02 . . . . . A 72 ASP HB3 . 19654 1 830 . 1 1 72 72 ASP CA C 13 57.036 0.5 . . . . . A 72 ASP CA . 19654 1 831 . 1 1 72 72 ASP CB C 13 39.945 0.5 . . . . . A 72 ASP CB . 19654 1 832 . 1 1 72 72 ASP N N 15 120.319 0.5 . . . . . A 72 ASP N . 19654 1 833 . 1 1 73 73 ASP H H 1 8.153 0.02 . . . . . A 73 ASP H . 19654 1 834 . 1 1 73 73 ASP HA H 1 4.521 0.02 . . . . . A 73 ASP HA . 19654 1 835 . 1 1 73 73 ASP HB2 H 1 2.881 0.02 . . . . . A 73 ASP HB2 . 19654 1 836 . 1 1 73 73 ASP HB3 H 1 2.961 0.02 . . . . . A 73 ASP HB3 . 19654 1 837 . 1 1 73 73 ASP CA C 13 56.337 0.5 . . . . . A 73 ASP CA . 19654 1 838 . 1 1 73 73 ASP CB C 13 41.927 0.5 . . . . . A 73 ASP CB . 19654 1 839 . 1 1 73 73 ASP N N 15 119.793 0.5 . . . . . A 73 ASP N . 19654 1 840 . 1 1 74 74 VAL H H 1 7.629 0.02 . . . . . A 74 VAL H . 19654 1 841 . 1 1 74 74 VAL HA H 1 3.714 0.02 . . . . . A 74 VAL HA . 19654 1 842 . 1 1 74 74 VAL HB H 1 2.325 0.02 . . . . . A 74 VAL HB . 19654 1 843 . 1 1 74 74 VAL HG11 H 1 0.937 0.02 . . . . . A 74 VAL HG11 . 19654 1 844 . 1 1 74 74 VAL HG12 H 1 0.937 0.02 . . . . . A 74 VAL HG12 . 19654 1 845 . 1 1 74 74 VAL HG13 H 1 0.937 0.02 . . . . . A 74 VAL HG13 . 19654 1 846 . 1 1 74 74 VAL HG21 H 1 1.036 0.02 . . . . . A 74 VAL HG21 . 19654 1 847 . 1 1 74 74 VAL HG22 H 1 1.036 0.02 . . . . . A 74 VAL HG22 . 19654 1 848 . 1 1 74 74 VAL HG23 H 1 1.036 0.02 . . . . . A 74 VAL HG23 . 19654 1 849 . 1 1 74 74 VAL CA C 13 65.498 0.5 . . . . . A 74 VAL CA . 19654 1 850 . 1 1 74 74 VAL CB C 13 31.077 0.5 . . . . . A 74 VAL CB . 19654 1 851 . 1 1 74 74 VAL CG1 C 13 21.751 0.5 . . . . . A 74 VAL CG1 . 19654 1 852 . 1 1 74 74 VAL CG2 C 13 22.466 0.5 . . . . . A 74 VAL CG2 . 19654 1 853 . 1 1 74 74 VAL N N 15 117.572 0.5 . . . . . A 74 VAL N . 19654 1 854 . 1 1 75 75 LYS H H 1 7.961 0.02 . . . . . A 75 LYS H . 19654 1 855 . 1 1 75 75 LYS HA H 1 4.154 0.02 . . . . . A 75 LYS HA . 19654 1 856 . 1 1 75 75 LYS HB2 H 1 1.970 0.02 . . . . . A 75 LYS HB2 . 19654 1 857 . 1 1 75 75 LYS HB3 H 1 1.970 0.02 . . . . . A 75 LYS HB3 . 19654 1 858 . 1 1 75 75 LYS HG2 H 1 1.644 0.02 . . . . . A 75 LYS HG2 . 19654 1 859 . 1 1 75 75 LYS HG3 H 1 1.486 0.02 . . . . . A 75 LYS HG3 . 19654 1 860 . 1 1 75 75 LYS HD2 H 1 1.721 0.02 . . . . . A 75 LYS HD2 . 19654 1 861 . 1 1 75 75 LYS HD3 H 1 1.721 0.02 . . . . . A 75 LYS HD3 . 19654 1 862 . 1 1 75 75 LYS HE2 H 1 2.957 0.02 . . . . . A 75 LYS HE2 . 19654 1 863 . 1 1 75 75 LYS HE3 H 1 2.957 0.02 . . . . . A 75 LYS HE3 . 19654 1 864 . 1 1 75 75 LYS CA C 13 59.034 0.5 . . . . . A 75 LYS CA . 19654 1 865 . 1 1 75 75 LYS CB C 13 31.909 0.5 . . . . . A 75 LYS CB . 19654 1 866 . 1 1 75 75 LYS CG C 13 25.605 0.5 . . . . . A 75 LYS CG . 19654 1 867 . 1 1 75 75 LYS CD C 13 29.127 0.5 . . . . . A 75 LYS CD . 19654 1 868 . 1 1 75 75 LYS CE C 13 41.800 0.5 . . . . . A 75 LYS CE . 19654 1 869 . 1 1 75 75 LYS N N 15 119.403 0.5 . . . . . A 75 LYS N . 19654 1 870 . 1 1 76 76 SER H H 1 7.919 0.02 . . . . . A 76 SER H . 19654 1 871 . 1 1 76 76 SER HA H 1 4.453 0.02 . . . . . A 76 SER HA . 19654 1 872 . 1 1 76 76 SER HB2 H 1 4.084 0.02 . . . . . A 76 SER HB2 . 19654 1 873 . 1 1 76 76 SER HB3 H 1 4.023 0.02 . . . . . A 76 SER HB3 . 19654 1 874 . 1 1 76 76 SER CA C 13 60.061 0.5 . . . . . A 76 SER CA . 19654 1 875 . 1 1 76 76 SER CB C 13 63.023 0.5 . . . . . A 76 SER CB . 19654 1 876 . 1 1 76 76 SER N N 15 114.355 0.5 . . . . . A 76 SER N . 19654 1 877 . 1 1 77 77 LEU H H 1 7.883 0.02 . . . . . A 77 LEU H . 19654 1 878 . 1 1 77 77 LEU HA H 1 4.230 0.02 . . . . . A 77 LEU HA . 19654 1 879 . 1 1 77 77 LEU HB2 H 1 1.708 0.02 . . . . . A 77 LEU HB2 . 19654 1 880 . 1 1 77 77 LEU HB3 H 1 1.949 0.02 . . . . . A 77 LEU HB3 . 19654 1 881 . 1 1 77 77 LEU HG H 1 1.944 0.02 . . . . . A 77 LEU HG . 19654 1 882 . 1 1 77 77 LEU HD11 H 1 0.953 0.02 . . . . . A 77 LEU HD11 . 19654 1 883 . 1 1 77 77 LEU HD12 H 1 0.953 0.02 . . . . . A 77 LEU HD12 . 19654 1 884 . 1 1 77 77 LEU HD13 H 1 0.953 0.02 . . . . . A 77 LEU HD13 . 19654 1 885 . 1 1 77 77 LEU HD21 H 1 0.908 0.02 . . . . . A 77 LEU HD21 . 19654 1 886 . 1 1 77 77 LEU HD22 H 1 0.908 0.02 . . . . . A 77 LEU HD22 . 19654 1 887 . 1 1 77 77 LEU HD23 H 1 0.908 0.02 . . . . . A 77 LEU HD23 . 19654 1 888 . 1 1 77 77 LEU CA C 13 56.764 0.5 . . . . . A 77 LEU CA . 19654 1 889 . 1 1 77 77 LEU CB C 13 41.695 0.5 . . . . . A 77 LEU CB . 19654 1 890 . 1 1 77 77 LEU CG C 13 26.608 0.5 . . . . . A 77 LEU CG . 19654 1 891 . 1 1 77 77 LEU CD1 C 13 25.426 0.5 . . . . . A 77 LEU CD1 . 19654 1 892 . 1 1 77 77 LEU CD2 C 13 24.413 0.5 . . . . . A 77 LEU CD2 . 19654 1 893 . 1 1 77 77 LEU N N 15 121.954 0.5 . . . . . A 77 LEU N . 19654 1 894 . 1 1 78 78 SER H H 1 8.185 0.02 . . . . . A 78 SER H . 19654 1 895 . 1 1 78 78 SER HA H 1 3.962 0.02 . . . . . A 78 SER HA . 19654 1 896 . 1 1 78 78 SER HB2 H 1 3.942 0.02 . . . . . A 78 SER HB2 . 19654 1 897 . 1 1 78 78 SER HB3 H 1 3.942 0.02 . . . . . A 78 SER HB3 . 19654 1 898 . 1 1 78 78 SER CA C 13 62.337 0.5 . . . . . A 78 SER CA . 19654 1 899 . 1 1 78 78 SER CB C 13 62.218 0.5 . . . . . A 78 SER CB . 19654 1 900 . 1 1 78 78 SER N N 15 115.268 0.5 . . . . . A 78 SER N . 19654 1 901 . 1 1 79 79 ARG H H 1 7.684 0.02 . . . . . A 79 ARG H . 19654 1 902 . 1 1 79 79 ARG HA H 1 4.090 0.02 . . . . . A 79 ARG HA . 19654 1 903 . 1 1 79 79 ARG HB2 H 1 1.968 0.02 . . . . . A 79 ARG HB2 . 19654 1 904 . 1 1 79 79 ARG HB3 H 1 1.926 0.02 . . . . . A 79 ARG HB3 . 19654 1 905 . 1 1 79 79 ARG HG2 H 1 1.745 0.02 . . . . . A 79 ARG HG2 . 19654 1 906 . 1 1 79 79 ARG HG3 H 1 1.667 0.02 . . . . . A 79 ARG HG3 . 19654 1 907 . 1 1 79 79 ARG HD2 H 1 3.235 0.02 . . . . . A 79 ARG HD2 . 19654 1 908 . 1 1 79 79 ARG HD3 H 1 3.235 0.02 . . . . . A 79 ARG HD3 . 19654 1 909 . 1 1 79 79 ARG HE H 1 7.190 0.02 . . . . . A 79 ARG HE . 19654 1 910 . 1 1 79 79 ARG CA C 13 58.849 0.5 . . . . . A 79 ARG CA . 19654 1 911 . 1 1 79 79 ARG CB C 13 29.930 0.5 . . . . . A 79 ARG CB . 19654 1 912 . 1 1 79 79 ARG CG C 13 27.409 0.5 . . . . . A 79 ARG CG . 19654 1 913 . 1 1 79 79 ARG CD C 13 43.179 0.5 . . . . . A 79 ARG CD . 19654 1 914 . 1 1 79 79 ARG N N 15 119.021 0.5 . . . . . A 79 ARG N . 19654 1 915 . 1 1 79 79 ARG NE N 15 84.566 0.5 . . . . . A 79 ARG NE . 19654 1 916 . 1 1 80 80 VAL H H 1 7.479 0.02 . . . . . A 80 VAL H . 19654 1 917 . 1 1 80 80 VAL HA H 1 3.953 0.02 . . . . . A 80 VAL HA . 19654 1 918 . 1 1 80 80 VAL HB H 1 2.194 0.02 . . . . . A 80 VAL HB . 19654 1 919 . 1 1 80 80 VAL HG11 H 1 0.882 0.02 . . . . . A 80 VAL HG11 . 19654 1 920 . 1 1 80 80 VAL HG12 H 1 0.882 0.02 . . . . . A 80 VAL HG12 . 19654 1 921 . 1 1 80 80 VAL HG13 H 1 0.882 0.02 . . . . . A 80 VAL HG13 . 19654 1 922 . 1 1 80 80 VAL HG21 H 1 1.013 0.02 . . . . . A 80 VAL HG21 . 19654 1 923 . 1 1 80 80 VAL HG22 H 1 1.013 0.02 . . . . . A 80 VAL HG22 . 19654 1 924 . 1 1 80 80 VAL HG23 H 1 1.013 0.02 . . . . . A 80 VAL HG23 . 19654 1 925 . 1 1 80 80 VAL CA C 13 64.228 0.5 . . . . . A 80 VAL CA . 19654 1 926 . 1 1 80 80 VAL CB C 13 32.210 0.5 . . . . . A 80 VAL CB . 19654 1 927 . 1 1 80 80 VAL CG1 C 13 21.000 0.5 . . . . . A 80 VAL CG1 . 19654 1 928 . 1 1 80 80 VAL CG2 C 13 21.621 0.5 . . . . . A 80 VAL CG2 . 19654 1 929 . 1 1 80 80 VAL N N 15 116.979 0.5 . . . . . A 80 VAL N . 19654 1 930 . 1 1 81 81 MET H H 1 8.104 0.02 . . . . . A 81 MET H . 19654 1 931 . 1 1 81 81 MET HA H 1 4.053 0.02 . . . . . A 81 MET HA . 19654 1 932 . 1 1 81 81 MET HB2 H 1 1.973 0.02 . . . . . A 81 MET HB2 . 19654 1 933 . 1 1 81 81 MET HB3 H 1 2.198 0.02 . . . . . A 81 MET HB3 . 19654 1 934 . 1 1 81 81 MET HG2 H 1 2.408 0.02 . . . . . A 81 MET HG2 . 19654 1 935 . 1 1 81 81 MET HG3 H 1 2.702 0.02 . . . . . A 81 MET HG3 . 19654 1 936 . 1 1 81 81 MET HE1 H 1 1.855 0.02 . . . . . A 81 MET HE1 . 19654 1 937 . 1 1 81 81 MET HE2 H 1 1.855 0.02 . . . . . A 81 MET HE2 . 19654 1 938 . 1 1 81 81 MET HE3 H 1 1.855 0.02 . . . . . A 81 MET HE3 . 19654 1 939 . 1 1 81 81 MET CA C 13 58.322 0.5 . . . . . A 81 MET CA . 19654 1 940 . 1 1 81 81 MET CB C 13 32.555 0.5 . . . . . A 81 MET CB . 19654 1 941 . 1 1 81 81 MET CG C 13 32.704 0.5 . . . . . A 81 MET CG . 19654 1 942 . 1 1 81 81 MET CE C 13 17.192 0.5 . . . . . A 81 MET CE . 19654 1 943 . 1 1 81 81 MET N N 15 117.822 0.5 . . . . . A 81 MET N . 19654 1 944 . 1 1 82 82 ILE H H 1 7.789 0.02 . . . . . A 82 ILE H . 19654 1 945 . 1 1 82 82 ILE HA H 1 3.815 0.02 . . . . . A 82 ILE HA . 19654 1 946 . 1 1 82 82 ILE HB H 1 1.869 0.02 . . . . . A 82 ILE HB . 19654 1 947 . 1 1 82 82 ILE HG12 H 1 1.532 0.02 . . . . . A 82 ILE HG12 . 19654 1 948 . 1 1 82 82 ILE HG13 H 1 1.183 0.02 . . . . . A 82 ILE HG13 . 19654 1 949 . 1 1 82 82 ILE HG21 H 1 0.814 0.02 . . . . . A 82 ILE HG21 . 19654 1 950 . 1 1 82 82 ILE HG22 H 1 0.814 0.02 . . . . . A 82 ILE HG22 . 19654 1 951 . 1 1 82 82 ILE HG23 H 1 0.814 0.02 . . . . . A 82 ILE HG23 . 19654 1 952 . 1 1 82 82 ILE HD11 H 1 0.820 0.02 . . . . . A 82 ILE HD11 . 19654 1 953 . 1 1 82 82 ILE HD12 H 1 0.820 0.02 . . . . . A 82 ILE HD12 . 19654 1 954 . 1 1 82 82 ILE HD13 H 1 0.820 0.02 . . . . . A 82 ILE HD13 . 19654 1 955 . 1 1 82 82 ILE CA C 13 63.653 0.5 . . . . . A 82 ILE CA . 19654 1 956 . 1 1 82 82 ILE CB C 13 37.879 0.5 . . . . . A 82 ILE CB . 19654 1 957 . 1 1 82 82 ILE CG1 C 13 28.938 0.5 . . . . . A 82 ILE CG1 . 19654 1 958 . 1 1 82 82 ILE CG2 C 13 17.212 0.5 . . . . . A 82 ILE CG2 . 19654 1 959 . 1 1 82 82 ILE CD1 C 13 13.447 0.5 . . . . . A 82 ILE CD1 . 19654 1 960 . 1 1 82 82 ILE N N 15 116.348 0.5 . . . . . A 82 ILE N . 19654 1 961 . 1 1 83 83 HIS H H 1 7.543 0.02 . . . . . A 83 HIS H . 19654 1 962 . 1 1 83 83 HIS HA H 1 4.409 0.02 . . . . . A 83 HIS HA . 19654 1 963 . 1 1 83 83 HIS HB2 H 1 3.238 0.02 . . . . . A 83 HIS HB2 . 19654 1 964 . 1 1 83 83 HIS HB3 H 1 3.171 0.02 . . . . . A 83 HIS HB3 . 19654 1 965 . 1 1 83 83 HIS HD2 H 1 7.012 0.02 . . . . . A 83 HIS HD2 . 19654 1 966 . 1 1 83 83 HIS CA C 13 58.245 0.5 . . . . . A 83 HIS CA . 19654 1 967 . 1 1 83 83 HIS CB C 13 29.735 0.5 . . . . . A 83 HIS CB . 19654 1 968 . 1 1 83 83 HIS CD2 C 13 120.206 0.5 . . . . . A 83 HIS CD2 . 19654 1 969 . 1 1 83 83 HIS CE1 C 13 136.025 0.5 . . . . . A 83 HIS CE1 . 19654 1 970 . 1 1 83 83 HIS N N 15 118.994 0.5 . . . . . A 83 HIS N . 19654 1 971 . 1 1 84 84 VAL H H 1 7.713 0.02 . . . . . A 84 VAL H . 19654 1 972 . 1 1 84 84 VAL HA H 1 3.631 0.02 . . . . . A 84 VAL HA . 19654 1 973 . 1 1 84 84 VAL HB H 1 1.667 0.02 . . . . . A 84 VAL HB . 19654 1 974 . 1 1 84 84 VAL HG11 H 1 0.293 0.02 . . . . . A 84 VAL HG11 . 19654 1 975 . 1 1 84 84 VAL HG12 H 1 0.293 0.02 . . . . . A 84 VAL HG12 . 19654 1 976 . 1 1 84 84 VAL HG13 H 1 0.293 0.02 . . . . . A 84 VAL HG13 . 19654 1 977 . 1 1 84 84 VAL HG21 H 1 0.678 0.02 . . . . . A 84 VAL HG21 . 19654 1 978 . 1 1 84 84 VAL HG22 H 1 0.678 0.02 . . . . . A 84 VAL HG22 . 19654 1 979 . 1 1 84 84 VAL HG23 H 1 0.678 0.02 . . . . . A 84 VAL HG23 . 19654 1 980 . 1 1 84 84 VAL CA C 13 64.628 0.5 . . . . . A 84 VAL CA . 19654 1 981 . 1 1 84 84 VAL CB C 13 31.904 0.5 . . . . . A 84 VAL CB . 19654 1 982 . 1 1 84 84 VAL CG1 C 13 20.722 0.5 . . . . . A 84 VAL CG1 . 19654 1 983 . 1 1 84 84 VAL CG2 C 13 21.597 0.5 . . . . . A 84 VAL CG2 . 19654 1 984 . 1 1 84 84 VAL N N 15 117.112 0.5 . . . . . A 84 VAL N . 19654 1 985 . 1 1 85 85 PHE H H 1 7.743 0.02 . . . . . A 85 PHE H . 19654 1 986 . 1 1 85 85 PHE HA H 1 4.733 0.02 . . . . . A 85 PHE HA . 19654 1 987 . 1 1 85 85 PHE HB2 H 1 3.233 0.02 . . . . . A 85 PHE HB2 . 19654 1 988 . 1 1 85 85 PHE HB3 H 1 2.867 0.02 . . . . . A 85 PHE HB3 . 19654 1 989 . 1 1 85 85 PHE HD1 H 1 7.255 0.02 . . . . . A 85 PHE HD1 . 19654 1 990 . 1 1 85 85 PHE HD2 H 1 7.255 0.02 . . . . . A 85 PHE HD2 . 19654 1 991 . 1 1 85 85 PHE HE1 H 1 6.878 0.02 . . . . . A 85 PHE HE1 . 19654 1 992 . 1 1 85 85 PHE HE2 H 1 6.878 0.02 . . . . . A 85 PHE HE2 . 19654 1 993 . 1 1 85 85 PHE HZ H 1 6.688 0.02 . . . . . A 85 PHE HZ . 19654 1 994 . 1 1 85 85 PHE CA C 13 57.326 0.5 . . . . . A 85 PHE CA . 19654 1 995 . 1 1 85 85 PHE CB C 13 39.507 0.5 . . . . . A 85 PHE CB . 19654 1 996 . 1 1 85 85 PHE CD1 C 13 131.733 0.5 . . . . . A 85 PHE CD1 . 19654 1 997 . 1 1 85 85 PHE CE1 C 13 130.384 0.5 . . . . . A 85 PHE CE1 . 19654 1 998 . 1 1 85 85 PHE CZ C 13 128.420 0.5 . . . . . A 85 PHE CZ . 19654 1 999 . 1 1 85 85 PHE N N 15 115.531 0.5 . . . . . A 85 PHE N . 19654 1 1000 . 1 1 86 86 SER H H 1 7.634 0.02 . . . . . A 86 SER H . 19654 1 1001 . 1 1 86 86 SER HA H 1 4.275 0.02 . . . . . A 86 SER HA . 19654 1 1002 . 1 1 86 86 SER HB2 H 1 3.902 0.02 . . . . . A 86 SER HB2 . 19654 1 1003 . 1 1 86 86 SER HB3 H 1 3.842 0.02 . . . . . A 86 SER HB3 . 19654 1 1004 . 1 1 86 86 SER CA C 13 59.832 0.5 . . . . . A 86 SER CA . 19654 1 1005 . 1 1 86 86 SER CB C 13 63.482 0.5 . . . . . A 86 SER CB . 19654 1 1006 . 1 1 86 86 SER N N 15 114.812 0.5 . . . . . A 86 SER N . 19654 1 1007 . 1 1 87 87 ASP H H 1 8.043 0.02 . . . . . A 87 ASP H . 19654 1 1008 . 1 1 87 87 ASP HA H 1 4.491 0.02 . . . . . A 87 ASP HA . 19654 1 1009 . 1 1 87 87 ASP HB2 H 1 2.617 0.02 . . . . . A 87 ASP HB2 . 19654 1 1010 . 1 1 87 87 ASP HB3 H 1 2.794 0.02 . . . . . A 87 ASP HB3 . 19654 1 1011 . 1 1 87 87 ASP CA C 13 54.032 0.5 . . . . . A 87 ASP CA . 19654 1 1012 . 1 1 87 87 ASP CB C 13 40.411 0.5 . . . . . A 87 ASP CB . 19654 1 1013 . 1 1 87 87 ASP N N 15 120.986 0.5 . . . . . A 87 ASP N . 19654 1 1014 . 1 1 88 88 GLY H H 1 8.163 0.02 . . . . . A 88 GLY H . 19654 1 1015 . 1 1 88 88 GLY HA2 H 1 4.035 0.02 . . . . . A 88 GLY HA2 . 19654 1 1016 . 1 1 88 88 GLY HA3 H 1 3.736 0.02 . . . . . A 88 GLY HA3 . 19654 1 1017 . 1 1 88 88 GLY CA C 13 44.981 0.5 . . . . . A 88 GLY CA . 19654 1 1018 . 1 1 88 88 GLY N N 15 108.171 0.5 . . . . . A 88 GLY N . 19654 1 1019 . 1 1 89 89 VAL H H 1 7.886 0.02 . . . . . A 89 VAL H . 19654 1 1020 . 1 1 89 89 VAL HA H 1 3.879 0.02 . . . . . A 89 VAL HA . 19654 1 1021 . 1 1 89 89 VAL HB H 1 1.955 0.02 . . . . . A 89 VAL HB . 19654 1 1022 . 1 1 89 89 VAL HG11 H 1 0.780 0.02 . . . . . A 89 VAL HG11 . 19654 1 1023 . 1 1 89 89 VAL HG12 H 1 0.780 0.02 . . . . . A 89 VAL HG12 . 19654 1 1024 . 1 1 89 89 VAL HG13 H 1 0.780 0.02 . . . . . A 89 VAL HG13 . 19654 1 1025 . 1 1 89 89 VAL HG21 H 1 0.825 0.02 . . . . . A 89 VAL HG21 . 19654 1 1026 . 1 1 89 89 VAL HG22 H 1 0.825 0.02 . . . . . A 89 VAL HG22 . 19654 1 1027 . 1 1 89 89 VAL HG23 H 1 0.825 0.02 . . . . . A 89 VAL HG23 . 19654 1 1028 . 1 1 89 89 VAL CA C 13 62.471 0.5 . . . . . A 89 VAL CA . 19654 1 1029 . 1 1 89 89 VAL CB C 13 32.418 0.5 . . . . . A 89 VAL CB . 19654 1 1030 . 1 1 89 89 VAL CG1 C 13 20.747 0.5 . . . . . A 89 VAL CG1 . 19654 1 1031 . 1 1 89 89 VAL CG2 C 13 21.000 0.5 . . . . . A 89 VAL CG2 . 19654 1 1032 . 1 1 89 89 VAL N N 15 121.716 0.5 . . . . . A 89 VAL N . 19654 1 1033 . 1 1 90 90 THR H H 1 8.201 0.02 . . . . . A 90 THR H . 19654 1 1034 . 1 1 90 90 THR HA H 1 3.657 0.02 . . . . . A 90 THR HA . 19654 1 1035 . 1 1 90 90 THR HB H 1 2.660 0.02 . . . . . A 90 THR HB . 19654 1 1036 . 1 1 90 90 THR HG21 H 1 -0.488 0.02 . . . . . A 90 THR HG21 . 19654 1 1037 . 1 1 90 90 THR HG22 H 1 -0.488 0.02 . . . . . A 90 THR HG22 . 19654 1 1038 . 1 1 90 90 THR HG23 H 1 -0.488 0.02 . . . . . A 90 THR HG23 . 19654 1 1039 . 1 1 90 90 THR CA C 13 62.473 0.5 . . . . . A 90 THR CA . 19654 1 1040 . 1 1 90 90 THR CB C 13 68.528 0.5 . . . . . A 90 THR CB . 19654 1 1041 . 1 1 90 90 THR CG2 C 13 20.546 0.5 . . . . . A 90 THR CG2 . 19654 1 1042 . 1 1 90 90 THR N N 15 121.669 0.5 . . . . . A 90 THR N . 19654 1 1043 . 1 1 91 91 ASN H H 1 8.826 0.02 . . . . . A 91 ASN H . 19654 1 1044 . 1 1 91 91 ASN HA H 1 4.162 0.02 . . . . . A 91 ASN HA . 19654 1 1045 . 1 1 91 91 ASN HB2 H 1 3.031 0.02 . . . . . A 91 ASN HB2 . 19654 1 1046 . 1 1 91 91 ASN HB3 H 1 2.982 0.02 . . . . . A 91 ASN HB3 . 19654 1 1047 . 1 1 91 91 ASN HD21 H 1 7.511 0.02 . . . . . A 91 ASN HD21 . 19654 1 1048 . 1 1 91 91 ASN HD22 H 1 6.839 0.02 . . . . . A 91 ASN HD22 . 19654 1 1049 . 1 1 91 91 ASN CA C 13 51.748 0.5 . . . . . A 91 ASN CA . 19654 1 1050 . 1 1 91 91 ASN CB C 13 39.645 0.5 . . . . . A 91 ASN CB . 19654 1 1051 . 1 1 91 91 ASN ND2 N 15 114.809 0.5 . . . . . A 91 ASN ND2 . 19654 1 1052 . 1 1 92 92 TRP H H 1 8.942 0.02 . . . . . A 92 TRP H . 19654 1 1053 . 1 1 92 92 TRP HA H 1 4.739 0.02 . . . . . A 92 TRP HA . 19654 1 1054 . 1 1 92 92 TRP HB2 H 1 2.405 0.02 . . . . . A 92 TRP HB2 . 19654 1 1055 . 1 1 92 92 TRP HB3 H 1 3.438 0.02 . . . . . A 92 TRP HB3 . 19654 1 1056 . 1 1 92 92 TRP HD1 H 1 6.170 0.02 . . . . . A 92 TRP HD1 . 19654 1 1057 . 1 1 92 92 TRP HE1 H 1 10.256 0.02 . . . . . A 92 TRP HE1 . 19654 1 1058 . 1 1 92 92 TRP HE3 H 1 7.610 0.02 . . . . . A 92 TRP HE3 . 19654 1 1059 . 1 1 92 92 TRP HZ2 H 1 7.218 0.02 . . . . . A 92 TRP HZ2 . 19654 1 1060 . 1 1 92 92 TRP HZ3 H 1 6.209 0.02 . . . . . A 92 TRP HZ3 . 19654 1 1061 . 1 1 92 92 TRP HH2 H 1 6.275 0.02 . . . . . A 92 TRP HH2 . 19654 1 1062 . 1 1 92 92 TRP CA C 13 60.233 0.5 . . . . . A 92 TRP CA . 19654 1 1063 . 1 1 92 92 TRP CB C 13 30.167 0.5 . . . . . A 92 TRP CB . 19654 1 1064 . 1 1 92 92 TRP CD1 C 13 128.513 0.5 . . . . . A 92 TRP CD1 . 19654 1 1065 . 1 1 92 92 TRP CE3 C 13 120.724 0.5 . . . . . A 92 TRP CE3 . 19654 1 1066 . 1 1 92 92 TRP CZ2 C 13 115.479 0.5 . . . . . A 92 TRP CZ2 . 19654 1 1067 . 1 1 92 92 TRP CZ3 C 13 120.802 0.5 . . . . . A 92 TRP CZ3 . 19654 1 1068 . 1 1 92 92 TRP CH2 C 13 124.861 0.5 . . . . . A 92 TRP CH2 . 19654 1 1069 . 1 1 92 92 TRP N N 15 118.437 0.5 . . . . . A 92 TRP N . 19654 1 1070 . 1 1 92 92 TRP NE1 N 15 129.115 0.5 . . . . . A 92 TRP NE1 . 19654 1 1071 . 1 1 93 93 GLY H H 1 8.697 0.02 . . . . . A 93 GLY H . 19654 1 1072 . 1 1 93 93 GLY HA2 H 1 4.147 0.02 . . . . . A 93 GLY HA2 . 19654 1 1073 . 1 1 93 93 GLY HA3 H 1 4.077 0.02 . . . . . A 93 GLY HA3 . 19654 1 1074 . 1 1 93 93 GLY CA C 13 47.544 0.5 . . . . . A 93 GLY CA . 19654 1 1075 . 1 1 93 93 GLY N N 15 108.154 0.5 . . . . . A 93 GLY N . 19654 1 1076 . 1 1 94 94 ARG H H 1 8.353 0.02 . . . . . A 94 ARG H . 19654 1 1077 . 1 1 94 94 ARG HA H 1 4.072 0.02 . . . . . A 94 ARG HA . 19654 1 1078 . 1 1 94 94 ARG HB2 H 1 1.770 0.02 . . . . . A 94 ARG HB2 . 19654 1 1079 . 1 1 94 94 ARG HB3 H 1 1.710 0.02 . . . . . A 94 ARG HB3 . 19654 1 1080 . 1 1 94 94 ARG HG2 H 1 1.822 0.02 . . . . . A 94 ARG HG2 . 19654 1 1081 . 1 1 94 94 ARG HG3 H 1 1.650 0.02 . . . . . A 94 ARG HG3 . 19654 1 1082 . 1 1 94 94 ARG HD2 H 1 3.064 0.02 . . . . . A 94 ARG HD2 . 19654 1 1083 . 1 1 94 94 ARG HD3 H 1 3.032 0.02 . . . . . A 94 ARG HD3 . 19654 1 1084 . 1 1 94 94 ARG CA C 13 58.556 0.5 . . . . . A 94 ARG CA . 19654 1 1085 . 1 1 94 94 ARG CB C 13 30.201 0.5 . . . . . A 94 ARG CB . 19654 1 1086 . 1 1 94 94 ARG CG C 13 27.045 0.5 . . . . . A 94 ARG CG . 19654 1 1087 . 1 1 94 94 ARG CD C 13 42.452 0.5 . . . . . A 94 ARG CD . 19654 1 1088 . 1 1 94 94 ARG N N 15 122.547 0.5 . . . . . A 94 ARG N . 19654 1 1089 . 1 1 95 95 ILE H H 1 7.545 0.02 . . . . . A 95 ILE H . 19654 1 1090 . 1 1 95 95 ILE HA H 1 3.708 0.02 . . . . . A 95 ILE HA . 19654 1 1091 . 1 1 95 95 ILE HB H 1 2.461 0.02 . . . . . A 95 ILE HB . 19654 1 1092 . 1 1 95 95 ILE HG12 H 1 1.575 0.02 . . . . . A 95 ILE HG12 . 19654 1 1093 . 1 1 95 95 ILE HG13 H 1 1.036 0.02 . . . . . A 95 ILE HG13 . 19654 1 1094 . 1 1 95 95 ILE HG21 H 1 1.065 0.02 . . . . . A 95 ILE HG21 . 19654 1 1095 . 1 1 95 95 ILE HG22 H 1 1.065 0.02 . . . . . A 95 ILE HG22 . 19654 1 1096 . 1 1 95 95 ILE HG23 H 1 1.065 0.02 . . . . . A 95 ILE HG23 . 19654 1 1097 . 1 1 95 95 ILE HD11 H 1 0.332 0.02 . . . . . A 95 ILE HD11 . 19654 1 1098 . 1 1 95 95 ILE HD12 H 1 0.332 0.02 . . . . . A 95 ILE HD12 . 19654 1 1099 . 1 1 95 95 ILE HD13 H 1 0.332 0.02 . . . . . A 95 ILE HD13 . 19654 1 1100 . 1 1 95 95 ILE CA C 13 65.511 0.5 . . . . . A 95 ILE CA . 19654 1 1101 . 1 1 95 95 ILE CB C 13 37.486 0.5 . . . . . A 95 ILE CB . 19654 1 1102 . 1 1 95 95 ILE CG1 C 13 29.671 0.5 . . . . . A 95 ILE CG1 . 19654 1 1103 . 1 1 95 95 ILE CG2 C 13 16.750 0.5 . . . . . A 95 ILE CG2 . 19654 1 1104 . 1 1 95 95 ILE CD1 C 13 13.481 0.5 . . . . . A 95 ILE CD1 . 19654 1 1105 . 1 1 95 95 ILE N N 15 120.130 0.5 . . . . . A 95 ILE N . 19654 1 1106 . 1 1 96 96 VAL H H 1 8.990 0.02 . . . . . A 96 VAL H . 19654 1 1107 . 1 1 96 96 VAL HA H 1 3.723 0.02 . . . . . A 96 VAL HA . 19654 1 1108 . 1 1 96 96 VAL HB H 1 2.499 0.02 . . . . . A 96 VAL HB . 19654 1 1109 . 1 1 96 96 VAL HG11 H 1 1.008 0.02 . . . . . A 96 VAL HG11 . 19654 1 1110 . 1 1 96 96 VAL HG12 H 1 1.008 0.02 . . . . . A 96 VAL HG12 . 19654 1 1111 . 1 1 96 96 VAL HG13 H 1 1.008 0.02 . . . . . A 96 VAL HG13 . 19654 1 1112 . 1 1 96 96 VAL HG21 H 1 1.319 0.02 . . . . . A 96 VAL HG21 . 19654 1 1113 . 1 1 96 96 VAL HG22 H 1 1.319 0.02 . . . . . A 96 VAL HG22 . 19654 1 1114 . 1 1 96 96 VAL HG23 H 1 1.319 0.02 . . . . . A 96 VAL HG23 . 19654 1 1115 . 1 1 96 96 VAL CA C 13 67.249 0.5 . . . . . A 96 VAL CA . 19654 1 1116 . 1 1 96 96 VAL CB C 13 31.001 0.5 . . . . . A 96 VAL CB . 19654 1 1117 . 1 1 96 96 VAL CG1 C 13 22.039 0.5 . . . . . A 96 VAL CG1 . 19654 1 1118 . 1 1 96 96 VAL CG2 C 13 24.678 0.5 . . . . . A 96 VAL CG2 . 19654 1 1119 . 1 1 96 96 VAL N N 15 119.403 0.5 . . . . . A 96 VAL N . 19654 1 1120 . 1 1 97 97 THR H H 1 8.605 0.02 . . . . . A 97 THR H . 19654 1 1121 . 1 1 97 97 THR HA H 1 3.784 0.02 . . . . . A 97 THR HA . 19654 1 1122 . 1 1 97 97 THR HB H 1 4.341 0.02 . . . . . A 97 THR HB . 19654 1 1123 . 1 1 97 97 THR HG21 H 1 0.902 0.02 . . . . . A 97 THR HG21 . 19654 1 1124 . 1 1 97 97 THR HG22 H 1 0.902 0.02 . . . . . A 97 THR HG22 . 19654 1 1125 . 1 1 97 97 THR HG23 H 1 0.902 0.02 . . . . . A 97 THR HG23 . 19654 1 1126 . 1 1 97 97 THR CA C 13 68.159 0.5 . . . . . A 97 THR CA . 19654 1 1127 . 1 1 97 97 THR CB C 13 67.212 0.5 . . . . . A 97 THR CB . 19654 1 1128 . 1 1 97 97 THR CG2 C 13 21.000 0.5 . . . . . A 97 THR CG2 . 19654 1 1129 . 1 1 97 97 THR N N 15 122.016 0.5 . . . . . A 97 THR N . 19654 1 1130 . 1 1 98 98 LEU H H 1 7.769 0.02 . . . . . A 98 LEU H . 19654 1 1131 . 1 1 98 98 LEU HA H 1 3.805 0.02 . . . . . A 98 LEU HA . 19654 1 1132 . 1 1 98 98 LEU HB2 H 1 1.430 0.02 . . . . . A 98 LEU HB2 . 19654 1 1133 . 1 1 98 98 LEU HB3 H 1 2.190 0.02 . . . . . A 98 LEU HB3 . 19654 1 1134 . 1 1 98 98 LEU HG H 1 1.523 0.02 . . . . . A 98 LEU HG . 19654 1 1135 . 1 1 98 98 LEU HD11 H 1 0.835 0.02 . . . . . A 98 LEU HD11 . 19654 1 1136 . 1 1 98 98 LEU HD12 H 1 0.835 0.02 . . . . . A 98 LEU HD12 . 19654 1 1137 . 1 1 98 98 LEU HD13 H 1 0.835 0.02 . . . . . A 98 LEU HD13 . 19654 1 1138 . 1 1 98 98 LEU HD21 H 1 0.776 0.02 . . . . . A 98 LEU HD21 . 19654 1 1139 . 1 1 98 98 LEU HD22 H 1 0.776 0.02 . . . . . A 98 LEU HD22 . 19654 1 1140 . 1 1 98 98 LEU HD23 H 1 0.776 0.02 . . . . . A 98 LEU HD23 . 19654 1 1141 . 1 1 98 98 LEU CA C 13 58.818 0.5 . . . . . A 98 LEU CA . 19654 1 1142 . 1 1 98 98 LEU CB C 13 41.158 0.5 . . . . . A 98 LEU CB . 19654 1 1143 . 1 1 98 98 LEU CG C 13 27.285 0.5 . . . . . A 98 LEU CG . 19654 1 1144 . 1 1 98 98 LEU CD1 C 13 23.294 0.5 . . . . . A 98 LEU CD1 . 19654 1 1145 . 1 1 98 98 LEU CD2 C 13 25.705 0.5 . . . . . A 98 LEU CD2 . 19654 1 1146 . 1 1 98 98 LEU N N 15 122.476 0.5 . . . . . A 98 LEU N . 19654 1 1147 . 1 1 99 99 ILE H H 1 8.175 0.02 . . . . . A 99 ILE H . 19654 1 1148 . 1 1 99 99 ILE HA H 1 3.509 0.02 . . . . . A 99 ILE HA . 19654 1 1149 . 1 1 99 99 ILE HB H 1 1.791 0.02 . . . . . A 99 ILE HB . 19654 1 1150 . 1 1 99 99 ILE HG12 H 1 2.058 0.02 . . . . . A 99 ILE HG12 . 19654 1 1151 . 1 1 99 99 ILE HG13 H 1 0.829 0.02 . . . . . A 99 ILE HG13 . 19654 1 1152 . 1 1 99 99 ILE HG21 H 1 1.047 0.02 . . . . . A 99 ILE HG21 . 19654 1 1153 . 1 1 99 99 ILE HG22 H 1 1.047 0.02 . . . . . A 99 ILE HG22 . 19654 1 1154 . 1 1 99 99 ILE HG23 H 1 1.047 0.02 . . . . . A 99 ILE HG23 . 19654 1 1155 . 1 1 99 99 ILE HD11 H 1 0.893 0.02 . . . . . A 99 ILE HD11 . 19654 1 1156 . 1 1 99 99 ILE HD12 H 1 0.893 0.02 . . . . . A 99 ILE HD12 . 19654 1 1157 . 1 1 99 99 ILE HD13 H 1 0.893 0.02 . . . . . A 99 ILE HD13 . 19654 1 1158 . 1 1 99 99 ILE CA C 13 66.261 0.5 . . . . . A 99 ILE CA . 19654 1 1159 . 1 1 99 99 ILE CB C 13 38.350 0.5 . . . . . A 99 ILE CB . 19654 1 1160 . 1 1 99 99 ILE CG1 C 13 29.631 0.5 . . . . . A 99 ILE CG1 . 19654 1 1161 . 1 1 99 99 ILE CG2 C 13 18.564 0.5 . . . . . A 99 ILE CG2 . 19654 1 1162 . 1 1 99 99 ILE CD1 C 13 14.132 0.5 . . . . . A 99 ILE CD1 . 19654 1 1163 . 1 1 99 99 ILE N N 15 117.997 0.5 . . . . . A 99 ILE N . 19654 1 1164 . 1 1 100 100 SER H H 1 8.989 0.02 . . . . . A 100 SER H . 19654 1 1165 . 1 1 100 100 SER HA H 1 4.447 0.02 . . . . . A 100 SER HA . 19654 1 1166 . 1 1 100 100 SER HB2 H 1 4.087 0.02 . . . . . A 100 SER HB2 . 19654 1 1167 . 1 1 100 100 SER HB3 H 1 3.957 0.02 . . . . . A 100 SER HB3 . 19654 1 1168 . 1 1 100 100 SER HG H 1 4.390 0.02 . . . . . A 100 SER HG . 19654 1 1169 . 1 1 100 100 SER CA C 13 63.290 0.5 . . . . . A 100 SER CA . 19654 1 1170 . 1 1 100 100 SER CB C 13 62.867 0.5 . . . . . A 100 SER CB . 19654 1 1171 . 1 1 100 100 SER N N 15 116.934 0.5 . . . . . A 100 SER N . 19654 1 1172 . 1 1 101 101 PHE H H 1 8.513 0.02 . . . . . A 101 PHE H . 19654 1 1173 . 1 1 101 101 PHE HA H 1 3.420 0.02 . . . . . A 101 PHE HA . 19654 1 1174 . 1 1 101 101 PHE HB2 H 1 2.864 0.02 . . . . . A 101 PHE HB2 . 19654 1 1175 . 1 1 101 101 PHE HB3 H 1 2.382 0.02 . . . . . A 101 PHE HB3 . 19654 1 1176 . 1 1 101 101 PHE HD1 H 1 6.337 0.02 . . . . . A 101 PHE HD1 . 19654 1 1177 . 1 1 101 101 PHE HD2 H 1 6.337 0.02 . . . . . A 101 PHE HD2 . 19654 1 1178 . 1 1 101 101 PHE HE1 H 1 7.082 0.02 . . . . . A 101 PHE HE1 . 19654 1 1179 . 1 1 101 101 PHE HE2 H 1 7.082 0.02 . . . . . A 101 PHE HE2 . 19654 1 1180 . 1 1 101 101 PHE HZ H 1 6.770 0.02 . . . . . A 101 PHE HZ . 19654 1 1181 . 1 1 101 101 PHE CA C 13 60.499 0.5 . . . . . A 101 PHE CA . 19654 1 1182 . 1 1 101 101 PHE CB C 13 37.333 0.5 . . . . . A 101 PHE CB . 19654 1 1183 . 1 1 101 101 PHE CD2 C 13 131.139 0.5 . . . . . A 101 PHE CD2 . 19654 1 1184 . 1 1 101 101 PHE CE2 C 13 130.469 0.5 . . . . . A 101 PHE CE2 . 19654 1 1185 . 1 1 101 101 PHE CZ C 13 128.584 0.5 . . . . . A 101 PHE CZ . 19654 1 1186 . 1 1 101 101 PHE N N 15 124.640 0.5 . . . . . A 101 PHE N . 19654 1 1187 . 1 1 102 102 GLY H H 1 8.111 0.02 . . . . . A 102 GLY H . 19654 1 1188 . 1 1 102 102 GLY HA2 H 1 3.517 0.02 . . . . . A 102 GLY HA2 . 19654 1 1189 . 1 1 102 102 GLY HA3 H 1 3.269 0.02 . . . . . A 102 GLY HA3 . 19654 1 1190 . 1 1 102 102 GLY CA C 13 48.166 0.5 . . . . . A 102 GLY CA . 19654 1 1191 . 1 1 102 102 GLY N N 15 106.116 0.5 . . . . . A 102 GLY N . 19654 1 1192 . 1 1 103 103 ALA H H 1 8.437 0.02 . . . . . A 103 ALA H . 19654 1 1193 . 1 1 103 103 ALA HA H 1 3.780 0.02 . . . . . A 103 ALA HA . 19654 1 1194 . 1 1 103 103 ALA HB1 H 1 1.445 0.02 . . . . . A 103 ALA HB1 . 19654 1 1195 . 1 1 103 103 ALA HB2 H 1 1.445 0.02 . . . . . A 103 ALA HB2 . 19654 1 1196 . 1 1 103 103 ALA HB3 H 1 1.445 0.02 . . . . . A 103 ALA HB3 . 19654 1 1197 . 1 1 103 103 ALA CA C 13 55.646 0.5 . . . . . A 103 ALA CA . 19654 1 1198 . 1 1 103 103 ALA CB C 13 18.476 0.5 . . . . . A 103 ALA CB . 19654 1 1199 . 1 1 103 103 ALA N N 15 124.560 0.5 . . . . . A 103 ALA N . 19654 1 1200 . 1 1 104 104 PHE H H 1 8.213 0.02 . . . . . A 104 PHE H . 19654 1 1201 . 1 1 104 104 PHE HA H 1 3.989 0.02 . . . . . A 104 PHE HA . 19654 1 1202 . 1 1 104 104 PHE HB2 H 1 3.266 0.02 . . . . . A 104 PHE HB2 . 19654 1 1203 . 1 1 104 104 PHE HB3 H 1 3.266 0.02 . . . . . A 104 PHE HB3 . 19654 1 1204 . 1 1 104 104 PHE HD1 H 1 7.233 0.02 . . . . . A 104 PHE HD1 . 19654 1 1205 . 1 1 104 104 PHE HD2 H 1 7.233 0.02 . . . . . A 104 PHE HD2 . 19654 1 1206 . 1 1 104 104 PHE HE1 H 1 7.412 0.02 . . . . . A 104 PHE HE1 . 19654 1 1207 . 1 1 104 104 PHE HE2 H 1 7.412 0.02 . . . . . A 104 PHE HE2 . 19654 1 1208 . 1 1 104 104 PHE HZ H 1 7.339 0.02 . . . . . A 104 PHE HZ . 19654 1 1209 . 1 1 104 104 PHE CA C 13 62.258 0.5 . . . . . A 104 PHE CA . 19654 1 1210 . 1 1 104 104 PHE CB C 13 39.949 0.5 . . . . . A 104 PHE CB . 19654 1 1211 . 1 1 104 104 PHE CD1 C 13 131.730 0.5 . . . . . A 104 PHE CD1 . 19654 1 1212 . 1 1 104 104 PHE CE1 C 13 131.698 0.5 . . . . . A 104 PHE CE1 . 19654 1 1213 . 1 1 104 104 PHE CZ C 13 129.716 0.5 . . . . . A 104 PHE CZ . 19654 1 1214 . 1 1 104 104 PHE N N 15 120.981 0.5 . . . . . A 104 PHE N . 19654 1 1215 . 1 1 105 105 VAL H H 1 8.513 0.02 . . . . . A 105 VAL H . 19654 1 1216 . 1 1 105 105 VAL HA H 1 3.236 0.02 . . . . . A 105 VAL HA . 19654 1 1217 . 1 1 105 105 VAL HB H 1 1.844 0.02 . . . . . A 105 VAL HB . 19654 1 1218 . 1 1 105 105 VAL HG11 H 1 0.685 0.02 . . . . . A 105 VAL HG11 . 19654 1 1219 . 1 1 105 105 VAL HG12 H 1 0.685 0.02 . . . . . A 105 VAL HG12 . 19654 1 1220 . 1 1 105 105 VAL HG13 H 1 0.685 0.02 . . . . . A 105 VAL HG13 . 19654 1 1221 . 1 1 105 105 VAL HG21 H 1 0.246 0.02 . . . . . A 105 VAL HG21 . 19654 1 1222 . 1 1 105 105 VAL HG22 H 1 0.246 0.02 . . . . . A 105 VAL HG22 . 19654 1 1223 . 1 1 105 105 VAL HG23 H 1 0.246 0.02 . . . . . A 105 VAL HG23 . 19654 1 1224 . 1 1 105 105 VAL CA C 13 66.348 0.5 . . . . . A 105 VAL CA . 19654 1 1225 . 1 1 105 105 VAL CB C 13 30.720 0.5 . . . . . A 105 VAL CB . 19654 1 1226 . 1 1 105 105 VAL CG1 C 13 22.125 0.5 . . . . . A 105 VAL CG1 . 19654 1 1227 . 1 1 105 105 VAL CG2 C 13 23.279 0.5 . . . . . A 105 VAL CG2 . 19654 1 1228 . 1 1 105 105 VAL N N 15 120.473 0.5 . . . . . A 105 VAL N . 19654 1 1229 . 1 1 106 106 ALA H H 1 8.807 0.02 . . . . . A 106 ALA H . 19654 1 1230 . 1 1 106 106 ALA HA H 1 3.660 0.02 . . . . . A 106 ALA HA . 19654 1 1231 . 1 1 106 106 ALA HB1 H 1 1.348 0.02 . . . . . A 106 ALA HB1 . 19654 1 1232 . 1 1 106 106 ALA HB2 H 1 1.348 0.02 . . . . . A 106 ALA HB2 . 19654 1 1233 . 1 1 106 106 ALA HB3 H 1 1.348 0.02 . . . . . A 106 ALA HB3 . 19654 1 1234 . 1 1 106 106 ALA CA C 13 55.607 0.5 . . . . . A 106 ALA CA . 19654 1 1235 . 1 1 106 106 ALA CB C 13 18.003 0.5 . . . . . A 106 ALA CB . 19654 1 1236 . 1 1 106 106 ALA N N 15 123.948 0.5 . . . . . A 106 ALA N . 19654 1 1237 . 1 1 107 107 LYS H H 1 7.934 0.02 . . . . . A 107 LYS H . 19654 1 1238 . 1 1 107 107 LYS HA H 1 3.733 0.02 . . . . . A 107 LYS HA . 19654 1 1239 . 1 1 107 107 LYS HB2 H 1 1.771 0.02 . . . . . A 107 LYS HB2 . 19654 1 1240 . 1 1 107 107 LYS HB3 H 1 1.715 0.02 . . . . . A 107 LYS HB3 . 19654 1 1241 . 1 1 107 107 LYS HG2 H 1 1.473 0.02 . . . . . A 107 LYS HG2 . 19654 1 1242 . 1 1 107 107 LYS HG3 H 1 1.369 0.02 . . . . . A 107 LYS HG3 . 19654 1 1243 . 1 1 107 107 LYS HD2 H 1 1.623 0.02 . . . . . A 107 LYS HD2 . 19654 1 1244 . 1 1 107 107 LYS HD3 H 1 1.578 0.02 . . . . . A 107 LYS HD3 . 19654 1 1245 . 1 1 107 107 LYS HE2 H 1 2.870 0.02 . . . . . A 107 LYS HE2 . 19654 1 1246 . 1 1 107 107 LYS HE3 H 1 2.870 0.02 . . . . . A 107 LYS HE3 . 19654 1 1247 . 1 1 107 107 LYS CA C 13 60.462 0.5 . . . . . A 107 LYS CA . 19654 1 1248 . 1 1 107 107 LYS CB C 13 31.907 0.5 . . . . . A 107 LYS CB . 19654 1 1249 . 1 1 107 107 LYS CG C 13 25.941 0.5 . . . . . A 107 LYS CG . 19654 1 1250 . 1 1 107 107 LYS CD C 13 29.657 0.5 . . . . . A 107 LYS CD . 19654 1 1251 . 1 1 107 107 LYS CE C 13 42.077 0.5 . . . . . A 107 LYS CE . 19654 1 1252 . 1 1 107 107 LYS N N 15 115.836 0.5 . . . . . A 107 LYS N . 19654 1 1253 . 1 1 108 108 HIS H H 1 7.254 0.02 . . . . . A 108 HIS H . 19654 1 1254 . 1 1 108 108 HIS HA H 1 4.212 0.02 . . . . . A 108 HIS HA . 19654 1 1255 . 1 1 108 108 HIS HB2 H 1 3.297 0.02 . . . . . A 108 HIS HB2 . 19654 1 1256 . 1 1 108 108 HIS HB3 H 1 2.717 0.02 . . . . . A 108 HIS HB3 . 19654 1 1257 . 1 1 108 108 HIS HD2 H 1 6.398 0.02 . . . . . A 108 HIS HD2 . 19654 1 1258 . 1 1 108 108 HIS CA C 13 59.623 0.5 . . . . . A 108 HIS CA . 19654 1 1259 . 1 1 108 108 HIS CB C 13 29.838 0.5 . . . . . A 108 HIS CB . 19654 1 1260 . 1 1 108 108 HIS CD2 C 13 117.256 0.5 . . . . . A 108 HIS CD2 . 19654 1 1261 . 1 1 108 108 HIS CE1 C 13 136.184 0.5 . . . . . A 108 HIS CE1 . 19654 1 1262 . 1 1 108 108 HIS N N 15 120.459 0.5 . . . . . A 108 HIS N . 19654 1 1263 . 1 1 109 109 LEU H H 1 8.709 0.02 . . . . . A 109 LEU H . 19654 1 1264 . 1 1 109 109 LEU HA H 1 3.640 0.02 . . . . . A 109 LEU HA . 19654 1 1265 . 1 1 109 109 LEU HB2 H 1 1.195 0.02 . . . . . A 109 LEU HB2 . 19654 1 1266 . 1 1 109 109 LEU HB3 H 1 1.810 0.02 . . . . . A 109 LEU HB3 . 19654 1 1267 . 1 1 109 109 LEU HG H 1 1.864 0.02 . . . . . A 109 LEU HG . 19654 1 1268 . 1 1 109 109 LEU HD11 H 1 0.588 0.02 . . . . . A 109 LEU HD11 . 19654 1 1269 . 1 1 109 109 LEU HD12 H 1 0.588 0.02 . . . . . A 109 LEU HD12 . 19654 1 1270 . 1 1 109 109 LEU HD13 H 1 0.588 0.02 . . . . . A 109 LEU HD13 . 19654 1 1271 . 1 1 109 109 LEU HD21 H 1 0.693 0.02 . . . . . A 109 LEU HD21 . 19654 1 1272 . 1 1 109 109 LEU HD22 H 1 0.693 0.02 . . . . . A 109 LEU HD22 . 19654 1 1273 . 1 1 109 109 LEU HD23 H 1 0.693 0.02 . . . . . A 109 LEU HD23 . 19654 1 1274 . 1 1 109 109 LEU CA C 13 56.945 0.5 . . . . . A 109 LEU CA . 19654 1 1275 . 1 1 109 109 LEU CB C 13 39.709 0.5 . . . . . A 109 LEU CB . 19654 1 1276 . 1 1 109 109 LEU CG C 13 26.194 0.5 . . . . . A 109 LEU CG . 19654 1 1277 . 1 1 109 109 LEU CD1 C 13 26.436 0.5 . . . . . A 109 LEU CD1 . 19654 1 1278 . 1 1 109 109 LEU CD2 C 13 21.691 0.5 . . . . . A 109 LEU CD2 . 19654 1 1279 . 1 1 109 109 LEU N N 15 118.336 0.5 . . . . . A 109 LEU N . 19654 1 1280 . 1 1 110 110 LYS H H 1 7.752 0.02 . . . . . A 110 LYS H . 19654 1 1281 . 1 1 110 110 LYS HA H 1 3.944 0.02 . . . . . A 110 LYS HA . 19654 1 1282 . 1 1 110 110 LYS HB2 H 1 1.608 0.02 . . . . . A 110 LYS HB2 . 19654 1 1283 . 1 1 110 110 LYS HB3 H 1 2.143 0.02 . . . . . A 110 LYS HB3 . 19654 1 1284 . 1 1 110 110 LYS HG2 H 1 1.533 0.02 . . . . . A 110 LYS HG2 . 19654 1 1285 . 1 1 110 110 LYS HG3 H 1 1.388 0.02 . . . . . A 110 LYS HG3 . 19654 1 1286 . 1 1 110 110 LYS HD2 H 1 1.714 0.02 . . . . . A 110 LYS HD2 . 19654 1 1287 . 1 1 110 110 LYS HD3 H 1 1.445 0.02 . . . . . A 110 LYS HD3 . 19654 1 1288 . 1 1 110 110 LYS HE2 H 1 2.944 0.02 . . . . . A 110 LYS HE2 . 19654 1 1289 . 1 1 110 110 LYS HE3 H 1 2.944 0.02 . . . . . A 110 LYS HE3 . 19654 1 1290 . 1 1 110 110 LYS CA C 13 58.967 0.5 . . . . . A 110 LYS CA . 19654 1 1291 . 1 1 110 110 LYS CB C 13 32.220 0.5 . . . . . A 110 LYS CB . 19654 1 1292 . 1 1 110 110 LYS CG C 13 24.369 0.5 . . . . . A 110 LYS CG . 19654 1 1293 . 1 1 110 110 LYS CD C 13 28.836 0.5 . . . . . A 110 LYS CD . 19654 1 1294 . 1 1 110 110 LYS CE C 13 42.110 0.5 . . . . . A 110 LYS CE . 19654 1 1295 . 1 1 110 110 LYS N N 15 118.036 0.5 . . . . . A 110 LYS N . 19654 1 1296 . 1 1 111 111 THR H H 1 7.832 0.02 . . . . . A 111 THR H . 19654 1 1297 . 1 1 111 111 THR HA H 1 3.990 0.02 . . . . . A 111 THR HA . 19654 1 1298 . 1 1 111 111 THR HB H 1 4.350 0.02 . . . . . A 111 THR HB . 19654 1 1299 . 1 1 111 111 THR HG21 H 1 1.253 0.02 . . . . . A 111 THR HG21 . 19654 1 1300 . 1 1 111 111 THR HG22 H 1 1.253 0.02 . . . . . A 111 THR HG22 . 19654 1 1301 . 1 1 111 111 THR HG23 H 1 1.253 0.02 . . . . . A 111 THR HG23 . 19654 1 1302 . 1 1 111 111 THR CA C 13 65.921 0.5 . . . . . A 111 THR CA . 19654 1 1303 . 1 1 111 111 THR CB C 13 68.611 0.5 . . . . . A 111 THR CB . 19654 1 1304 . 1 1 111 111 THR CG2 C 13 21.742 0.5 . . . . . A 111 THR CG2 . 19654 1 1305 . 1 1 111 111 THR N N 15 115.985 0.5 . . . . . A 111 THR N . 19654 1 1306 . 1 1 112 112 ILE H H 1 7.262 0.02 . . . . . A 112 ILE H . 19654 1 1307 . 1 1 112 112 ILE HA H 1 4.454 0.02 . . . . . A 112 ILE HA . 19654 1 1308 . 1 1 112 112 ILE HB H 1 2.131 0.02 . . . . . A 112 ILE HB . 19654 1 1309 . 1 1 112 112 ILE HG12 H 1 0.975 0.02 . . . . . A 112 ILE HG12 . 19654 1 1310 . 1 1 112 112 ILE HG13 H 1 0.975 0.02 . . . . . A 112 ILE HG13 . 19654 1 1311 . 1 1 112 112 ILE HG21 H 1 0.591 0.02 . . . . . A 112 ILE HG21 . 19654 1 1312 . 1 1 112 112 ILE HG22 H 1 0.591 0.02 . . . . . A 112 ILE HG22 . 19654 1 1313 . 1 1 112 112 ILE HG23 H 1 0.591 0.02 . . . . . A 112 ILE HG23 . 19654 1 1314 . 1 1 112 112 ILE HD11 H 1 0.671 0.02 . . . . . A 112 ILE HD11 . 19654 1 1315 . 1 1 112 112 ILE HD12 H 1 0.671 0.02 . . . . . A 112 ILE HD12 . 19654 1 1316 . 1 1 112 112 ILE HD13 H 1 0.671 0.02 . . . . . A 112 ILE HD13 . 19654 1 1317 . 1 1 112 112 ILE CA C 13 60.922 0.5 . . . . . A 112 ILE CA . 19654 1 1318 . 1 1 112 112 ILE CB C 13 36.813 0.5 . . . . . A 112 ILE CB . 19654 1 1319 . 1 1 112 112 ILE CG1 C 13 26.168 0.5 . . . . . A 112 ILE CG1 . 19654 1 1320 . 1 1 112 112 ILE CG2 C 13 17.072 0.5 . . . . . A 112 ILE CG2 . 19654 1 1321 . 1 1 112 112 ILE CD1 C 13 14.155 0.5 . . . . . A 112 ILE CD1 . 19654 1 1322 . 1 1 112 112 ILE N N 15 112.606 0.5 . . . . . A 112 ILE N . 19654 1 1323 . 1 1 113 113 ASN H H 1 7.816 0.02 . . . . . A 113 ASN H . 19654 1 1324 . 1 1 113 113 ASN HA H 1 4.576 0.02 . . . . . A 113 ASN HA . 19654 1 1325 . 1 1 113 113 ASN HB2 H 1 3.188 0.02 . . . . . A 113 ASN HB2 . 19654 1 1326 . 1 1 113 113 ASN HB3 H 1 2.852 0.02 . . . . . A 113 ASN HB3 . 19654 1 1327 . 1 1 113 113 ASN HD21 H 1 7.645 0.02 . . . . . A 113 ASN HD21 . 19654 1 1328 . 1 1 113 113 ASN HD22 H 1 6.860 0.02 . . . . . A 113 ASN HD22 . 19654 1 1329 . 1 1 113 113 ASN CA C 13 54.653 0.5 . . . . . A 113 ASN CA . 19654 1 1330 . 1 1 113 113 ASN CB C 13 36.497 0.5 . . . . . A 113 ASN CB . 19654 1 1331 . 1 1 113 113 ASN N N 15 116.297 0.5 . . . . . A 113 ASN N . 19654 1 1332 . 1 1 113 113 ASN ND2 N 15 112.309 0.5 . . . . . A 113 ASN ND2 . 19654 1 1333 . 1 1 114 114 GLN H H 1 8.522 0.02 . . . . . A 114 GLN H . 19654 1 1334 . 1 1 114 114 GLN HA H 1 4.739 0.02 . . . . . A 114 GLN HA . 19654 1 1335 . 1 1 114 114 GLN HB2 H 1 2.361 0.02 . . . . . A 114 GLN HB2 . 19654 1 1336 . 1 1 114 114 GLN HB3 H 1 1.429 0.02 . . . . . A 114 GLN HB3 . 19654 1 1337 . 1 1 114 114 GLN HG2 H 1 2.241 0.02 . . . . . A 114 GLN HG2 . 19654 1 1338 . 1 1 114 114 GLN HG3 H 1 2.241 0.02 . . . . . A 114 GLN HG3 . 19654 1 1339 . 1 1 114 114 GLN HE21 H 1 7.268 0.02 . . . . . A 114 GLN HE21 . 19654 1 1340 . 1 1 114 114 GLN HE22 H 1 6.586 0.02 . . . . . A 114 GLN HE22 . 19654 1 1341 . 1 1 114 114 GLN CA C 13 54.079 0.5 . . . . . A 114 GLN CA . 19654 1 1342 . 1 1 114 114 GLN CB C 13 28.840 0.5 . . . . . A 114 GLN CB . 19654 1 1343 . 1 1 114 114 GLN CG C 13 32.888 0.5 . . . . . A 114 GLN CG . 19654 1 1344 . 1 1 114 114 GLN N N 15 117.958 0.5 . . . . . A 114 GLN N . 19654 1 1345 . 1 1 114 114 GLN NE2 N 15 109.961 0.5 . . . . . A 114 GLN NE2 . 19654 1 1346 . 1 1 115 115 GLU H H 1 8.881 0.02 . . . . . A 115 GLU H . 19654 1 1347 . 1 1 115 115 GLU HA H 1 3.646 0.02 . . . . . A 115 GLU HA . 19654 1 1348 . 1 1 115 115 GLU HB2 H 1 2.015 0.02 . . . . . A 115 GLU HB2 . 19654 1 1349 . 1 1 115 115 GLU HB3 H 1 2.015 0.02 . . . . . A 115 GLU HB3 . 19654 1 1350 . 1 1 115 115 GLU HG2 H 1 2.174 0.02 . . . . . A 115 GLU HG2 . 19654 1 1351 . 1 1 115 115 GLU HG3 H 1 2.174 0.02 . . . . . A 115 GLU HG3 . 19654 1 1352 . 1 1 115 115 GLU CA C 13 59.569 0.5 . . . . . A 115 GLU CA . 19654 1 1353 . 1 1 115 115 GLU CB C 13 29.061 0.5 . . . . . A 115 GLU CB . 19654 1 1354 . 1 1 115 115 GLU CG C 13 36.804 0.5 . . . . . A 115 GLU CG . 19654 1 1355 . 1 1 115 115 GLU N N 15 120.597 0.5 . . . . . A 115 GLU N . 19654 1 1356 . 1 1 116 116 SER H H 1 8.702 0.02 . . . . . A 116 SER H . 19654 1 1357 . 1 1 116 116 SER HA H 1 4.250 0.02 . . . . . A 116 SER HA . 19654 1 1358 . 1 1 116 116 SER HB2 H 1 4.023 0.02 . . . . . A 116 SER HB2 . 19654 1 1359 . 1 1 116 116 SER HB3 H 1 3.870 0.02 . . . . . A 116 SER HB3 . 19654 1 1360 . 1 1 116 116 SER CA C 13 60.593 0.5 . . . . . A 116 SER CA . 19654 1 1361 . 1 1 116 116 SER CB C 13 62.231 0.5 . . . . . A 116 SER CB . 19654 1 1362 . 1 1 116 116 SER N N 15 115.352 0.5 . . . . . A 116 SER N . 19654 1 1363 . 1 1 117 117 SER H H 1 7.963 0.02 . . . . . A 117 SER H . 19654 1 1364 . 1 1 117 117 SER HA H 1 4.461 0.02 . . . . . A 117 SER HA . 19654 1 1365 . 1 1 117 117 SER HB2 H 1 4.134 0.02 . . . . . A 117 SER HB2 . 19654 1 1366 . 1 1 117 117 SER HB3 H 1 3.969 0.02 . . . . . A 117 SER HB3 . 19654 1 1367 . 1 1 117 117 SER CA C 13 60.219 0.5 . . . . . A 117 SER CA . 19654 1 1368 . 1 1 117 117 SER CB C 13 64.116 0.5 . . . . . A 117 SER CB . 19654 1 1369 . 1 1 117 117 SER N N 15 116.944 0.5 . . . . . A 117 SER N . 19654 1 1370 . 1 1 118 118 ILE H H 1 7.945 0.02 . . . . . A 118 ILE H . 19654 1 1371 . 1 1 118 118 ILE HA H 1 3.419 0.02 . . . . . A 118 ILE HA . 19654 1 1372 . 1 1 118 118 ILE HB H 1 1.898 0.02 . . . . . A 118 ILE HB . 19654 1 1373 . 1 1 118 118 ILE HG12 H 1 1.797 0.02 . . . . . A 118 ILE HG12 . 19654 1 1374 . 1 1 118 118 ILE HG13 H 1 0.728 0.02 . . . . . A 118 ILE HG13 . 19654 1 1375 . 1 1 118 118 ILE HG21 H 1 0.737 0.02 . . . . . A 118 ILE HG21 . 19654 1 1376 . 1 1 118 118 ILE HG22 H 1 0.737 0.02 . . . . . A 118 ILE HG22 . 19654 1 1377 . 1 1 118 118 ILE HG23 H 1 0.737 0.02 . . . . . A 118 ILE HG23 . 19654 1 1378 . 1 1 118 118 ILE HD11 H 1 0.833 0.02 . . . . . A 118 ILE HD11 . 19654 1 1379 . 1 1 118 118 ILE HD12 H 1 0.833 0.02 . . . . . A 118 ILE HD12 . 19654 1 1380 . 1 1 118 118 ILE HD13 H 1 0.833 0.02 . . . . . A 118 ILE HD13 . 19654 1 1381 . 1 1 118 118 ILE CA C 13 66.227 0.5 . . . . . A 118 ILE CA . 19654 1 1382 . 1 1 118 118 ILE CB C 13 36.723 0.5 . . . . . A 118 ILE CB . 19654 1 1383 . 1 1 118 118 ILE CG1 C 13 31.098 0.5 . . . . . A 118 ILE CG1 . 19654 1 1384 . 1 1 118 118 ILE CG2 C 13 17.152 0.5 . . . . . A 118 ILE CG2 . 19654 1 1385 . 1 1 118 118 ILE CD1 C 13 13.565 0.5 . . . . . A 118 ILE CD1 . 19654 1 1386 . 1 1 118 118 ILE N N 15 122.505 0.5 . . . . . A 118 ILE N . 19654 1 1387 . 1 1 119 119 GLU H H 1 8.244 0.02 . . . . . A 119 GLU H . 19654 1 1388 . 1 1 119 119 GLU HA H 1 4.244 0.02 . . . . . A 119 GLU HA . 19654 1 1389 . 1 1 119 119 GLU HB2 H 1 2.096 0.02 . . . . . A 119 GLU HB2 . 19654 1 1390 . 1 1 119 119 GLU HB3 H 1 2.096 0.02 . . . . . A 119 GLU HB3 . 19654 1 1391 . 1 1 119 119 GLU HG2 H 1 2.313 0.02 . . . . . A 119 GLU HG2 . 19654 1 1392 . 1 1 119 119 GLU HG3 H 1 2.269 0.02 . . . . . A 119 GLU HG3 . 19654 1 1393 . 1 1 119 119 GLU CA C 13 61.540 0.5 . . . . . A 119 GLU CA . 19654 1 1394 . 1 1 119 119 GLU CB C 13 26.092 0.5 . . . . . A 119 GLU CB . 19654 1 1395 . 1 1 119 119 GLU CG C 13 36.419 0.5 . . . . . A 119 GLU CG . 19654 1 1396 . 1 1 119 119 GLU N N 15 119.604 0.5 . . . . . A 119 GLU N . 19654 1 1397 . 1 1 120 120 PRO HA H 1 4.446 0.02 . . . . . A 120 PRO HA . 19654 1 1398 . 1 1 120 120 PRO HB2 H 1 1.762 0.02 . . . . . A 120 PRO HB2 . 19654 1 1399 . 1 1 120 120 PRO HB3 H 1 2.290 0.02 . . . . . A 120 PRO HB3 . 19654 1 1400 . 1 1 120 120 PRO HG2 H 1 2.074 0.02 . . . . . A 120 PRO HG2 . 19654 1 1401 . 1 1 120 120 PRO HG3 H 1 2.223 0.02 . . . . . A 120 PRO HG3 . 19654 1 1402 . 1 1 120 120 PRO HD2 H 1 3.605 0.02 . . . . . A 120 PRO HD2 . 19654 1 1403 . 1 1 120 120 PRO HD3 H 1 3.785 0.02 . . . . . A 120 PRO HD3 . 19654 1 1404 . 1 1 120 120 PRO CA C 13 65.583 0.5 . . . . . A 120 PRO CA . 19654 1 1405 . 1 1 120 120 PRO CB C 13 30.167 0.5 . . . . . A 120 PRO CB . 19654 1 1406 . 1 1 120 120 PRO CG C 13 27.376 0.5 . . . . . A 120 PRO CG . 19654 1 1407 . 1 1 120 120 PRO CD C 13 49.411 0.5 . . . . . A 120 PRO CD . 19654 1 1408 . 1 1 121 121 LEU H H 1 7.587 0.02 . . . . . A 121 LEU H . 19654 1 1409 . 1 1 121 121 LEU HA H 1 3.990 0.02 . . . . . A 121 LEU HA . 19654 1 1410 . 1 1 121 121 LEU HB2 H 1 2.261 0.02 . . . . . A 121 LEU HB2 . 19654 1 1411 . 1 1 121 121 LEU HB3 H 1 1.324 0.02 . . . . . A 121 LEU HB3 . 19654 1 1412 . 1 1 121 121 LEU HG H 1 1.340 0.02 . . . . . A 121 LEU HG . 19654 1 1413 . 1 1 121 121 LEU HD11 H 1 0.809 0.02 . . . . . A 121 LEU HD11 . 19654 1 1414 . 1 1 121 121 LEU HD12 H 1 0.809 0.02 . . . . . A 121 LEU HD12 . 19654 1 1415 . 1 1 121 121 LEU HD13 H 1 0.809 0.02 . . . . . A 121 LEU HD13 . 19654 1 1416 . 1 1 121 121 LEU HD21 H 1 0.857 0.02 . . . . . A 121 LEU HD21 . 19654 1 1417 . 1 1 121 121 LEU HD22 H 1 0.857 0.02 . . . . . A 121 LEU HD22 . 19654 1 1418 . 1 1 121 121 LEU HD23 H 1 0.857 0.02 . . . . . A 121 LEU HD23 . 19654 1 1419 . 1 1 121 121 LEU CA C 13 58.436 0.5 . . . . . A 121 LEU CA . 19654 1 1420 . 1 1 121 121 LEU CB C 13 40.988 0.5 . . . . . A 121 LEU CB . 19654 1 1421 . 1 1 121 121 LEU CG C 13 26.684 0.5 . . . . . A 121 LEU CG . 19654 1 1422 . 1 1 121 121 LEU CD1 C 13 23.000 0.5 . . . . . A 121 LEU CD1 . 19654 1 1423 . 1 1 121 121 LEU CD2 C 13 26.946 0.5 . . . . . A 121 LEU CD2 . 19654 1 1424 . 1 1 121 121 LEU N N 15 120.974 0.5 . . . . . A 121 LEU N . 19654 1 1425 . 1 1 122 122 ALA H H 1 8.593 0.02 . . . . . A 122 ALA H . 19654 1 1426 . 1 1 122 122 ALA HA H 1 3.743 0.02 . . . . . A 122 ALA HA . 19654 1 1427 . 1 1 122 122 ALA HB1 H 1 1.439 0.02 . . . . . A 122 ALA HB1 . 19654 1 1428 . 1 1 122 122 ALA HB2 H 1 1.439 0.02 . . . . . A 122 ALA HB2 . 19654 1 1429 . 1 1 122 122 ALA HB3 H 1 1.439 0.02 . . . . . A 122 ALA HB3 . 19654 1 1430 . 1 1 122 122 ALA CA C 13 55.233 0.5 . . . . . A 122 ALA CA . 19654 1 1431 . 1 1 122 122 ALA CB C 13 17.687 0.5 . . . . . A 122 ALA CB . 19654 1 1432 . 1 1 122 122 ALA N N 15 121.982 0.5 . . . . . A 122 ALA N . 19654 1 1433 . 1 1 123 123 GLU H H 1 8.568 0.02 . . . . . A 123 GLU H . 19654 1 1434 . 1 1 123 123 GLU HA H 1 3.862 0.02 . . . . . A 123 GLU HA . 19654 1 1435 . 1 1 123 123 GLU HB2 H 1 2.192 0.02 . . . . . A 123 GLU HB2 . 19654 1 1436 . 1 1 123 123 GLU HB3 H 1 2.192 0.02 . . . . . A 123 GLU HB3 . 19654 1 1437 . 1 1 123 123 GLU HG2 H 1 2.488 0.02 . . . . . A 123 GLU HG2 . 19654 1 1438 . 1 1 123 123 GLU HG3 H 1 2.283 0.02 . . . . . A 123 GLU HG3 . 19654 1 1439 . 1 1 123 123 GLU CA C 13 59.995 0.5 . . . . . A 123 GLU CA . 19654 1 1440 . 1 1 123 123 GLU CB C 13 29.298 0.5 . . . . . A 123 GLU CB . 19654 1 1441 . 1 1 123 123 GLU CG C 13 36.479 0.5 . . . . . A 123 GLU CG . 19654 1 1442 . 1 1 123 123 GLU N N 15 120.516 0.5 . . . . . A 123 GLU N . 19654 1 1443 . 1 1 124 124 SER H H 1 8.282 0.02 . . . . . A 124 SER H . 19654 1 1444 . 1 1 124 124 SER HA H 1 4.367 0.02 . . . . . A 124 SER HA . 19654 1 1445 . 1 1 124 124 SER HB2 H 1 4.095 0.02 . . . . . A 124 SER HB2 . 19654 1 1446 . 1 1 124 124 SER HB3 H 1 3.965 0.02 . . . . . A 124 SER HB3 . 19654 1 1447 . 1 1 124 124 SER CA C 13 62.240 0.5 . . . . . A 124 SER CA . 19654 1 1448 . 1 1 124 124 SER CB C 13 63.074 0.5 . . . . . A 124 SER CB . 19654 1 1449 . 1 1 124 124 SER N N 15 116.054 0.5 . . . . . A 124 SER N . 19654 1 1450 . 1 1 125 125 ILE H H 1 8.343 0.02 . . . . . A 125 ILE H . 19654 1 1451 . 1 1 125 125 ILE HA H 1 3.627 0.02 . . . . . A 125 ILE HA . 19654 1 1452 . 1 1 125 125 ILE HB H 1 1.911 0.02 . . . . . A 125 ILE HB . 19654 1 1453 . 1 1 125 125 ILE HG12 H 1 1.691 0.02 . . . . . A 125 ILE HG12 . 19654 1 1454 . 1 1 125 125 ILE HG13 H 1 1.262 0.02 . . . . . A 125 ILE HG13 . 19654 1 1455 . 1 1 125 125 ILE HG21 H 1 0.856 0.02 . . . . . A 125 ILE HG21 . 19654 1 1456 . 1 1 125 125 ILE HG22 H 1 0.856 0.02 . . . . . A 125 ILE HG22 . 19654 1 1457 . 1 1 125 125 ILE HG23 H 1 0.856 0.02 . . . . . A 125 ILE HG23 . 19654 1 1458 . 1 1 125 125 ILE HD11 H 1 0.800 0.02 . . . . . A 125 ILE HD11 . 19654 1 1459 . 1 1 125 125 ILE HD12 H 1 0.800 0.02 . . . . . A 125 ILE HD12 . 19654 1 1460 . 1 1 125 125 ILE HD13 H 1 0.800 0.02 . . . . . A 125 ILE HD13 . 19654 1 1461 . 1 1 125 125 ILE CA C 13 64.655 0.5 . . . . . A 125 ILE CA . 19654 1 1462 . 1 1 125 125 ILE CB C 13 37.413 0.5 . . . . . A 125 ILE CB . 19654 1 1463 . 1 1 125 125 ILE CG1 C 13 28.784 0.5 . . . . . A 125 ILE CG1 . 19654 1 1464 . 1 1 125 125 ILE CG2 C 13 17.000 0.5 . . . . . A 125 ILE CG2 . 19654 1 1465 . 1 1 125 125 ILE CD1 C 13 13.000 0.5 . . . . . A 125 ILE CD1 . 19654 1 1466 . 1 1 125 125 ILE N N 15 120.575 0.5 . . . . . A 125 ILE N . 19654 1 1467 . 1 1 126 126 THR H H 1 8.056 0.02 . . . . . A 126 THR H . 19654 1 1468 . 1 1 126 126 THR HA H 1 3.482 0.02 . . . . . A 126 THR HA . 19654 1 1469 . 1 1 126 126 THR HB H 1 4.076 0.02 . . . . . A 126 THR HB . 19654 1 1470 . 1 1 126 126 THR HG21 H 1 0.694 0.02 . . . . . A 126 THR HG21 . 19654 1 1471 . 1 1 126 126 THR HG22 H 1 0.694 0.02 . . . . . A 126 THR HG22 . 19654 1 1472 . 1 1 126 126 THR HG23 H 1 0.694 0.02 . . . . . A 126 THR HG23 . 19654 1 1473 . 1 1 126 126 THR CA C 13 68.679 0.5 . . . . . A 126 THR CA . 19654 1 1474 . 1 1 126 126 THR CB C 13 67.075 0.5 . . . . . A 126 THR CB . 19654 1 1475 . 1 1 126 126 THR CG2 C 13 22.472 0.5 . . . . . A 126 THR CG2 . 19654 1 1476 . 1 1 126 126 THR N N 15 116.459 0.5 . . . . . A 126 THR N . 19654 1 1477 . 1 1 127 127 ASP H H 1 8.813 0.02 . . . . . A 127 ASP H . 19654 1 1478 . 1 1 127 127 ASP HA H 1 4.481 0.02 . . . . . A 127 ASP HA . 19654 1 1479 . 1 1 127 127 ASP HB2 H 1 2.824 0.02 . . . . . A 127 ASP HB2 . 19654 1 1480 . 1 1 127 127 ASP HB3 H 1 3.124 0.02 . . . . . A 127 ASP HB3 . 19654 1 1481 . 1 1 127 127 ASP CA C 13 58.322 0.5 . . . . . A 127 ASP CA . 19654 1 1482 . 1 1 127 127 ASP CB C 13 41.822 0.5 . . . . . A 127 ASP CB . 19654 1 1483 . 1 1 127 127 ASP N N 15 120.236 0.5 . . . . . A 127 ASP N . 19654 1 1484 . 1 1 128 128 VAL H H 1 7.949 0.02 . . . . . A 128 VAL H . 19654 1 1485 . 1 1 128 128 VAL HA H 1 3.677 0.02 . . . . . A 128 VAL HA . 19654 1 1486 . 1 1 128 128 VAL HB H 1 2.197 0.02 . . . . . A 128 VAL HB . 19654 1 1487 . 1 1 128 128 VAL HG11 H 1 0.881 0.02 . . . . . A 128 VAL HG11 . 19654 1 1488 . 1 1 128 128 VAL HG12 H 1 0.881 0.02 . . . . . A 128 VAL HG12 . 19654 1 1489 . 1 1 128 128 VAL HG13 H 1 0.881 0.02 . . . . . A 128 VAL HG13 . 19654 1 1490 . 1 1 128 128 VAL HG21 H 1 1.138 0.02 . . . . . A 128 VAL HG21 . 19654 1 1491 . 1 1 128 128 VAL HG22 H 1 1.138 0.02 . . . . . A 128 VAL HG22 . 19654 1 1492 . 1 1 128 128 VAL HG23 H 1 1.138 0.02 . . . . . A 128 VAL HG23 . 19654 1 1493 . 1 1 128 128 VAL CA C 13 66.346 0.5 . . . . . A 128 VAL CA . 19654 1 1494 . 1 1 128 128 VAL CB C 13 31.351 0.5 . . . . . A 128 VAL CB . 19654 1 1495 . 1 1 128 128 VAL CG1 C 13 21.176 0.5 . . . . . A 128 VAL CG1 . 19654 1 1496 . 1 1 128 128 VAL CG2 C 13 23.365 0.5 . . . . . A 128 VAL CG2 . 19654 1 1497 . 1 1 128 128 VAL N N 15 116.904 0.5 . . . . . A 128 VAL N . 19654 1 1498 . 1 1 129 129 LEU H H 1 8.198 0.02 . . . . . A 129 LEU H . 19654 1 1499 . 1 1 129 129 LEU HA H 1 3.819 0.02 . . . . . A 129 LEU HA . 19654 1 1500 . 1 1 129 129 LEU HB2 H 1 1.944 0.02 . . . . . A 129 LEU HB2 . 19654 1 1501 . 1 1 129 129 LEU HB3 H 1 1.591 0.02 . . . . . A 129 LEU HB3 . 19654 1 1502 . 1 1 129 129 LEU HG H 1 1.578 0.02 . . . . . A 129 LEU HG . 19654 1 1503 . 1 1 129 129 LEU HD11 H 1 0.861 0.02 . . . . . A 129 LEU HD11 . 19654 1 1504 . 1 1 129 129 LEU HD12 H 1 0.861 0.02 . . . . . A 129 LEU HD12 . 19654 1 1505 . 1 1 129 129 LEU HD13 H 1 0.861 0.02 . . . . . A 129 LEU HD13 . 19654 1 1506 . 1 1 129 129 LEU HD21 H 1 0.918 0.02 . . . . . A 129 LEU HD21 . 19654 1 1507 . 1 1 129 129 LEU HD22 H 1 0.918 0.02 . . . . . A 129 LEU HD22 . 19654 1 1508 . 1 1 129 129 LEU HD23 H 1 0.918 0.02 . . . . . A 129 LEU HD23 . 19654 1 1509 . 1 1 129 129 LEU CA C 13 58.742 0.5 . . . . . A 129 LEU CA . 19654 1 1510 . 1 1 129 129 LEU CB C 13 42.370 0.5 . . . . . A 129 LEU CB . 19654 1 1511 . 1 1 129 129 LEU CG C 13 27.000 0.5 . . . . . A 129 LEU CG . 19654 1 1512 . 1 1 129 129 LEU CD1 C 13 24.305 0.5 . . . . . A 129 LEU CD1 . 19654 1 1513 . 1 1 129 129 LEU CD2 C 13 25.235 0.5 . . . . . A 129 LEU CD2 . 19654 1 1514 . 1 1 129 129 LEU N N 15 121.043 0.5 . . . . . A 129 LEU N . 19654 1 1515 . 1 1 130 130 VAL H H 1 8.858 0.02 . . . . . A 130 VAL H . 19654 1 1516 . 1 1 130 130 VAL HA H 1 3.525 0.02 . . . . . A 130 VAL HA . 19654 1 1517 . 1 1 130 130 VAL HB H 1 2.250 0.02 . . . . . A 130 VAL HB . 19654 1 1518 . 1 1 130 130 VAL HG11 H 1 1.019 0.02 . . . . . A 130 VAL HG11 . 19654 1 1519 . 1 1 130 130 VAL HG12 H 1 1.019 0.02 . . . . . A 130 VAL HG12 . 19654 1 1520 . 1 1 130 130 VAL HG13 H 1 1.019 0.02 . . . . . A 130 VAL HG13 . 19654 1 1521 . 1 1 130 130 VAL HG21 H 1 1.074 0.02 . . . . . A 130 VAL HG21 . 19654 1 1522 . 1 1 130 130 VAL HG22 H 1 1.074 0.02 . . . . . A 130 VAL HG22 . 19654 1 1523 . 1 1 130 130 VAL HG23 H 1 1.074 0.02 . . . . . A 130 VAL HG23 . 19654 1 1524 . 1 1 130 130 VAL CA C 13 66.004 0.5 . . . . . A 130 VAL CA . 19654 1 1525 . 1 1 130 130 VAL CB C 13 31.320 0.5 . . . . . A 130 VAL CB . 19654 1 1526 . 1 1 130 130 VAL CG1 C 13 22.178 0.5 . . . . . A 130 VAL CG1 . 19654 1 1527 . 1 1 130 130 VAL CG2 C 13 23.091 0.5 . . . . . A 130 VAL CG2 . 19654 1 1528 . 1 1 130 130 VAL N N 15 114.370 0.5 . . . . . A 130 VAL N . 19654 1 1529 . 1 1 131 131 ARG H H 1 8.619 0.02 . . . . . A 131 ARG H . 19654 1 1530 . 1 1 131 131 ARG HA H 1 4.284 0.02 . . . . . A 131 ARG HA . 19654 1 1531 . 1 1 131 131 ARG HB2 H 1 1.902 0.02 . . . . . A 131 ARG HB2 . 19654 1 1532 . 1 1 131 131 ARG HB3 H 1 2.073 0.02 . . . . . A 131 ARG HB3 . 19654 1 1533 . 1 1 131 131 ARG HG2 H 1 1.818 0.02 . . . . . A 131 ARG HG2 . 19654 1 1534 . 1 1 131 131 ARG HG3 H 1 1.659 0.02 . . . . . A 131 ARG HG3 . 19654 1 1535 . 1 1 131 131 ARG HD2 H 1 3.202 0.02 . . . . . A 131 ARG HD2 . 19654 1 1536 . 1 1 131 131 ARG HD3 H 1 3.202 0.02 . . . . . A 131 ARG HD3 . 19654 1 1537 . 1 1 131 131 ARG CA C 13 59.255 0.5 . . . . . A 131 ARG CA . 19654 1 1538 . 1 1 131 131 ARG CB C 13 30.009 0.5 . . . . . A 131 ARG CB . 19654 1 1539 . 1 1 131 131 ARG CG C 13 28.233 0.5 . . . . . A 131 ARG CG . 19654 1 1540 . 1 1 131 131 ARG CD C 13 43.140 0.5 . . . . . A 131 ARG CD . 19654 1 1541 . 1 1 131 131 ARG N N 15 115.890 0.5 . . . . . A 131 ARG N . 19654 1 1542 . 1 1 132 132 THR H H 1 7.530 0.02 . . . . . A 132 THR H . 19654 1 1543 . 1 1 132 132 THR HA H 1 4.464 0.02 . . . . . A 132 THR HA . 19654 1 1544 . 1 1 132 132 THR HB H 1 4.207 0.02 . . . . . A 132 THR HB . 19654 1 1545 . 1 1 132 132 THR HG21 H 1 1.270 0.02 . . . . . A 132 THR HG21 . 19654 1 1546 . 1 1 132 132 THR HG22 H 1 1.270 0.02 . . . . . A 132 THR HG22 . 19654 1 1547 . 1 1 132 132 THR HG23 H 1 1.270 0.02 . . . . . A 132 THR HG23 . 19654 1 1548 . 1 1 132 132 THR CA C 13 64.081 0.5 . . . . . A 132 THR CA . 19654 1 1549 . 1 1 132 132 THR CB C 13 69.870 0.5 . . . . . A 132 THR CB . 19654 1 1550 . 1 1 132 132 THR CG2 C 13 21.787 0.5 . . . . . A 132 THR CG2 . 19654 1 1551 . 1 1 132 132 THR N N 15 106.654 0.5 . . . . . A 132 THR N . 19654 1 1552 . 1 1 133 133 LYS H H 1 7.691 0.02 . . . . . A 133 LYS H . 19654 1 1553 . 1 1 133 133 LYS HA H 1 5.029 0.02 . . . . . A 133 LYS HA . 19654 1 1554 . 1 1 133 133 LYS HB2 H 1 2.000 0.02 . . . . . A 133 LYS HB2 . 19654 1 1555 . 1 1 133 133 LYS HB3 H 1 1.973 0.02 . . . . . A 133 LYS HB3 . 19654 1 1556 . 1 1 133 133 LYS HG2 H 1 1.344 0.02 . . . . . A 133 LYS HG2 . 19654 1 1557 . 1 1 133 133 LYS HG3 H 1 1.309 0.02 . . . . . A 133 LYS HG3 . 19654 1 1558 . 1 1 133 133 LYS HD2 H 1 1.456 0.02 . . . . . A 133 LYS HD2 . 19654 1 1559 . 1 1 133 133 LYS HD3 H 1 1.107 0.02 . . . . . A 133 LYS HD3 . 19654 1 1560 . 1 1 133 133 LYS HE2 H 1 2.267 0.02 . . . . . A 133 LYS HE2 . 19654 1 1561 . 1 1 133 133 LYS HE3 H 1 2.128 0.02 . . . . . A 133 LYS HE3 . 19654 1 1562 . 1 1 133 133 LYS CA C 13 53.009 0.5 . . . . . A 133 LYS CA . 19654 1 1563 . 1 1 133 133 LYS CB C 13 31.044 0.5 . . . . . A 133 LYS CB . 19654 1 1564 . 1 1 133 133 LYS CG C 13 23.426 0.5 . . . . . A 133 LYS CG . 19654 1 1565 . 1 1 133 133 LYS CD C 13 27.757 0.5 . . . . . A 133 LYS CD . 19654 1 1566 . 1 1 133 133 LYS CE C 13 41.800 0.5 . . . . . A 133 LYS CE . 19654 1 1567 . 1 1 133 133 LYS N N 15 117.426 0.5 . . . . . A 133 LYS N . 19654 1 1568 . 1 1 134 134 ARG H H 1 7.341 0.02 . . . . . A 134 ARG H . 19654 1 1569 . 1 1 134 134 ARG HA H 1 3.679 0.02 . . . . . A 134 ARG HA . 19654 1 1570 . 1 1 134 134 ARG HB2 H 1 1.666 0.02 . . . . . A 134 ARG HB2 . 19654 1 1571 . 1 1 134 134 ARG HB3 H 1 2.667 0.02 . . . . . A 134 ARG HB3 . 19654 1 1572 . 1 1 134 134 ARG HG2 H 1 1.570 0.02 . . . . . A 134 ARG HG2 . 19654 1 1573 . 1 1 134 134 ARG HG3 H 1 1.481 0.02 . . . . . A 134 ARG HG3 . 19654 1 1574 . 1 1 134 134 ARG HD2 H 1 3.335 0.02 . . . . . A 134 ARG HD2 . 19654 1 1575 . 1 1 134 134 ARG HD3 H 1 3.169 0.02 . . . . . A 134 ARG HD3 . 19654 1 1576 . 1 1 134 134 ARG HE H 1 7.476 0.02 . . . . . A 134 ARG HE . 19654 1 1577 . 1 1 134 134 ARG CA C 13 61.456 0.5 . . . . . A 134 ARG CA . 19654 1 1578 . 1 1 134 134 ARG CB C 13 30.261 0.5 . . . . . A 134 ARG CB . 19654 1 1579 . 1 1 134 134 ARG CG C 13 27.875 0.5 . . . . . A 134 ARG CG . 19654 1 1580 . 1 1 134 134 ARG CD C 13 42.791 0.5 . . . . . A 134 ARG CD . 19654 1 1581 . 1 1 134 134 ARG N N 15 120.904 0.5 . . . . . A 134 ARG N . 19654 1 1582 . 1 1 134 134 ARG NE N 15 83.544 0.5 . . . . . A 134 ARG NE . 19654 1 1583 . 1 1 135 135 ASP H H 1 8.386 0.02 . . . . . A 135 ASP H . 19654 1 1584 . 1 1 135 135 ASP HA H 1 4.238 0.02 . . . . . A 135 ASP HA . 19654 1 1585 . 1 1 135 135 ASP HB2 H 1 2.625 0.02 . . . . . A 135 ASP HB2 . 19654 1 1586 . 1 1 135 135 ASP HB3 H 1 2.625 0.02 . . . . . A 135 ASP HB3 . 19654 1 1587 . 1 1 135 135 ASP CA C 13 57.595 0.5 . . . . . A 135 ASP CA . 19654 1 1588 . 1 1 135 135 ASP CB C 13 39.961 0.5 . . . . . A 135 ASP CB . 19654 1 1589 . 1 1 135 135 ASP N N 15 114.262 0.5 . . . . . A 135 ASP N . 19654 1 1590 . 1 1 136 136 TRP H H 1 7.844 0.02 . . . . . A 136 TRP H . 19654 1 1591 . 1 1 136 136 TRP HA H 1 3.858 0.02 . . . . . A 136 TRP HA . 19654 1 1592 . 1 1 136 136 TRP HB2 H 1 3.059 0.02 . . . . . A 136 TRP HB2 . 19654 1 1593 . 1 1 136 136 TRP HB3 H 1 3.169 0.02 . . . . . A 136 TRP HB3 . 19654 1 1594 . 1 1 136 136 TRP HD1 H 1 7.340 0.02 . . . . . A 136 TRP HD1 . 19654 1 1595 . 1 1 136 136 TRP HE3 H 1 7.350 0.02 . . . . . A 136 TRP HE3 . 19654 1 1596 . 1 1 136 136 TRP HZ2 H 1 7.320 0.02 . . . . . A 136 TRP HZ2 . 19654 1 1597 . 1 1 136 136 TRP HZ3 H 1 6.860 0.02 . . . . . A 136 TRP HZ3 . 19654 1 1598 . 1 1 136 136 TRP HH2 H 1 7.000 0.02 . . . . . A 136 TRP HH2 . 19654 1 1599 . 1 1 136 136 TRP CA C 13 62.373 0.5 . . . . . A 136 TRP CA . 19654 1 1600 . 1 1 136 136 TRP CB C 13 28.807 0.5 . . . . . A 136 TRP CB . 19654 1 1601 . 1 1 136 136 TRP CD1 C 13 126.361 0.5 . . . . . A 136 TRP CD1 . 19654 1 1602 . 1 1 136 136 TRP CE3 C 13 120.361 0.5 . . . . . A 136 TRP CE3 . 19654 1 1603 . 1 1 136 136 TRP CZ2 C 13 114.361 0.5 . . . . . A 136 TRP CZ2 . 19654 1 1604 . 1 1 136 136 TRP CZ3 C 13 122.361 0.5 . . . . . A 136 TRP CZ3 . 19654 1 1605 . 1 1 136 136 TRP CH2 C 13 124.361 0.5 . . . . . A 136 TRP CH2 . 19654 1 1606 . 1 1 136 136 TRP N N 15 121.564 0.5 . . . . . A 136 TRP N . 19654 1 1607 . 1 1 137 137 LEU H H 1 8.623 0.02 . . . . . A 137 LEU H . 19654 1 1608 . 1 1 137 137 LEU HA H 1 3.461 0.02 . . . . . A 137 LEU HA . 19654 1 1609 . 1 1 137 137 LEU HB2 H 1 2.084 0.02 . . . . . A 137 LEU HB2 . 19654 1 1610 . 1 1 137 137 LEU HB3 H 1 1.119 0.02 . . . . . A 137 LEU HB3 . 19654 1 1611 . 1 1 137 137 LEU HG H 1 1.717 0.02 . . . . . A 137 LEU HG . 19654 1 1612 . 1 1 137 137 LEU HD11 H 1 0.668 0.02 . . . . . A 137 LEU HD11 . 19654 1 1613 . 1 1 137 137 LEU HD12 H 1 0.668 0.02 . . . . . A 137 LEU HD12 . 19654 1 1614 . 1 1 137 137 LEU HD13 H 1 0.668 0.02 . . . . . A 137 LEU HD13 . 19654 1 1615 . 1 1 137 137 LEU HD21 H 1 0.578 0.02 . . . . . A 137 LEU HD21 . 19654 1 1616 . 1 1 137 137 LEU HD22 H 1 0.578 0.02 . . . . . A 137 LEU HD22 . 19654 1 1617 . 1 1 137 137 LEU HD23 H 1 0.578 0.02 . . . . . A 137 LEU HD23 . 19654 1 1618 . 1 1 137 137 LEU CA C 13 58.325 0.5 . . . . . A 137 LEU CA . 19654 1 1619 . 1 1 137 137 LEU CB C 13 42.979 0.5 . . . . . A 137 LEU CB . 19654 1 1620 . 1 1 137 137 LEU CG C 13 27.000 0.5 . . . . . A 137 LEU CG . 19654 1 1621 . 1 1 137 137 LEU CD1 C 13 25.706 0.5 . . . . . A 137 LEU CD1 . 19654 1 1622 . 1 1 137 137 LEU CD2 C 13 24.033 0.5 . . . . . A 137 LEU CD2 . 19654 1 1623 . 1 1 137 137 LEU N N 15 117.395 0.5 . . . . . A 137 LEU N . 19654 1 1624 . 1 1 138 138 VAL H H 1 8.631 0.02 . . . . . A 138 VAL H . 19654 1 1625 . 1 1 138 138 VAL HA H 1 3.586 0.02 . . . . . A 138 VAL HA . 19654 1 1626 . 1 1 138 138 VAL HB H 1 2.109 0.02 . . . . . A 138 VAL HB . 19654 1 1627 . 1 1 138 138 VAL HG11 H 1 0.919 0.02 . . . . . A 138 VAL HG11 . 19654 1 1628 . 1 1 138 138 VAL HG12 H 1 0.919 0.02 . . . . . A 138 VAL HG12 . 19654 1 1629 . 1 1 138 138 VAL HG13 H 1 0.919 0.02 . . . . . A 138 VAL HG13 . 19654 1 1630 . 1 1 138 138 VAL HG21 H 1 1.092 0.02 . . . . . A 138 VAL HG21 . 19654 1 1631 . 1 1 138 138 VAL HG22 H 1 1.092 0.02 . . . . . A 138 VAL HG22 . 19654 1 1632 . 1 1 138 138 VAL HG23 H 1 1.092 0.02 . . . . . A 138 VAL HG23 . 19654 1 1633 . 1 1 138 138 VAL CA C 13 66.501 0.5 . . . . . A 138 VAL CA . 19654 1 1634 . 1 1 138 138 VAL CB C 13 31.588 0.5 . . . . . A 138 VAL CB . 19654 1 1635 . 1 1 138 138 VAL CG1 C 13 20.930 0.5 . . . . . A 138 VAL CG1 . 19654 1 1636 . 1 1 138 138 VAL CG2 C 13 22.894 0.5 . . . . . A 138 VAL CG2 . 19654 1 1637 . 1 1 138 138 VAL N N 15 118.341 0.5 . . . . . A 138 VAL N . 19654 1 1638 . 1 1 139 139 LYS H H 1 7.695 0.02 . . . . . A 139 LYS H . 19654 1 1639 . 1 1 139 139 LYS HA H 1 3.941 0.02 . . . . . A 139 LYS HA . 19654 1 1640 . 1 1 139 139 LYS HB2 H 1 1.749 0.02 . . . . . A 139 LYS HB2 . 19654 1 1641 . 1 1 139 139 LYS HB3 H 1 1.714 0.02 . . . . . A 139 LYS HB3 . 19654 1 1642 . 1 1 139 139 LYS HG2 H 1 1.429 0.02 . . . . . A 139 LYS HG2 . 19654 1 1643 . 1 1 139 139 LYS HG3 H 1 1.355 0.02 . . . . . A 139 LYS HG3 . 19654 1 1644 . 1 1 139 139 LYS HD2 H 1 1.670 0.02 . . . . . A 139 LYS HD2 . 19654 1 1645 . 1 1 139 139 LYS HD3 H 1 1.562 0.02 . . . . . A 139 LYS HD3 . 19654 1 1646 . 1 1 139 139 LYS HE2 H 1 2.904 0.02 . . . . . A 139 LYS HE2 . 19654 1 1647 . 1 1 139 139 LYS HE3 H 1 2.904 0.02 . . . . . A 139 LYS HE3 . 19654 1 1648 . 1 1 139 139 LYS CA C 13 58.925 0.5 . . . . . A 139 LYS CA . 19654 1 1649 . 1 1 139 139 LYS CB C 13 31.752 0.5 . . . . . A 139 LYS CB . 19654 1 1650 . 1 1 139 139 LYS CG C 13 25.263 0.5 . . . . . A 139 LYS CG . 19654 1 1651 . 1 1 139 139 LYS CD C 13 28.900 0.5 . . . . . A 139 LYS CD . 19654 1 1652 . 1 1 139 139 LYS CE C 13 42.048 0.5 . . . . . A 139 LYS CE . 19654 1 1653 . 1 1 139 139 LYS N N 15 122.096 0.5 . . . . . A 139 LYS N . 19654 1 1654 . 1 1 140 140 GLN H H 1 7.344 0.02 . . . . . A 140 GLN H . 19654 1 1655 . 1 1 140 140 GLN HA H 1 3.970 0.02 . . . . . A 140 GLN HA . 19654 1 1656 . 1 1 140 140 GLN HB2 H 1 2.227 0.02 . . . . . A 140 GLN HB2 . 19654 1 1657 . 1 1 140 140 GLN HB3 H 1 1.176 0.02 . . . . . A 140 GLN HB3 . 19654 1 1658 . 1 1 140 140 GLN HG2 H 1 0.926 0.02 . . . . . A 140 GLN HG2 . 19654 1 1659 . 1 1 140 140 GLN HG3 H 1 -0.049 0.02 . . . . . A 140 GLN HG3 . 19654 1 1660 . 1 1 140 140 GLN HE21 H 1 6.538 0.02 . . . . . A 140 GLN HE21 . 19654 1 1661 . 1 1 140 140 GLN HE22 H 1 5.821 0.02 . . . . . A 140 GLN HE22 . 19654 1 1662 . 1 1 140 140 GLN CA C 13 54.309 0.5 . . . . . A 140 GLN CA . 19654 1 1663 . 1 1 140 140 GLN CB C 13 27.174 0.5 . . . . . A 140 GLN CB . 19654 1 1664 . 1 1 140 140 GLN CG C 13 31.109 0.5 . . . . . A 140 GLN CG . 19654 1 1665 . 1 1 140 140 GLN N N 15 115.416 0.5 . . . . . A 140 GLN N . 19654 1 1666 . 1 1 140 140 GLN NE2 N 15 111.757 0.5 . . . . . A 140 GLN NE2 . 19654 1 1667 . 1 1 141 141 ARG H H 1 7.677 0.02 . . . . . A 141 ARG H . 19654 1 1668 . 1 1 141 141 ARG HA H 1 3.899 0.02 . . . . . A 141 ARG HA . 19654 1 1669 . 1 1 141 141 ARG HB2 H 1 2.176 0.02 . . . . . A 141 ARG HB2 . 19654 1 1670 . 1 1 141 141 ARG HB3 H 1 2.084 0.02 . . . . . A 141 ARG HB3 . 19654 1 1671 . 1 1 141 141 ARG HG2 H 1 1.578 0.02 . . . . . A 141 ARG HG2 . 19654 1 1672 . 1 1 141 141 ARG HG3 H 1 1.477 0.02 . . . . . A 141 ARG HG3 . 19654 1 1673 . 1 1 141 141 ARG HD2 H 1 3.237 0.02 . . . . . A 141 ARG HD2 . 19654 1 1674 . 1 1 141 141 ARG HD3 H 1 3.237 0.02 . . . . . A 141 ARG HD3 . 19654 1 1675 . 1 1 141 141 ARG HE H 1 7.359 0.02 . . . . . A 141 ARG HE . 19654 1 1676 . 1 1 141 141 ARG CA C 13 57.400 0.5 . . . . . A 141 ARG CA . 19654 1 1677 . 1 1 141 141 ARG CB C 13 25.640 0.5 . . . . . A 141 ARG CB . 19654 1 1678 . 1 1 141 141 ARG CG C 13 27.931 0.5 . . . . . A 141 ARG CG . 19654 1 1679 . 1 1 141 141 ARG CD C 13 43.080 0.5 . . . . . A 141 ARG CD . 19654 1 1680 . 1 1 141 141 ARG N N 15 110.160 0.5 . . . . . A 141 ARG N . 19654 1 1681 . 1 1 141 141 ARG NE N 15 84.601 0.5 . . . . . A 141 ARG NE . 19654 1 1682 . 1 1 142 142 GLY H H 1 8.931 0.02 . . . . . A 142 GLY H . 19654 1 1683 . 1 1 142 142 GLY HA2 H 1 3.897 0.02 . . . . . A 142 GLY HA2 . 19654 1 1684 . 1 1 142 142 GLY HA3 H 1 3.031 0.02 . . . . . A 142 GLY HA3 . 19654 1 1685 . 1 1 142 142 GLY CA C 13 45.633 0.5 . . . . . A 142 GLY CA . 19654 1 1686 . 1 1 142 142 GLY N N 15 107.741 0.5 . . . . . A 142 GLY N . 19654 1 1687 . 1 1 143 143 TRP H H 1 9.004 0.02 . . . . . A 143 TRP H . 19654 1 1688 . 1 1 143 143 TRP HA H 1 4.273 0.02 . . . . . A 143 TRP HA . 19654 1 1689 . 1 1 143 143 TRP HB2 H 1 3.082 0.02 . . . . . A 143 TRP HB2 . 19654 1 1690 . 1 1 143 143 TRP HB3 H 1 2.791 0.02 . . . . . A 143 TRP HB3 . 19654 1 1691 . 1 1 143 143 TRP HD1 H 1 7.077 0.02 . . . . . A 143 TRP HD1 . 19654 1 1692 . 1 1 143 143 TRP HE1 H 1 10.451 0.02 . . . . . A 143 TRP HE1 . 19654 1 1693 . 1 1 143 143 TRP HE3 H 1 6.953 0.02 . . . . . A 143 TRP HE3 . 19654 1 1694 . 1 1 143 143 TRP HZ2 H 1 7.020 0.02 . . . . . A 143 TRP HZ2 . 19654 1 1695 . 1 1 143 143 TRP HZ3 H 1 5.255 0.02 . . . . . A 143 TRP HZ3 . 19654 1 1696 . 1 1 143 143 TRP HH2 H 1 6.504 0.02 . . . . . A 143 TRP HH2 . 19654 1 1697 . 1 1 143 143 TRP CA C 13 59.317 0.5 . . . . . A 143 TRP CA . 19654 1 1698 . 1 1 143 143 TRP CB C 13 28.435 0.5 . . . . . A 143 TRP CB . 19654 1 1699 . 1 1 143 143 TRP CD1 C 13 125.285 0.5 . . . . . A 143 TRP CD1 . 19654 1 1700 . 1 1 143 143 TRP CE3 C 13 119.972 0.5 . . . . . A 143 TRP CE3 . 19654 1 1701 . 1 1 143 143 TRP CZ2 C 13 111.872 0.5 . . . . . A 143 TRP CZ2 . 19654 1 1702 . 1 1 143 143 TRP CZ3 C 13 119.723 0.5 . . . . . A 143 TRP CZ3 . 19654 1 1703 . 1 1 143 143 TRP CH2 C 13 122.362 0.5 . . . . . A 143 TRP CH2 . 19654 1 1704 . 1 1 143 143 TRP N N 15 123.871 0.5 . . . . . A 143 TRP N . 19654 1 1705 . 1 1 143 143 TRP NE1 N 15 127.507 0.5 . . . . . A 143 TRP NE1 . 19654 1 1706 . 1 1 144 144 ASP H H 1 8.071 0.02 . . . . . A 144 ASP H . 19654 1 1707 . 1 1 144 144 ASP HA H 1 4.553 0.02 . . . . . A 144 ASP HA . 19654 1 1708 . 1 1 144 144 ASP HB2 H 1 2.661 0.02 . . . . . A 144 ASP HB2 . 19654 1 1709 . 1 1 144 144 ASP HB3 H 1 2.945 0.02 . . . . . A 144 ASP HB3 . 19654 1 1710 . 1 1 144 144 ASP CA C 13 57.825 0.5 . . . . . A 144 ASP CA . 19654 1 1711 . 1 1 144 144 ASP CB C 13 40.435 0.5 . . . . . A 144 ASP CB . 19654 1 1712 . 1 1 144 144 ASP N N 15 119.481 0.5 . . . . . A 144 ASP N . 19654 1 1713 . 1 1 145 145 GLY H H 1 7.493 0.02 . . . . . A 145 GLY H . 19654 1 1714 . 1 1 145 145 GLY HA2 H 1 4.580 0.02 . . . . . A 145 GLY HA2 . 19654 1 1715 . 1 1 145 145 GLY HA3 H 1 3.809 0.02 . . . . . A 145 GLY HA3 . 19654 1 1716 . 1 1 145 145 GLY CA C 13 46.856 0.5 . . . . . A 145 GLY CA . 19654 1 1717 . 1 1 145 145 GLY N N 15 109.653 0.5 . . . . . A 145 GLY N . 19654 1 1718 . 1 1 146 146 PHE H H 1 7.257 0.02 . . . . . A 146 PHE H . 19654 1 1719 . 1 1 146 146 PHE HA H 1 2.455 0.02 . . . . . A 146 PHE HA . 19654 1 1720 . 1 1 146 146 PHE HB2 H 1 3.070 0.02 . . . . . A 146 PHE HB2 . 19654 1 1721 . 1 1 146 146 PHE HB3 H 1 1.591 0.02 . . . . . A 146 PHE HB3 . 19654 1 1722 . 1 1 146 146 PHE HD1 H 1 7.014 0.02 . . . . . A 146 PHE HD1 . 19654 1 1723 . 1 1 146 146 PHE HD2 H 1 7.014 0.02 . . . . . A 146 PHE HD2 . 19654 1 1724 . 1 1 146 146 PHE HE1 H 1 7.435 0.02 . . . . . A 146 PHE HE1 . 19654 1 1725 . 1 1 146 146 PHE HE2 H 1 7.435 0.02 . . . . . A 146 PHE HE2 . 19654 1 1726 . 1 1 146 146 PHE HZ H 1 6.672 0.02 . . . . . A 146 PHE HZ . 19654 1 1727 . 1 1 146 146 PHE CA C 13 60.349 0.5 . . . . . A 146 PHE CA . 19654 1 1728 . 1 1 146 146 PHE CB C 13 38.607 0.5 . . . . . A 146 PHE CB . 19654 1 1729 . 1 1 146 146 PHE CD2 C 13 131.951 0.5 . . . . . A 146 PHE CD2 . 19654 1 1730 . 1 1 146 146 PHE CE2 C 13 130.245 0.5 . . . . . A 146 PHE CE2 . 19654 1 1731 . 1 1 146 146 PHE CZ C 13 127.898 0.5 . . . . . A 146 PHE CZ . 19654 1 1732 . 1 1 146 146 PHE N N 15 124.053 0.5 . . . . . A 146 PHE N . 19654 1 1733 . 1 1 147 147 VAL H H 1 7.700 0.02 . . . . . A 147 VAL H . 19654 1 1734 . 1 1 147 147 VAL HA H 1 3.298 0.02 . . . . . A 147 VAL HA . 19654 1 1735 . 1 1 147 147 VAL HB H 1 2.309 0.02 . . . . . A 147 VAL HB . 19654 1 1736 . 1 1 147 147 VAL HG11 H 1 0.974 0.02 . . . . . A 147 VAL HG11 . 19654 1 1737 . 1 1 147 147 VAL HG12 H 1 0.974 0.02 . . . . . A 147 VAL HG12 . 19654 1 1738 . 1 1 147 147 VAL HG13 H 1 0.974 0.02 . . . . . A 147 VAL HG13 . 19654 1 1739 . 1 1 147 147 VAL HG21 H 1 1.273 0.02 . . . . . A 147 VAL HG21 . 19654 1 1740 . 1 1 147 147 VAL HG22 H 1 1.273 0.02 . . . . . A 147 VAL HG22 . 19654 1 1741 . 1 1 147 147 VAL HG23 H 1 1.273 0.02 . . . . . A 147 VAL HG23 . 19654 1 1742 . 1 1 147 147 VAL CA C 13 66.080 0.5 . . . . . A 147 VAL CA . 19654 1 1743 . 1 1 147 147 VAL CB C 13 31.904 0.5 . . . . . A 147 VAL CB . 19654 1 1744 . 1 1 147 147 VAL CG1 C 13 21.673 0.5 . . . . . A 147 VAL CG1 . 19654 1 1745 . 1 1 147 147 VAL CG2 C 13 23.011 0.5 . . . . . A 147 VAL CG2 . 19654 1 1746 . 1 1 147 147 VAL N N 15 116.525 0.5 . . . . . A 147 VAL N . 19654 1 1747 . 1 1 148 148 GLU H H 1 7.801 0.02 . . . . . A 148 GLU H . 19654 1 1748 . 1 1 148 148 GLU HA H 1 3.985 0.02 . . . . . A 148 GLU HA . 19654 1 1749 . 1 1 148 148 GLU HB2 H 1 2.058 0.02 . . . . . A 148 GLU HB2 . 19654 1 1750 . 1 1 148 148 GLU HB3 H 1 2.058 0.02 . . . . . A 148 GLU HB3 . 19654 1 1751 . 1 1 148 148 GLU HG2 H 1 2.387 0.02 . . . . . A 148 GLU HG2 . 19654 1 1752 . 1 1 148 148 GLU HG3 H 1 2.231 0.02 . . . . . A 148 GLU HG3 . 19654 1 1753 . 1 1 148 148 GLU CA C 13 58.933 0.5 . . . . . A 148 GLU CA . 19654 1 1754 . 1 1 148 148 GLU CB C 13 29.535 0.5 . . . . . A 148 GLU CB . 19654 1 1755 . 1 1 148 148 GLU CG C 13 36.011 0.5 . . . . . A 148 GLU CG . 19654 1 1756 . 1 1 148 148 GLU N N 15 118.404 0.5 . . . . . A 148 GLU N . 19654 1 1757 . 1 1 149 149 PHE H H 1 8.358 0.02 . . . . . A 149 PHE H . 19654 1 1758 . 1 1 149 149 PHE HA H 1 3.970 0.02 . . . . . A 149 PHE HA . 19654 1 1759 . 1 1 149 149 PHE HB2 H 1 3.016 0.02 . . . . . A 149 PHE HB2 . 19654 1 1760 . 1 1 149 149 PHE HB3 H 1 2.311 0.02 . . . . . A 149 PHE HB3 . 19654 1 1761 . 1 1 149 149 PHE HD1 H 1 6.181 0.02 . . . . . A 149 PHE HD1 . 19654 1 1762 . 1 1 149 149 PHE HD2 H 1 6.181 0.02 . . . . . A 149 PHE HD2 . 19654 1 1763 . 1 1 149 149 PHE HE1 H 1 7.151 0.02 . . . . . A 149 PHE HE1 . 19654 1 1764 . 1 1 149 149 PHE HE2 H 1 7.151 0.02 . . . . . A 149 PHE HE2 . 19654 1 1765 . 1 1 149 149 PHE HZ H 1 7.272 0.02 . . . . . A 149 PHE HZ . 19654 1 1766 . 1 1 149 149 PHE CA C 13 61.341 0.5 . . . . . A 149 PHE CA . 19654 1 1767 . 1 1 149 149 PHE CB C 13 39.011 0.5 . . . . . A 149 PHE CB . 19654 1 1768 . 1 1 149 149 PHE CD2 C 13 131.443 0.5 . . . . . A 149 PHE CD2 . 19654 1 1769 . 1 1 149 149 PHE CE2 C 13 131.307 0.5 . . . . . A 149 PHE CE2 . 19654 1 1770 . 1 1 149 149 PHE CZ C 13 129.463 0.5 . . . . . A 149 PHE CZ . 19654 1 1771 . 1 1 149 149 PHE N N 15 120.305 0.5 . . . . . A 149 PHE N . 19654 1 1772 . 1 1 150 150 PHE H H 1 6.927 0.02 . . . . . A 150 PHE H . 19654 1 1773 . 1 1 150 150 PHE HA H 1 4.255 0.02 . . . . . A 150 PHE HA . 19654 1 1774 . 1 1 150 150 PHE HB2 H 1 2.205 0.02 . . . . . A 150 PHE HB2 . 19654 1 1775 . 1 1 150 150 PHE HB3 H 1 3.069 0.02 . . . . . A 150 PHE HB3 . 19654 1 1776 . 1 1 150 150 PHE HD1 H 1 6.854 0.02 . . . . . A 150 PHE HD1 . 19654 1 1777 . 1 1 150 150 PHE HD2 H 1 6.854 0.02 . . . . . A 150 PHE HD2 . 19654 1 1778 . 1 1 150 150 PHE HE1 H 1 7.252 0.02 . . . . . A 150 PHE HE1 . 19654 1 1779 . 1 1 150 150 PHE HE2 H 1 7.252 0.02 . . . . . A 150 PHE HE2 . 19654 1 1780 . 1 1 150 150 PHE HZ H 1 7.213 0.02 . . . . . A 150 PHE HZ . 19654 1 1781 . 1 1 150 150 PHE CA C 13 59.075 0.5 . . . . . A 150 PHE CA . 19654 1 1782 . 1 1 150 150 PHE CB C 13 39.487 0.5 . . . . . A 150 PHE CB . 19654 1 1783 . 1 1 150 150 PHE CD2 C 13 131.895 0.5 . . . . . A 150 PHE CD2 . 19654 1 1784 . 1 1 150 150 PHE CE2 C 13 131.633 0.5 . . . . . A 150 PHE CE2 . 19654 1 1785 . 1 1 150 150 PHE CZ C 13 129.115 0.5 . . . . . A 150 PHE CZ . 19654 1 1786 . 1 1 150 150 PHE N N 15 112.582 0.5 . . . . . A 150 PHE N . 19654 1 1787 . 1 1 151 151 HIS H H 1 7.483 0.02 . . . . . A 151 HIS H . 19654 1 1788 . 1 1 151 151 HIS HA H 1 4.370 0.02 . . . . . A 151 HIS HA . 19654 1 1789 . 1 1 151 151 HIS HB2 H 1 3.242 0.02 . . . . . A 151 HIS HB2 . 19654 1 1790 . 1 1 151 151 HIS HB3 H 1 3.126 0.02 . . . . . A 151 HIS HB3 . 19654 1 1791 . 1 1 151 151 HIS HD2 H 1 7.057 0.02 . . . . . A 151 HIS HD2 . 19654 1 1792 . 1 1 151 151 HIS CA C 13 56.788 0.5 . . . . . A 151 HIS CA . 19654 1 1793 . 1 1 151 151 HIS CB C 13 28.827 0.5 . . . . . A 151 HIS CB . 19654 1 1794 . 1 1 151 151 HIS CD2 C 13 120.456 0.5 . . . . . A 151 HIS CD2 . 19654 1 1795 . 1 1 151 151 HIS CE1 C 13 136.456 0.5 . . . . . A 151 HIS CE1 . 19654 1 1796 . 1 1 151 151 HIS N N 15 118.966 0.5 . . . . . A 151 HIS N . 19654 1 1797 . 1 1 152 152 VAL H H 1 8.103 0.02 . . . . . A 152 VAL H . 19654 1 1798 . 1 1 152 152 VAL HA H 1 3.950 0.02 . . . . . A 152 VAL HA . 19654 1 1799 . 1 1 152 152 VAL HB H 1 1.969 0.02 . . . . . A 152 VAL HB . 19654 1 1800 . 1 1 152 152 VAL HG11 H 1 0.835 0.02 . . . . . A 152 VAL HG11 . 19654 1 1801 . 1 1 152 152 VAL HG12 H 1 0.835 0.02 . . . . . A 152 VAL HG12 . 19654 1 1802 . 1 1 152 152 VAL HG13 H 1 0.835 0.02 . . . . . A 152 VAL HG13 . 19654 1 1803 . 1 1 152 152 VAL HG21 H 1 0.821 0.02 . . . . . A 152 VAL HG21 . 19654 1 1804 . 1 1 152 152 VAL HG22 H 1 0.821 0.02 . . . . . A 152 VAL HG22 . 19654 1 1805 . 1 1 152 152 VAL HG23 H 1 0.821 0.02 . . . . . A 152 VAL HG23 . 19654 1 1806 . 1 1 152 152 VAL CA C 13 62.110 0.5 . . . . . A 152 VAL CA . 19654 1 1807 . 1 1 152 152 VAL CB C 13 32.593 0.5 . . . . . A 152 VAL CB . 19654 1 1808 . 1 1 152 152 VAL CG1 C 13 21.031 0.5 . . . . . A 152 VAL CG1 . 19654 1 1809 . 1 1 152 152 VAL CG2 C 13 20.098 0.5 . . . . . A 152 VAL CG2 . 19654 1 1810 . 1 1 152 152 VAL N N 15 120.499 0.5 . . . . . A 152 VAL N . 19654 1 1811 . 1 1 153 153 GLU H H 1 8.446 0.02 . . . . . A 153 GLU H . 19654 1 1812 . 1 1 153 153 GLU HA H 1 4.162 0.02 . . . . . A 153 GLU HA . 19654 1 1813 . 1 1 153 153 GLU HB2 H 1 1.954 0.02 . . . . . A 153 GLU HB2 . 19654 1 1814 . 1 1 153 153 GLU HB3 H 1 1.837 0.02 . . . . . A 153 GLU HB3 . 19654 1 1815 . 1 1 153 153 GLU HG2 H 1 2.194 0.02 . . . . . A 153 GLU HG2 . 19654 1 1816 . 1 1 153 153 GLU HG3 H 1 2.169 0.02 . . . . . A 153 GLU HG3 . 19654 1 1817 . 1 1 153 153 GLU CA C 13 56.433 0.5 . . . . . A 153 GLU CA . 19654 1 1818 . 1 1 153 153 GLU CB C 13 30.101 0.5 . . . . . A 153 GLU CB . 19654 1 1819 . 1 1 153 153 GLU CG C 13 36.000 0.5 . . . . . A 153 GLU CG . 19654 1 1820 . 1 1 153 153 GLU N N 15 123.580 0.5 . . . . . A 153 GLU N . 19654 1 1821 . 1 1 154 154 ASP H H 1 8.325 0.02 . . . . . A 154 ASP H . 19654 1 1822 . 1 1 154 154 ASP HA H 1 4.565 0.02 . . . . . A 154 ASP HA . 19654 1 1823 . 1 1 154 154 ASP HB2 H 1 2.698 0.02 . . . . . A 154 ASP HB2 . 19654 1 1824 . 1 1 154 154 ASP HB3 H 1 2.592 0.02 . . . . . A 154 ASP HB3 . 19654 1 1825 . 1 1 154 154 ASP CA C 13 54.106 0.5 . . . . . A 154 ASP CA . 19654 1 1826 . 1 1 154 154 ASP CB C 13 40.836 0.5 . . . . . A 154 ASP CB . 19654 1 1827 . 1 1 154 154 ASP N N 15 120.964 0.5 . . . . . A 154 ASP N . 19654 1 1828 . 1 1 155 155 LEU H H 1 8.210 0.02 . . . . . A 155 LEU H . 19654 1 1829 . 1 1 155 155 LEU HA H 1 4.230 0.02 . . . . . A 155 LEU HA . 19654 1 1830 . 1 1 155 155 LEU HB2 H 1 1.532 0.02 . . . . . A 155 LEU HB2 . 19654 1 1831 . 1 1 155 155 LEU HB3 H 1 1.638 0.02 . . . . . A 155 LEU HB3 . 19654 1 1832 . 1 1 155 155 LEU HG H 1 1.578 0.02 . . . . . A 155 LEU HG . 19654 1 1833 . 1 1 155 155 LEU HD11 H 1 0.847 0.02 . . . . . A 155 LEU HD11 . 19654 1 1834 . 1 1 155 155 LEU HD12 H 1 0.847 0.02 . . . . . A 155 LEU HD12 . 19654 1 1835 . 1 1 155 155 LEU HD13 H 1 0.847 0.02 . . . . . A 155 LEU HD13 . 19654 1 1836 . 1 1 155 155 LEU HD21 H 1 0.788 0.02 . . . . . A 155 LEU HD21 . 19654 1 1837 . 1 1 155 155 LEU HD22 H 1 0.788 0.02 . . . . . A 155 LEU HD22 . 19654 1 1838 . 1 1 155 155 LEU HD23 H 1 0.788 0.02 . . . . . A 155 LEU HD23 . 19654 1 1839 . 1 1 155 155 LEU CA C 13 55.340 0.5 . . . . . A 155 LEU CA . 19654 1 1840 . 1 1 155 155 LEU CB C 13 42.094 0.5 . . . . . A 155 LEU CB . 19654 1 1841 . 1 1 155 155 LEU CG C 13 26.739 0.5 . . . . . A 155 LEU CG . 19654 1 1842 . 1 1 155 155 LEU CD1 C 13 24.835 0.5 . . . . . A 155 LEU CD1 . 19654 1 1843 . 1 1 155 155 LEU CD2 C 13 23.000 0.5 . . . . . A 155 LEU CD2 . 19654 1 1844 . 1 1 155 155 LEU N N 15 122.311 0.5 . . . . . A 155 LEU N . 19654 1 1845 . 1 1 156 156 GLU H H 1 8.396 0.02 . . . . . A 156 GLU H . 19654 1 1846 . 1 1 156 156 GLU HA H 1 4.218 0.02 . . . . . A 156 GLU HA . 19654 1 1847 . 1 1 156 156 GLU HB2 H 1 2.054 0.02 . . . . . A 156 GLU HB2 . 19654 1 1848 . 1 1 156 156 GLU HB3 H 1 1.945 0.02 . . . . . A 156 GLU HB3 . 19654 1 1849 . 1 1 156 156 GLU HG2 H 1 2.221 0.02 . . . . . A 156 GLU HG2 . 19654 1 1850 . 1 1 156 156 GLU HG3 H 1 2.221 0.02 . . . . . A 156 GLU HG3 . 19654 1 1851 . 1 1 156 156 GLU CA C 13 56.831 0.5 . . . . . A 156 GLU CA . 19654 1 1852 . 1 1 156 156 GLU CB C 13 29.930 0.5 . . . . . A 156 GLU CB . 19654 1 1853 . 1 1 156 156 GLU CG C 13 36.025 0.5 . . . . . A 156 GLU CG . 19654 1 1854 . 1 1 156 156 GLU N N 15 120.023 0.5 . . . . . A 156 GLU N . 19654 1 1855 . 1 1 157 157 GLY H H 1 8.323 0.02 . . . . . A 157 GLY H . 19654 1 1856 . 1 1 157 157 GLY HA2 H 1 3.906 0.02 . . . . . A 157 GLY HA2 . 19654 1 1857 . 1 1 157 157 GLY HA3 H 1 3.906 0.02 . . . . . A 157 GLY HA3 . 19654 1 1858 . 1 1 157 157 GLY CA C 13 45.327 0.5 . . . . . A 157 GLY CA . 19654 1 1859 . 1 1 157 157 GLY N N 15 109.371 0.5 . . . . . A 157 GLY N . 19654 1 1860 . 1 1 158 158 GLY H H 1 8.226 0.02 . . . . . A 158 GLY H . 19654 1 1861 . 1 1 158 158 GLY HA2 H 1 3.847 0.02 . . . . . A 158 GLY HA2 . 19654 1 1862 . 1 1 158 158 GLY HA3 H 1 3.847 0.02 . . . . . A 158 GLY HA3 . 19654 1 1863 . 1 1 158 158 GLY CA C 13 45.061 0.5 . . . . . A 158 GLY CA . 19654 1 1864 . 1 1 158 158 GLY N N 15 108.074 0.5 . . . . . A 158 GLY N . 19654 1 1865 . 1 1 159 159 HIS H H 1 8.210 0.02 . . . . . A 159 HIS H . 19654 1 1866 . 1 1 159 159 HIS HA H 1 4.551 0.02 . . . . . A 159 HIS HA . 19654 1 1867 . 1 1 159 159 HIS HB2 H 1 3.060 0.02 . . . . . A 159 HIS HB2 . 19654 1 1868 . 1 1 159 159 HIS HB3 H 1 2.959 0.02 . . . . . A 159 HIS HB3 . 19654 1 1869 . 1 1 159 159 HIS HD2 H 1 6.973 0.02 . . . . . A 159 HIS HD2 . 19654 1 1870 . 1 1 159 159 HIS CA C 13 55.600 0.5 . . . . . A 159 HIS CA . 19654 1 1871 . 1 1 159 159 HIS CB C 13 29.800 0.5 . . . . . A 159 HIS CB . 19654 1 1872 . 1 1 159 159 HIS CD2 C 13 119.600 0.5 . . . . . A 159 HIS CD2 . 19654 1 1873 . 1 1 159 159 HIS N N 15 117.875 0.5 . . . . . A 159 HIS N . 19654 1 1874 . 1 1 161 161 HIS H H 1 8.162 0.02 . . . . . A 161 HIS H . 19654 1 1875 . 1 1 161 161 HIS HA H 1 4.585 0.02 . . . . . A 161 HIS HA . 19654 1 1876 . 1 1 161 161 HIS N N 15 125.094 0.5 . . . . . A 161 HIS N . 19654 1 stop_ save_